data_17840 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17840 _Entry.PDB_ID 2LHD 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 17840 _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 THR N N 2 123.900 123.900 120.254 3.646 17840 2 1 1 . 1 1 2 2 THR HA H 2 4.311 4.311 4.593 -0.282 17840 3 1 1 . 1 1 2 2 THR C C 2 172.130 172.130 173.342 -1.212 17840 4 1 1 . 1 1 2 2 THR CA C 2 63.855 63.855 62.110 1.745 17840 5 1 1 . 1 1 2 2 THR CB C 2 68.688 68.688 69.046 -0.358 17840 6 1 1 . 1 1 2 2 THR H H 2 8.670 8.670 8.512 0.158 17840 7 1 1 . 1 1 3 3 TYR N N 3 127.206 127.206 127.192 0.014 17840 8 1 1 . 1 1 3 3 TYR HA H 3 5.361 5.361 4.961 0.400 17840 9 1 1 . 1 1 3 3 TYR C C 3 173.427 173.427 174.420 -0.993 17840 10 1 1 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.502 0.452 17840 11 1 1 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.142 0.966 17840 12 1 1 . 1 1 3 3 TYR H H 3 8.657 8.657 9.040 -0.383 17840 13 1 1 . 1 1 4 4 LYS N N 4 120.377 120.377 124.407 -4.030 17840 14 1 1 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.562 -0.161 17840 15 1 1 . 1 1 4 4 LYS C C 4 172.296 172.296 174.575 -2.279 17840 16 1 1 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.299 0.361 17840 17 1 1 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.652 -0.702 17840 18 1 1 . 1 1 4 4 LYS H H 4 8.599 8.599 8.363 0.236 17840 19 1 1 . 1 1 5 5 LEU N N 5 126.484 126.484 121.374 5.110 17840 20 1 1 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.489 -0.466 17840 21 1 1 . 1 1 5 5 LEU C C 5 174.359 174.359 174.856 -0.497 17840 22 1 1 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.317 -0.780 17840 23 1 1 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.097 -1.935 17840 24 1 1 . 1 1 5 5 LEU H H 5 8.781 8.781 8.167 0.614 17840 25 1 1 . 1 1 6 6 ILE N N 6 126.235 126.235 122.918 3.317 17840 26 1 1 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.954 -0.586 17840 27 1 1 . 1 1 6 6 ILE C C 6 173.982 173.982 174.786 -0.804 17840 28 1 1 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.776 0.687 17840 29 1 1 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.627 -0.911 17840 30 1 1 . 1 1 6 6 ILE H H 6 8.895 8.895 8.641 0.254 17840 31 1 1 . 1 1 7 7 LEU N N 7 125.986 125.986 127.457 -1.471 17840 32 1 1 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.641 -0.244 17840 33 1 1 . 1 1 7 7 LEU C C 7 173.915 173.915 174.911 -0.996 17840 34 1 1 . 1 1 7 7 LEU CA C 7 53.629 53.629 54.028 -0.399 17840 35 1 1 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.530 -2.218 17840 36 1 1 . 1 1 7 7 LEU H H 7 8.627 8.627 7.973 0.654 17840 37 1 1 . 1 1 8 8 ASN N N 8 125.244 125.244 120.977 4.267 17840 38 1 1 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.997 0.073 17840 39 1 1 . 1 1 8 8 ASN C C 8 173.960 173.960 173.409 0.551 17840 40 1 1 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.816 -1.002 17840 41 1 1 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.254 -2.392 17840 42 1 1 . 1 1 8 8 ASN H H 8 8.762 8.762 8.879 -0.117 17840 43 1 1 . 1 1 9 9 LEU N N 9 121.294 121.294 124.176 -2.882 17840 44 1 1 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.419 0.214 17840 45 1 1 . 1 1 9 9 LEU C C 9 176.821 176.821 176.799 0.022 17840 46 1 1 . 1 1 9 9 LEU CA C 9 53.418 53.418 56.276 -2.858 17840 47 1 1 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.633 -2.211 17840 48 1 1 . 1 1 9 9 LEU H H 9 7.409 7.409 8.384 -0.975 17840 49 1 1 . 1 1 10 10 LYS N N 10 120.567 120.567 119.528 1.039 17840 50 1 1 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.333 -0.397 17840 51 1 1 . 1 1 10 10 LYS C C 10 179.217 179.217 176.747 2.470 17840 52 1 1 . 1 1 10 10 LYS CA C 10 59.712 59.712 55.616 4.096 17840 53 1 1 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.631 -0.825 17840 54 1 1 . 1 1 10 10 LYS H H 10 8.935 8.935 8.027 0.908 17840 55 1 1 . 1 1 11 11 GLN N N 11 112.875 112.875 117.760 -4.885 17840 56 1 1 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.040 0.271 17840 57 1 1 . 1 1 11 11 GLN C C 11 174.891 174.891 175.595 -0.704 17840 58 1 1 . 1 1 11 11 GLN CA C 11 55.966 55.966 57.432 -1.466 17840 59 1 1 . 1 1 11 11 GLN CB C 11 29.158 29.158 28.680 0.478 17840 60 1 1 . 1 1 11 11 GLN H H 11 8.296 8.296 8.433 -0.137 17840 61 1 1 . 1 1 12 12 ALA N N 12 119.661 119.661 120.622 -0.961 17840 62 1 1 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.505 -0.180 17840 63 1 1 . 1 1 12 12 ALA C C 12 173.760 173.760 176.340 -2.580 17840 64 1 1 . 1 1 12 12 ALA CA C 12 52.509 52.509 50.892 1.617 17840 65 1 1 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.883 0.529 17840 66 1 1 . 1 1 12 12 ALA H H 12 6.849 6.849 7.495 -0.646 17840 67 1 1 . 1 1 13 13 LYS N N 13 119.342 119.342 119.604 -0.262 17840 68 1 1 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.817 0.454 17840 69 1 1 . 1 1 13 13 LYS C C 13 175.801 175.801 175.660 0.141 17840 70 1 1 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.379 -0.244 17840 71 1 1 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.107 0.585 17840 72 1 1 . 1 1 13 13 LYS H H 13 8.050 8.050 8.269 -0.219 17840 73 1 1 . 1 1 14 14 GLU N N 14 123.266 123.266 120.309 2.957 17840 74 1 1 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.461 0.278 17840 75 1 1 . 1 1 14 14 GLU C C 14 173.316 173.316 174.989 -1.673 17840 76 1 1 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.932 -1.090 17840 77 1 1 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.415 1.945 17840 78 1 1 . 1 1 14 14 GLU H H 14 8.327 8.327 8.975 -0.648 17840 79 1 1 . 1 1 15 15 GLU N N 15 119.898 119.898 119.758 0.140 17840 80 1 1 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.493 0.016 17840 81 1 1 . 1 1 15 15 GLU C C 15 174.270 174.270 175.276 -1.006 17840 82 1 1 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.721 -1.066 17840 83 1 1 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.922 1.109 17840 84 1 1 . 1 1 15 15 GLU H H 15 8.386 8.386 8.479 -0.093 17840 85 1 1 . 1 1 16 16 ALA N N 16 125.415 125.415 125.962 -0.547 17840 86 1 1 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.754 0.120 17840 87 1 1 . 1 1 16 16 ALA C C 16 174.403 174.403 174.941 -0.538 17840 88 1 1 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.820 -0.456 17840 89 1 1 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.645 0.851 17840 90 1 1 . 1 1 16 16 ALA H H 16 8.911 8.911 8.201 0.710 17840 91 1 1 . 1 1 17 17 ILE N N 17 117.476 117.476 117.847 -0.371 17840 92 1 1 . 1 1 17 17 ILE HA H 17 5.468 5.468 4.907 0.561 17840 93 1 1 . 1 1 17 17 ILE C C 17 175.712 175.712 174.795 0.917 17840 94 1 1 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.148 -0.275 17840 95 1 1 . 1 1 17 17 ILE CB C 17 42.163 42.163 39.689 2.474 17840 96 1 1 . 1 1 17 17 ILE H H 17 8.329 8.329 8.332 -0.003 17840 97 1 1 . 1 1 18 18 LYS N N 18 125.884 125.884 127.554 -1.670 17840 98 1 1 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.638 -0.218 17840 99 1 1 . 1 1 18 18 LYS C C 18 172.873 172.873 174.903 -2.030 17840 100 1 1 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.071 0.048 17840 101 1 1 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.270 1.960 17840 102 1 1 . 1 1 18 18 LYS H H 18 9.050 9.050 9.206 -0.156 17840 103 1 1 . 1 1 19 19 GLU N N 19 128.105 128.105 126.143 1.962 17840 104 1 1 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.033 -0.060 17840 105 1 1 . 1 1 19 19 GLU C C 19 175.135 175.135 174.841 0.294 17840 106 1 1 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.401 -0.001 17840 107 1 1 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.861 -0.545 17840 108 1 1 . 1 1 19 19 GLU H H 19 8.241 8.241 8.571 -0.330 17840 109 1 1 . 1 1 20 20 LEU N N 20 127.206 127.206 125.852 1.354 17840 110 1 1 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.563 -0.348 17840 111 1 1 . 1 1 20 20 LEU C C 20 177.531 177.531 177.674 -0.143 17840 112 1 1 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.580 -0.374 17840 113 1 1 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.079 2.605 17840 114 1 1 . 1 1 20 20 LEU H H 20 8.563 8.563 8.269 0.294 17840 115 1 1 . 1 1 21 21 VAL N N 21 116.204 116.204 119.639 -3.435 17840 116 1 1 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.868 0.146 17840 117 1 1 . 1 1 21 21 VAL C C 21 175.002 175.002 175.956 -0.954 17840 118 1 1 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.814 0.520 17840 119 1 1 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.108 -0.181 17840 120 1 1 . 1 1 21 21 VAL H H 21 8.094 8.094 8.589 -0.495 17840 121 1 1 . 1 1 22 22 ASP N N 22 114.375 114.375 116.191 -1.816 17840 122 1 1 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.764 0.074 17840 123 1 1 . 1 1 22 22 ASP C C 22 174.536 174.536 175.460 -0.924 17840 124 1 1 . 1 1 22 22 ASP CA C 22 53.147 53.147 52.843 0.304 17840 125 1 1 . 1 1 22 22 ASP CB C 22 42.692 42.692 42.693 -0.000 17840 126 1 1 . 1 1 22 22 ASP H H 22 6.862 6.862 7.892 -1.030 17840 127 1 1 . 1 1 23 23 ALA N N 23 121.084 121.084 120.060 1.024 17840 128 1 1 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.526 -1.526 17840 129 1 1 . 1 1 23 23 ALA C C 23 180.082 180.082 177.989 2.093 17840 130 1 1 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.561 2.282 17840 131 1 1 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.527 -1.907 17840 132 1 1 . 1 1 23 23 ALA H H 23 8.389 8.389 8.319 0.070 17840 133 1 1 . 1 1 24 24 GLY N N 24 108.035 108.035 108.712 -0.677 17840 134 1 1 . 1 1 24 24 GLY C C 24 176.910 176.910 175.286 1.624 17840 135 1 1 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.752 0.281 17840 136 1 1 . 1 1 24 24 GLY H H 24 8.391 8.391 8.201 0.190 17840 137 1 1 . 1 1 25 25 THR N N 25 120.237 120.237 118.360 1.877 17840 138 1 1 . 1 1 25 25 THR HA H 25 4.000 4.000 4.052 -0.052 17840 139 1 1 . 1 1 25 25 THR C C 25 176.555 176.555 176.614 -0.059 17840 140 1 1 . 1 1 25 25 THR CA C 25 66.900 66.900 66.493 0.407 17840 141 1 1 . 1 1 25 25 THR CB C 25 68.095 68.095 68.793 -0.698 17840 142 1 1 . 1 1 25 25 THR H H 25 8.071 8.071 8.122 -0.051 17840 143 1 1 . 1 1 26 26 ALA N N 26 124.685 124.685 122.418 2.267 17840 144 1 1 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.143 -0.682 17840 145 1 1 . 1 1 26 26 ALA C C 26 175.734 175.734 179.182 -3.448 17840 146 1 1 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.343 -1.500 17840 147 1 1 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.617 -0.215 17840 148 1 1 . 1 1 26 26 ALA H H 26 7.444 7.444 8.077 -0.633 17840 149 1 1 . 1 1 27 27 GLU N N 27 119.278 119.278 118.463 0.815 17840 150 1 1 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.098 -1.301 17840 151 1 1 . 1 1 27 27 GLU C C 27 177.131 177.131 178.690 -1.559 17840 152 1 1 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.382 0.755 17840 153 1 1 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.339 -0.112 17840 154 1 1 . 1 1 27 27 GLU H H 27 8.121 8.121 7.725 0.396 17840 155 1 1 . 1 1 28 28 LYS N N 28 115.377 115.377 119.721 -4.344 17840 156 1 1 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.149 -0.509 17840 157 1 1 . 1 1 28 28 LYS C C 28 178.640 178.640 178.915 -0.275 17840 158 1 1 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.440 0.411 17840 159 1 1 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.639 -0.233 17840 160 1 1 . 1 1 28 28 LYS H H 28 6.847 6.847 8.345 -1.498 17840 161 1 1 . 1 1 29 29 TYR N N 29 119.713 119.713 120.954 -1.241 17840 162 1 1 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.182 -0.073 17840 163 1 1 . 1 1 29 29 TYR C C 29 177.619 177.619 178.265 -0.646 17840 164 1 1 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.664 -0.392 17840 165 1 1 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.372 -0.398 17840 166 1 1 . 1 1 29 29 TYR H H 29 7.358 7.358 7.919 -0.561 17840 167 1 1 . 1 1 30 30 PHE N N 30 117.565 117.565 117.658 -0.093 17840 168 1 1 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.330 0.177 17840 169 1 1 . 1 1 30 30 PHE C C 30 178.507 178.507 178.105 0.402 17840 170 1 1 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.676 -2.114 17840 171 1 1 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.566 -0.943 17840 172 1 1 . 1 1 30 30 PHE H H 30 8.601 8.601 8.249 0.352 17840 173 1 1 . 1 1 31 31 LYS N N 31 121.534 121.534 120.800 0.734 17840 174 1 1 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.152 -0.134 17840 175 1 1 . 1 1 31 31 LYS C C 31 178.751 178.751 179.296 -0.545 17840 176 1 1 . 1 1 31 31 LYS CA C 31 59.959 59.959 58.676 1.282 17840 177 1 1 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.071 -0.367 17840 178 1 1 . 1 1 31 31 LYS H H 31 8.310 8.310 7.662 0.648 17840 179 1 1 . 1 1 32 32 LEU N N 32 118.368 118.368 121.518 -3.150 17840 180 1 1 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.066 0.060 17840 181 1 1 . 1 1 32 32 LEU C C 32 180.636 180.636 178.855 1.781 17840 182 1 1 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.318 -0.228 17840 183 1 1 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.076 -0.779 17840 184 1 1 . 1 1 32 32 LEU H H 32 6.890 6.890 8.213 -1.323 17840 185 1 1 . 1 1 33 33 ILE N N 33 118.866 118.866 119.375 -0.509 17840 186 1 1 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.695 0.002 17840 187 1 1 . 1 1 33 33 ILE C C 33 178.485 178.485 177.390 1.095 17840 188 1 1 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.483 0.401 17840 189 1 1 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.625 -0.111 17840 190 1 1 . 1 1 33 33 ILE H H 33 6.985 6.985 7.957 -0.972 17840 191 1 1 . 1 1 34 34 ALA N N 34 121.160 121.160 122.309 -1.149 17840 192 1 1 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.797 0.142 17840 193 1 1 . 1 1 34 34 ALA C C 34 179.372 179.372 179.273 0.099 17840 194 1 1 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.462 -0.229 17840 195 1 1 . 1 1 34 34 ALA CB C 34 18.674 18.674 17.977 0.697 17840 196 1 1 . 1 1 34 34 ALA H H 34 8.312 8.312 8.330 -0.018 17840 197 1 1 . 1 1 35 35 ASN N N 35 116.166 116.166 116.177 -0.011 17840 198 1 1 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.594 -0.008 17840 199 1 1 . 1 1 35 35 ASN C C 35 173.871 173.871 176.690 -2.819 17840 200 1 1 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.892 -0.196 17840 201 1 1 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.737 -0.606 17840 202 1 1 . 1 1 35 35 ASN H H 35 8.222 8.222 8.136 0.086 17840 203 1 1 . 1 1 36 36 ALA N N 36 121.269 121.269 121.162 0.107 17840 204 1 1 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.306 -0.026 17840 205 1 1 . 1 1 36 36 ALA C C 36 178.507 178.507 178.770 -0.263 17840 206 1 1 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.851 0.232 17840 207 1 1 . 1 1 36 36 ALA CB C 36 18.911 18.911 18.866 0.045 17840 208 1 1 . 1 1 36 36 ALA H H 36 7.397 7.397 7.558 -0.161 17840 209 1 1 . 1 1 37 37 LYS N N 37 116.114 116.114 118.842 -2.728 17840 210 1 1 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.199 0.107 17840 211 1 1 . 1 1 37 37 LYS C C 37 175.401 175.401 177.455 -2.054 17840 212 1 1 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.858 -1.595 17840 213 1 1 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.161 0.770 17840 214 1 1 . 1 1 37 37 LYS H H 37 7.371 7.371 8.276 -0.905 17840 215 1 1 . 1 1 38 38 THR N N 38 113.187 113.187 111.698 1.489 17840 216 1 1 . 1 1 38 38 THR HA H 38 4.300 4.300 4.461 -0.161 17840 217 1 1 . 1 1 38 38 THR C C 38 173.139 173.139 172.701 0.438 17840 218 1 1 . 1 1 38 38 THR CA C 38 61.530 61.530 61.440 0.090 17840 219 1 1 . 1 1 38 38 THR CB C 38 69.468 69.468 69.683 -0.215 17840 220 1 1 . 1 1 38 38 THR H H 38 7.812 7.812 7.712 0.100 17840 221 1 1 . 1 1 39 39 VAL N N 39 122.490 122.490 120.320 2.170 17840 222 1 1 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.577 -0.325 17840 223 1 1 . 1 1 39 39 VAL C C 39 174.869 174.869 174.050 0.819 17840 224 1 1 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.068 1.442 17840 225 1 1 . 1 1 39 39 VAL CB C 39 32.661 32.661 34.308 -1.647 17840 226 1 1 . 1 1 39 39 VAL H H 39 8.091 8.091 7.936 0.155 17840 227 1 1 . 1 1 40 40 GLU N N 40 124.998 124.998 125.299 -0.301 17840 228 1 1 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.450 0.094 17840 229 1 1 . 1 1 40 40 GLU C C 40 174.913 174.913 176.856 -1.943 17840 230 1 1 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.907 -1.510 17840 231 1 1 . 1 1 40 40 GLU CB C 40 30.497 30.497 31.042 -0.545 17840 232 1 1 . 1 1 40 40 GLU H H 40 8.479 8.479 8.885 -0.406 17840 233 1 1 . 1 1 41 41 GLY N N 41 107.295 107.295 109.538 -2.243 17840 234 1 1 . 1 1 41 41 GLY C C 41 174.558 174.558 174.115 0.443 17840 235 1 1 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.983 0.319 17840 236 1 1 . 1 1 41 41 GLY H H 41 7.868 7.868 8.059 -0.191 17840 237 1 1 . 1 1 42 42 VAL N N 42 120.789 120.789 120.433 0.356 17840 238 1 1 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.467 -0.083 17840 239 1 1 . 1 1 42 42 VAL C C 42 176.399 176.399 174.646 1.753 17840 240 1 1 . 1 1 42 42 VAL CA C 42 62.467 62.467 61.031 1.437 17840 241 1 1 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.252 -0.859 17840 242 1 1 . 1 1 42 42 VAL H H 42 8.087 8.087 7.906 0.181 17840 243 1 1 . 1 1 43 43 TRP N N 43 130.892 130.892 127.022 3.870 17840 244 1 1 . 1 1 43 43 TRP HA H 43 5.248 5.248 4.948 0.300 17840 245 1 1 . 1 1 43 43 TRP C C 43 176.821 176.821 176.195 0.626 17840 246 1 1 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.922 1.105 17840 247 1 1 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.837 -1.062 17840 248 1 1 . 1 1 43 43 TRP H H 43 9.224 9.224 8.543 0.681 17840 249 1 1 . 1 1 44 44 THR N N 44 114.739 114.739 117.206 -2.467 17840 250 1 1 . 1 1 44 44 THR HA H 44 4.802 4.802 4.839 -0.037 17840 251 1 1 . 1 1 44 44 THR C C 44 171.963 171.963 172.463 -0.500 17840 252 1 1 . 1 1 44 44 THR CA C 44 60.996 60.996 60.598 0.398 17840 253 1 1 . 1 1 44 44 THR CB C 44 72.649 72.649 71.916 0.733 17840 254 1 1 . 1 1 44 44 THR H H 44 9.093 9.093 9.293 -0.200 17840 255 1 1 . 1 1 45 45 TYR N N 45 121.068 121.068 123.361 -2.293 17840 256 1 1 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.990 0.014 17840 257 1 1 . 1 1 45 45 TYR C C 45 173.472 173.472 173.838 -0.366 17840 258 1 1 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.319 -0.235 17840 259 1 1 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.630 -0.396 17840 260 1 1 . 1 1 45 45 TYR H H 45 8.474 8.474 8.637 -0.163 17840 261 1 1 . 1 1 46 46 LYS N N 46 128.497 128.497 127.251 1.246 17840 262 1 1 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.516 -0.183 17840 263 1 1 . 1 1 46 46 LYS C C 46 174.847 174.847 175.856 -1.009 17840 264 1 1 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.376 -0.404 17840 265 1 1 . 1 1 46 46 LYS CB C 46 33.847 33.847 33.465 0.382 17840 266 1 1 . 1 1 46 46 LYS H H 46 7.144 7.144 8.256 -1.112 17840 267 1 1 . 1 1 47 47 ASP N N 47 126.400 126.400 124.925 1.475 17840 268 1 1 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.726 -0.722 17840 269 1 1 . 1 1 47 47 ASP C C 47 179.191 179.191 176.473 2.718 17840 270 1 1 . 1 1 47 47 ASP CA C 47 57.428 57.428 55.012 2.416 17840 271 1 1 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.465 1.823 17840 272 1 1 . 1 1 47 47 ASP H H 47 8.513 8.513 9.089 -0.576 17840 273 1 1 . 1 1 48 48 GLU N N 48 118.126 118.126 119.763 -1.637 17840 274 1 1 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.302 -0.229 17840 275 1 1 . 1 1 48 48 GLU C C 48 176.976 176.976 176.115 0.861 17840 276 1 1 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.319 1.720 17840 277 1 1 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.535 -1.878 17840 278 1 1 . 1 1 48 48 GLU H H 48 9.618 9.618 8.546 1.072 17840 279 1 1 . 1 1 49 49 ILE N N 49 105.335 105.335 112.881 -7.546 17840 280 1 1 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.327 0.292 17840 281 1 1 . 1 1 49 49 ILE C C 49 175.290 175.290 174.461 0.829 17840 282 1 1 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.252 0.137 17840 283 1 1 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.558 -0.217 17840 284 1 1 . 1 1 49 49 ILE H H 49 6.187 6.187 7.651 -1.464 17840 285 1 1 . 1 1 50 50 LYS N N 50 124.144 124.144 118.484 5.660 17840 286 1 1 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.630 0.543 17840 287 1 1 . 1 1 50 50 LYS C C 50 174.159 174.159 174.639 -0.480 17840 288 1 1 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.837 -0.921 17840 289 1 1 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.784 0.565 17840 290 1 1 . 1 1 50 50 LYS H H 50 7.659 7.659 7.939 -0.280 17840 291 1 1 . 1 1 51 51 THR N N 51 109.166 109.166 111.446 -2.280 17840 292 1 1 . 1 1 51 51 THR HA H 51 5.650 5.650 5.076 0.574 17840 293 1 1 . 1 1 51 51 THR C C 51 173.405 173.405 172.999 0.406 17840 294 1 1 . 1 1 51 51 THR CA C 51 62.262 62.262 60.687 1.575 17840 295 1 1 . 1 1 51 51 THR CB C 51 73.271 73.271 71.340 1.931 17840 296 1 1 . 1 1 51 51 THR H H 51 6.843 6.843 7.434 -0.591 17840 297 1 1 . 1 1 52 52 PHE N N 52 130.917 130.917 127.718 3.199 17840 298 1 1 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.948 0.611 17840 299 1 1 . 1 1 52 52 PHE C C 52 173.627 173.627 174.657 -1.030 17840 300 1 1 . 1 1 52 52 PHE CA C 52 57.270 57.270 57.210 0.060 17840 301 1 1 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.956 0.199 17840 302 1 1 . 1 1 52 52 PHE H H 52 10.025 10.025 8.852 1.173 17840 303 1 1 . 1 1 53 53 THR N N 53 117.627 117.627 117.157 0.470 17840 304 1 1 . 1 1 53 53 THR HA H 53 5.217 5.217 4.723 0.494 17840 305 1 1 . 1 1 53 53 THR C C 53 171.586 171.586 172.715 -1.129 17840 306 1 1 . 1 1 53 53 THR CA C 53 61.724 61.724 60.935 0.789 17840 307 1 1 . 1 1 53 53 THR CB C 53 70.567 70.567 71.585 -1.018 17840 308 1 1 . 1 1 53 53 THR H H 53 8.927 8.927 9.543 -0.616 17840 309 1 1 . 1 1 54 54 VAL N N 54 124.587 124.587 125.778 -1.191 17840 310 1 1 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.079 0.348 17840 311 1 1 . 1 1 54 54 VAL C C 54 172.873 172.873 175.501 -2.628 17840 312 1 1 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.922 -1.303 17840 313 1 1 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.852 0.810 17840 314 1 1 . 1 1 54 54 VAL H H 54 8.302 8.302 8.072 0.230 17840 315 1 1 . 1 1 55 55 THR N N 55 124.116 124.116 123.808 0.308 17840 316 1 1 . 1 1 55 55 THR HA H 55 4.769 4.769 4.974 -0.205 17840 317 1 1 . 1 1 55 55 THR C C 55 173.294 173.294 174.134 -0.840 17840 318 1 1 . 1 1 55 55 THR CA C 55 61.698 61.698 61.325 0.373 17840 319 1 1 . 1 1 55 55 THR CB C 55 71.382 71.382 70.220 1.162 17840 320 1 1 . 1 1 55 55 THR H H 55 8.229 8.229 8.330 -0.101 17840 321 1 2 . 1 1 2 2 THR N N 2 123.900 123.900 121.373 2.527 17840 322 1 2 . 1 1 2 2 THR HA H 2 4.311 4.311 4.473 -0.162 17840 323 1 2 . 1 1 2 2 THR C C 2 172.130 172.130 173.387 -1.257 17840 324 1 2 . 1 1 2 2 THR CA C 2 63.855 63.855 62.360 1.495 17840 325 1 2 . 1 1 2 2 THR CB C 2 68.688 68.688 69.471 -0.783 17840 326 1 2 . 1 1 2 2 THR H H 2 8.670 8.670 8.262 0.408 17840 327 1 2 . 1 1 3 3 TYR N N 3 127.206 127.206 126.686 0.520 17840 328 1 2 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.156 0.205 17840 329 1 2 . 1 1 3 3 TYR C C 3 173.427 173.427 174.237 -0.810 17840 330 1 2 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.470 0.483 17840 331 1 2 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.218 0.890 17840 332 1 2 . 1 1 3 3 TYR H H 3 8.657 8.657 8.761 -0.104 17840 333 1 2 . 1 1 4 4 LYS N N 4 120.377 120.377 124.190 -3.813 17840 334 1 2 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.661 -0.260 17840 335 1 2 . 1 1 4 4 LYS C C 4 172.296 172.296 174.550 -2.254 17840 336 1 2 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.225 0.435 17840 337 1 2 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.956 -1.006 17840 338 1 2 . 1 1 4 4 LYS H H 4 8.599 8.599 8.457 0.142 17840 339 1 2 . 1 1 5 5 LEU N N 5 126.484 126.484 121.565 4.919 17840 340 1 2 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.523 -0.500 17840 341 1 2 . 1 1 5 5 LEU C C 5 174.359 174.359 174.673 -0.314 17840 342 1 2 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.124 -0.588 17840 343 1 2 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.258 -2.096 17840 344 1 2 . 1 1 5 5 LEU H H 5 8.781 8.781 8.639 0.142 17840 345 1 2 . 1 1 6 6 ILE N N 6 126.235 126.235 122.350 3.885 17840 346 1 2 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.647 -0.279 17840 347 1 2 . 1 1 6 6 ILE C C 6 173.982 173.982 174.540 -0.558 17840 348 1 2 . 1 1 6 6 ILE CA C 6 60.462 60.462 58.715 1.747 17840 349 1 2 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.561 -0.845 17840 350 1 2 . 1 1 6 6 ILE H H 6 8.895 8.895 8.420 0.475 17840 351 1 2 . 1 1 7 7 LEU N N 7 125.986 125.986 127.847 -1.861 17840 352 1 2 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.685 -0.288 17840 353 1 2 . 1 1 7 7 LEU C C 7 173.915 173.915 175.634 -1.719 17840 354 1 2 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.849 -0.220 17840 355 1 2 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.252 -1.940 17840 356 1 2 . 1 1 7 7 LEU H H 7 8.627 8.627 7.701 0.926 17840 357 1 2 . 1 1 8 8 ASN N N 8 125.244 125.244 123.674 1.570 17840 358 1 2 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.432 -0.362 17840 359 1 2 . 1 1 8 8 ASN C C 8 173.960 173.960 174.443 -0.483 17840 360 1 2 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.200 -0.388 17840 361 1 2 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.150 -2.288 17840 362 1 2 . 1 1 8 8 ASN H H 8 8.762 8.762 8.582 0.180 17840 363 1 2 . 1 1 9 9 LEU N N 9 121.294 121.294 125.113 -3.819 17840 364 1 2 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.825 -0.192 17840 365 1 2 . 1 1 9 9 LEU C C 9 176.821 176.821 176.283 0.538 17840 366 1 2 . 1 1 9 9 LEU CA C 9 53.418 53.418 52.305 1.113 17840 367 1 2 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.546 -2.124 17840 368 1 2 . 1 1 9 9 LEU H H 9 7.409 7.409 8.580 -1.171 17840 369 1 2 . 1 1 10 10 LYS N N 10 120.567 120.567 118.571 1.996 17840 370 1 2 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.969 -0.033 17840 371 1 2 . 1 1 10 10 LYS C C 10 179.217 179.217 178.715 0.502 17840 372 1 2 . 1 1 10 10 LYS CA C 10 59.712 59.712 58.749 0.963 17840 373 1 2 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.142 -0.336 17840 374 1 2 . 1 1 10 10 LYS H H 10 8.935 8.935 8.441 0.494 17840 375 1 2 . 1 1 11 11 GLN N N 11 112.875 112.875 117.588 -4.713 17840 376 1 2 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.179 0.132 17840 377 1 2 . 1 1 11 11 GLN C C 11 174.891 174.891 175.917 -1.026 17840 378 1 2 . 1 1 11 11 GLN CA C 11 55.966 55.966 57.523 -1.557 17840 379 1 2 . 1 1 11 11 GLN CB C 11 29.158 29.158 28.970 0.188 17840 380 1 2 . 1 1 11 11 GLN H H 11 8.296 8.296 8.098 0.198 17840 381 1 2 . 1 1 12 12 ALA N N 12 119.661 119.661 116.385 3.276 17840 382 1 2 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.470 -0.145 17840 383 1 2 . 1 1 12 12 ALA C C 12 173.760 173.760 174.963 -1.203 17840 384 1 2 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.479 1.030 17840 385 1 2 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.708 0.704 17840 386 1 2 . 1 1 12 12 ALA H H 12 6.849 6.849 7.908 -1.059 17840 387 1 2 . 1 1 13 13 LYS N N 13 119.342 119.342 119.359 -0.017 17840 388 1 2 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.075 0.196 17840 389 1 2 . 1 1 13 13 LYS C C 13 175.801 175.801 175.349 0.452 17840 390 1 2 . 1 1 13 13 LYS CA C 13 55.135 55.135 54.497 0.638 17840 391 1 2 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.823 -0.131 17840 392 1 2 . 1 1 13 13 LYS H H 13 8.050 8.050 8.186 -0.136 17840 393 1 2 . 1 1 14 14 GLU N N 14 123.266 123.266 122.829 0.437 17840 394 1 2 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.526 0.213 17840 395 1 2 . 1 1 14 14 GLU C C 14 173.316 173.316 174.798 -1.482 17840 396 1 2 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.708 -0.866 17840 397 1 2 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.484 1.875 17840 398 1 2 . 1 1 14 14 GLU H H 14 8.327 8.327 8.896 -0.569 17840 399 1 2 . 1 1 15 15 GLU N N 15 119.898 119.898 119.770 0.128 17840 400 1 2 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.396 0.113 17840 401 1 2 . 1 1 15 15 GLU C C 15 174.270 174.270 174.873 -0.603 17840 402 1 2 . 1 1 15 15 GLU CA C 15 54.655 54.655 54.946 -0.291 17840 403 1 2 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.747 0.284 17840 404 1 2 . 1 1 15 15 GLU H H 15 8.386 8.386 8.466 -0.080 17840 405 1 2 . 1 1 16 16 ALA N N 16 125.415 125.415 123.695 1.720 17840 406 1 2 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.666 0.208 17840 407 1 2 . 1 1 16 16 ALA C C 16 174.403 174.403 174.681 -0.278 17840 408 1 2 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.246 -0.882 17840 409 1 2 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.209 1.287 17840 410 1 2 . 1 1 16 16 ALA H H 16 8.911 8.911 8.222 0.689 17840 411 1 2 . 1 1 17 17 ILE N N 17 117.476 117.476 119.762 -2.286 17840 412 1 2 . 1 1 17 17 ILE HA H 17 5.468 5.468 4.663 0.805 17840 413 1 2 . 1 1 17 17 ILE C C 17 175.712 175.712 174.733 0.979 17840 414 1 2 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.220 -0.347 17840 415 1 2 . 1 1 17 17 ILE CB C 17 42.163 42.163 38.950 3.213 17840 416 1 2 . 1 1 17 17 ILE H H 17 8.329 8.329 8.371 -0.042 17840 417 1 2 . 1 1 18 18 LYS N N 18 125.884 125.884 128.313 -2.429 17840 418 1 2 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.666 -0.246 17840 419 1 2 . 1 1 18 18 LYS C C 18 172.873 172.873 174.910 -2.037 17840 420 1 2 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.115 0.004 17840 421 1 2 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.230 2.000 17840 422 1 2 . 1 1 18 18 LYS H H 18 9.050 9.050 9.173 -0.123 17840 423 1 2 . 1 1 19 19 GLU N N 19 128.105 128.105 125.603 2.502 17840 424 1 2 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.756 0.217 17840 425 1 2 . 1 1 19 19 GLU C C 19 175.135 175.135 174.798 0.337 17840 426 1 2 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.423 -0.023 17840 427 1 2 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.591 -0.275 17840 428 1 2 . 1 1 19 19 GLU H H 19 8.241 8.241 8.578 -0.337 17840 429 1 2 . 1 1 20 20 LEU N N 20 127.206 127.206 125.684 1.522 17840 430 1 2 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.617 -0.402 17840 431 1 2 . 1 1 20 20 LEU C C 20 177.531 177.531 176.105 1.426 17840 432 1 2 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.858 -0.652 17840 433 1 2 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.854 1.830 17840 434 1 2 . 1 1 20 20 LEU H H 20 8.563 8.563 8.257 0.306 17840 435 1 2 . 1 1 21 21 VAL N N 21 116.204 116.204 119.866 -3.662 17840 436 1 2 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.210 -0.196 17840 437 1 2 . 1 1 21 21 VAL C C 21 175.002 175.002 175.160 -0.158 17840 438 1 2 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.183 3.151 17840 439 1 2 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.006 -0.079 17840 440 1 2 . 1 1 21 21 VAL H H 21 8.094 8.094 8.194 -0.100 17840 441 1 2 . 1 1 22 22 ASP N N 22 114.375 114.375 119.618 -5.243 17840 442 1 2 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.669 0.169 17840 443 1 2 . 1 1 22 22 ASP C C 22 174.536 174.536 175.307 -0.771 17840 444 1 2 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.240 -1.093 17840 445 1 2 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.528 -0.835 17840 446 1 2 . 1 1 22 22 ASP H H 22 6.862 6.862 7.529 -0.667 17840 447 1 2 . 1 1 23 23 ALA N N 23 121.084 121.084 125.735 -4.651 17840 448 1 2 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.252 -1.252 17840 449 1 2 . 1 1 23 23 ALA C C 23 180.082 180.082 178.274 1.808 17840 450 1 2 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.715 1.128 17840 451 1 2 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.254 -1.634 17840 452 1 2 . 1 1 23 23 ALA H H 23 8.389 8.389 8.567 -0.178 17840 453 1 2 . 1 1 24 24 GLY N N 24 108.035 108.035 107.155 0.880 17840 454 1 2 . 1 1 24 24 GLY C C 24 176.910 176.910 175.847 1.063 17840 455 1 2 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.676 0.357 17840 456 1 2 . 1 1 24 24 GLY H H 24 8.391 8.391 8.374 0.017 17840 457 1 2 . 1 1 25 25 THR N N 25 120.237 120.237 119.706 0.531 17840 458 1 2 . 1 1 25 25 THR HA H 25 4.000 4.000 3.870 0.130 17840 459 1 2 . 1 1 25 25 THR C C 25 176.555 176.555 176.423 0.132 17840 460 1 2 . 1 1 25 25 THR CA C 25 66.900 66.900 67.248 -0.348 17840 461 1 2 . 1 1 25 25 THR CB C 25 68.095 68.095 68.670 -0.575 17840 462 1 2 . 1 1 25 25 THR H H 25 8.071 8.071 7.680 0.391 17840 463 1 2 . 1 1 26 26 ALA N N 26 124.685 124.685 122.314 2.371 17840 464 1 2 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.909 -0.448 17840 465 1 2 . 1 1 26 26 ALA C C 26 175.734 175.734 178.898 -3.164 17840 466 1 2 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.722 -1.879 17840 467 1 2 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.759 -0.357 17840 468 1 2 . 1 1 26 26 ALA H H 26 7.444 7.444 7.517 -0.073 17840 469 1 2 . 1 1 27 27 GLU N N 27 119.278 119.278 118.492 0.786 17840 470 1 2 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.042 -1.245 17840 471 1 2 . 1 1 27 27 GLU C C 27 177.131 177.131 178.873 -1.742 17840 472 1 2 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.410 0.728 17840 473 1 2 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.350 -0.123 17840 474 1 2 . 1 1 27 27 GLU H H 27 8.121 8.121 7.571 0.550 17840 475 1 2 . 1 1 28 28 LYS N N 28 115.377 115.377 119.354 -3.977 17840 476 1 2 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.146 -0.506 17840 477 1 2 . 1 1 28 28 LYS C C 28 178.640 178.640 178.917 -0.277 17840 478 1 2 . 1 1 28 28 LYS CA C 28 59.851 59.851 58.978 0.873 17840 479 1 2 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.440 -0.034 17840 480 1 2 . 1 1 28 28 LYS H H 28 6.847 6.847 8.182 -1.335 17840 481 1 2 . 1 1 29 29 TYR N N 29 119.713 119.713 121.446 -1.733 17840 482 1 2 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.159 -0.050 17840 483 1 2 . 1 1 29 29 TYR C C 29 177.619 177.619 178.127 -0.508 17840 484 1 2 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.959 -0.686 17840 485 1 2 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.422 -0.448 17840 486 1 2 . 1 1 29 29 TYR H H 29 7.358 7.358 8.183 -0.825 17840 487 1 2 . 1 1 30 30 PHE N N 30 117.565 117.565 117.236 0.329 17840 488 1 2 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.393 0.114 17840 489 1 2 . 1 1 30 30 PHE C C 30 178.507 178.507 178.131 0.376 17840 490 1 2 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.518 -1.956 17840 491 1 2 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.525 -0.902 17840 492 1 2 . 1 1 30 30 PHE H H 30 8.601 8.601 8.375 0.226 17840 493 1 2 . 1 1 31 31 LYS N N 31 121.534 121.534 120.727 0.807 17840 494 1 2 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.234 -0.216 17840 495 1 2 . 1 1 31 31 LYS C C 31 178.751 178.751 179.385 -0.634 17840 496 1 2 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.562 0.397 17840 497 1 2 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.305 -0.601 17840 498 1 2 . 1 1 31 31 LYS H H 31 8.310 8.310 7.644 0.666 17840 499 1 2 . 1 1 32 32 LEU N N 32 118.368 118.368 121.349 -2.981 17840 500 1 2 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.037 0.089 17840 501 1 2 . 1 1 32 32 LEU C C 32 180.636 180.636 178.706 1.930 17840 502 1 2 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.305 -0.215 17840 503 1 2 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.115 -0.818 17840 504 1 2 . 1 1 32 32 LEU H H 32 6.890 6.890 8.032 -1.142 17840 505 1 2 . 1 1 33 33 ILE N N 33 118.866 118.866 119.740 -0.874 17840 506 1 2 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.640 0.057 17840 507 1 2 . 1 1 33 33 ILE C C 33 178.485 178.485 177.445 1.040 17840 508 1 2 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.616 0.268 17840 509 1 2 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.727 -0.214 17840 510 1 2 . 1 1 33 33 ILE H H 33 6.985 6.985 7.798 -0.813 17840 511 1 2 . 1 1 34 34 ALA N N 34 121.160 121.160 121.726 -0.566 17840 512 1 2 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.829 0.110 17840 513 1 2 . 1 1 34 34 ALA C C 34 179.372 179.372 179.352 0.020 17840 514 1 2 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.573 -0.340 17840 515 1 2 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.071 0.603 17840 516 1 2 . 1 1 34 34 ALA H H 34 8.312 8.312 8.288 0.024 17840 517 1 2 . 1 1 35 35 ASN N N 35 116.166 116.166 115.231 0.935 17840 518 1 2 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.554 0.032 17840 519 1 2 . 1 1 35 35 ASN C C 35 173.871 173.871 176.432 -2.561 17840 520 1 2 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.757 -0.062 17840 521 1 2 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.244 -0.113 17840 522 1 2 . 1 1 35 35 ASN H H 35 8.222 8.222 7.930 0.292 17840 523 1 2 . 1 1 36 36 ALA N N 36 121.269 121.269 120.811 0.458 17840 524 1 2 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.347 -0.067 17840 525 1 2 . 1 1 36 36 ALA C C 36 178.507 178.507 178.542 -0.035 17840 526 1 2 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.557 0.526 17840 527 1 2 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.176 -0.265 17840 528 1 2 . 1 1 36 36 ALA H H 36 7.397 7.397 7.355 0.042 17840 529 1 2 . 1 1 37 37 LYS N N 37 116.114 116.114 118.879 -2.765 17840 530 1 2 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.248 0.058 17840 531 1 2 . 1 1 37 37 LYS C C 37 175.401 175.401 177.321 -1.920 17840 532 1 2 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.917 -1.655 17840 533 1 2 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.469 0.462 17840 534 1 2 . 1 1 37 37 LYS H H 37 7.371 7.371 8.110 -0.739 17840 535 1 2 . 1 1 38 38 THR N N 38 113.187 113.187 113.271 -0.084 17840 536 1 2 . 1 1 38 38 THR HA H 38 4.300 4.300 4.500 -0.200 17840 537 1 2 . 1 1 38 38 THR C C 38 173.139 173.139 173.073 0.066 17840 538 1 2 . 1 1 38 38 THR CA C 38 61.530 61.530 61.971 -0.441 17840 539 1 2 . 1 1 38 38 THR CB C 38 69.468 69.468 71.223 -1.755 17840 540 1 2 . 1 1 38 38 THR H H 38 7.812 7.812 7.954 -0.142 17840 541 1 2 . 1 1 39 39 VAL N N 39 122.490 122.490 119.152 3.338 17840 542 1 2 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.564 -0.312 17840 543 1 2 . 1 1 39 39 VAL C C 39 174.869 174.869 174.607 0.262 17840 544 1 2 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.780 0.730 17840 545 1 2 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.796 -0.135 17840 546 1 2 . 1 1 39 39 VAL H H 39 8.091 8.091 8.219 -0.128 17840 547 1 2 . 1 1 40 40 GLU N N 40 124.998 124.998 125.963 -0.965 17840 548 1 2 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.605 -0.061 17840 549 1 2 . 1 1 40 40 GLU C C 40 174.913 174.913 176.139 -1.226 17840 550 1 2 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.208 -0.811 17840 551 1 2 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.932 -0.435 17840 552 1 2 . 1 1 40 40 GLU H H 40 8.479 8.479 8.538 -0.059 17840 553 1 2 . 1 1 41 41 GLY N N 41 107.295 107.295 110.909 -3.614 17840 554 1 2 . 1 1 41 41 GLY C C 41 174.558 174.558 172.504 2.054 17840 555 1 2 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.474 -0.173 17840 556 1 2 . 1 1 41 41 GLY H H 41 7.868 7.868 8.091 -0.223 17840 557 1 2 . 1 1 42 42 VAL N N 42 120.789 120.789 122.889 -2.100 17840 558 1 2 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.630 -0.246 17840 559 1 2 . 1 1 42 42 VAL C C 42 176.399 176.399 174.107 2.292 17840 560 1 2 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.046 2.421 17840 561 1 2 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.644 -1.251 17840 562 1 2 . 1 1 42 42 VAL H H 42 8.087 8.087 8.073 0.014 17840 563 1 2 . 1 1 43 43 TRP N N 43 130.892 130.892 127.272 3.620 17840 564 1 2 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.022 0.226 17840 565 1 2 . 1 1 43 43 TRP C C 43 176.821 176.821 176.130 0.691 17840 566 1 2 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.069 1.957 17840 567 1 2 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.337 -0.562 17840 568 1 2 . 1 1 43 43 TRP H H 43 9.224 9.224 8.530 0.694 17840 569 1 2 . 1 1 44 44 THR N N 44 114.739 114.739 117.063 -2.324 17840 570 1 2 . 1 1 44 44 THR HA H 44 4.802 4.802 4.721 0.081 17840 571 1 2 . 1 1 44 44 THR C C 44 171.963 171.963 172.806 -0.843 17840 572 1 2 . 1 1 44 44 THR CA C 44 60.996 60.996 60.249 0.747 17840 573 1 2 . 1 1 44 44 THR CB C 44 72.649 72.649 70.863 1.786 17840 574 1 2 . 1 1 44 44 THR H H 44 9.093 9.093 8.374 0.719 17840 575 1 2 . 1 1 45 45 TYR N N 45 121.068 121.068 121.989 -0.921 17840 576 1 2 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.945 0.059 17840 577 1 2 . 1 1 45 45 TYR C C 45 173.472 173.472 174.044 -0.572 17840 578 1 2 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.173 -0.089 17840 579 1 2 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.344 -0.110 17840 580 1 2 . 1 1 45 45 TYR H H 45 8.474 8.474 8.427 0.047 17840 581 1 2 . 1 1 46 46 LYS N N 46 128.497 128.497 127.667 0.830 17840 582 1 2 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.401 -0.068 17840 583 1 2 . 1 1 46 46 LYS C C 46 174.847 174.847 175.379 -0.532 17840 584 1 2 . 1 1 46 46 LYS CA C 46 53.972 53.972 55.107 -1.135 17840 585 1 2 . 1 1 46 46 LYS CB C 46 33.847 33.847 33.052 0.795 17840 586 1 2 . 1 1 46 46 LYS H H 46 7.144 7.144 8.185 -1.041 17840 587 1 2 . 1 1 47 47 ASP N N 47 126.400 126.400 124.829 1.571 17840 588 1 2 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.425 -0.421 17840 589 1 2 . 1 1 47 47 ASP C C 47 179.191 179.191 176.157 3.034 17840 590 1 2 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.995 2.433 17840 591 1 2 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.159 1.129 17840 592 1 2 . 1 1 47 47 ASP H H 47 8.513 8.513 8.723 -0.210 17840 593 1 2 . 1 1 48 48 GLU N N 48 118.126 118.126 117.944 0.182 17840 594 1 2 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.163 -0.090 17840 595 1 2 . 1 1 48 48 GLU C C 48 176.976 176.976 176.549 0.427 17840 596 1 2 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.003 2.037 17840 597 1 2 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.161 -1.504 17840 598 1 2 . 1 1 48 48 GLU H H 48 9.618 9.618 8.242 1.376 17840 599 1 2 . 1 1 49 49 ILE N N 49 105.335 105.335 110.207 -4.872 17840 600 1 2 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.345 0.274 17840 601 1 2 . 1 1 49 49 ILE C C 49 175.290 175.290 174.036 1.254 17840 602 1 2 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.111 0.278 17840 603 1 2 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.733 -0.392 17840 604 1 2 . 1 1 49 49 ILE H H 49 6.187 6.187 7.184 -0.997 17840 605 1 2 . 1 1 50 50 LYS N N 50 124.144 124.144 118.453 5.691 17840 606 1 2 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.569 0.604 17840 607 1 2 . 1 1 50 50 LYS C C 50 174.159 174.159 174.285 -0.126 17840 608 1 2 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.902 -0.986 17840 609 1 2 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.510 0.839 17840 610 1 2 . 1 1 50 50 LYS H H 50 7.659 7.659 7.636 0.023 17840 611 1 2 . 1 1 51 51 THR N N 51 109.166 109.166 116.839 -7.673 17840 612 1 2 . 1 1 51 51 THR HA H 51 5.650 5.650 5.075 0.575 17840 613 1 2 . 1 1 51 51 THR C C 51 173.405 173.405 173.052 0.353 17840 614 1 2 . 1 1 51 51 THR CA C 51 62.262 62.262 61.924 0.338 17840 615 1 2 . 1 1 51 51 THR CB C 51 73.271 73.271 71.157 2.114 17840 616 1 2 . 1 1 51 51 THR H H 51 6.843 6.843 7.544 -0.701 17840 617 1 2 . 1 1 52 52 PHE N N 52 130.917 130.917 128.865 2.052 17840 618 1 2 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.044 0.515 17840 619 1 2 . 1 1 52 52 PHE C C 52 173.627 173.627 174.726 -1.099 17840 620 1 2 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.907 0.363 17840 621 1 2 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.709 0.445 17840 622 1 2 . 1 1 52 52 PHE H H 52 10.025 10.025 8.799 1.226 17840 623 1 2 . 1 1 53 53 THR N N 53 117.627 117.627 115.015 2.612 17840 624 1 2 . 1 1 53 53 THR HA H 53 5.217 5.217 4.966 0.251 17840 625 1 2 . 1 1 53 53 THR C C 53 171.586 171.586 172.841 -1.255 17840 626 1 2 . 1 1 53 53 THR CA C 53 61.724 61.724 60.334 1.390 17840 627 1 2 . 1 1 53 53 THR CB C 53 70.567 70.567 72.263 -1.696 17840 628 1 2 . 1 1 53 53 THR H H 53 8.927 8.927 9.133 -0.206 17840 629 1 2 . 1 1 54 54 VAL N N 54 124.587 124.587 123.391 1.196 17840 630 1 2 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.053 0.374 17840 631 1 2 . 1 1 54 54 VAL C C 54 172.873 172.873 175.325 -2.452 17840 632 1 2 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.676 -1.057 17840 633 1 2 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.213 0.449 17840 634 1 2 . 1 1 54 54 VAL H H 54 8.302 8.302 8.323 -0.021 17840 635 1 2 . 1 1 55 55 THR N N 55 124.116 124.116 122.729 1.387 17840 636 1 2 . 1 1 55 55 THR HA H 55 4.769 4.769 4.926 -0.157 17840 637 1 2 . 1 1 55 55 THR C C 55 173.294 173.294 174.928 -1.634 17840 638 1 2 . 1 1 55 55 THR CA C 55 61.698 61.698 60.770 0.928 17840 639 1 2 . 1 1 55 55 THR CB C 55 71.382 71.382 70.540 0.842 17840 640 1 2 . 1 1 55 55 THR H H 55 8.229 8.229 8.002 0.227 17840 641 1 3 . 1 1 2 2 THR N N 2 123.900 123.900 124.074 -0.174 17840 642 1 3 . 1 1 2 2 THR HA H 2 4.311 4.311 4.403 -0.092 17840 643 1 3 . 1 1 2 2 THR C C 2 172.130 172.130 173.551 -1.421 17840 644 1 3 . 1 1 2 2 THR CA C 2 63.855 63.855 63.264 0.591 17840 645 1 3 . 1 1 2 2 THR CB C 2 68.688 68.688 68.938 -0.250 17840 646 1 3 . 1 1 2 2 THR H H 2 8.670 8.670 8.512 0.158 17840 647 1 3 . 1 1 3 3 TYR N N 3 127.206 127.206 127.802 -0.596 17840 648 1 3 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.251 0.110 17840 649 1 3 . 1 1 3 3 TYR C C 3 173.427 173.427 174.895 -1.468 17840 650 1 3 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.191 0.762 17840 651 1 3 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.434 0.674 17840 652 1 3 . 1 1 3 3 TYR H H 3 8.657 8.657 8.960 -0.303 17840 653 1 3 . 1 1 4 4 LYS N N 4 120.377 120.377 125.027 -4.650 17840 654 1 3 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.335 0.066 17840 655 1 3 . 1 1 4 4 LYS C C 4 172.296 172.296 175.105 -2.809 17840 656 1 3 . 1 1 4 4 LYS CA C 4 54.660 54.660 55.377 -0.717 17840 657 1 3 . 1 1 4 4 LYS CB C 4 35.950 35.950 35.765 0.185 17840 658 1 3 . 1 1 4 4 LYS H H 4 8.599 8.599 8.392 0.207 17840 659 1 3 . 1 1 5 5 LEU N N 5 126.484 126.484 122.767 3.717 17840 660 1 3 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.500 -0.477 17840 661 1 3 . 1 1 5 5 LEU C C 5 174.359 174.359 174.795 -0.436 17840 662 1 3 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.214 -0.677 17840 663 1 3 . 1 1 5 5 LEU CB C 5 44.162 44.162 45.821 -1.659 17840 664 1 3 . 1 1 5 5 LEU H H 5 8.781 8.781 8.779 0.002 17840 665 1 3 . 1 1 6 6 ILE N N 6 126.235 126.235 122.775 3.460 17840 666 1 3 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.755 -0.387 17840 667 1 3 . 1 1 6 6 ILE C C 6 173.982 173.982 174.609 -0.627 17840 668 1 3 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.843 0.619 17840 669 1 3 . 1 1 6 6 ILE CB C 6 38.716 38.716 40.177 -1.461 17840 670 1 3 . 1 1 6 6 ILE H H 6 8.895 8.895 8.533 0.362 17840 671 1 3 . 1 1 7 7 LEU N N 7 125.986 125.986 127.949 -1.963 17840 672 1 3 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.686 -0.289 17840 673 1 3 . 1 1 7 7 LEU C C 7 173.915 173.915 175.435 -1.520 17840 674 1 3 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.746 -0.117 17840 675 1 3 . 1 1 7 7 LEU CB C 7 41.312 41.312 42.992 -1.679 17840 676 1 3 . 1 1 7 7 LEU H H 7 8.627 8.627 7.740 0.887 17840 677 1 3 . 1 1 8 8 ASN N N 8 125.244 125.244 122.428 2.816 17840 678 1 3 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.156 -0.086 17840 679 1 3 . 1 1 8 8 ASN C C 8 173.960 173.960 173.629 0.331 17840 680 1 3 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.426 -0.613 17840 681 1 3 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.306 -2.445 17840 682 1 3 . 1 1 8 8 ASN H H 8 8.762 8.762 8.462 0.300 17840 683 1 3 . 1 1 9 9 LEU N N 9 121.294 121.294 121.013 0.281 17840 684 1 3 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.719 -0.086 17840 685 1 3 . 1 1 9 9 LEU C C 9 176.821 176.821 175.658 1.163 17840 686 1 3 . 1 1 9 9 LEU CA C 9 53.418 53.418 53.276 0.142 17840 687 1 3 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.759 -2.337 17840 688 1 3 . 1 1 9 9 LEU H H 9 7.409 7.409 8.145 -0.736 17840 689 1 3 . 1 1 10 10 LYS N N 10 120.567 120.567 118.308 2.259 17840 690 1 3 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.354 -0.418 17840 691 1 3 . 1 1 10 10 LYS C C 10 179.217 179.217 175.996 3.221 17840 692 1 3 . 1 1 10 10 LYS CA C 10 59.712 59.712 57.038 2.674 17840 693 1 3 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.733 -0.928 17840 694 1 3 . 1 1 10 10 LYS H H 10 8.935 8.935 8.319 0.616 17840 695 1 3 . 1 1 11 11 GLN N N 11 112.875 112.875 117.406 -4.531 17840 696 1 3 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.428 -0.117 17840 697 1 3 . 1 1 11 11 GLN C C 11 174.891 174.891 174.187 0.704 17840 698 1 3 . 1 1 11 11 GLN CA C 11 55.966 55.966 56.343 -0.377 17840 699 1 3 . 1 1 11 11 GLN CB C 11 29.158 29.158 31.266 -2.108 17840 700 1 3 . 1 1 11 11 GLN H H 11 8.296 8.296 7.945 0.351 17840 701 1 3 . 1 1 12 12 ALA N N 12 119.661 119.661 121.185 -1.524 17840 702 1 3 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.404 -0.079 17840 703 1 3 . 1 1 12 12 ALA C C 12 173.760 173.760 175.048 -1.288 17840 704 1 3 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.573 0.936 17840 705 1 3 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.596 0.816 17840 706 1 3 . 1 1 12 12 ALA H H 12 6.849 6.849 7.510 -0.661 17840 707 1 3 . 1 1 13 13 LYS N N 13 119.342 119.342 121.129 -1.787 17840 708 1 3 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.658 0.613 17840 709 1 3 . 1 1 13 13 LYS C C 13 175.801 175.801 175.951 -0.150 17840 710 1 3 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.461 -0.326 17840 711 1 3 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.749 -0.057 17840 712 1 3 . 1 1 13 13 LYS H H 13 8.050 8.050 8.239 -0.189 17840 713 1 3 . 1 1 14 14 GLU N N 14 123.266 123.266 122.299 0.967 17840 714 1 3 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.481 0.258 17840 715 1 3 . 1 1 14 14 GLU C C 14 173.316 173.316 175.447 -2.131 17840 716 1 3 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.072 -0.230 17840 717 1 3 . 1 1 14 14 GLU CB C 14 34.360 34.360 31.991 2.369 17840 718 1 3 . 1 1 14 14 GLU H H 14 8.327 8.327 8.966 -0.639 17840 719 1 3 . 1 1 15 15 GLU N N 15 119.898 119.898 119.699 0.199 17840 720 1 3 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.419 0.090 17840 721 1 3 . 1 1 15 15 GLU C C 15 174.270 174.270 174.955 -0.685 17840 722 1 3 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.605 -0.950 17840 723 1 3 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.599 0.432 17840 724 1 3 . 1 1 15 15 GLU H H 15 8.386 8.386 8.512 -0.126 17840 725 1 3 . 1 1 16 16 ALA N N 16 125.415 125.415 125.692 -0.277 17840 726 1 3 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.557 0.317 17840 727 1 3 . 1 1 16 16 ALA C C 16 174.403 174.403 174.803 -0.400 17840 728 1 3 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.106 -0.743 17840 729 1 3 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.215 1.281 17840 730 1 3 . 1 1 16 16 ALA H H 16 8.911 8.911 8.265 0.646 17840 731 1 3 . 1 1 17 17 ILE N N 17 117.476 117.476 120.484 -3.008 17840 732 1 3 . 1 1 17 17 ILE HA H 17 5.468 5.468 4.937 0.531 17840 733 1 3 . 1 1 17 17 ILE C C 17 175.712 175.712 175.415 0.297 17840 734 1 3 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.538 -0.666 17840 735 1 3 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.209 1.954 17840 736 1 3 . 1 1 17 17 ILE H H 17 8.329 8.329 8.403 -0.074 17840 737 1 3 . 1 1 18 18 LYS N N 18 125.884 125.884 127.683 -1.799 17840 738 1 3 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.780 -0.360 17840 739 1 3 . 1 1 18 18 LYS C C 18 172.873 172.873 174.747 -1.874 17840 740 1 3 . 1 1 18 18 LYS CA C 18 55.119 55.119 54.801 0.318 17840 741 1 3 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.829 1.401 17840 742 1 3 . 1 1 18 18 LYS H H 18 9.050 9.050 9.413 -0.363 17840 743 1 3 . 1 1 19 19 GLU N N 19 128.105 128.105 125.391 2.714 17840 744 1 3 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.956 0.017 17840 745 1 3 . 1 1 19 19 GLU C C 19 175.135 175.135 175.387 -0.252 17840 746 1 3 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.496 -0.096 17840 747 1 3 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.749 -0.433 17840 748 1 3 . 1 1 19 19 GLU H H 19 8.241 8.241 8.638 -0.397 17840 749 1 3 . 1 1 20 20 LEU N N 20 127.206 127.206 126.292 0.914 17840 750 1 3 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.620 -0.405 17840 751 1 3 . 1 1 20 20 LEU C C 20 177.531 177.531 176.532 0.999 17840 752 1 3 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.214 -1.008 17840 753 1 3 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.986 1.698 17840 754 1 3 . 1 1 20 20 LEU H H 20 8.563 8.563 8.313 0.250 17840 755 1 3 . 1 1 21 21 VAL N N 21 116.204 116.204 119.628 -3.424 17840 756 1 3 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.073 -0.059 17840 757 1 3 . 1 1 21 21 VAL C C 21 175.002 175.002 174.355 0.647 17840 758 1 3 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.318 3.017 17840 759 1 3 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.518 -0.591 17840 760 1 3 . 1 1 21 21 VAL H H 21 8.094 8.094 8.462 -0.368 17840 761 1 3 . 1 1 22 22 ASP N N 22 114.375 114.375 118.296 -3.921 17840 762 1 3 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.617 0.221 17840 763 1 3 . 1 1 22 22 ASP C C 22 174.536 174.536 175.247 -0.711 17840 764 1 3 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.371 -1.224 17840 765 1 3 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.297 -0.605 17840 766 1 3 . 1 1 22 22 ASP H H 22 6.862 6.862 7.505 -0.643 17840 767 1 3 . 1 1 23 23 ALA N N 23 121.084 121.084 125.612 -4.528 17840 768 1 3 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.272 -1.272 17840 769 1 3 . 1 1 23 23 ALA C C 23 180.082 180.082 178.273 1.809 17840 770 1 3 . 1 1 23 23 ALA CA C 23 54.843 54.843 54.006 0.837 17840 771 1 3 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.159 -1.539 17840 772 1 3 . 1 1 23 23 ALA H H 23 8.389 8.389 8.655 -0.266 17840 773 1 3 . 1 1 24 24 GLY N N 24 108.035 108.035 107.453 0.582 17840 774 1 3 . 1 1 24 24 GLY C C 24 176.910 176.910 175.629 1.281 17840 775 1 3 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.545 0.488 17840 776 1 3 . 1 1 24 24 GLY H H 24 8.391 8.391 8.757 -0.366 17840 777 1 3 . 1 1 25 25 THR N N 25 120.237 120.237 116.434 3.803 17840 778 1 3 . 1 1 25 25 THR HA H 25 4.000 4.000 3.927 0.073 17840 779 1 3 . 1 1 25 25 THR C C 25 176.555 176.555 176.508 0.047 17840 780 1 3 . 1 1 25 25 THR CA C 25 66.900 66.900 65.912 0.988 17840 781 1 3 . 1 1 25 25 THR CB C 25 68.095 68.095 68.640 -0.545 17840 782 1 3 . 1 1 25 25 THR H H 25 8.071 8.071 7.694 0.377 17840 783 1 3 . 1 1 26 26 ALA N N 26 124.685 124.685 123.200 1.485 17840 784 1 3 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.898 -0.437 17840 785 1 3 . 1 1 26 26 ALA C C 26 175.734 175.734 178.817 -3.083 17840 786 1 3 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.638 -1.795 17840 787 1 3 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.875 -0.473 17840 788 1 3 . 1 1 26 26 ALA H H 26 7.444 7.444 7.713 -0.269 17840 789 1 3 . 1 1 27 27 GLU N N 27 119.278 119.278 117.699 1.579 17840 790 1 3 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.007 -1.210 17840 791 1 3 . 1 1 27 27 GLU C C 27 177.131 177.131 178.769 -1.638 17840 792 1 3 . 1 1 27 27 GLU CA C 27 60.137 60.137 58.565 1.572 17840 793 1 3 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.226 0.001 17840 794 1 3 . 1 1 27 27 GLU H H 27 8.121 8.121 7.382 0.739 17840 795 1 3 . 1 1 28 28 LYS N N 28 115.377 115.377 120.626 -5.249 17840 796 1 3 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.036 -0.396 17840 797 1 3 . 1 1 28 28 LYS C C 28 178.640 178.640 178.907 -0.267 17840 798 1 3 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.474 0.377 17840 799 1 3 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.457 -0.051 17840 800 1 3 . 1 1 28 28 LYS H H 28 6.847 6.847 8.382 -1.535 17840 801 1 3 . 1 1 29 29 TYR N N 29 119.713 119.713 120.578 -0.865 17840 802 1 3 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.155 -0.046 17840 803 1 3 . 1 1 29 29 TYR C C 29 177.619 177.619 178.038 -0.419 17840 804 1 3 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.123 -0.850 17840 805 1 3 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.659 -0.685 17840 806 1 3 . 1 1 29 29 TYR H H 29 7.358 7.358 8.069 -0.711 17840 807 1 3 . 1 1 30 30 PHE N N 30 117.565 117.565 117.080 0.485 17840 808 1 3 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.294 0.213 17840 809 1 3 . 1 1 30 30 PHE C C 30 178.507 178.507 178.272 0.235 17840 810 1 3 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.873 -2.311 17840 811 1 3 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.410 -0.787 17840 812 1 3 . 1 1 30 30 PHE H H 30 8.601 8.601 8.084 0.517 17840 813 1 3 . 1 1 31 31 LYS N N 31 121.534 121.534 120.332 1.202 17840 814 1 3 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.163 -0.145 17840 815 1 3 . 1 1 31 31 LYS C C 31 178.751 178.751 178.830 -0.079 17840 816 1 3 . 1 1 31 31 LYS CA C 31 59.959 59.959 60.001 -0.042 17840 817 1 3 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.339 -0.635 17840 818 1 3 . 1 1 31 31 LYS H H 31 8.310 8.310 7.820 0.490 17840 819 1 3 . 1 1 32 32 LEU N N 32 118.368 118.368 121.366 -2.998 17840 820 1 3 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.967 0.159 17840 821 1 3 . 1 1 32 32 LEU C C 32 180.636 180.636 178.823 1.813 17840 822 1 3 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.384 -0.294 17840 823 1 3 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.606 -0.309 17840 824 1 3 . 1 1 32 32 LEU H H 32 6.890 6.890 8.253 -1.363 17840 825 1 3 . 1 1 33 33 ILE N N 33 118.866 118.866 119.175 -0.309 17840 826 1 3 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.627 0.070 17840 827 1 3 . 1 1 33 33 ILE C C 33 178.485 178.485 177.398 1.087 17840 828 1 3 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.768 0.116 17840 829 1 3 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.624 -0.111 17840 830 1 3 . 1 1 33 33 ILE H H 33 6.985 6.985 7.750 -0.765 17840 831 1 3 . 1 1 34 34 ALA N N 34 121.160 121.160 121.425 -0.265 17840 832 1 3 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.946 -0.007 17840 833 1 3 . 1 1 34 34 ALA C C 34 179.372 179.372 179.486 -0.114 17840 834 1 3 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.134 0.099 17840 835 1 3 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.183 0.491 17840 836 1 3 . 1 1 34 34 ALA H H 34 8.312 8.312 7.704 0.608 17840 837 1 3 . 1 1 35 35 ASN N N 35 116.166 116.166 116.583 -0.417 17840 838 1 3 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.561 0.025 17840 839 1 3 . 1 1 35 35 ASN C C 35 173.871 173.871 176.635 -2.764 17840 840 1 3 . 1 1 35 35 ASN CA C 35 55.695 55.695 56.084 -0.389 17840 841 1 3 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.693 -0.562 17840 842 1 3 . 1 1 35 35 ASN H H 35 8.222 8.222 8.418 -0.196 17840 843 1 3 . 1 1 36 36 ALA N N 36 121.269 121.269 120.377 0.892 17840 844 1 3 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.411 -0.131 17840 845 1 3 . 1 1 36 36 ALA C C 36 178.507 178.507 178.456 0.051 17840 846 1 3 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.368 0.715 17840 847 1 3 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.176 -0.265 17840 848 1 3 . 1 1 36 36 ALA H H 36 7.397 7.397 7.595 -0.198 17840 849 1 3 . 1 1 37 37 LYS N N 37 116.114 116.114 118.751 -2.637 17840 850 1 3 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.225 0.081 17840 851 1 3 . 1 1 37 37 LYS C C 37 175.401 175.401 177.270 -1.869 17840 852 1 3 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.580 -1.317 17840 853 1 3 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.188 0.743 17840 854 1 3 . 1 1 37 37 LYS H H 37 7.371 7.371 8.089 -0.718 17840 855 1 3 . 1 1 38 38 THR N N 38 113.187 113.187 113.935 -0.748 17840 856 1 3 . 1 1 38 38 THR HA H 38 4.300 4.300 4.532 -0.232 17840 857 1 3 . 1 1 38 38 THR C C 38 173.139 173.139 173.098 0.041 17840 858 1 3 . 1 1 38 38 THR CA C 38 61.530 61.530 61.469 0.061 17840 859 1 3 . 1 1 38 38 THR CB C 38 69.468 69.468 70.689 -1.220 17840 860 1 3 . 1 1 38 38 THR H H 38 7.812 7.812 7.933 -0.121 17840 861 1 3 . 1 1 39 39 VAL N N 39 122.490 122.490 119.139 3.351 17840 862 1 3 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.643 -0.391 17840 863 1 3 . 1 1 39 39 VAL C C 39 174.869 174.869 174.528 0.341 17840 864 1 3 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.653 -0.143 17840 865 1 3 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.289 -0.628 17840 866 1 3 . 1 1 39 39 VAL H H 39 8.091 8.091 8.281 -0.190 17840 867 1 3 . 1 1 40 40 GLU N N 40 124.998 124.998 125.398 -0.400 17840 868 1 3 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.383 0.161 17840 869 1 3 . 1 1 40 40 GLU C C 40 174.913 174.913 176.609 -1.696 17840 870 1 3 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.561 -1.164 17840 871 1 3 . 1 1 40 40 GLU CB C 40 30.497 30.497 31.214 -0.717 17840 872 1 3 . 1 1 40 40 GLU H H 40 8.479 8.479 8.932 -0.453 17840 873 1 3 . 1 1 41 41 GLY N N 41 107.295 107.295 109.696 -2.401 17840 874 1 3 . 1 1 41 41 GLY C C 41 174.558 174.558 174.061 0.497 17840 875 1 3 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.006 0.295 17840 876 1 3 . 1 1 41 41 GLY H H 41 7.868 7.868 8.152 -0.284 17840 877 1 3 . 1 1 42 42 VAL N N 42 120.789 120.789 120.167 0.622 17840 878 1 3 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.559 -0.175 17840 879 1 3 . 1 1 42 42 VAL C C 42 176.399 176.399 174.616 1.783 17840 880 1 3 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.614 1.853 17840 881 1 3 . 1 1 42 42 VAL CB C 42 33.393 33.393 35.245 -1.852 17840 882 1 3 . 1 1 42 42 VAL H H 42 8.087 8.087 7.782 0.305 17840 883 1 3 . 1 1 43 43 TRP N N 43 130.892 130.892 126.904 3.988 17840 884 1 3 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.201 0.047 17840 885 1 3 . 1 1 43 43 TRP C C 43 176.821 176.821 176.678 0.143 17840 886 1 3 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.400 1.626 17840 887 1 3 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.135 -0.360 17840 888 1 3 . 1 1 43 43 TRP H H 43 9.224 9.224 8.604 0.620 17840 889 1 3 . 1 1 44 44 THR N N 44 114.739 114.739 120.178 -5.439 17840 890 1 3 . 1 1 44 44 THR HA H 44 4.802 4.802 4.793 0.009 17840 891 1 3 . 1 1 44 44 THR C C 44 171.963 171.963 172.606 -0.643 17840 892 1 3 . 1 1 44 44 THR CA C 44 60.996 60.996 61.080 -0.084 17840 893 1 3 . 1 1 44 44 THR CB C 44 72.649 72.649 71.240 1.409 17840 894 1 3 . 1 1 44 44 THR H H 44 9.093 9.093 8.956 0.137 17840 895 1 3 . 1 1 45 45 TYR N N 45 121.068 121.068 121.481 -0.413 17840 896 1 3 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.051 -0.047 17840 897 1 3 . 1 1 45 45 TYR C C 45 173.472 173.472 174.090 -0.618 17840 898 1 3 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.191 -0.107 17840 899 1 3 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.781 -1.547 17840 900 1 3 . 1 1 45 45 TYR H H 45 8.474 8.474 8.512 -0.038 17840 901 1 3 . 1 1 46 46 LYS N N 46 128.497 128.497 125.746 2.751 17840 902 1 3 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.629 -0.296 17840 903 1 3 . 1 1 46 46 LYS C C 46 174.847 174.847 175.556 -0.709 17840 904 1 3 . 1 1 46 46 LYS CA C 46 53.972 53.972 55.155 -1.183 17840 905 1 3 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.185 -0.338 17840 906 1 3 . 1 1 46 46 LYS H H 46 7.144 7.144 7.322 -0.178 17840 907 1 3 . 1 1 47 47 ASP N N 47 126.400 126.400 125.638 0.762 17840 908 1 3 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.412 -0.408 17840 909 1 3 . 1 1 47 47 ASP C C 47 179.191 179.191 177.556 1.635 17840 910 1 3 . 1 1 47 47 ASP CA C 47 57.428 57.428 56.316 1.112 17840 911 1 3 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.536 1.752 17840 912 1 3 . 1 1 47 47 ASP H H 47 8.513 8.513 9.016 -0.503 17840 913 1 3 . 1 1 48 48 GLU N N 48 118.126 118.126 119.388 -1.262 17840 914 1 3 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.116 -0.043 17840 915 1 3 . 1 1 48 48 GLU C C 48 176.976 176.976 177.082 -0.106 17840 916 1 3 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.484 1.556 17840 917 1 3 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.723 -1.066 17840 918 1 3 . 1 1 48 48 GLU H H 48 9.618 9.618 8.669 0.949 17840 919 1 3 . 1 1 49 49 ILE N N 49 105.335 105.335 109.379 -4.044 17840 920 1 3 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.367 0.252 17840 921 1 3 . 1 1 49 49 ILE C C 49 175.290 175.290 174.203 1.087 17840 922 1 3 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.139 0.250 17840 923 1 3 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.564 -0.223 17840 924 1 3 . 1 1 49 49 ILE H H 49 6.187 6.187 7.256 -1.069 17840 925 1 3 . 1 1 50 50 LYS N N 50 124.144 124.144 118.969 5.175 17840 926 1 3 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.555 0.618 17840 927 1 3 . 1 1 50 50 LYS C C 50 174.159 174.159 174.292 -0.133 17840 928 1 3 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.846 -0.930 17840 929 1 3 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.703 0.646 17840 930 1 3 . 1 1 50 50 LYS H H 50 7.659 7.659 7.712 -0.053 17840 931 1 3 . 1 1 51 51 THR N N 51 109.166 109.166 114.635 -5.469 17840 932 1 3 . 1 1 51 51 THR HA H 51 5.650 5.650 5.052 0.598 17840 933 1 3 . 1 1 51 51 THR C C 51 173.405 173.405 172.707 0.698 17840 934 1 3 . 1 1 51 51 THR CA C 51 62.262 62.262 61.150 1.112 17840 935 1 3 . 1 1 51 51 THR CB C 51 73.271 73.271 70.684 2.587 17840 936 1 3 . 1 1 51 51 THR H H 51 6.843 6.843 7.047 -0.204 17840 937 1 3 . 1 1 52 52 PHE N N 52 130.917 130.917 129.398 1.519 17840 938 1 3 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.979 0.580 17840 939 1 3 . 1 1 52 52 PHE C C 52 173.627 173.627 174.932 -1.305 17840 940 1 3 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.930 0.340 17840 941 1 3 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.984 0.170 17840 942 1 3 . 1 1 52 52 PHE H H 52 10.025 10.025 8.771 1.254 17840 943 1 3 . 1 1 53 53 THR N N 53 117.627 117.627 115.409 2.218 17840 944 1 3 . 1 1 53 53 THR HA H 53 5.217 5.217 4.861 0.356 17840 945 1 3 . 1 1 53 53 THR C C 53 171.586 171.586 172.808 -1.222 17840 946 1 3 . 1 1 53 53 THR CA C 53 61.724 61.724 60.825 0.898 17840 947 1 3 . 1 1 53 53 THR CB C 53 70.567 70.567 71.785 -1.218 17840 948 1 3 . 1 1 53 53 THR H H 53 8.927 8.927 9.309 -0.382 17840 949 1 3 . 1 1 54 54 VAL N N 54 124.587 124.587 124.343 0.244 17840 950 1 3 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.985 0.442 17840 951 1 3 . 1 1 54 54 VAL C C 54 172.873 172.873 175.377 -2.504 17840 952 1 3 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.553 -0.934 17840 953 1 3 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.091 0.571 17840 954 1 3 . 1 1 54 54 VAL H H 54 8.302 8.302 8.281 0.021 17840 955 1 3 . 1 1 55 55 THR N N 55 124.116 124.116 123.721 0.395 17840 956 1 3 . 1 1 55 55 THR HA H 55 4.769 4.769 4.844 -0.075 17840 957 1 3 . 1 1 55 55 THR C C 55 173.294 173.294 173.476 -0.182 17840 958 1 3 . 1 1 55 55 THR CA C 55 61.698 61.698 61.670 0.028 17840 959 1 3 . 1 1 55 55 THR CB C 55 71.382 71.382 70.460 0.922 17840 960 1 3 . 1 1 55 55 THR H H 55 8.229 8.229 8.271 -0.042 17840 961 1 4 . 1 1 2 2 THR N N 2 123.900 123.900 117.903 5.997 17840 962 1 4 . 1 1 2 2 THR HA H 2 4.311 4.311 4.568 -0.257 17840 963 1 4 . 1 1 2 2 THR C C 2 172.130 172.130 173.537 -1.407 17840 964 1 4 . 1 1 2 2 THR CA C 2 63.855 63.855 60.758 3.097 17840 965 1 4 . 1 1 2 2 THR CB C 2 68.688 68.688 69.639 -0.951 17840 966 1 4 . 1 1 2 2 THR H H 2 8.670 8.670 8.248 0.422 17840 967 1 4 . 1 1 3 3 TYR N N 3 127.206 127.206 128.378 -1.172 17840 968 1 4 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.259 0.102 17840 969 1 4 . 1 1 3 3 TYR C C 3 173.427 173.427 174.177 -0.750 17840 970 1 4 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.411 0.542 17840 971 1 4 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.949 0.159 17840 972 1 4 . 1 1 3 3 TYR H H 3 8.657 8.657 9.126 -0.469 17840 973 1 4 . 1 1 4 4 LYS N N 4 120.377 120.377 123.792 -3.415 17840 974 1 4 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.358 0.043 17840 975 1 4 . 1 1 4 4 LYS C C 4 172.296 172.296 174.145 -1.849 17840 976 1 4 . 1 1 4 4 LYS CA C 4 54.660 54.660 53.985 0.675 17840 977 1 4 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.911 -0.961 17840 978 1 4 . 1 1 4 4 LYS H H 4 8.599 8.599 8.217 0.382 17840 979 1 4 . 1 1 5 5 LEU N N 5 126.484 126.484 121.453 5.031 17840 980 1 4 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.274 -0.251 17840 981 1 4 . 1 1 5 5 LEU C C 5 174.359 174.359 174.685 -0.326 17840 982 1 4 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.642 -1.105 17840 983 1 4 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.685 -2.523 17840 984 1 4 . 1 1 5 5 LEU H H 5 8.781 8.781 7.986 0.795 17840 985 1 4 . 1 1 6 6 ILE N N 6 126.235 126.235 122.991 3.244 17840 986 1 4 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.854 -0.486 17840 987 1 4 . 1 1 6 6 ILE C C 6 173.982 173.982 174.571 -0.589 17840 988 1 4 . 1 1 6 6 ILE CA C 6 60.462 60.462 58.997 1.465 17840 989 1 4 . 1 1 6 6 ILE CB C 6 38.716 38.716 38.963 -0.247 17840 990 1 4 . 1 1 6 6 ILE H H 6 8.895 8.895 8.074 0.821 17840 991 1 4 . 1 1 7 7 LEU N N 7 125.986 125.986 128.649 -2.663 17840 992 1 4 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.640 -0.243 17840 993 1 4 . 1 1 7 7 LEU C C 7 173.915 173.915 175.600 -1.685 17840 994 1 4 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.902 -0.273 17840 995 1 4 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.701 -2.389 17840 996 1 4 . 1 1 7 7 LEU H H 7 8.627 8.627 7.728 0.899 17840 997 1 4 . 1 1 8 8 ASN N N 8 125.244 125.244 120.813 4.431 17840 998 1 4 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.067 0.003 17840 999 1 4 . 1 1 8 8 ASN C C 8 173.960 173.960 174.560 -0.600 17840 1000 1 4 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.495 -0.682 17840 1001 1 4 . 1 1 8 8 ASN CB C 8 37.862 37.862 41.155 -3.293 17840 1002 1 4 . 1 1 8 8 ASN H H 8 8.762 8.762 9.013 -0.251 17840 1003 1 4 . 1 1 9 9 LEU N N 9 121.294 121.294 120.532 0.762 17840 1004 1 4 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.742 -0.109 17840 1005 1 4 . 1 1 9 9 LEU C C 9 176.821 176.821 176.690 0.131 17840 1006 1 4 . 1 1 9 9 LEU CA C 9 53.418 53.418 54.090 -0.672 17840 1007 1 4 . 1 1 9 9 LEU CB C 9 41.422 41.422 41.927 -0.505 17840 1008 1 4 . 1 1 9 9 LEU H H 9 7.409 7.409 8.146 -0.737 17840 1009 1 4 . 1 1 10 10 LYS N N 10 120.567 120.567 117.663 2.904 17840 1010 1 4 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.901 0.035 17840 1011 1 4 . 1 1 10 10 LYS C C 10 179.217 179.217 175.964 3.253 17840 1012 1 4 . 1 1 10 10 LYS CA C 10 59.712 59.712 57.625 2.087 17840 1013 1 4 . 1 1 10 10 LYS CB C 10 31.806 31.806 31.550 0.256 17840 1014 1 4 . 1 1 10 10 LYS H H 10 8.935 8.935 8.243 0.692 17840 1015 1 4 . 1 1 11 11 GLN N N 11 112.875 112.875 116.234 -3.359 17840 1016 1 4 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.530 -0.219 17840 1017 1 4 . 1 1 11 11 GLN C C 11 174.891 174.891 173.936 0.955 17840 1018 1 4 . 1 1 11 11 GLN CA C 11 55.966 55.966 57.237 -1.271 17840 1019 1 4 . 1 1 11 11 GLN CB C 11 29.158 29.158 30.921 -1.763 17840 1020 1 4 . 1 1 11 11 GLN H H 11 8.296 8.296 8.118 0.178 17840 1021 1 4 . 1 1 12 12 ALA N N 12 119.661 119.661 121.950 -2.289 17840 1022 1 4 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.443 -0.118 17840 1023 1 4 . 1 1 12 12 ALA C C 12 173.760 173.760 174.842 -1.082 17840 1024 1 4 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.575 0.934 17840 1025 1 4 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.751 0.661 17840 1026 1 4 . 1 1 12 12 ALA H H 12 6.849 6.849 7.595 -0.746 17840 1027 1 4 . 1 1 13 13 LYS N N 13 119.342 119.342 124.172 -4.830 17840 1028 1 4 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.829 0.442 17840 1029 1 4 . 1 1 13 13 LYS C C 13 175.801 175.801 176.053 -0.252 17840 1030 1 4 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.790 -0.655 17840 1031 1 4 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.449 0.243 17840 1032 1 4 . 1 1 13 13 LYS H H 13 8.050 8.050 8.412 -0.362 17840 1033 1 4 . 1 1 14 14 GLU N N 14 123.266 123.266 126.244 -2.978 17840 1034 1 4 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.522 0.217 17840 1035 1 4 . 1 1 14 14 GLU C C 14 173.316 173.316 175.129 -1.813 17840 1036 1 4 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.195 -0.353 17840 1037 1 4 . 1 1 14 14 GLU CB C 14 34.360 34.360 31.688 2.672 17840 1038 1 4 . 1 1 14 14 GLU H H 14 8.327 8.327 9.242 -0.915 17840 1039 1 4 . 1 1 15 15 GLU N N 15 119.898 119.898 117.753 2.145 17840 1040 1 4 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.553 -0.044 17840 1041 1 4 . 1 1 15 15 GLU C C 15 174.270 174.270 175.147 -0.877 17840 1042 1 4 . 1 1 15 15 GLU CA C 15 54.655 54.655 54.963 -0.308 17840 1043 1 4 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.493 1.538 17840 1044 1 4 . 1 1 15 15 GLU H H 15 8.386 8.386 8.442 -0.056 17840 1045 1 4 . 1 1 16 16 ALA N N 16 125.415 125.415 124.595 0.820 17840 1046 1 4 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.850 0.024 17840 1047 1 4 . 1 1 16 16 ALA C C 16 174.403 174.403 175.069 -0.666 17840 1048 1 4 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.741 -0.377 17840 1049 1 4 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.767 0.729 17840 1050 1 4 . 1 1 16 16 ALA H H 16 8.911 8.911 8.224 0.687 17840 1051 1 4 . 1 1 17 17 ILE N N 17 117.476 117.476 116.576 0.900 17840 1052 1 4 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.242 0.226 17840 1053 1 4 . 1 1 17 17 ILE C C 17 175.712 175.712 174.723 0.989 17840 1054 1 4 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.277 -0.404 17840 1055 1 4 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.676 1.487 17840 1056 1 4 . 1 1 17 17 ILE H H 17 8.329 8.329 8.309 0.020 17840 1057 1 4 . 1 1 18 18 LYS N N 18 125.884 125.884 127.098 -1.214 17840 1058 1 4 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.624 -0.204 17840 1059 1 4 . 1 1 18 18 LYS C C 18 172.873 172.873 175.032 -2.159 17840 1060 1 4 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.044 0.075 17840 1061 1 4 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.071 2.159 17840 1062 1 4 . 1 1 18 18 LYS H H 18 9.050 9.050 9.450 -0.400 17840 1063 1 4 . 1 1 19 19 GLU N N 19 128.105 128.105 126.132 1.973 17840 1064 1 4 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.954 0.019 17840 1065 1 4 . 1 1 19 19 GLU C C 19 175.135 175.135 174.739 0.396 17840 1066 1 4 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.319 0.081 17840 1067 1 4 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.887 -0.571 17840 1068 1 4 . 1 1 19 19 GLU H H 19 8.241 8.241 8.579 -0.338 17840 1069 1 4 . 1 1 20 20 LEU N N 20 127.206 127.206 124.983 2.223 17840 1070 1 4 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.709 -0.494 17840 1071 1 4 . 1 1 20 20 LEU C C 20 177.531 177.531 178.324 -0.793 17840 1072 1 4 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.535 -0.329 17840 1073 1 4 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.102 2.582 17840 1074 1 4 . 1 1 20 20 LEU H H 20 8.563 8.563 8.084 0.479 17840 1075 1 4 . 1 1 21 21 VAL N N 21 116.204 116.204 117.286 -1.082 17840 1076 1 4 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.878 0.136 17840 1077 1 4 . 1 1 21 21 VAL C C 21 175.002 175.002 176.126 -1.124 17840 1078 1 4 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.513 0.821 17840 1079 1 4 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.104 -0.177 17840 1080 1 4 . 1 1 21 21 VAL H H 21 8.094 8.094 8.382 -0.288 17840 1081 1 4 . 1 1 22 22 ASP N N 22 114.375 114.375 119.550 -5.175 17840 1082 1 4 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.746 0.092 17840 1083 1 4 . 1 1 22 22 ASP C C 22 174.536 174.536 175.446 -0.910 17840 1084 1 4 . 1 1 22 22 ASP CA C 22 53.147 53.147 53.163 -0.016 17840 1085 1 4 . 1 1 22 22 ASP CB C 22 42.692 42.692 42.608 0.084 17840 1086 1 4 . 1 1 22 22 ASP H H 22 6.862 6.862 7.665 -0.803 17840 1087 1 4 . 1 1 23 23 ALA N N 23 121.084 121.084 120.879 0.205 17840 1088 1 4 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.575 -1.575 17840 1089 1 4 . 1 1 23 23 ALA C C 23 180.082 180.082 178.173 1.909 17840 1090 1 4 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.622 2.221 17840 1091 1 4 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.774 -2.154 17840 1092 1 4 . 1 1 23 23 ALA H H 23 8.389 8.389 8.448 -0.059 17840 1093 1 4 . 1 1 24 24 GLY N N 24 108.035 108.035 108.975 -0.940 17840 1094 1 4 . 1 1 24 24 GLY C C 24 176.910 176.910 175.454 1.456 17840 1095 1 4 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.845 0.188 17840 1096 1 4 . 1 1 24 24 GLY H H 24 8.391 8.391 8.229 0.162 17840 1097 1 4 . 1 1 25 25 THR N N 25 120.237 120.237 118.010 2.227 17840 1098 1 4 . 1 1 25 25 THR HA H 25 4.000 4.000 4.065 -0.065 17840 1099 1 4 . 1 1 25 25 THR C C 25 176.555 176.555 176.603 -0.048 17840 1100 1 4 . 1 1 25 25 THR CA C 25 66.900 66.900 67.084 -0.184 17840 1101 1 4 . 1 1 25 25 THR CB C 25 68.095 68.095 68.571 -0.476 17840 1102 1 4 . 1 1 25 25 THR H H 25 8.071 8.071 8.154 -0.083 17840 1103 1 4 . 1 1 26 26 ALA N N 26 124.685 124.685 122.229 2.456 17840 1104 1 4 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.897 -0.436 17840 1105 1 4 . 1 1 26 26 ALA C C 26 175.734 175.734 179.156 -3.422 17840 1106 1 4 . 1 1 26 26 ALA CA C 26 52.843 52.843 55.020 -2.177 17840 1107 1 4 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.902 -0.500 17840 1108 1 4 . 1 1 26 26 ALA H H 26 7.444 7.444 8.425 -0.981 17840 1109 1 4 . 1 1 27 27 GLU N N 27 119.278 119.278 118.209 1.069 17840 1110 1 4 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.285 -1.488 17840 1111 1 4 . 1 1 27 27 GLU C C 27 177.131 177.131 179.004 -1.873 17840 1112 1 4 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.370 0.767 17840 1113 1 4 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.578 -0.351 17840 1114 1 4 . 1 1 27 27 GLU H H 27 8.121 8.121 7.604 0.517 17840 1115 1 4 . 1 1 28 28 LYS N N 28 115.377 115.377 120.300 -4.923 17840 1116 1 4 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.159 -0.519 17840 1117 1 4 . 1 1 28 28 LYS C C 28 178.640 178.640 178.949 -0.309 17840 1118 1 4 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.280 0.571 17840 1119 1 4 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.717 -0.311 17840 1120 1 4 . 1 1 28 28 LYS H H 28 6.847 6.847 8.184 -1.337 17840 1121 1 4 . 1 1 29 29 TYR N N 29 119.713 119.713 120.577 -0.864 17840 1122 1 4 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.068 0.041 17840 1123 1 4 . 1 1 29 29 TYR C C 29 177.619 177.619 178.003 -0.384 17840 1124 1 4 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.377 -1.104 17840 1125 1 4 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.459 -0.485 17840 1126 1 4 . 1 1 29 29 TYR H H 29 7.358 7.358 8.670 -1.312 17840 1127 1 4 . 1 1 30 30 PHE N N 30 117.565 117.565 117.127 0.438 17840 1128 1 4 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.269 0.238 17840 1129 1 4 . 1 1 30 30 PHE C C 30 178.507 178.507 177.937 0.570 17840 1130 1 4 . 1 1 30 30 PHE CA C 30 57.562 57.562 61.193 -3.631 17840 1131 1 4 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.763 -1.140 17840 1132 1 4 . 1 1 30 30 PHE H H 30 8.601 8.601 8.064 0.537 17840 1133 1 4 . 1 1 31 31 LYS N N 31 121.534 121.534 120.551 0.983 17840 1134 1 4 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.268 -0.250 17840 1135 1 4 . 1 1 31 31 LYS C C 31 178.751 178.751 179.272 -0.521 17840 1136 1 4 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.632 0.327 17840 1137 1 4 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.289 -0.586 17840 1138 1 4 . 1 1 31 31 LYS H H 31 8.310 8.310 7.710 0.600 17840 1139 1 4 . 1 1 32 32 LEU N N 32 118.368 118.368 121.608 -3.240 17840 1140 1 4 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.047 0.079 17840 1141 1 4 . 1 1 32 32 LEU C C 32 180.636 180.636 178.563 2.073 17840 1142 1 4 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.121 -0.031 17840 1143 1 4 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.047 -0.750 17840 1144 1 4 . 1 1 32 32 LEU H H 32 6.890 6.890 8.109 -1.219 17840 1145 1 4 . 1 1 33 33 ILE N N 33 118.866 118.866 119.524 -0.658 17840 1146 1 4 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.659 0.038 17840 1147 1 4 . 1 1 33 33 ILE C C 33 178.485 178.485 177.535 0.950 17840 1148 1 4 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.496 0.388 17840 1149 1 4 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.740 -0.226 17840 1150 1 4 . 1 1 33 33 ILE H H 33 6.985 6.985 7.767 -0.782 17840 1151 1 4 . 1 1 34 34 ALA N N 34 121.160 121.160 121.969 -0.809 17840 1152 1 4 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.907 0.032 17840 1153 1 4 . 1 1 34 34 ALA C C 34 179.372 179.372 179.362 0.010 17840 1154 1 4 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.606 -0.373 17840 1155 1 4 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.115 0.559 17840 1156 1 4 . 1 1 34 34 ALA H H 34 8.312 8.312 8.373 -0.061 17840 1157 1 4 . 1 1 35 35 ASN N N 35 116.166 116.166 116.608 -0.442 17840 1158 1 4 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.570 0.016 17840 1159 1 4 . 1 1 35 35 ASN C C 35 173.871 173.871 176.314 -2.443 17840 1160 1 4 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.776 -0.081 17840 1161 1 4 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.578 -0.447 17840 1162 1 4 . 1 1 35 35 ASN H H 35 8.222 8.222 8.230 -0.008 17840 1163 1 4 . 1 1 36 36 ALA N N 36 121.269 121.269 120.904 0.365 17840 1164 1 4 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.374 -0.094 17840 1165 1 4 . 1 1 36 36 ALA C C 36 178.507 178.507 178.578 -0.071 17840 1166 1 4 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.480 0.603 17840 1167 1 4 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.172 -0.261 17840 1168 1 4 . 1 1 36 36 ALA H H 36 7.397 7.397 7.513 -0.116 17840 1169 1 4 . 1 1 37 37 LYS N N 37 116.114 116.114 118.789 -2.675 17840 1170 1 4 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.312 -0.006 17840 1171 1 4 . 1 1 37 37 LYS C C 37 175.401 175.401 177.288 -1.887 17840 1172 1 4 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.675 -1.412 17840 1173 1 4 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.680 0.251 17840 1174 1 4 . 1 1 37 37 LYS H H 37 7.371 7.371 8.208 -0.837 17840 1175 1 4 . 1 1 38 38 THR N N 38 113.187 113.187 110.933 2.254 17840 1176 1 4 . 1 1 38 38 THR HA H 38 4.300 4.300 4.526 -0.226 17840 1177 1 4 . 1 1 38 38 THR C C 38 173.139 173.139 172.978 0.161 17840 1178 1 4 . 1 1 38 38 THR CA C 38 61.530 61.530 61.441 0.089 17840 1179 1 4 . 1 1 38 38 THR CB C 38 69.468 69.468 70.543 -1.075 17840 1180 1 4 . 1 1 38 38 THR H H 38 7.812 7.812 7.952 -0.140 17840 1181 1 4 . 1 1 39 39 VAL N N 39 122.490 122.490 119.921 2.569 17840 1182 1 4 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.681 -0.429 17840 1183 1 4 . 1 1 39 39 VAL C C 39 174.869 174.869 174.468 0.401 17840 1184 1 4 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.559 0.951 17840 1185 1 4 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.271 -0.610 17840 1186 1 4 . 1 1 39 39 VAL H H 39 8.091 8.091 7.999 0.092 17840 1187 1 4 . 1 1 40 40 GLU N N 40 124.998 124.998 126.623 -1.625 17840 1188 1 4 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.400 0.144 17840 1189 1 4 . 1 1 40 40 GLU C C 40 174.913 174.913 176.476 -1.563 17840 1190 1 4 . 1 1 40 40 GLU CA C 40 55.397 55.397 57.169 -1.772 17840 1191 1 4 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.416 0.081 17840 1192 1 4 . 1 1 40 40 GLU H H 40 8.479 8.479 9.007 -0.528 17840 1193 1 4 . 1 1 41 41 GLY N N 41 107.295 107.295 109.306 -2.011 17840 1194 1 4 . 1 1 41 41 GLY C C 41 174.558 174.558 174.048 0.510 17840 1195 1 4 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.876 0.425 17840 1196 1 4 . 1 1 41 41 GLY H H 41 7.868 7.868 8.224 -0.356 17840 1197 1 4 . 1 1 42 42 VAL N N 42 120.789 120.789 120.427 0.362 17840 1198 1 4 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.561 -0.177 17840 1199 1 4 . 1 1 42 42 VAL C C 42 176.399 176.399 174.661 1.738 17840 1200 1 4 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.932 1.535 17840 1201 1 4 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.374 -0.981 17840 1202 1 4 . 1 1 42 42 VAL H H 42 8.087 8.087 7.809 0.278 17840 1203 1 4 . 1 1 43 43 TRP N N 43 130.892 130.892 127.025 3.867 17840 1204 1 4 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.442 -0.194 17840 1205 1 4 . 1 1 43 43 TRP C C 43 176.821 176.821 176.186 0.635 17840 1206 1 4 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.063 1.963 17840 1207 1 4 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.665 -0.889 17840 1208 1 4 . 1 1 43 43 TRP H H 43 9.224 9.224 8.640 0.584 17840 1209 1 4 . 1 1 44 44 THR N N 44 114.739 114.739 118.590 -3.851 17840 1210 1 4 . 1 1 44 44 THR HA H 44 4.802 4.802 4.859 -0.057 17840 1211 1 4 . 1 1 44 44 THR C C 44 171.963 171.963 172.713 -0.750 17840 1212 1 4 . 1 1 44 44 THR CA C 44 60.996 60.996 60.446 0.550 17840 1213 1 4 . 1 1 44 44 THR CB C 44 72.649 72.649 70.987 1.662 17840 1214 1 4 . 1 1 44 44 THR H H 44 9.093 9.093 8.995 0.098 17840 1215 1 4 . 1 1 45 45 TYR N N 45 121.068 121.068 119.484 1.584 17840 1216 1 4 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.223 -0.219 17840 1217 1 4 . 1 1 45 45 TYR C C 45 173.472 173.472 174.105 -0.633 17840 1218 1 4 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.606 -0.522 17840 1219 1 4 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.726 -1.492 17840 1220 1 4 . 1 1 45 45 TYR H H 45 8.474 8.474 8.331 0.143 17840 1221 1 4 . 1 1 46 46 LYS N N 46 128.497 128.497 124.008 4.489 17840 1222 1 4 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.699 -0.366 17840 1223 1 4 . 1 1 46 46 LYS C C 46 174.847 174.847 175.929 -1.082 17840 1224 1 4 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.920 -0.948 17840 1225 1 4 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.339 -0.492 17840 1226 1 4 . 1 1 46 46 LYS H H 46 7.144 7.144 7.330 -0.186 17840 1227 1 4 . 1 1 47 47 ASP N N 47 126.400 126.400 124.851 1.549 17840 1228 1 4 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.507 -0.503 17840 1229 1 4 . 1 1 47 47 ASP C C 47 179.191 179.191 176.713 2.478 17840 1230 1 4 . 1 1 47 47 ASP CA C 47 57.428 57.428 56.333 1.095 17840 1231 1 4 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.631 1.657 17840 1232 1 4 . 1 1 47 47 ASP H H 47 8.513 8.513 8.951 -0.438 17840 1233 1 4 . 1 1 48 48 GLU N N 48 118.126 118.126 119.061 -0.935 17840 1234 1 4 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.084 -0.011 17840 1235 1 4 . 1 1 48 48 GLU C C 48 176.976 176.976 177.270 -0.294 17840 1236 1 4 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.741 1.299 17840 1237 1 4 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.841 -1.184 17840 1238 1 4 . 1 1 48 48 GLU H H 48 9.618 9.618 8.448 1.170 17840 1239 1 4 . 1 1 49 49 ILE N N 49 105.335 105.335 111.230 -5.895 17840 1240 1 4 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.285 0.334 17840 1241 1 4 . 1 1 49 49 ILE C C 49 175.290 175.290 174.378 0.912 17840 1242 1 4 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.181 1.208 17840 1243 1 4 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.052 1.289 17840 1244 1 4 . 1 1 49 49 ILE H H 49 6.187 6.187 7.331 -1.144 17840 1245 1 4 . 1 1 50 50 LYS N N 50 124.144 124.144 119.482 4.662 17840 1246 1 4 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.601 0.572 17840 1247 1 4 . 1 1 50 50 LYS C C 50 174.159 174.159 174.094 0.065 17840 1248 1 4 . 1 1 50 50 LYS CA C 50 55.916 55.916 57.008 -1.092 17840 1249 1 4 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.048 0.301 17840 1250 1 4 . 1 1 50 50 LYS H H 50 7.659 7.659 7.903 -0.244 17840 1251 1 4 . 1 1 51 51 THR N N 51 109.166 109.166 111.794 -2.628 17840 1252 1 4 . 1 1 51 51 THR HA H 51 5.650 5.650 4.856 0.794 17840 1253 1 4 . 1 1 51 51 THR C C 51 173.405 173.405 172.843 0.562 17840 1254 1 4 . 1 1 51 51 THR CA C 51 62.262 62.262 60.110 2.152 17840 1255 1 4 . 1 1 51 51 THR CB C 51 73.271 73.271 71.125 2.146 17840 1256 1 4 . 1 1 51 51 THR H H 51 6.843 6.843 6.804 0.039 17840 1257 1 4 . 1 1 52 52 PHE N N 52 130.917 130.917 126.500 4.417 17840 1258 1 4 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.997 0.562 17840 1259 1 4 . 1 1 52 52 PHE C C 52 173.627 173.627 174.940 -1.313 17840 1260 1 4 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.412 0.858 17840 1261 1 4 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.203 -0.048 17840 1262 1 4 . 1 1 52 52 PHE H H 52 10.025 10.025 8.351 1.674 17840 1263 1 4 . 1 1 53 53 THR N N 53 117.627 117.627 115.540 2.087 17840 1264 1 4 . 1 1 53 53 THR HA H 53 5.217 5.217 4.503 0.714 17840 1265 1 4 . 1 1 53 53 THR C C 53 171.586 171.586 172.782 -1.196 17840 1266 1 4 . 1 1 53 53 THR CA C 53 61.724 61.724 60.876 0.848 17840 1267 1 4 . 1 1 53 53 THR CB C 53 70.567 70.567 71.558 -0.991 17840 1268 1 4 . 1 1 53 53 THR H H 53 8.927 8.927 8.867 0.060 17840 1269 1 4 . 1 1 54 54 VAL N N 54 124.587 124.587 125.058 -0.471 17840 1270 1 4 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.897 0.530 17840 1271 1 4 . 1 1 54 54 VAL C C 54 172.873 172.873 175.385 -2.512 17840 1272 1 4 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.637 -1.018 17840 1273 1 4 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.063 1.599 17840 1274 1 4 . 1 1 54 54 VAL H H 54 8.302 8.302 8.071 0.231 17840 1275 1 4 . 1 1 55 55 THR N N 55 124.116 124.116 123.956 0.160 17840 1276 1 4 . 1 1 55 55 THR HA H 55 4.769 4.769 5.149 -0.380 17840 1277 1 4 . 1 1 55 55 THR C C 55 173.294 173.294 173.443 -0.149 17840 1278 1 4 . 1 1 55 55 THR CA C 55 61.698 61.698 61.479 0.219 17840 1279 1 4 . 1 1 55 55 THR CB C 55 71.382 71.382 70.770 0.612 17840 1280 1 4 . 1 1 55 55 THR H H 55 8.229 8.229 8.298 -0.069 17840 1281 1 5 . 1 1 2 2 THR N N 2 123.900 123.900 116.141 7.759 17840 1282 1 5 . 1 1 2 2 THR HA H 2 4.311 4.311 4.408 -0.097 17840 1283 1 5 . 1 1 2 2 THR C C 2 172.130 172.130 173.552 -1.422 17840 1284 1 5 . 1 1 2 2 THR CA C 2 63.855 63.855 61.837 2.018 17840 1285 1 5 . 1 1 2 2 THR CB C 2 68.688 68.688 69.279 -0.591 17840 1286 1 5 . 1 1 2 2 THR H H 2 8.670 8.670 8.399 0.271 17840 1287 1 5 . 1 1 3 3 TYR N N 3 127.206 127.206 126.309 0.897 17840 1288 1 5 . 1 1 3 3 TYR HA H 3 5.361 5.361 4.956 0.405 17840 1289 1 5 . 1 1 3 3 TYR C C 3 173.427 173.427 174.774 -1.347 17840 1290 1 5 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.364 0.589 17840 1291 1 5 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.136 0.972 17840 1292 1 5 . 1 1 3 3 TYR H H 3 8.657 8.657 8.870 -0.213 17840 1293 1 5 . 1 1 4 4 LYS N N 4 120.377 120.377 124.316 -3.939 17840 1294 1 5 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.399 0.002 17840 1295 1 5 . 1 1 4 4 LYS C C 4 172.296 172.296 174.480 -2.184 17840 1296 1 5 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.597 0.063 17840 1297 1 5 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.287 -0.337 17840 1298 1 5 . 1 1 4 4 LYS H H 4 8.599 8.599 8.444 0.155 17840 1299 1 5 . 1 1 5 5 LEU N N 5 126.484 126.484 122.787 3.697 17840 1300 1 5 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.532 -0.509 17840 1301 1 5 . 1 1 5 5 LEU C C 5 174.359 174.359 175.019 -0.660 17840 1302 1 5 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.151 -0.614 17840 1303 1 5 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.009 -1.847 17840 1304 1 5 . 1 1 5 5 LEU H H 5 8.781 8.781 8.553 0.228 17840 1305 1 5 . 1 1 6 6 ILE N N 6 126.235 126.235 122.288 3.947 17840 1306 1 5 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.006 -0.638 17840 1307 1 5 . 1 1 6 6 ILE C C 6 173.982 173.982 174.783 -0.801 17840 1308 1 5 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.666 0.796 17840 1309 1 5 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.540 -0.824 17840 1310 1 5 . 1 1 6 6 ILE H H 6 8.895 8.895 8.571 0.324 17840 1311 1 5 . 1 1 7 7 LEU N N 7 125.986 125.986 127.840 -1.854 17840 1312 1 5 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.648 -0.251 17840 1313 1 5 . 1 1 7 7 LEU C C 7 173.915 173.915 175.217 -1.302 17840 1314 1 5 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.872 -0.243 17840 1315 1 5 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.504 -2.192 17840 1316 1 5 . 1 1 7 7 LEU H H 7 8.627 8.627 7.867 0.760 17840 1317 1 5 . 1 1 8 8 ASN N N 8 125.244 125.244 120.781 4.463 17840 1318 1 5 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.031 0.039 17840 1319 1 5 . 1 1 8 8 ASN C C 8 173.960 173.960 174.137 -0.177 17840 1320 1 5 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.286 -0.473 17840 1321 1 5 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.130 -2.268 17840 1322 1 5 . 1 1 8 8 ASN H H 8 8.762 8.762 8.732 0.030 17840 1323 1 5 . 1 1 9 9 LEU N N 9 121.294 121.294 119.834 1.460 17840 1324 1 5 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.797 -0.164 17840 1325 1 5 . 1 1 9 9 LEU C C 9 176.821 176.821 177.141 -0.320 17840 1326 1 5 . 1 1 9 9 LEU CA C 9 53.418 53.418 54.919 -1.501 17840 1327 1 5 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.030 -1.608 17840 1328 1 5 . 1 1 9 9 LEU H H 9 7.409 7.409 8.533 -1.124 17840 1329 1 5 . 1 1 10 10 LYS N N 10 120.567 120.567 120.059 0.508 17840 1330 1 5 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.603 -0.667 17840 1331 1 5 . 1 1 10 10 LYS C C 10 179.217 179.217 176.061 3.156 17840 1332 1 5 . 1 1 10 10 LYS CA C 10 59.712 59.712 55.329 4.383 17840 1333 1 5 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.147 -0.341 17840 1334 1 5 . 1 1 10 10 LYS H H 10 8.935 8.935 8.214 0.721 17840 1335 1 5 . 1 1 11 11 GLN N N 11 112.875 112.875 119.217 -6.342 17840 1336 1 5 . 1 1 11 11 GLN HA H 11 4.311 4.311 3.806 0.505 17840 1337 1 5 . 1 1 11 11 GLN C C 11 174.891 174.891 175.133 -0.242 17840 1338 1 5 . 1 1 11 11 GLN CA C 11 55.966 55.966 58.414 -2.448 17840 1339 1 5 . 1 1 11 11 GLN CB C 11 29.158 29.158 28.235 0.923 17840 1340 1 5 . 1 1 11 11 GLN H H 11 8.296 8.296 8.688 -0.392 17840 1341 1 5 . 1 1 12 12 ALA N N 12 119.661 119.661 123.632 -3.971 17840 1342 1 5 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.244 0.081 17840 1343 1 5 . 1 1 12 12 ALA C C 12 173.760 173.760 176.853 -3.093 17840 1344 1 5 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.265 0.244 17840 1345 1 5 . 1 1 12 12 ALA CB C 12 21.412 21.412 19.081 2.331 17840 1346 1 5 . 1 1 12 12 ALA H H 12 6.849 6.849 7.984 -1.135 17840 1347 1 5 . 1 1 13 13 LYS N N 13 119.342 119.342 123.857 -4.515 17840 1348 1 5 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.737 0.534 17840 1349 1 5 . 1 1 13 13 LYS C C 13 175.801 175.801 175.916 -0.115 17840 1350 1 5 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.378 -0.243 17840 1351 1 5 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.482 0.210 17840 1352 1 5 . 1 1 13 13 LYS H H 13 8.050 8.050 8.218 -0.168 17840 1353 1 5 . 1 1 14 14 GLU N N 14 123.266 123.266 120.217 3.049 17840 1354 1 5 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.477 0.262 17840 1355 1 5 . 1 1 14 14 GLU C C 14 173.316 173.316 175.377 -2.061 17840 1356 1 5 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.374 -0.532 17840 1357 1 5 . 1 1 14 14 GLU CB C 14 34.360 34.360 31.709 2.651 17840 1358 1 5 . 1 1 14 14 GLU H H 14 8.327 8.327 8.940 -0.613 17840 1359 1 5 . 1 1 15 15 GLU N N 15 119.898 119.898 119.495 0.403 17840 1360 1 5 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.507 0.002 17840 1361 1 5 . 1 1 15 15 GLU C C 15 174.270 174.270 175.189 -0.919 17840 1362 1 5 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.376 -0.721 17840 1363 1 5 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.462 0.569 17840 1364 1 5 . 1 1 15 15 GLU H H 15 8.386 8.386 8.522 -0.136 17840 1365 1 5 . 1 1 16 16 ALA N N 16 125.415 125.415 126.474 -1.059 17840 1366 1 5 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.636 0.238 17840 1367 1 5 . 1 1 16 16 ALA C C 16 174.403 174.403 175.084 -0.681 17840 1368 1 5 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.097 -0.733 17840 1369 1 5 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.504 0.992 17840 1370 1 5 . 1 1 16 16 ALA H H 16 8.911 8.911 8.264 0.647 17840 1371 1 5 . 1 1 17 17 ILE N N 17 117.476 117.476 121.061 -3.585 17840 1372 1 5 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.146 0.322 17840 1373 1 5 . 1 1 17 17 ILE C C 17 175.712 175.712 175.483 0.229 17840 1374 1 5 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.438 -0.564 17840 1375 1 5 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.428 1.735 17840 1376 1 5 . 1 1 17 17 ILE H H 17 8.329 8.329 8.465 -0.136 17840 1377 1 5 . 1 1 18 18 LYS N N 18 125.884 125.884 127.632 -1.748 17840 1378 1 5 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.639 -0.219 17840 1379 1 5 . 1 1 18 18 LYS C C 18 172.873 172.873 174.530 -1.657 17840 1380 1 5 . 1 1 18 18 LYS CA C 18 55.119 55.119 54.775 0.344 17840 1381 1 5 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.370 1.860 17840 1382 1 5 . 1 1 18 18 LYS H H 18 9.050 9.050 9.190 -0.140 17840 1383 1 5 . 1 1 19 19 GLU N N 19 128.105 128.105 125.180 2.925 17840 1384 1 5 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.821 0.152 17840 1385 1 5 . 1 1 19 19 GLU C C 19 175.135 175.135 175.416 -0.281 17840 1386 1 5 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.603 -0.203 17840 1387 1 5 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.772 -0.456 17840 1388 1 5 . 1 1 19 19 GLU H H 19 8.241 8.241 8.482 -0.241 17840 1389 1 5 . 1 1 20 20 LEU N N 20 127.206 127.206 125.246 1.960 17840 1390 1 5 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.525 -0.310 17840 1391 1 5 . 1 1 20 20 LEU C C 20 177.531 177.531 177.727 -0.196 17840 1392 1 5 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.039 -0.833 17840 1393 1 5 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.167 1.517 17840 1394 1 5 . 1 1 20 20 LEU H H 20 8.563 8.563 7.914 0.649 17840 1395 1 5 . 1 1 21 21 VAL N N 21 116.204 116.204 116.278 -0.074 17840 1396 1 5 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.862 0.152 17840 1397 1 5 . 1 1 21 21 VAL C C 21 175.002 175.002 176.286 -1.284 17840 1398 1 5 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.969 0.365 17840 1399 1 5 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.073 -0.146 17840 1400 1 5 . 1 1 21 21 VAL H H 21 8.094 8.094 8.326 -0.232 17840 1401 1 5 . 1 1 22 22 ASP N N 22 114.375 114.375 118.758 -4.383 17840 1402 1 5 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.858 -0.020 17840 1403 1 5 . 1 1 22 22 ASP C C 22 174.536 174.536 175.628 -1.092 17840 1404 1 5 . 1 1 22 22 ASP CA C 22 53.147 53.147 52.841 0.306 17840 1405 1 5 . 1 1 22 22 ASP CB C 22 42.692 42.692 42.918 -0.226 17840 1406 1 5 . 1 1 22 22 ASP H H 22 6.862 6.862 7.647 -0.785 17840 1407 1 5 . 1 1 23 23 ALA N N 23 121.084 121.084 120.794 0.290 17840 1408 1 5 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.642 -1.642 17840 1409 1 5 . 1 1 23 23 ALA C C 23 180.082 180.082 178.373 1.709 17840 1410 1 5 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.356 1.487 17840 1411 1 5 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.758 -2.138 17840 1412 1 5 . 1 1 23 23 ALA H H 23 8.389 8.389 8.389 -0.000 17840 1413 1 5 . 1 1 24 24 GLY N N 24 108.035 108.035 108.699 -0.664 17840 1414 1 5 . 1 1 24 24 GLY C C 24 176.910 176.910 175.538 1.372 17840 1415 1 5 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.903 0.130 17840 1416 1 5 . 1 1 24 24 GLY H H 24 8.391 8.391 8.224 0.167 17840 1417 1 5 . 1 1 25 25 THR N N 25 120.237 120.237 115.193 5.044 17840 1418 1 5 . 1 1 25 25 THR HA H 25 4.000 4.000 4.093 -0.093 17840 1419 1 5 . 1 1 25 25 THR C C 25 176.555 176.555 176.548 0.007 17840 1420 1 5 . 1 1 25 25 THR CA C 25 66.900 66.900 65.712 1.188 17840 1421 1 5 . 1 1 25 25 THR CB C 25 68.095 68.095 68.051 0.044 17840 1422 1 5 . 1 1 25 25 THR H H 25 8.071 8.071 8.049 0.022 17840 1423 1 5 . 1 1 26 26 ALA N N 26 124.685 124.685 123.446 1.239 17840 1424 1 5 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.959 -0.498 17840 1425 1 5 . 1 1 26 26 ALA C C 26 175.734 175.734 179.361 -3.627 17840 1426 1 5 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.901 -2.058 17840 1427 1 5 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.741 -0.339 17840 1428 1 5 . 1 1 26 26 ALA H H 26 7.444 7.444 8.270 -0.826 17840 1429 1 5 . 1 1 27 27 GLU N N 27 119.278 119.278 118.058 1.220 17840 1430 1 5 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.111 -1.314 17840 1431 1 5 . 1 1 27 27 GLU C C 27 177.131 177.131 179.040 -1.909 17840 1432 1 5 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.324 0.813 17840 1433 1 5 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.454 -0.228 17840 1434 1 5 . 1 1 27 27 GLU H H 27 8.121 8.121 7.480 0.641 17840 1435 1 5 . 1 1 28 28 LYS N N 28 115.377 115.377 119.838 -4.461 17840 1436 1 5 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.143 -0.503 17840 1437 1 5 . 1 1 28 28 LYS C C 28 178.640 178.640 179.028 -0.388 17840 1438 1 5 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.291 0.560 17840 1439 1 5 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.657 -0.251 17840 1440 1 5 . 1 1 28 28 LYS H H 28 6.847 6.847 7.941 -1.094 17840 1441 1 5 . 1 1 29 29 TYR N N 29 119.713 119.713 121.214 -1.501 17840 1442 1 5 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.166 -0.057 17840 1443 1 5 . 1 1 29 29 TYR C C 29 177.619 177.619 178.151 -0.532 17840 1444 1 5 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.893 -0.620 17840 1445 1 5 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.428 -0.454 17840 1446 1 5 . 1 1 29 29 TYR H H 29 7.358 7.358 8.678 -1.320 17840 1447 1 5 . 1 1 30 30 PHE N N 30 117.565 117.565 117.872 -0.307 17840 1448 1 5 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.393 0.114 17840 1449 1 5 . 1 1 30 30 PHE C C 30 178.507 178.507 177.964 0.543 17840 1450 1 5 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.404 -1.842 17840 1451 1 5 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.717 -1.094 17840 1452 1 5 . 1 1 30 30 PHE H H 30 8.601 8.601 8.308 0.293 17840 1453 1 5 . 1 1 31 31 LYS N N 31 121.534 121.534 120.681 0.853 17840 1454 1 5 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.181 -0.163 17840 1455 1 5 . 1 1 31 31 LYS C C 31 178.751 178.751 179.386 -0.635 17840 1456 1 5 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.103 0.856 17840 1457 1 5 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.091 -0.387 17840 1458 1 5 . 1 1 31 31 LYS H H 31 8.310 8.310 7.626 0.684 17840 1459 1 5 . 1 1 32 32 LEU N N 32 118.368 118.368 120.999 -2.631 17840 1460 1 5 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.061 0.065 17840 1461 1 5 . 1 1 32 32 LEU C C 32 180.636 180.636 178.912 1.724 17840 1462 1 5 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.334 -0.244 17840 1463 1 5 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.143 -0.846 17840 1464 1 5 . 1 1 32 32 LEU H H 32 6.890 6.890 7.917 -1.027 17840 1465 1 5 . 1 1 33 33 ILE N N 33 118.866 118.866 120.143 -1.277 17840 1466 1 5 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.682 0.015 17840 1467 1 5 . 1 1 33 33 ILE C C 33 178.485 178.485 177.386 1.099 17840 1468 1 5 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.752 0.132 17840 1469 1 5 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.752 -0.238 17840 1470 1 5 . 1 1 33 33 ILE H H 33 6.985 6.985 7.967 -0.982 17840 1471 1 5 . 1 1 34 34 ALA N N 34 121.160 121.160 121.776 -0.616 17840 1472 1 5 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.852 0.087 17840 1473 1 5 . 1 1 34 34 ALA C C 34 179.372 179.372 179.150 0.222 17840 1474 1 5 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.824 -0.591 17840 1475 1 5 . 1 1 34 34 ALA CB C 34 18.674 18.674 17.839 0.835 17840 1476 1 5 . 1 1 34 34 ALA H H 34 8.312 8.312 8.019 0.293 17840 1477 1 5 . 1 1 35 35 ASN N N 35 116.166 116.166 116.654 -0.488 17840 1478 1 5 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.602 -0.016 17840 1479 1 5 . 1 1 35 35 ASN C C 35 173.871 173.871 176.908 -3.037 17840 1480 1 5 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.932 -0.237 17840 1481 1 5 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.512 -0.381 17840 1482 1 5 . 1 1 35 35 ASN H H 35 8.222 8.222 7.591 0.631 17840 1483 1 5 . 1 1 36 36 ALA N N 36 121.269 121.269 120.951 0.318 17840 1484 1 5 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.221 0.059 17840 1485 1 5 . 1 1 36 36 ALA C C 36 178.507 178.507 178.961 -0.454 17840 1486 1 5 . 1 1 36 36 ALA CA C 36 54.083 54.083 54.038 0.045 17840 1487 1 5 . 1 1 36 36 ALA CB C 36 18.911 18.911 18.897 0.014 17840 1488 1 5 . 1 1 36 36 ALA H H 36 7.397 7.397 7.835 -0.439 17840 1489 1 5 . 1 1 37 37 LYS N N 37 116.114 116.114 118.589 -2.475 17840 1490 1 5 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.183 0.123 17840 1491 1 5 . 1 1 37 37 LYS C C 37 175.401 175.401 177.300 -1.899 17840 1492 1 5 . 1 1 37 37 LYS CA C 37 56.263 56.263 58.390 -2.127 17840 1493 1 5 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.279 0.652 17840 1494 1 5 . 1 1 37 37 LYS H H 37 7.371 7.371 7.834 -0.463 17840 1495 1 5 . 1 1 38 38 THR N N 38 113.187 113.187 113.575 -0.388 17840 1496 1 5 . 1 1 38 38 THR HA H 38 4.300 4.300 4.514 -0.214 17840 1497 1 5 . 1 1 38 38 THR C C 38 173.139 173.139 172.993 0.146 17840 1498 1 5 . 1 1 38 38 THR CA C 38 61.530 61.530 62.010 -0.480 17840 1499 1 5 . 1 1 38 38 THR CB C 38 69.468 69.468 70.816 -1.348 17840 1500 1 5 . 1 1 38 38 THR H H 38 7.812 7.812 7.916 -0.104 17840 1501 1 5 . 1 1 39 39 VAL N N 39 122.490 122.490 118.223 4.267 17840 1502 1 5 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.590 -0.338 17840 1503 1 5 . 1 1 39 39 VAL C C 39 174.869 174.869 174.424 0.445 17840 1504 1 5 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.056 0.454 17840 1505 1 5 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.254 -0.593 17840 1506 1 5 . 1 1 39 39 VAL H H 39 8.091 8.091 8.178 -0.087 17840 1507 1 5 . 1 1 40 40 GLU N N 40 124.998 124.998 125.445 -0.447 17840 1508 1 5 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.504 0.040 17840 1509 1 5 . 1 1 40 40 GLU C C 40 174.913 174.913 175.476 -0.563 17840 1510 1 5 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.349 -0.952 17840 1511 1 5 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.587 -0.090 17840 1512 1 5 . 1 1 40 40 GLU H H 40 8.479 8.479 8.881 -0.402 17840 1513 1 5 . 1 1 41 41 GLY N N 41 107.295 107.295 107.837 -0.542 17840 1514 1 5 . 1 1 41 41 GLY C C 41 174.558 174.558 173.011 1.547 17840 1515 1 5 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.877 0.424 17840 1516 1 5 . 1 1 41 41 GLY H H 41 7.868 7.868 7.930 -0.062 17840 1517 1 5 . 1 1 42 42 VAL N N 42 120.789 120.789 121.298 -0.509 17840 1518 1 5 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.533 -0.149 17840 1519 1 5 . 1 1 42 42 VAL C C 42 176.399 176.399 174.472 1.927 17840 1520 1 5 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.703 1.764 17840 1521 1 5 . 1 1 42 42 VAL CB C 42 33.393 33.393 33.803 -0.410 17840 1522 1 5 . 1 1 42 42 VAL H H 42 8.087 8.087 7.944 0.143 17840 1523 1 5 . 1 1 43 43 TRP N N 43 130.892 130.892 128.753 2.139 17840 1524 1 5 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.047 0.201 17840 1525 1 5 . 1 1 43 43 TRP C C 43 176.821 176.821 176.191 0.630 17840 1526 1 5 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.911 1.115 17840 1527 1 5 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.578 -0.803 17840 1528 1 5 . 1 1 43 43 TRP H H 43 9.224 9.224 8.677 0.547 17840 1529 1 5 . 1 1 44 44 THR N N 44 114.739 114.739 120.885 -6.146 17840 1530 1 5 . 1 1 44 44 THR HA H 44 4.802 4.802 4.859 -0.057 17840 1531 1 5 . 1 1 44 44 THR C C 44 171.963 171.963 172.563 -0.600 17840 1532 1 5 . 1 1 44 44 THR CA C 44 60.996 60.996 61.062 -0.066 17840 1533 1 5 . 1 1 44 44 THR CB C 44 72.649 72.649 71.657 0.992 17840 1534 1 5 . 1 1 44 44 THR H H 44 9.093 9.093 8.777 0.316 17840 1535 1 5 . 1 1 45 45 TYR N N 45 121.068 121.068 123.594 -2.526 17840 1536 1 5 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.002 0.002 17840 1537 1 5 . 1 1 45 45 TYR C C 45 173.472 173.472 173.766 -0.294 17840 1538 1 5 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.366 -0.282 17840 1539 1 5 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.685 -0.451 17840 1540 1 5 . 1 1 45 45 TYR H H 45 8.474 8.474 8.622 -0.148 17840 1541 1 5 . 1 1 46 46 LYS N N 46 128.497 128.497 126.690 1.807 17840 1542 1 5 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.466 -0.133 17840 1543 1 5 . 1 1 46 46 LYS C C 46 174.847 174.847 175.225 -0.378 17840 1544 1 5 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.931 -0.959 17840 1545 1 5 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.321 -0.473 17840 1546 1 5 . 1 1 46 46 LYS H H 46 7.144 7.144 8.012 -0.868 17840 1547 1 5 . 1 1 47 47 ASP N N 47 126.400 126.400 126.430 -0.030 17840 1548 1 5 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.653 -0.649 17840 1549 1 5 . 1 1 47 47 ASP C C 47 179.191 179.191 176.389 2.802 17840 1550 1 5 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.767 2.662 17840 1551 1 5 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.732 1.556 17840 1552 1 5 . 1 1 47 47 ASP H H 47 8.513 8.513 8.898 -0.385 17840 1553 1 5 . 1 1 48 48 GLU N N 48 118.126 118.126 118.557 -0.431 17840 1554 1 5 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.245 -0.172 17840 1555 1 5 . 1 1 48 48 GLU C C 48 176.976 176.976 176.039 0.937 17840 1556 1 5 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.329 1.711 17840 1557 1 5 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.522 -1.865 17840 1558 1 5 . 1 1 48 48 GLU H H 48 9.618 9.618 8.553 1.065 17840 1559 1 5 . 1 1 49 49 ILE N N 49 105.335 105.335 111.885 -6.550 17840 1560 1 5 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.322 0.297 17840 1561 1 5 . 1 1 49 49 ILE C C 49 175.290 175.290 174.302 0.988 17840 1562 1 5 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.884 0.505 17840 1563 1 5 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.369 -0.028 17840 1564 1 5 . 1 1 49 49 ILE H H 49 6.187 6.187 7.524 -1.337 17840 1565 1 5 . 1 1 50 50 LYS N N 50 124.144 124.144 119.152 4.992 17840 1566 1 5 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.691 0.482 17840 1567 1 5 . 1 1 50 50 LYS C C 50 174.159 174.159 174.784 -0.625 17840 1568 1 5 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.965 -1.048 17840 1569 1 5 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.862 0.487 17840 1570 1 5 . 1 1 50 50 LYS H H 50 7.659 7.659 7.859 -0.200 17840 1571 1 5 . 1 1 51 51 THR N N 51 109.166 109.166 111.905 -2.739 17840 1572 1 5 . 1 1 51 51 THR HA H 51 5.650 5.650 5.212 0.438 17840 1573 1 5 . 1 1 51 51 THR C C 51 173.405 173.405 172.892 0.513 17840 1574 1 5 . 1 1 51 51 THR CA C 51 62.262 62.262 60.695 1.567 17840 1575 1 5 . 1 1 51 51 THR CB C 51 73.271 73.271 71.072 2.199 17840 1576 1 5 . 1 1 51 51 THR H H 51 6.843 6.843 7.504 -0.661 17840 1577 1 5 . 1 1 52 52 PHE N N 52 130.917 130.917 127.108 3.809 17840 1578 1 5 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.129 0.430 17840 1579 1 5 . 1 1 52 52 PHE C C 52 173.627 173.627 174.774 -1.147 17840 1580 1 5 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.763 0.507 17840 1581 1 5 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.353 -0.198 17840 1582 1 5 . 1 1 52 52 PHE H H 52 10.025 10.025 8.965 1.060 17840 1583 1 5 . 1 1 53 53 THR N N 53 117.627 117.627 115.229 2.398 17840 1584 1 5 . 1 1 53 53 THR HA H 53 5.217 5.217 4.729 0.488 17840 1585 1 5 . 1 1 53 53 THR C C 53 171.586 171.586 172.603 -1.017 17840 1586 1 5 . 1 1 53 53 THR CA C 53 61.724 61.724 60.785 0.938 17840 1587 1 5 . 1 1 53 53 THR CB C 53 70.567 70.567 71.735 -1.168 17840 1588 1 5 . 1 1 53 53 THR H H 53 8.927 8.927 9.201 -0.274 17840 1589 1 5 . 1 1 54 54 VAL N N 54 124.587 124.587 125.305 -0.718 17840 1590 1 5 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.945 0.482 17840 1591 1 5 . 1 1 54 54 VAL C C 54 172.873 172.873 175.310 -2.437 17840 1592 1 5 . 1 1 54 54 VAL CA C 54 59.619 59.619 61.351 -1.732 17840 1593 1 5 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.365 0.297 17840 1594 1 5 . 1 1 54 54 VAL H H 54 8.302 8.302 8.042 0.260 17840 1595 1 5 . 1 1 55 55 THR N N 55 124.116 124.116 124.435 -0.319 17840 1596 1 5 . 1 1 55 55 THR HA H 55 4.769 4.769 5.101 -0.332 17840 1597 1 5 . 1 1 55 55 THR C C 55 173.294 173.294 173.360 -0.066 17840 1598 1 5 . 1 1 55 55 THR CA C 55 61.698 61.698 61.828 -0.130 17840 1599 1 5 . 1 1 55 55 THR CB C 55 71.382 71.382 70.465 0.917 17840 1600 1 5 . 1 1 55 55 THR H H 55 8.229 8.229 8.276 -0.047 17840 1601 1 6 . 1 1 2 2 THR N N 2 123.900 123.900 117.133 6.767 17840 1602 1 6 . 1 1 2 2 THR HA H 2 4.311 4.311 4.367 -0.056 17840 1603 1 6 . 1 1 2 2 THR C C 2 172.130 172.130 173.931 -1.801 17840 1604 1 6 . 1 1 2 2 THR CA C 2 63.855 63.855 62.382 1.473 17840 1605 1 6 . 1 1 2 2 THR CB C 2 68.688 68.688 69.313 -0.625 17840 1606 1 6 . 1 1 2 2 THR H H 2 8.670 8.670 8.355 0.315 17840 1607 1 6 . 1 1 3 3 TYR N N 3 127.206 127.206 128.029 -0.823 17840 1608 1 6 . 1 1 3 3 TYR HA H 3 5.361 5.361 4.973 0.388 17840 1609 1 6 . 1 1 3 3 TYR C C 3 173.427 173.427 174.220 -0.793 17840 1610 1 6 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.258 0.695 17840 1611 1 6 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.965 0.143 17840 1612 1 6 . 1 1 3 3 TYR H H 3 8.657 8.657 8.770 -0.113 17840 1613 1 6 . 1 1 4 4 LYS N N 4 120.377 120.377 123.051 -2.674 17840 1614 1 6 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.733 -0.332 17840 1615 1 6 . 1 1 4 4 LYS C C 4 172.296 172.296 174.819 -2.523 17840 1616 1 6 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.104 0.556 17840 1617 1 6 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.403 -1.453 17840 1618 1 6 . 1 1 4 4 LYS H H 4 8.599 8.599 8.454 0.145 17840 1619 1 6 . 1 1 5 5 LEU N N 5 126.484 126.484 122.262 4.222 17840 1620 1 6 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.518 -0.495 17840 1621 1 6 . 1 1 5 5 LEU C C 5 174.359 174.359 174.885 -0.526 17840 1622 1 6 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.666 -1.129 17840 1623 1 6 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.680 -2.518 17840 1624 1 6 . 1 1 5 5 LEU H H 5 8.781 8.781 8.670 0.111 17840 1625 1 6 . 1 1 6 6 ILE N N 6 126.235 126.235 122.323 3.912 17840 1626 1 6 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.066 -0.698 17840 1627 1 6 . 1 1 6 6 ILE C C 6 173.982 173.982 174.753 -0.771 17840 1628 1 6 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.768 0.694 17840 1629 1 6 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.906 -1.190 17840 1630 1 6 . 1 1 6 6 ILE H H 6 8.895 8.895 8.387 0.508 17840 1631 1 6 . 1 1 7 7 LEU N N 7 125.986 125.986 127.963 -1.977 17840 1632 1 6 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.777 -0.380 17840 1633 1 6 . 1 1 7 7 LEU C C 7 173.915 173.915 175.268 -1.353 17840 1634 1 6 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.947 -0.318 17840 1635 1 6 . 1 1 7 7 LEU CB C 7 41.312 41.312 44.245 -2.933 17840 1636 1 6 . 1 1 7 7 LEU H H 7 8.627 8.627 7.935 0.692 17840 1637 1 6 . 1 1 8 8 ASN N N 8 125.244 125.244 119.510 5.734 17840 1638 1 6 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.085 -0.015 17840 1639 1 6 . 1 1 8 8 ASN C C 8 173.960 173.960 174.735 -0.775 17840 1640 1 6 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.548 -0.735 17840 1641 1 6 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.743 -2.881 17840 1642 1 6 . 1 1 8 8 ASN H H 8 8.762 8.762 8.841 -0.079 17840 1643 1 6 . 1 1 9 9 LEU N N 9 121.294 121.294 120.252 1.042 17840 1644 1 6 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.663 -0.030 17840 1645 1 6 . 1 1 9 9 LEU C C 9 176.821 176.821 177.082 -0.261 17840 1646 1 6 . 1 1 9 9 LEU CA C 9 53.418 53.418 56.212 -2.794 17840 1647 1 6 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.782 -1.359 17840 1648 1 6 . 1 1 9 9 LEU H H 9 7.409 7.409 8.512 -1.103 17840 1649 1 6 . 1 1 10 10 LYS N N 10 120.567 120.567 119.210 1.357 17840 1650 1 6 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.532 -0.596 17840 1651 1 6 . 1 1 10 10 LYS C C 10 179.217 179.217 177.333 1.884 17840 1652 1 6 . 1 1 10 10 LYS CA C 10 59.712 59.712 56.836 2.876 17840 1653 1 6 . 1 1 10 10 LYS CB C 10 31.806 31.806 33.115 -1.309 17840 1654 1 6 . 1 1 10 10 LYS H H 10 8.935 8.935 8.061 0.874 17840 1655 1 6 . 1 1 11 11 GLN N N 11 112.875 112.875 117.264 -4.389 17840 1656 1 6 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.420 -0.109 17840 1657 1 6 . 1 1 11 11 GLN C C 11 174.891 174.891 175.394 -0.503 17840 1658 1 6 . 1 1 11 11 GLN CA C 11 55.966 55.966 55.679 0.287 17840 1659 1 6 . 1 1 11 11 GLN CB C 11 29.158 29.158 29.762 -0.604 17840 1660 1 6 . 1 1 11 11 GLN H H 11 8.296 8.296 7.970 0.326 17840 1661 1 6 . 1 1 12 12 ALA N N 12 119.661 119.661 126.159 -6.498 17840 1662 1 6 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.352 -0.027 17840 1663 1 6 . 1 1 12 12 ALA C C 12 173.760 173.760 177.528 -3.768 17840 1664 1 6 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.862 0.647 17840 1665 1 6 . 1 1 12 12 ALA CB C 12 21.412 21.412 18.855 2.557 17840 1666 1 6 . 1 1 12 12 ALA H H 12 6.849 6.849 8.056 -1.207 17840 1667 1 6 . 1 1 13 13 LYS N N 13 119.342 119.342 123.197 -3.855 17840 1668 1 6 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.690 0.581 17840 1669 1 6 . 1 1 13 13 LYS C C 13 175.801 175.801 175.698 0.103 17840 1670 1 6 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.233 -0.098 17840 1671 1 6 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.378 0.314 17840 1672 1 6 . 1 1 13 13 LYS H H 13 8.050 8.050 8.367 -0.317 17840 1673 1 6 . 1 1 14 14 GLU N N 14 123.266 123.266 120.627 2.639 17840 1674 1 6 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.415 0.324 17840 1675 1 6 . 1 1 14 14 GLU C C 14 173.316 173.316 175.332 -2.016 17840 1676 1 6 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.151 -0.309 17840 1677 1 6 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.004 2.356 17840 1678 1 6 . 1 1 14 14 GLU H H 14 8.327 8.327 8.875 -0.548 17840 1679 1 6 . 1 1 15 15 GLU N N 15 119.898 119.898 120.142 -0.244 17840 1680 1 6 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.581 -0.072 17840 1681 1 6 . 1 1 15 15 GLU C C 15 174.270 174.270 175.134 -0.864 17840 1682 1 6 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.108 -0.453 17840 1683 1 6 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.642 0.389 17840 1684 1 6 . 1 1 15 15 GLU H H 15 8.386 8.386 8.473 -0.087 17840 1685 1 6 . 1 1 16 16 ALA N N 16 125.415 125.415 125.965 -0.550 17840 1686 1 6 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.664 0.210 17840 1687 1 6 . 1 1 16 16 ALA C C 16 174.403 174.403 174.954 -0.551 17840 1688 1 6 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.024 -0.660 17840 1689 1 6 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.611 0.885 17840 1690 1 6 . 1 1 16 16 ALA H H 16 8.911 8.911 8.312 0.599 17840 1691 1 6 . 1 1 17 17 ILE N N 17 117.476 117.476 120.077 -2.601 17840 1692 1 6 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.324 0.144 17840 1693 1 6 . 1 1 17 17 ILE C C 17 175.712 175.712 175.202 0.510 17840 1694 1 6 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.485 -0.612 17840 1695 1 6 . 1 1 17 17 ILE CB C 17 42.163 42.163 41.276 0.887 17840 1696 1 6 . 1 1 17 17 ILE H H 17 8.329 8.329 8.416 -0.087 17840 1697 1 6 . 1 1 18 18 LYS N N 18 125.884 125.884 127.625 -1.741 17840 1698 1 6 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.762 -0.342 17840 1699 1 6 . 1 1 18 18 LYS C C 18 172.873 172.873 174.770 -1.897 17840 1700 1 6 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.019 0.100 17840 1701 1 6 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.848 1.382 17840 1702 1 6 . 1 1 18 18 LYS H H 18 9.050 9.050 9.443 -0.393 17840 1703 1 6 . 1 1 19 19 GLU N N 19 128.105 128.105 126.647 1.458 17840 1704 1 6 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.752 0.221 17840 1705 1 6 . 1 1 19 19 GLU C C 19 175.135 175.135 175.764 -0.629 17840 1706 1 6 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.880 -0.480 17840 1707 1 6 . 1 1 19 19 GLU CB C 19 29.316 29.316 30.125 -0.809 17840 1708 1 6 . 1 1 19 19 GLU H H 19 8.241 8.241 8.586 -0.345 17840 1709 1 6 . 1 1 20 20 LEU N N 20 127.206 127.206 125.561 1.645 17840 1710 1 6 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.557 -0.342 17840 1711 1 6 . 1 1 20 20 LEU C C 20 177.531 177.531 177.250 0.281 17840 1712 1 6 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.608 -0.403 17840 1713 1 6 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.773 1.911 17840 1714 1 6 . 1 1 20 20 LEU H H 20 8.563 8.563 8.099 0.464 17840 1715 1 6 . 1 1 21 21 VAL N N 21 116.204 116.204 118.485 -2.281 17840 1716 1 6 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.742 0.272 17840 1717 1 6 . 1 1 21 21 VAL C C 21 175.002 175.002 175.683 -0.681 17840 1718 1 6 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.635 0.699 17840 1719 1 6 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.309 -0.382 17840 1720 1 6 . 1 1 21 21 VAL H H 21 8.094 8.094 8.523 -0.429 17840 1721 1 6 . 1 1 22 22 ASP N N 22 114.375 114.375 116.823 -2.448 17840 1722 1 6 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.874 -0.036 17840 1723 1 6 . 1 1 22 22 ASP C C 22 174.536 174.536 174.867 -0.331 17840 1724 1 6 . 1 1 22 22 ASP CA C 22 53.147 53.147 52.917 0.230 17840 1725 1 6 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.091 -0.399 17840 1726 1 6 . 1 1 22 22 ASP H H 22 6.862 6.862 7.492 -0.630 17840 1727 1 6 . 1 1 23 23 ALA N N 23 121.084 121.084 120.130 0.954 17840 1728 1 6 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.799 -1.799 17840 1729 1 6 . 1 1 23 23 ALA C C 23 180.082 180.082 178.100 1.982 17840 1730 1 6 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.973 1.870 17840 1731 1 6 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.293 -1.673 17840 1732 1 6 . 1 1 23 23 ALA H H 23 8.389 8.389 8.306 0.083 17840 1733 1 6 . 1 1 24 24 GLY N N 24 108.035 108.035 108.829 -0.794 17840 1734 1 6 . 1 1 24 24 GLY C C 24 176.910 176.910 175.771 1.139 17840 1735 1 6 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.444 0.589 17840 1736 1 6 . 1 1 24 24 GLY H H 24 8.391 8.391 8.229 0.162 17840 1737 1 6 . 1 1 25 25 THR N N 25 120.237 120.237 114.363 5.874 17840 1738 1 6 . 1 1 25 25 THR HA H 25 4.000 4.000 4.081 -0.081 17840 1739 1 6 . 1 1 25 25 THR C C 25 176.555 176.555 176.463 0.092 17840 1740 1 6 . 1 1 25 25 THR CA C 25 66.900 66.900 64.985 1.915 17840 1741 1 6 . 1 1 25 25 THR CB C 25 68.095 68.095 68.916 -0.821 17840 1742 1 6 . 1 1 25 25 THR H H 25 8.071 8.071 8.088 -0.017 17840 1743 1 6 . 1 1 26 26 ALA N N 26 124.685 124.685 122.902 1.783 17840 1744 1 6 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.102 -0.641 17840 1745 1 6 . 1 1 26 26 ALA C C 26 175.734 175.734 179.175 -3.441 17840 1746 1 6 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.223 -1.380 17840 1747 1 6 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.526 -0.124 17840 1748 1 6 . 1 1 26 26 ALA H H 26 7.444 7.444 8.063 -0.619 17840 1749 1 6 . 1 1 27 27 GLU N N 27 119.278 119.278 118.987 0.291 17840 1750 1 6 . 1 1 27 27 GLU HA H 27 2.797 2.797 3.902 -1.105 17840 1751 1 6 . 1 1 27 27 GLU C C 27 177.131 177.131 178.740 -1.609 17840 1752 1 6 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.484 0.653 17840 1753 1 6 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.311 -0.084 17840 1754 1 6 . 1 1 27 27 GLU H H 27 8.121 8.121 7.823 0.298 17840 1755 1 6 . 1 1 28 28 LYS N N 28 115.377 115.377 119.224 -3.847 17840 1756 1 6 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.106 -0.466 17840 1757 1 6 . 1 1 28 28 LYS C C 28 178.640 178.640 178.873 -0.233 17840 1758 1 6 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.208 0.643 17840 1759 1 6 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.494 -0.088 17840 1760 1 6 . 1 1 28 28 LYS H H 28 6.847 6.847 8.145 -1.298 17840 1761 1 6 . 1 1 29 29 TYR N N 29 119.713 119.713 121.223 -1.510 17840 1762 1 6 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.136 -0.027 17840 1763 1 6 . 1 1 29 29 TYR C C 29 177.619 177.619 177.990 -0.371 17840 1764 1 6 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.076 -0.803 17840 1765 1 6 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.663 -0.689 17840 1766 1 6 . 1 1 29 29 TYR H H 29 7.358 7.358 7.868 -0.510 17840 1767 1 6 . 1 1 30 30 PHE N N 30 117.565 117.565 117.213 0.352 17840 1768 1 6 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.292 0.215 17840 1769 1 6 . 1 1 30 30 PHE C C 30 178.507 178.507 177.998 0.509 17840 1770 1 6 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.834 -2.272 17840 1771 1 6 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.601 -0.978 17840 1772 1 6 . 1 1 30 30 PHE H H 30 8.601 8.601 8.523 0.078 17840 1773 1 6 . 1 1 31 31 LYS N N 31 121.534 121.534 120.268 1.266 17840 1774 1 6 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.052 -0.034 17840 1775 1 6 . 1 1 31 31 LYS C C 31 178.751 178.751 178.873 -0.122 17840 1776 1 6 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.644 0.315 17840 1777 1 6 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.393 -0.689 17840 1778 1 6 . 1 1 31 31 LYS H H 31 8.310 8.310 7.636 0.674 17840 1779 1 6 . 1 1 32 32 LEU N N 32 118.368 118.368 121.320 -2.952 17840 1780 1 6 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.010 0.116 17840 1781 1 6 . 1 1 32 32 LEU C C 32 180.636 180.636 178.386 2.250 17840 1782 1 6 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.041 0.049 17840 1783 1 6 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.002 -0.705 17840 1784 1 6 . 1 1 32 32 LEU H H 32 6.890 6.890 7.931 -1.041 17840 1785 1 6 . 1 1 33 33 ILE N N 33 118.866 118.866 119.508 -0.642 17840 1786 1 6 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.535 0.162 17840 1787 1 6 . 1 1 33 33 ILE C C 33 178.485 178.485 177.211 1.274 17840 1788 1 6 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.532 0.352 17840 1789 1 6 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.583 -0.069 17840 1790 1 6 . 1 1 33 33 ILE H H 33 6.985 6.985 7.698 -0.713 17840 1791 1 6 . 1 1 34 34 ALA N N 34 121.160 121.160 121.197 -0.037 17840 1792 1 6 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.913 0.026 17840 1793 1 6 . 1 1 34 34 ALA C C 34 179.372 179.372 179.467 -0.095 17840 1794 1 6 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.265 -0.032 17840 1795 1 6 . 1 1 34 34 ALA CB C 34 18.674 18.674 17.909 0.765 17840 1796 1 6 . 1 1 34 34 ALA H H 34 8.312 8.312 7.965 0.347 17840 1797 1 6 . 1 1 35 35 ASN N N 35 116.166 116.166 116.058 0.108 17840 1798 1 6 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.550 0.036 17840 1799 1 6 . 1 1 35 35 ASN C C 35 173.871 173.871 175.839 -1.968 17840 1800 1 6 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.549 0.146 17840 1801 1 6 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.383 -0.252 17840 1802 1 6 . 1 1 35 35 ASN H H 35 8.222 8.222 7.911 0.311 17840 1803 1 6 . 1 1 36 36 ALA N N 36 121.269 121.269 121.325 -0.056 17840 1804 1 6 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.356 -0.076 17840 1805 1 6 . 1 1 36 36 ALA C C 36 178.507 178.507 178.609 -0.102 17840 1806 1 6 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.576 0.507 17840 1807 1 6 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.198 -0.287 17840 1808 1 6 . 1 1 36 36 ALA H H 36 7.397 7.397 7.197 0.200 17840 1809 1 6 . 1 1 37 37 LYS N N 37 116.114 116.114 118.840 -2.726 17840 1810 1 6 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.258 0.048 17840 1811 1 6 . 1 1 37 37 LYS C C 37 175.401 175.401 177.247 -1.846 17840 1812 1 6 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.358 -1.095 17840 1813 1 6 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.326 0.605 17840 1814 1 6 . 1 1 37 37 LYS H H 37 7.371 7.371 8.202 -0.831 17840 1815 1 6 . 1 1 38 38 THR N N 38 113.187 113.187 113.330 -0.143 17840 1816 1 6 . 1 1 38 38 THR HA H 38 4.300 4.300 4.458 -0.158 17840 1817 1 6 . 1 1 38 38 THR C C 38 173.139 173.139 172.669 0.470 17840 1818 1 6 . 1 1 38 38 THR CA C 38 61.530 61.530 61.865 -0.335 17840 1819 1 6 . 1 1 38 38 THR CB C 38 69.468 69.468 71.542 -2.074 17840 1820 1 6 . 1 1 38 38 THR H H 38 7.812 7.812 7.821 -0.009 17840 1821 1 6 . 1 1 39 39 VAL N N 39 122.490 122.490 122.946 -0.456 17840 1822 1 6 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.296 -0.044 17840 1823 1 6 . 1 1 39 39 VAL C C 39 174.869 174.869 173.784 1.085 17840 1824 1 6 . 1 1 39 39 VAL CA C 39 62.510 62.510 63.171 -0.661 17840 1825 1 6 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.737 -0.076 17840 1826 1 6 . 1 1 39 39 VAL H H 39 8.091 8.091 8.335 -0.244 17840 1827 1 6 . 1 1 40 40 GLU N N 40 124.998 124.998 127.228 -2.230 17840 1828 1 6 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.621 -0.077 17840 1829 1 6 . 1 1 40 40 GLU C C 40 174.913 174.913 175.443 -0.530 17840 1830 1 6 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.407 -1.010 17840 1831 1 6 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.426 0.071 17840 1832 1 6 . 1 1 40 40 GLU H H 40 8.479 8.479 8.870 -0.391 17840 1833 1 6 . 1 1 41 41 GLY N N 41 107.295 107.295 107.759 -0.464 17840 1834 1 6 . 1 1 41 41 GLY C C 41 174.558 174.558 173.019 1.539 17840 1835 1 6 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.583 0.718 17840 1836 1 6 . 1 1 41 41 GLY H H 41 7.868 7.868 7.798 0.070 17840 1837 1 6 . 1 1 42 42 VAL N N 42 120.789 120.789 120.546 0.243 17840 1838 1 6 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.418 -0.034 17840 1839 1 6 . 1 1 42 42 VAL C C 42 176.399 176.399 174.756 1.643 17840 1840 1 6 . 1 1 42 42 VAL CA C 42 62.467 62.467 61.294 1.173 17840 1841 1 6 . 1 1 42 42 VAL CB C 42 33.393 33.393 33.528 -0.135 17840 1842 1 6 . 1 1 42 42 VAL H H 42 8.087 8.087 7.956 0.131 17840 1843 1 6 . 1 1 43 43 TRP N N 43 130.892 130.892 127.030 3.862 17840 1844 1 6 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.312 -0.064 17840 1845 1 6 . 1 1 43 43 TRP C C 43 176.821 176.821 176.098 0.723 17840 1846 1 6 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.347 1.679 17840 1847 1 6 . 1 1 43 43 TRP CB C 43 29.775 29.775 31.574 -1.799 17840 1848 1 6 . 1 1 43 43 TRP H H 43 9.224 9.224 8.470 0.754 17840 1849 1 6 . 1 1 44 44 THR N N 44 114.739 114.739 120.457 -5.718 17840 1850 1 6 . 1 1 44 44 THR HA H 44 4.802 4.802 4.852 -0.050 17840 1851 1 6 . 1 1 44 44 THR C C 44 171.963 171.963 172.549 -0.586 17840 1852 1 6 . 1 1 44 44 THR CA C 44 60.996 60.996 61.367 -0.371 17840 1853 1 6 . 1 1 44 44 THR CB C 44 72.649 72.649 71.110 1.539 17840 1854 1 6 . 1 1 44 44 THR H H 44 9.093 9.093 9.308 -0.215 17840 1855 1 6 . 1 1 45 45 TYR N N 45 121.068 121.068 126.125 -5.057 17840 1856 1 6 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.271 -0.267 17840 1857 1 6 . 1 1 45 45 TYR C C 45 173.472 173.472 174.477 -1.005 17840 1858 1 6 . 1 1 45 45 TYR CA C 45 57.084 57.084 56.243 0.841 17840 1859 1 6 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.159 -0.925 17840 1860 1 6 . 1 1 45 45 TYR H H 45 8.474 8.474 8.761 -0.287 17840 1861 1 6 . 1 1 46 46 LYS N N 46 128.497 128.497 124.681 3.816 17840 1862 1 6 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.424 -0.091 17840 1863 1 6 . 1 1 46 46 LYS C C 46 174.847 174.847 174.816 0.031 17840 1864 1 6 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.828 -0.856 17840 1865 1 6 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.204 -0.357 17840 1866 1 6 . 1 1 46 46 LYS H H 46 7.144 7.144 7.132 0.012 17840 1867 1 6 . 1 1 47 47 ASP N N 47 126.400 126.400 125.198 1.202 17840 1868 1 6 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.173 -0.169 17840 1869 1 6 . 1 1 47 47 ASP C C 47 179.191 179.191 177.410 1.781 17840 1870 1 6 . 1 1 47 47 ASP CA C 47 57.428 57.428 56.396 1.032 17840 1871 1 6 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.527 1.761 17840 1872 1 6 . 1 1 47 47 ASP H H 47 8.513 8.513 8.755 -0.242 17840 1873 1 6 . 1 1 48 48 GLU N N 48 118.126 118.126 119.105 -0.979 17840 1874 1 6 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.048 0.025 17840 1875 1 6 . 1 1 48 48 GLU C C 48 176.976 176.976 177.061 -0.085 17840 1876 1 6 . 1 1 48 48 GLU CA C 48 60.040 60.040 59.043 0.997 17840 1877 1 6 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.448 -0.791 17840 1878 1 6 . 1 1 48 48 GLU H H 48 9.618 9.618 8.437 1.181 17840 1879 1 6 . 1 1 49 49 ILE N N 49 105.335 105.335 115.743 -10.408 17840 1880 1 6 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.030 0.589 17840 1881 1 6 . 1 1 49 49 ILE C C 49 175.290 175.290 174.627 0.663 17840 1882 1 6 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.449 -0.060 17840 1883 1 6 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.125 0.216 17840 1884 1 6 . 1 1 49 49 ILE H H 49 6.187 6.187 7.559 -1.372 17840 1885 1 6 . 1 1 50 50 LYS N N 50 124.144 124.144 119.318 4.826 17840 1886 1 6 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.597 0.576 17840 1887 1 6 . 1 1 50 50 LYS C C 50 174.159 174.159 173.874 0.285 17840 1888 1 6 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.798 -0.882 17840 1889 1 6 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.148 0.201 17840 1890 1 6 . 1 1 50 50 LYS H H 50 7.659 7.659 8.003 -0.344 17840 1891 1 6 . 1 1 51 51 THR N N 51 109.166 109.166 116.563 -7.397 17840 1892 1 6 . 1 1 51 51 THR HA H 51 5.650 5.650 5.068 0.582 17840 1893 1 6 . 1 1 51 51 THR C C 51 173.405 173.405 173.192 0.213 17840 1894 1 6 . 1 1 51 51 THR CA C 51 62.262 62.262 61.959 0.303 17840 1895 1 6 . 1 1 51 51 THR CB C 51 73.271 73.271 70.845 2.426 17840 1896 1 6 . 1 1 51 51 THR H H 51 6.843 6.843 7.307 -0.464 17840 1897 1 6 . 1 1 52 52 PHE N N 52 130.917 130.917 128.656 2.261 17840 1898 1 6 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.096 0.463 17840 1899 1 6 . 1 1 52 52 PHE C C 52 173.627 173.627 175.256 -1.629 17840 1900 1 6 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.949 0.321 17840 1901 1 6 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.261 0.894 17840 1902 1 6 . 1 1 52 52 PHE H H 52 10.025 10.025 8.896 1.129 17840 1903 1 6 . 1 1 53 53 THR N N 53 117.627 117.627 116.509 1.118 17840 1904 1 6 . 1 1 53 53 THR HA H 53 5.217 5.217 4.867 0.350 17840 1905 1 6 . 1 1 53 53 THR C C 53 171.586 171.586 172.846 -1.260 17840 1906 1 6 . 1 1 53 53 THR CA C 53 61.724 61.724 60.667 1.057 17840 1907 1 6 . 1 1 53 53 THR CB C 53 70.567 70.567 71.644 -1.077 17840 1908 1 6 . 1 1 53 53 THR H H 53 8.927 8.927 9.559 -0.632 17840 1909 1 6 . 1 1 54 54 VAL N N 54 124.587 124.587 125.985 -1.398 17840 1910 1 6 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.186 0.241 17840 1911 1 6 . 1 1 54 54 VAL C C 54 172.873 172.873 175.905 -3.032 17840 1912 1 6 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.826 -1.207 17840 1913 1 6 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.108 0.554 17840 1914 1 6 . 1 1 54 54 VAL H H 54 8.302 8.302 8.163 0.139 17840 1915 1 6 . 1 1 55 55 THR N N 55 124.116 124.116 119.769 4.347 17840 1916 1 6 . 1 1 55 55 THR HA H 55 4.769 4.769 4.824 -0.055 17840 1917 1 6 . 1 1 55 55 THR C C 55 173.294 173.294 174.647 -1.353 17840 1918 1 6 . 1 1 55 55 THR CA C 55 61.698 61.698 59.972 1.726 17840 1919 1 6 . 1 1 55 55 THR CB C 55 71.382 71.382 69.860 1.522 17840 1920 1 6 . 1 1 55 55 THR H H 55 8.229 8.229 8.410 -0.181 17840 1921 1 7 . 1 1 2 2 THR N N 2 123.900 123.900 122.344 1.556 17840 1922 1 7 . 1 1 2 2 THR HA H 2 4.311 4.311 4.678 -0.367 17840 1923 1 7 . 1 1 2 2 THR C C 2 172.130 172.130 173.239 -1.109 17840 1924 1 7 . 1 1 2 2 THR CA C 2 63.855 63.855 62.066 1.789 17840 1925 1 7 . 1 1 2 2 THR CB C 2 68.688 68.688 69.035 -0.347 17840 1926 1 7 . 1 1 2 2 THR H H 2 8.670 8.670 8.388 0.282 17840 1927 1 7 . 1 1 3 3 TYR N N 3 127.206 127.206 127.361 -0.155 17840 1928 1 7 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.039 0.322 17840 1929 1 7 . 1 1 3 3 TYR C C 3 173.427 173.427 174.501 -1.074 17840 1930 1 7 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.806 0.147 17840 1931 1 7 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.442 0.666 17840 1932 1 7 . 1 1 3 3 TYR H H 3 8.657 8.657 8.651 0.006 17840 1933 1 7 . 1 1 4 4 LYS N N 4 120.377 120.377 124.290 -3.913 17840 1934 1 7 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.469 -0.068 17840 1935 1 7 . 1 1 4 4 LYS C C 4 172.296 172.296 174.272 -1.976 17840 1936 1 7 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.183 0.477 17840 1937 1 7 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.901 -0.951 17840 1938 1 7 . 1 1 4 4 LYS H H 4 8.599 8.599 8.416 0.183 17840 1939 1 7 . 1 1 5 5 LEU N N 5 126.484 126.484 121.025 5.459 17840 1940 1 7 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.398 -0.375 17840 1941 1 7 . 1 1 5 5 LEU C C 5 174.359 174.359 174.857 -0.498 17840 1942 1 7 . 1 1 5 5 LEU CA C 5 52.537 52.537 52.900 -0.363 17840 1943 1 7 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.346 -2.184 17840 1944 1 7 . 1 1 5 5 LEU H H 5 8.781 8.781 8.278 0.503 17840 1945 1 7 . 1 1 6 6 ILE N N 6 126.235 126.235 122.731 3.504 17840 1946 1 7 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.069 -0.701 17840 1947 1 7 . 1 1 6 6 ILE C C 6 173.982 173.982 174.720 -0.738 17840 1948 1 7 . 1 1 6 6 ILE CA C 6 60.462 60.462 58.719 1.743 17840 1949 1 7 . 1 1 6 6 ILE CB C 6 38.716 38.716 38.343 0.373 17840 1950 1 7 . 1 1 6 6 ILE H H 6 8.895 8.895 8.667 0.228 17840 1951 1 7 . 1 1 7 7 LEU N N 7 125.986 125.986 127.751 -1.765 17840 1952 1 7 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.564 -0.167 17840 1953 1 7 . 1 1 7 7 LEU C C 7 173.915 173.915 174.973 -1.058 17840 1954 1 7 . 1 1 7 7 LEU CA C 7 53.629 53.629 54.047 -0.418 17840 1955 1 7 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.454 -2.142 17840 1956 1 7 . 1 1 7 7 LEU H H 7 8.627 8.627 8.069 0.558 17840 1957 1 7 . 1 1 8 8 ASN N N 8 125.244 125.244 119.831 5.413 17840 1958 1 7 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.054 0.016 17840 1959 1 7 . 1 1 8 8 ASN C C 8 173.960 173.960 174.887 -0.927 17840 1960 1 7 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.441 -0.628 17840 1961 1 7 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.784 -2.922 17840 1962 1 7 . 1 1 8 8 ASN H H 8 8.762 8.762 8.573 0.189 17840 1963 1 7 . 1 1 9 9 LEU N N 9 121.294 121.294 123.177 -1.883 17840 1964 1 7 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.575 0.058 17840 1965 1 7 . 1 1 9 9 LEU C C 9 176.821 176.821 177.277 -0.456 17840 1966 1 7 . 1 1 9 9 LEU CA C 9 53.418 53.418 55.789 -2.371 17840 1967 1 7 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.108 -0.686 17840 1968 1 7 . 1 1 9 9 LEU H H 9 7.409 7.409 8.215 -0.806 17840 1969 1 7 . 1 1 10 10 LYS N N 10 120.567 120.567 119.190 1.377 17840 1970 1 7 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.136 -0.200 17840 1971 1 7 . 1 1 10 10 LYS C C 10 179.217 179.217 177.747 1.470 17840 1972 1 7 . 1 1 10 10 LYS CA C 10 59.712 59.712 58.583 1.129 17840 1973 1 7 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.668 -0.862 17840 1974 1 7 . 1 1 10 10 LYS H H 10 8.935 8.935 8.201 0.734 17840 1975 1 7 . 1 1 11 11 GLN N N 11 112.875 112.875 116.223 -3.348 17840 1976 1 7 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.348 -0.037 17840 1977 1 7 . 1 1 11 11 GLN C C 11 174.891 174.891 174.956 -0.065 17840 1978 1 7 . 1 1 11 11 GLN CA C 11 55.966 55.966 55.821 0.145 17840 1979 1 7 . 1 1 11 11 GLN CB C 11 29.158 29.158 29.660 -0.502 17840 1980 1 7 . 1 1 11 11 GLN H H 11 8.296 8.296 7.884 0.412 17840 1981 1 7 . 1 1 12 12 ALA N N 12 119.661 119.661 124.630 -4.969 17840 1982 1 7 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.300 0.025 17840 1983 1 7 . 1 1 12 12 ALA C C 12 173.760 173.760 176.477 -2.717 17840 1984 1 7 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.210 0.299 17840 1985 1 7 . 1 1 12 12 ALA CB C 12 21.412 21.412 19.511 1.901 17840 1986 1 7 . 1 1 12 12 ALA H H 12 6.849 6.849 8.033 -1.184 17840 1987 1 7 . 1 1 13 13 LYS N N 13 119.342 119.342 119.875 -0.533 17840 1988 1 7 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.866 0.405 17840 1989 1 7 . 1 1 13 13 LYS C C 13 175.801 175.801 176.047 -0.246 17840 1990 1 7 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.075 0.059 17840 1991 1 7 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.461 0.231 17840 1992 1 7 . 1 1 13 13 LYS H H 13 8.050 8.050 8.116 -0.066 17840 1993 1 7 . 1 1 14 14 GLU N N 14 123.266 123.266 121.050 2.216 17840 1994 1 7 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.473 0.266 17840 1995 1 7 . 1 1 14 14 GLU C C 14 173.316 173.316 175.409 -2.093 17840 1996 1 7 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.598 -0.756 17840 1997 1 7 . 1 1 14 14 GLU CB C 14 34.360 34.360 31.790 2.570 17840 1998 1 7 . 1 1 14 14 GLU H H 14 8.327 8.327 8.831 -0.504 17840 1999 1 7 . 1 1 15 15 GLU N N 15 119.898 119.898 122.955 -3.057 17840 2000 1 7 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.075 0.434 17840 2001 1 7 . 1 1 15 15 GLU C C 15 174.270 174.270 175.263 -0.993 17840 2002 1 7 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.092 -0.437 17840 2003 1 7 . 1 1 15 15 GLU CB C 15 34.031 34.031 31.951 2.080 17840 2004 1 7 . 1 1 15 15 GLU H H 15 8.386 8.386 8.661 -0.275 17840 2005 1 7 . 1 1 16 16 ALA N N 16 125.415 125.415 128.429 -3.014 17840 2006 1 7 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.878 -0.004 17840 2007 1 7 . 1 1 16 16 ALA C C 16 174.403 174.403 175.353 -0.950 17840 2008 1 7 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.002 -0.638 17840 2009 1 7 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.542 0.954 17840 2010 1 7 . 1 1 16 16 ALA H H 16 8.911 8.911 8.321 0.590 17840 2011 1 7 . 1 1 17 17 ILE N N 17 117.476 117.476 119.394 -1.918 17840 2012 1 7 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.402 0.066 17840 2013 1 7 . 1 1 17 17 ILE C C 17 175.712 175.712 175.238 0.474 17840 2014 1 7 . 1 1 17 17 ILE CA C 17 59.873 59.873 59.822 0.052 17840 2015 1 7 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.979 1.184 17840 2016 1 7 . 1 1 17 17 ILE H H 17 8.329 8.329 8.248 0.081 17840 2017 1 7 . 1 1 18 18 LYS N N 18 125.884 125.884 125.789 0.095 17840 2018 1 7 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.651 -0.231 17840 2019 1 7 . 1 1 18 18 LYS C C 18 172.873 172.873 175.465 -2.592 17840 2020 1 7 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.394 -0.275 17840 2021 1 7 . 1 1 18 18 LYS CB C 18 37.230 37.230 34.549 2.681 17840 2022 1 7 . 1 1 18 18 LYS H H 18 9.050 9.050 9.440 -0.390 17840 2023 1 7 . 1 1 19 19 GLU N N 19 128.105 128.105 125.561 2.544 17840 2024 1 7 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.917 0.056 17840 2025 1 7 . 1 1 19 19 GLU C C 19 175.135 175.135 174.782 0.353 17840 2026 1 7 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.609 -0.209 17840 2027 1 7 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.457 -0.141 17840 2028 1 7 . 1 1 19 19 GLU H H 19 8.241 8.241 8.648 -0.407 17840 2029 1 7 . 1 1 20 20 LEU N N 20 127.206 127.206 126.647 0.559 17840 2030 1 7 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.626 -0.411 17840 2031 1 7 . 1 1 20 20 LEU C C 20 177.531 177.531 176.723 0.808 17840 2032 1 7 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.342 -1.136 17840 2033 1 7 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.223 1.461 17840 2034 1 7 . 1 1 20 20 LEU H H 20 8.563 8.563 8.189 0.374 17840 2035 1 7 . 1 1 21 21 VAL N N 21 116.204 116.204 116.845 -0.641 17840 2036 1 7 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.398 -0.384 17840 2037 1 7 . 1 1 21 21 VAL C C 21 175.002 175.002 174.723 0.279 17840 2038 1 7 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.154 3.180 17840 2039 1 7 . 1 1 21 21 VAL CB C 21 31.927 31.927 31.663 0.264 17840 2040 1 7 . 1 1 21 21 VAL H H 21 8.094 8.094 8.259 -0.165 17840 2041 1 7 . 1 1 22 22 ASP N N 22 114.375 114.375 119.603 -5.228 17840 2042 1 7 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.683 0.155 17840 2043 1 7 . 1 1 22 22 ASP C C 22 174.536 174.536 175.568 -1.032 17840 2044 1 7 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.389 -1.242 17840 2045 1 7 . 1 1 22 22 ASP CB C 22 42.692 42.692 44.072 -1.380 17840 2046 1 7 . 1 1 22 22 ASP H H 22 6.862 6.862 7.478 -0.616 17840 2047 1 7 . 1 1 23 23 ALA N N 23 121.084 121.084 123.959 -2.875 17840 2048 1 7 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.352 -1.352 17840 2049 1 7 . 1 1 23 23 ALA C C 23 180.082 180.082 178.565 1.517 17840 2050 1 7 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.934 0.909 17840 2051 1 7 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.355 -1.735 17840 2052 1 7 . 1 1 23 23 ALA H H 23 8.389 8.389 8.613 -0.224 17840 2053 1 7 . 1 1 24 24 GLY N N 24 108.035 108.035 107.977 0.058 17840 2054 1 7 . 1 1 24 24 GLY C C 24 176.910 176.910 175.389 1.521 17840 2055 1 7 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.708 0.325 17840 2056 1 7 . 1 1 24 24 GLY H H 24 8.391 8.391 8.144 0.247 17840 2057 1 7 . 1 1 25 25 THR N N 25 120.237 120.237 120.167 0.070 17840 2058 1 7 . 1 1 25 25 THR HA H 25 4.000 4.000 3.975 0.025 17840 2059 1 7 . 1 1 25 25 THR C C 25 176.555 176.555 176.552 0.003 17840 2060 1 7 . 1 1 25 25 THR CA C 25 66.900 66.900 67.364 -0.464 17840 2061 1 7 . 1 1 25 25 THR CB C 25 68.095 68.095 68.530 -0.435 17840 2062 1 7 . 1 1 25 25 THR H H 25 8.071 8.071 8.055 0.016 17840 2063 1 7 . 1 1 26 26 ALA N N 26 124.685 124.685 122.459 2.226 17840 2064 1 7 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.938 -0.477 17840 2065 1 7 . 1 1 26 26 ALA C C 26 175.734 175.734 179.242 -3.508 17840 2066 1 7 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.994 -2.151 17840 2067 1 7 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.956 -0.554 17840 2068 1 7 . 1 1 26 26 ALA H H 26 7.444 7.444 7.616 -0.172 17840 2069 1 7 . 1 1 27 27 GLU N N 27 119.278 119.278 118.364 0.914 17840 2070 1 7 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.136 -1.339 17840 2071 1 7 . 1 1 27 27 GLU C C 27 177.131 177.131 178.909 -1.778 17840 2072 1 7 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.406 0.732 17840 2073 1 7 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.367 -0.140 17840 2074 1 7 . 1 1 27 27 GLU H H 27 8.121 8.121 7.603 0.518 17840 2075 1 7 . 1 1 28 28 LYS N N 28 115.377 115.377 119.831 -4.454 17840 2076 1 7 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.139 -0.499 17840 2077 1 7 . 1 1 28 28 LYS C C 28 178.640 178.640 178.908 -0.268 17840 2078 1 7 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.286 0.565 17840 2079 1 7 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.576 -0.170 17840 2080 1 7 . 1 1 28 28 LYS H H 28 6.847 6.847 8.233 -1.386 17840 2081 1 7 . 1 1 29 29 TYR N N 29 119.713 119.713 121.298 -1.585 17840 2082 1 7 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.090 0.019 17840 2083 1 7 . 1 1 29 29 TYR C C 29 177.619 177.619 177.910 -0.291 17840 2084 1 7 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.974 -0.702 17840 2085 1 7 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.297 -0.324 17840 2086 1 7 . 1 1 29 29 TYR H H 29 7.358 7.358 8.658 -1.300 17840 2087 1 7 . 1 1 30 30 PHE N N 30 117.565 117.565 117.651 -0.086 17840 2088 1 7 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.355 0.152 17840 2089 1 7 . 1 1 30 30 PHE C C 30 178.507 178.507 177.909 0.598 17840 2090 1 7 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.476 -2.914 17840 2091 1 7 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.797 -1.174 17840 2092 1 7 . 1 1 30 30 PHE H H 30 8.601 8.601 8.100 0.501 17840 2093 1 7 . 1 1 31 31 LYS N N 31 121.534 121.534 120.743 0.791 17840 2094 1 7 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.149 -0.131 17840 2095 1 7 . 1 1 31 31 LYS C C 31 178.751 178.751 179.307 -0.556 17840 2096 1 7 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.642 0.317 17840 2097 1 7 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.236 -0.531 17840 2098 1 7 . 1 1 31 31 LYS H H 31 8.310 8.310 7.756 0.554 17840 2099 1 7 . 1 1 32 32 LEU N N 32 118.368 118.368 120.923 -2.555 17840 2100 1 7 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.022 0.104 17840 2101 1 7 . 1 1 32 32 LEU C C 32 180.636 180.636 178.543 2.093 17840 2102 1 7 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.128 -0.038 17840 2103 1 7 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.086 -0.789 17840 2104 1 7 . 1 1 32 32 LEU H H 32 6.890 6.890 8.052 -1.162 17840 2105 1 7 . 1 1 33 33 ILE N N 33 118.866 118.866 119.645 -0.779 17840 2106 1 7 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.665 0.032 17840 2107 1 7 . 1 1 33 33 ILE C C 33 178.485 178.485 177.563 0.922 17840 2108 1 7 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.745 0.139 17840 2109 1 7 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.957 -0.443 17840 2110 1 7 . 1 1 33 33 ILE H H 33 6.985 6.985 7.755 -0.770 17840 2111 1 7 . 1 1 34 34 ALA N N 34 121.160 121.160 120.841 0.319 17840 2112 1 7 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.974 -0.035 17840 2113 1 7 . 1 1 34 34 ALA C C 34 179.372 179.372 179.607 -0.235 17840 2114 1 7 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.576 -0.343 17840 2115 1 7 . 1 1 34 34 ALA CB C 34 18.674 18.674 17.962 0.712 17840 2116 1 7 . 1 1 34 34 ALA H H 34 8.312 8.312 8.710 -0.398 17840 2117 1 7 . 1 1 35 35 ASN N N 35 116.166 116.166 114.410 1.756 17840 2118 1 7 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.699 -0.113 17840 2119 1 7 . 1 1 35 35 ASN C C 35 173.871 173.871 175.817 -1.946 17840 2120 1 7 . 1 1 35 35 ASN CA C 35 55.695 55.695 54.849 0.846 17840 2121 1 7 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.806 -0.675 17840 2122 1 7 . 1 1 35 35 ASN H H 35 8.222 8.222 7.856 0.366 17840 2123 1 7 . 1 1 36 36 ALA N N 36 121.269 121.269 120.045 1.224 17840 2124 1 7 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.392 -0.112 17840 2125 1 7 . 1 1 36 36 ALA C C 36 178.507 178.507 178.240 0.267 17840 2126 1 7 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.471 0.612 17840 2127 1 7 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.296 -0.385 17840 2128 1 7 . 1 1 36 36 ALA H H 36 7.397 7.397 7.809 -0.412 17840 2129 1 7 . 1 1 37 37 LYS N N 37 116.114 116.114 117.082 -0.968 17840 2130 1 7 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.467 -0.161 17840 2131 1 7 . 1 1 37 37 LYS C C 37 175.401 175.401 176.837 -1.436 17840 2132 1 7 . 1 1 37 37 LYS CA C 37 56.263 56.263 56.966 -0.703 17840 2133 1 7 . 1 1 37 37 LYS CB C 37 33.931 33.931 34.346 -0.415 17840 2134 1 7 . 1 1 37 37 LYS H H 37 7.371 7.371 8.143 -0.772 17840 2135 1 7 . 1 1 38 38 THR N N 38 113.187 113.187 114.181 -0.994 17840 2136 1 7 . 1 1 38 38 THR HA H 38 4.300 4.300 4.405 -0.105 17840 2137 1 7 . 1 1 38 38 THR C C 38 173.139 173.139 172.214 0.925 17840 2138 1 7 . 1 1 38 38 THR CA C 38 61.530 61.530 62.762 -1.232 17840 2139 1 7 . 1 1 38 38 THR CB C 38 69.468 69.468 69.701 -0.232 17840 2140 1 7 . 1 1 38 38 THR H H 38 7.812 7.812 7.931 -0.119 17840 2141 1 7 . 1 1 39 39 VAL N N 39 122.490 122.490 119.828 2.662 17840 2142 1 7 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.611 -0.359 17840 2143 1 7 . 1 1 39 39 VAL C C 39 174.869 174.869 174.222 0.647 17840 2144 1 7 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.256 0.254 17840 2145 1 7 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.384 0.277 17840 2146 1 7 . 1 1 39 39 VAL H H 39 8.091 8.091 7.969 0.122 17840 2147 1 7 . 1 1 40 40 GLU N N 40 124.998 124.998 125.238 -0.240 17840 2148 1 7 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.663 -0.119 17840 2149 1 7 . 1 1 40 40 GLU C C 40 174.913 174.913 175.729 -0.816 17840 2150 1 7 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.276 -0.879 17840 2151 1 7 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.483 0.014 17840 2152 1 7 . 1 1 40 40 GLU H H 40 8.479 8.479 8.796 -0.317 17840 2153 1 7 . 1 1 41 41 GLY N N 41 107.295 107.295 107.780 -0.485 17840 2154 1 7 . 1 1 41 41 GLY C C 41 174.558 174.558 172.958 1.600 17840 2155 1 7 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.599 0.702 17840 2156 1 7 . 1 1 41 41 GLY H H 41 7.868 7.868 7.753 0.115 17840 2157 1 7 . 1 1 42 42 VAL N N 42 120.789 120.789 120.531 0.258 17840 2158 1 7 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.536 -0.152 17840 2159 1 7 . 1 1 42 42 VAL C C 42 176.399 176.399 174.470 1.929 17840 2160 1 7 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.568 1.899 17840 2161 1 7 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.096 -0.703 17840 2162 1 7 . 1 1 42 42 VAL H H 42 8.087 8.087 8.095 -0.008 17840 2163 1 7 . 1 1 43 43 TRP N N 43 130.892 130.892 127.080 3.812 17840 2164 1 7 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.208 0.040 17840 2165 1 7 . 1 1 43 43 TRP C C 43 176.821 176.821 176.158 0.663 17840 2166 1 7 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.415 1.611 17840 2167 1 7 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.982 -1.207 17840 2168 1 7 . 1 1 43 43 TRP H H 43 9.224 9.224 8.572 0.652 17840 2169 1 7 . 1 1 44 44 THR N N 44 114.739 114.739 118.104 -3.365 17840 2170 1 7 . 1 1 44 44 THR HA H 44 4.802 4.802 4.842 -0.040 17840 2171 1 7 . 1 1 44 44 THR C C 44 171.963 171.963 172.494 -0.531 17840 2172 1 7 . 1 1 44 44 THR CA C 44 60.996 60.996 60.307 0.689 17840 2173 1 7 . 1 1 44 44 THR CB C 44 72.649 72.649 71.446 1.203 17840 2174 1 7 . 1 1 44 44 THR H H 44 9.093 9.093 9.286 -0.193 17840 2175 1 7 . 1 1 45 45 TYR N N 45 121.068 121.068 124.861 -3.793 17840 2176 1 7 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.001 0.003 17840 2177 1 7 . 1 1 45 45 TYR C C 45 173.472 173.472 174.460 -0.988 17840 2178 1 7 . 1 1 45 45 TYR CA C 45 57.084 57.084 56.900 0.184 17840 2179 1 7 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.034 -0.800 17840 2180 1 7 . 1 1 45 45 TYR H H 45 8.474 8.474 8.680 -0.206 17840 2181 1 7 . 1 1 46 46 LYS N N 46 128.497 128.497 124.389 4.108 17840 2182 1 7 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.482 -0.149 17840 2183 1 7 . 1 1 46 46 LYS C C 46 174.847 174.847 175.004 -0.157 17840 2184 1 7 . 1 1 46 46 LYS CA C 46 53.972 53.972 55.063 -1.091 17840 2185 1 7 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.428 -0.581 17840 2186 1 7 . 1 1 46 46 LYS H H 46 7.144 7.144 7.374 -0.230 17840 2187 1 7 . 1 1 47 47 ASP N N 47 126.400 126.400 126.055 0.345 17840 2188 1 7 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.418 -0.414 17840 2189 1 7 . 1 1 47 47 ASP C C 47 179.191 179.191 176.675 2.516 17840 2190 1 7 . 1 1 47 47 ASP CA C 47 57.428 57.428 55.422 2.006 17840 2191 1 7 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.368 0.920 17840 2192 1 7 . 1 1 47 47 ASP H H 47 8.513 8.513 8.744 -0.231 17840 2193 1 7 . 1 1 48 48 GLU N N 48 118.126 118.126 118.565 -0.439 17840 2194 1 7 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.082 -0.009 17840 2195 1 7 . 1 1 48 48 GLU C C 48 176.976 176.976 176.815 0.161 17840 2196 1 7 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.287 1.753 17840 2197 1 7 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.922 -1.266 17840 2198 1 7 . 1 1 48 48 GLU H H 48 9.618 9.618 8.254 1.364 17840 2199 1 7 . 1 1 49 49 ILE N N 49 105.335 105.335 110.450 -5.115 17840 2200 1 7 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.309 0.310 17840 2201 1 7 . 1 1 49 49 ILE C C 49 175.290 175.290 174.287 1.003 17840 2202 1 7 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.642 0.747 17840 2203 1 7 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.911 0.430 17840 2204 1 7 . 1 1 49 49 ILE H H 49 6.187 6.187 7.330 -1.143 17840 2205 1 7 . 1 1 50 50 LYS N N 50 124.144 124.144 118.596 5.548 17840 2206 1 7 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.574 0.599 17840 2207 1 7 . 1 1 50 50 LYS C C 50 174.159 174.159 174.341 -0.182 17840 2208 1 7 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.980 -1.064 17840 2209 1 7 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.860 0.489 17840 2210 1 7 . 1 1 50 50 LYS H H 50 7.659 7.659 7.709 -0.050 17840 2211 1 7 . 1 1 51 51 THR N N 51 109.166 109.166 116.413 -7.247 17840 2212 1 7 . 1 1 51 51 THR HA H 51 5.650 5.650 5.091 0.559 17840 2213 1 7 . 1 1 51 51 THR C C 51 173.405 173.405 172.966 0.439 17840 2214 1 7 . 1 1 51 51 THR CA C 51 62.262 62.262 61.419 0.843 17840 2215 1 7 . 1 1 51 51 THR CB C 51 73.271 73.271 71.140 2.131 17840 2216 1 7 . 1 1 51 51 THR H H 51 6.843 6.843 7.267 -0.424 17840 2217 1 7 . 1 1 52 52 PHE N N 52 130.917 130.917 127.805 3.112 17840 2218 1 7 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.951 0.608 17840 2219 1 7 . 1 1 52 52 PHE C C 52 173.627 173.627 174.657 -1.030 17840 2220 1 7 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.782 0.488 17840 2221 1 7 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.818 0.337 17840 2222 1 7 . 1 1 52 52 PHE H H 52 10.025 10.025 8.685 1.340 17840 2223 1 7 . 1 1 53 53 THR N N 53 117.627 117.627 114.945 2.682 17840 2224 1 7 . 1 1 53 53 THR HA H 53 5.217 5.217 4.593 0.624 17840 2225 1 7 . 1 1 53 53 THR C C 53 171.586 171.586 172.719 -1.133 17840 2226 1 7 . 1 1 53 53 THR CA C 53 61.724 61.724 60.787 0.937 17840 2227 1 7 . 1 1 53 53 THR CB C 53 70.567 70.567 71.475 -0.908 17840 2228 1 7 . 1 1 53 53 THR H H 53 8.927 8.927 9.448 -0.521 17840 2229 1 7 . 1 1 54 54 VAL N N 54 124.587 124.587 125.313 -0.726 17840 2230 1 7 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.246 0.181 17840 2231 1 7 . 1 1 54 54 VAL C C 54 172.873 172.873 175.650 -2.777 17840 2232 1 7 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.288 -0.669 17840 2233 1 7 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.150 1.512 17840 2234 1 7 . 1 1 54 54 VAL H H 54 8.302 8.302 7.990 0.312 17840 2235 1 7 . 1 1 55 55 THR N N 55 124.116 124.116 124.027 0.089 17840 2236 1 7 . 1 1 55 55 THR HA H 55 4.769 4.769 4.970 -0.201 17840 2237 1 7 . 1 1 55 55 THR C C 55 173.294 173.294 174.216 -0.922 17840 2238 1 7 . 1 1 55 55 THR CA C 55 61.698 61.698 60.542 1.156 17840 2239 1 7 . 1 1 55 55 THR CB C 55 71.382 71.382 70.525 0.857 17840 2240 1 7 . 1 1 55 55 THR H H 55 8.229 8.229 8.410 -0.181 17840 2241 1 8 . 1 1 2 2 THR N N 2 123.900 123.900 116.915 6.985 17840 2242 1 8 . 1 1 2 2 THR HA H 2 4.311 4.311 4.623 -0.312 17840 2243 1 8 . 1 1 2 2 THR C C 2 172.130 172.130 173.489 -1.359 17840 2244 1 8 . 1 1 2 2 THR CA C 2 63.855 63.855 61.959 1.896 17840 2245 1 8 . 1 1 2 2 THR CB C 2 68.688 68.688 68.884 -0.196 17840 2246 1 8 . 1 1 2 2 THR H H 2 8.670 8.670 8.277 0.393 17840 2247 1 8 . 1 1 3 3 TYR N N 3 127.206 127.206 127.147 0.059 17840 2248 1 8 . 1 1 3 3 TYR HA H 3 5.361 5.361 4.931 0.430 17840 2249 1 8 . 1 1 3 3 TYR C C 3 173.427 173.427 175.741 -2.314 17840 2250 1 8 . 1 1 3 3 TYR CA C 3 57.953 57.953 58.308 -0.355 17840 2251 1 8 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.352 0.756 17840 2252 1 8 . 1 1 3 3 TYR H H 3 8.657 8.657 9.090 -0.433 17840 2253 1 8 . 1 1 4 4 LYS N N 4 120.377 120.377 121.815 -1.438 17840 2254 1 8 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.395 0.006 17840 2255 1 8 . 1 1 4 4 LYS C C 4 172.296 172.296 174.462 -2.166 17840 2256 1 8 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.937 -0.277 17840 2257 1 8 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.956 -1.006 17840 2258 1 8 . 1 1 4 4 LYS H H 4 8.599 8.599 8.321 0.278 17840 2259 1 8 . 1 1 5 5 LEU N N 5 126.484 126.484 121.364 5.120 17840 2260 1 8 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.447 -0.424 17840 2261 1 8 . 1 1 5 5 LEU C C 5 174.359 174.359 174.997 -0.638 17840 2262 1 8 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.727 -1.190 17840 2263 1 8 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.629 -2.467 17840 2264 1 8 . 1 1 5 5 LEU H H 5 8.781 8.781 8.349 0.432 17840 2265 1 8 . 1 1 6 6 ILE N N 6 126.235 126.235 122.781 3.454 17840 2266 1 8 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.951 -0.583 17840 2267 1 8 . 1 1 6 6 ILE C C 6 173.982 173.982 174.773 -0.791 17840 2268 1 8 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.862 0.600 17840 2269 1 8 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.331 -0.615 17840 2270 1 8 . 1 1 6 6 ILE H H 6 8.895 8.895 8.129 0.766 17840 2271 1 8 . 1 1 7 7 LEU N N 7 125.986 125.986 128.686 -2.700 17840 2272 1 8 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.659 -0.262 17840 2273 1 8 . 1 1 7 7 LEU C C 7 173.915 173.915 176.188 -2.273 17840 2274 1 8 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.846 -0.217 17840 2275 1 8 . 1 1 7 7 LEU CB C 7 41.312 41.312 42.368 -1.056 17840 2276 1 8 . 1 1 7 7 LEU H H 7 8.627 8.627 7.911 0.716 17840 2277 1 8 . 1 1 8 8 ASN N N 8 125.244 125.244 124.399 0.845 17840 2278 1 8 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.054 0.016 17840 2279 1 8 . 1 1 8 8 ASN C C 8 173.960 173.960 173.946 0.014 17840 2280 1 8 . 1 1 8 8 ASN CA C 8 51.813 51.813 53.202 -1.389 17840 2281 1 8 . 1 1 8 8 ASN CB C 8 37.862 37.862 39.370 -1.508 17840 2282 1 8 . 1 1 8 8 ASN H H 8 8.762 8.762 8.704 0.058 17840 2283 1 8 . 1 1 9 9 LEU N N 9 121.294 121.294 123.495 -2.201 17840 2284 1 8 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.622 0.011 17840 2285 1 8 . 1 1 9 9 LEU C C 9 176.821 176.821 176.269 0.552 17840 2286 1 8 . 1 1 9 9 LEU CA C 9 53.418 53.418 54.346 -0.928 17840 2287 1 8 . 1 1 9 9 LEU CB C 9 41.422 41.422 46.323 -4.901 17840 2288 1 8 . 1 1 9 9 LEU H H 9 7.409 7.409 8.227 -0.818 17840 2289 1 8 . 1 1 10 10 LYS N N 10 120.567 120.567 118.502 2.065 17840 2290 1 8 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.918 0.018 17840 2291 1 8 . 1 1 10 10 LYS C C 10 179.217 179.217 176.819 2.398 17840 2292 1 8 . 1 1 10 10 LYS CA C 10 59.712 59.712 58.911 0.801 17840 2293 1 8 . 1 1 10 10 LYS CB C 10 31.806 31.806 31.760 0.046 17840 2294 1 8 . 1 1 10 10 LYS H H 10 8.935 8.935 8.672 0.263 17840 2295 1 8 . 1 1 11 11 GLN N N 11 112.875 112.875 118.546 -5.671 17840 2296 1 8 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.325 -0.014 17840 2297 1 8 . 1 1 11 11 GLN C C 11 174.891 174.891 175.256 -0.365 17840 2298 1 8 . 1 1 11 11 GLN CA C 11 55.966 55.966 56.176 -0.210 17840 2299 1 8 . 1 1 11 11 GLN CB C 11 29.158 29.158 31.000 -1.842 17840 2300 1 8 . 1 1 11 11 GLN H H 11 8.296 8.296 8.518 -0.222 17840 2301 1 8 . 1 1 12 12 ALA N N 12 119.661 119.661 121.711 -2.050 17840 2302 1 8 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.574 -0.249 17840 2303 1 8 . 1 1 12 12 ALA C C 12 173.760 173.760 175.416 -1.656 17840 2304 1 8 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.416 1.093 17840 2305 1 8 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.631 0.781 17840 2306 1 8 . 1 1 12 12 ALA H H 12 6.849 6.849 8.077 -1.228 17840 2307 1 8 . 1 1 13 13 LYS N N 13 119.342 119.342 117.895 1.447 17840 2308 1 8 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.202 0.069 17840 2309 1 8 . 1 1 13 13 LYS C C 13 175.801 175.801 175.374 0.427 17840 2310 1 8 . 1 1 13 13 LYS CA C 13 55.135 55.135 54.470 0.665 17840 2311 1 8 . 1 1 13 13 LYS CB C 13 33.692 33.692 34.675 -0.983 17840 2312 1 8 . 1 1 13 13 LYS H H 13 8.050 8.050 8.145 -0.095 17840 2313 1 8 . 1 1 14 14 GLU N N 14 123.266 123.266 119.741 3.525 17840 2314 1 8 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.588 0.151 17840 2315 1 8 . 1 1 14 14 GLU C C 14 173.316 173.316 174.585 -1.269 17840 2316 1 8 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.477 -0.635 17840 2317 1 8 . 1 1 14 14 GLU CB C 14 34.360 34.360 33.056 1.304 17840 2318 1 8 . 1 1 14 14 GLU H H 14 8.327 8.327 8.905 -0.578 17840 2319 1 8 . 1 1 15 15 GLU N N 15 119.898 119.898 120.151 -0.253 17840 2320 1 8 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.506 0.003 17840 2321 1 8 . 1 1 15 15 GLU C C 15 174.270 174.270 174.978 -0.708 17840 2322 1 8 . 1 1 15 15 GLU CA C 15 54.655 54.655 54.842 -0.187 17840 2323 1 8 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.634 0.397 17840 2324 1 8 . 1 1 15 15 GLU H H 15 8.386 8.386 8.500 -0.114 17840 2325 1 8 . 1 1 16 16 ALA N N 16 125.415 125.415 125.856 -0.441 17840 2326 1 8 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.882 -0.008 17840 2327 1 8 . 1 1 16 16 ALA C C 16 174.403 174.403 174.826 -0.423 17840 2328 1 8 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.041 -0.678 17840 2329 1 8 . 1 1 16 16 ALA CB C 16 22.496 22.496 22.307 0.189 17840 2330 1 8 . 1 1 16 16 ALA H H 16 8.911 8.911 8.373 0.538 17840 2331 1 8 . 1 1 17 17 ILE N N 17 117.476 117.476 119.883 -2.407 17840 2332 1 8 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.313 0.155 17840 2333 1 8 . 1 1 17 17 ILE C C 17 175.712 175.712 175.132 0.580 17840 2334 1 8 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.281 -0.408 17840 2335 1 8 . 1 1 17 17 ILE CB C 17 42.163 42.163 41.549 0.614 17840 2336 1 8 . 1 1 17 17 ILE H H 17 8.329 8.329 8.497 -0.168 17840 2337 1 8 . 1 1 18 18 LYS N N 18 125.884 125.884 126.754 -0.870 17840 2338 1 8 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.548 -0.128 17840 2339 1 8 . 1 1 18 18 LYS C C 18 172.873 172.873 174.703 -1.830 17840 2340 1 8 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.087 0.032 17840 2341 1 8 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.304 1.925 17840 2342 1 8 . 1 1 18 18 LYS H H 18 9.050 9.050 8.730 0.320 17840 2343 1 8 . 1 1 19 19 GLU N N 19 128.105 128.105 128.399 -0.294 17840 2344 1 8 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.035 -0.062 17840 2345 1 8 . 1 1 19 19 GLU C C 19 175.135 175.135 175.438 -0.303 17840 2346 1 8 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.884 -0.484 17840 2347 1 8 . 1 1 19 19 GLU CB C 19 29.316 29.316 30.143 -0.827 17840 2348 1 8 . 1 1 19 19 GLU H H 19 8.241 8.241 8.731 -0.490 17840 2349 1 8 . 1 1 20 20 LEU N N 20 127.206 127.206 127.277 -0.071 17840 2350 1 8 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.635 -0.420 17840 2351 1 8 . 1 1 20 20 LEU C C 20 177.531 177.531 176.932 0.599 17840 2352 1 8 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.739 -0.533 17840 2353 1 8 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.435 1.249 17840 2354 1 8 . 1 1 20 20 LEU H H 20 8.563 8.563 8.378 0.185 17840 2355 1 8 . 1 1 21 21 VAL N N 21 116.204 116.204 116.062 0.142 17840 2356 1 8 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.076 -0.062 17840 2357 1 8 . 1 1 21 21 VAL C C 21 175.002 175.002 176.482 -1.480 17840 2358 1 8 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.269 1.065 17840 2359 1 8 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.325 -0.398 17840 2360 1 8 . 1 1 21 21 VAL H H 21 8.094 8.094 8.529 -0.435 17840 2361 1 8 . 1 1 22 22 ASP N N 22 114.375 114.375 119.877 -5.502 17840 2362 1 8 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.877 -0.039 17840 2363 1 8 . 1 1 22 22 ASP C C 22 174.536 174.536 175.095 -0.559 17840 2364 1 8 . 1 1 22 22 ASP CA C 22 53.147 53.147 53.198 -0.051 17840 2365 1 8 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.668 -0.976 17840 2366 1 8 . 1 1 22 22 ASP H H 22 6.862 6.862 7.944 -1.082 17840 2367 1 8 . 1 1 23 23 ALA N N 23 121.084 121.084 119.876 1.208 17840 2368 1 8 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.792 -1.792 17840 2369 1 8 . 1 1 23 23 ALA C C 23 180.082 180.082 178.624 1.458 17840 2370 1 8 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.629 2.214 17840 2371 1 8 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.918 -2.298 17840 2372 1 8 . 1 1 23 23 ALA H H 23 8.389 8.389 8.339 0.050 17840 2373 1 8 . 1 1 24 24 GLY N N 24 108.035 108.035 108.733 -0.698 17840 2374 1 8 . 1 1 24 24 GLY C C 24 176.910 176.910 175.536 1.374 17840 2375 1 8 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.869 0.164 17840 2376 1 8 . 1 1 24 24 GLY H H 24 8.391 8.391 8.389 0.002 17840 2377 1 8 . 1 1 25 25 THR N N 25 120.237 120.237 116.646 3.591 17840 2378 1 8 . 1 1 25 25 THR HA H 25 4.000 4.000 4.175 -0.175 17840 2379 1 8 . 1 1 25 25 THR C C 25 176.555 176.555 176.759 -0.204 17840 2380 1 8 . 1 1 25 25 THR CA C 25 66.900 66.900 65.079 1.821 17840 2381 1 8 . 1 1 25 25 THR CB C 25 68.095 68.095 68.691 -0.596 17840 2382 1 8 . 1 1 25 25 THR H H 25 8.071 8.071 8.259 -0.188 17840 2383 1 8 . 1 1 26 26 ALA N N 26 124.685 124.685 122.914 1.771 17840 2384 1 8 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.274 -0.813 17840 2385 1 8 . 1 1 26 26 ALA C C 26 175.734 175.734 179.123 -3.389 17840 2386 1 8 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.562 -1.719 17840 2387 1 8 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.233 -0.831 17840 2388 1 8 . 1 1 26 26 ALA H H 26 7.444 7.444 8.112 -0.668 17840 2389 1 8 . 1 1 27 27 GLU N N 27 119.278 119.278 119.042 0.236 17840 2390 1 8 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.209 -1.412 17840 2391 1 8 . 1 1 27 27 GLU C C 27 177.131 177.131 178.846 -1.715 17840 2392 1 8 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.070 1.067 17840 2393 1 8 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.172 0.055 17840 2394 1 8 . 1 1 27 27 GLU H H 27 8.121 8.121 7.536 0.585 17840 2395 1 8 . 1 1 28 28 LYS N N 28 115.377 115.377 120.119 -4.742 17840 2396 1 8 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.039 -0.399 17840 2397 1 8 . 1 1 28 28 LYS C C 28 178.640 178.640 178.765 -0.125 17840 2398 1 8 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.350 0.501 17840 2399 1 8 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.566 -0.160 17840 2400 1 8 . 1 1 28 28 LYS H H 28 6.847 6.847 8.588 -1.741 17840 2401 1 8 . 1 1 29 29 TYR N N 29 119.713 119.713 120.664 -0.951 17840 2402 1 8 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.090 0.019 17840 2403 1 8 . 1 1 29 29 TYR C C 29 177.619 177.619 177.558 0.061 17840 2404 1 8 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.484 -0.211 17840 2405 1 8 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.447 -0.472 17840 2406 1 8 . 1 1 29 29 TYR H H 29 7.358 7.358 7.706 -0.348 17840 2407 1 8 . 1 1 30 30 PHE N N 30 117.565 117.565 117.984 -0.419 17840 2408 1 8 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.214 0.293 17840 2409 1 8 . 1 1 30 30 PHE C C 30 178.507 178.507 177.915 0.592 17840 2410 1 8 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.939 -3.377 17840 2411 1 8 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.699 -1.076 17840 2412 1 8 . 1 1 30 30 PHE H H 30 8.601 8.601 7.953 0.648 17840 2413 1 8 . 1 1 31 31 LYS N N 31 121.534 121.534 120.119 1.415 17840 2414 1 8 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.169 -0.151 17840 2415 1 8 . 1 1 31 31 LYS C C 31 178.751 178.751 179.062 -0.311 17840 2416 1 8 . 1 1 31 31 LYS CA C 31 59.959 59.959 60.024 -0.065 17840 2417 1 8 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.135 -0.431 17840 2418 1 8 . 1 1 31 31 LYS H H 31 8.310 8.310 7.589 0.721 17840 2419 1 8 . 1 1 32 32 LEU N N 32 118.368 118.368 120.832 -2.464 17840 2420 1 8 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.963 0.163 17840 2421 1 8 . 1 1 32 32 LEU C C 32 180.636 180.636 178.963 1.673 17840 2422 1 8 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.353 -0.263 17840 2423 1 8 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.873 -0.576 17840 2424 1 8 . 1 1 32 32 LEU H H 32 6.890 6.890 7.506 -0.617 17840 2425 1 8 . 1 1 33 33 ILE N N 33 118.866 118.866 119.216 -0.350 17840 2426 1 8 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.544 0.153 17840 2427 1 8 . 1 1 33 33 ILE C C 33 178.485 178.485 177.459 1.026 17840 2428 1 8 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.599 0.285 17840 2429 1 8 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.624 -0.110 17840 2430 1 8 . 1 1 33 33 ILE H H 33 6.985 6.985 7.494 -0.509 17840 2431 1 8 . 1 1 34 34 ALA N N 34 121.160 121.160 122.346 -1.186 17840 2432 1 8 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.886 0.053 17840 2433 1 8 . 1 1 34 34 ALA C C 34 179.372 179.372 179.512 -0.140 17840 2434 1 8 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.705 -0.472 17840 2435 1 8 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.160 0.514 17840 2436 1 8 . 1 1 34 34 ALA H H 34 8.312 8.312 8.488 -0.176 17840 2437 1 8 . 1 1 35 35 ASN N N 35 116.166 116.166 116.291 -0.125 17840 2438 1 8 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.456 0.130 17840 2439 1 8 . 1 1 35 35 ASN C C 35 173.871 173.871 177.042 -3.171 17840 2440 1 8 . 1 1 35 35 ASN CA C 35 55.695 55.695 56.267 -0.572 17840 2441 1 8 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.648 -0.517 17840 2442 1 8 . 1 1 35 35 ASN H H 35 8.222 8.222 8.154 0.068 17840 2443 1 8 . 1 1 36 36 ALA N N 36 121.269 121.269 119.549 1.720 17840 2444 1 8 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.364 -0.084 17840 2445 1 8 . 1 1 36 36 ALA C C 36 178.507 178.507 177.943 0.564 17840 2446 1 8 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.342 0.741 17840 2447 1 8 . 1 1 36 36 ALA CB C 36 18.911 18.911 18.967 -0.056 17840 2448 1 8 . 1 1 36 36 ALA H H 36 7.397 7.397 7.451 -0.054 17840 2449 1 8 . 1 1 37 37 LYS N N 37 116.114 116.114 118.079 -1.965 17840 2450 1 8 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.280 0.026 17840 2451 1 8 . 1 1 37 37 LYS C C 37 175.401 175.401 177.256 -1.855 17840 2452 1 8 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.944 -1.681 17840 2453 1 8 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.542 0.389 17840 2454 1 8 . 1 1 37 37 LYS H H 37 7.371 7.371 7.932 -0.561 17840 2455 1 8 . 1 1 38 38 THR N N 38 113.187 113.187 112.886 0.301 17840 2456 1 8 . 1 1 38 38 THR HA H 38 4.300 4.300 4.478 -0.178 17840 2457 1 8 . 1 1 38 38 THR C C 38 173.139 173.139 172.325 0.814 17840 2458 1 8 . 1 1 38 38 THR CA C 38 61.530 61.530 62.260 -0.730 17840 2459 1 8 . 1 1 38 38 THR CB C 38 69.468 69.468 69.530 -0.062 17840 2460 1 8 . 1 1 38 38 THR H H 38 7.812 7.812 7.934 -0.122 17840 2461 1 8 . 1 1 39 39 VAL N N 39 122.490 122.490 125.922 -3.432 17840 2462 1 8 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.337 -0.085 17840 2463 1 8 . 1 1 39 39 VAL C C 39 174.869 174.869 174.584 0.285 17840 2464 1 8 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.056 0.454 17840 2465 1 8 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.977 -1.316 17840 2466 1 8 . 1 1 39 39 VAL H H 39 8.091 8.091 8.228 -0.137 17840 2467 1 8 . 1 1 40 40 GLU N N 40 124.998 124.998 127.022 -2.024 17840 2468 1 8 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.479 0.065 17840 2469 1 8 . 1 1 40 40 GLU C C 40 174.913 174.913 175.496 -0.583 17840 2470 1 8 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.543 -1.146 17840 2471 1 8 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.789 -0.292 17840 2472 1 8 . 1 1 40 40 GLU H H 40 8.479 8.479 8.811 -0.332 17840 2473 1 8 . 1 1 41 41 GLY N N 41 107.295 107.295 107.881 -0.586 17840 2474 1 8 . 1 1 41 41 GLY C C 41 174.558 174.558 172.973 1.585 17840 2475 1 8 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.624 0.677 17840 2476 1 8 . 1 1 41 41 GLY H H 41 7.868 7.868 7.831 0.037 17840 2477 1 8 . 1 1 42 42 VAL N N 42 120.789 120.789 120.534 0.255 17840 2478 1 8 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.408 -0.024 17840 2479 1 8 . 1 1 42 42 VAL C C 42 176.399 176.399 174.709 1.690 17840 2480 1 8 . 1 1 42 42 VAL CA C 42 62.467 62.467 61.013 1.454 17840 2481 1 8 . 1 1 42 42 VAL CB C 42 33.393 33.393 33.689 -0.296 17840 2482 1 8 . 1 1 42 42 VAL H H 42 8.087 8.087 7.897 0.190 17840 2483 1 8 . 1 1 43 43 TRP N N 43 130.892 130.892 127.545 3.347 17840 2484 1 8 . 1 1 43 43 TRP HA H 43 5.248 5.248 4.954 0.294 17840 2485 1 8 . 1 1 43 43 TRP C C 43 176.821 176.821 175.878 0.943 17840 2486 1 8 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.706 1.320 17840 2487 1 8 . 1 1 43 43 TRP CB C 43 29.775 29.775 29.851 -0.076 17840 2488 1 8 . 1 1 43 43 TRP H H 43 9.224 9.224 8.644 0.580 17840 2489 1 8 . 1 1 44 44 THR N N 44 114.739 114.739 120.801 -6.062 17840 2490 1 8 . 1 1 44 44 THR HA H 44 4.802 4.802 4.700 0.102 17840 2491 1 8 . 1 1 44 44 THR C C 44 171.963 171.963 173.275 -1.312 17840 2492 1 8 . 1 1 44 44 THR CA C 44 60.996 60.996 61.433 -0.437 17840 2493 1 8 . 1 1 44 44 THR CB C 44 72.649 72.649 70.795 1.854 17840 2494 1 8 . 1 1 44 44 THR H H 44 9.093 9.093 8.416 0.677 17840 2495 1 8 . 1 1 45 45 TYR N N 45 121.068 121.068 126.670 -5.602 17840 2496 1 8 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.590 0.414 17840 2497 1 8 . 1 1 45 45 TYR C C 45 173.472 173.472 174.091 -0.619 17840 2498 1 8 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.688 -0.604 17840 2499 1 8 . 1 1 45 45 TYR CB C 45 41.234 41.234 40.777 0.457 17840 2500 1 8 . 1 1 45 45 TYR H H 45 8.474 8.474 8.739 -0.265 17840 2501 1 8 . 1 1 46 46 LYS N N 46 128.497 128.497 125.696 2.801 17840 2502 1 8 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.395 -0.062 17840 2503 1 8 . 1 1 46 46 LYS C C 46 174.847 174.847 175.138 -0.291 17840 2504 1 8 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.372 -0.400 17840 2505 1 8 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.739 -0.892 17840 2506 1 8 . 1 1 46 46 LYS H H 46 7.144 7.144 8.359 -1.215 17840 2507 1 8 . 1 1 47 47 ASP N N 47 126.400 126.400 124.709 1.691 17840 2508 1 8 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.551 -0.547 17840 2509 1 8 . 1 1 47 47 ASP C C 47 179.191 179.191 175.696 3.495 17840 2510 1 8 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.412 3.016 17840 2511 1 8 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.229 1.059 17840 2512 1 8 . 1 1 47 47 ASP H H 47 8.513 8.513 8.674 -0.161 17840 2513 1 8 . 1 1 48 48 GLU N N 48 118.126 118.126 121.316 -3.190 17840 2514 1 8 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.226 -0.153 17840 2515 1 8 . 1 1 48 48 GLU C C 48 176.976 176.976 175.616 1.360 17840 2516 1 8 . 1 1 48 48 GLU CA C 48 60.040 60.040 56.168 3.872 17840 2517 1 8 . 1 1 48 48 GLU CB C 48 28.657 28.657 28.024 0.633 17840 2518 1 8 . 1 1 48 48 GLU H H 48 9.618 9.618 8.163 1.455 17840 2519 1 8 . 1 1 49 49 ILE N N 49 105.335 105.335 118.527 -13.192 17840 2520 1 8 . 1 1 49 49 ILE HA H 49 4.619 4.619 3.640 0.979 17840 2521 1 8 . 1 1 49 49 ILE C C 49 175.290 175.290 174.286 1.004 17840 2522 1 8 . 1 1 49 49 ILE CA C 49 60.389 60.389 61.063 -0.674 17840 2523 1 8 . 1 1 49 49 ILE CB C 49 38.341 38.341 34.911 3.430 17840 2524 1 8 . 1 1 49 49 ILE H H 49 6.187 6.187 8.300 -2.113 17840 2525 1 8 . 1 1 50 50 LYS N N 50 124.144 124.144 117.003 7.141 17840 2526 1 8 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.689 0.484 17840 2527 1 8 . 1 1 50 50 LYS C C 50 174.159 174.159 174.635 -0.476 17840 2528 1 8 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.965 -1.049 17840 2529 1 8 . 1 1 50 50 LYS CB C 50 29.349 29.349 30.334 -0.985 17840 2530 1 8 . 1 1 50 50 LYS H H 50 7.659 7.659 8.349 -0.690 17840 2531 1 8 . 1 1 51 51 THR N N 51 109.166 109.166 117.623 -8.457 17840 2532 1 8 . 1 1 51 51 THR HA H 51 5.650 5.650 4.905 0.745 17840 2533 1 8 . 1 1 51 51 THR C C 51 173.405 173.405 172.595 0.810 17840 2534 1 8 . 1 1 51 51 THR CA C 51 62.262 62.262 61.827 0.435 17840 2535 1 8 . 1 1 51 51 THR CB C 51 73.271 73.271 70.621 2.650 17840 2536 1 8 . 1 1 51 51 THR H H 51 6.843 6.843 7.357 -0.514 17840 2537 1 8 . 1 1 52 52 PHE N N 52 130.917 130.917 127.599 3.318 17840 2538 1 8 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.689 0.870 17840 2539 1 8 . 1 1 52 52 PHE C C 52 173.627 173.627 174.359 -0.732 17840 2540 1 8 . 1 1 52 52 PHE CA C 52 57.270 57.270 57.929 -0.659 17840 2541 1 8 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.532 0.623 17840 2542 1 8 . 1 1 52 52 PHE H H 52 10.025 10.025 8.677 1.348 17840 2543 1 8 . 1 1 53 53 THR N N 53 117.627 117.627 115.101 2.526 17840 2544 1 8 . 1 1 53 53 THR HA H 53 5.217 5.217 4.749 0.468 17840 2545 1 8 . 1 1 53 53 THR C C 53 171.586 171.586 172.847 -1.261 17840 2546 1 8 . 1 1 53 53 THR CA C 53 61.724 61.724 60.671 1.053 17840 2547 1 8 . 1 1 53 53 THR CB C 53 70.567 70.567 71.376 -0.809 17840 2548 1 8 . 1 1 53 53 THR H H 53 8.927 8.927 9.094 -0.167 17840 2549 1 8 . 1 1 54 54 VAL N N 54 124.587 124.587 124.008 0.579 17840 2550 1 8 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.076 0.351 17840 2551 1 8 . 1 1 54 54 VAL C C 54 172.873 172.873 175.678 -2.805 17840 2552 1 8 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.340 -0.721 17840 2553 1 8 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.761 0.901 17840 2554 1 8 . 1 1 54 54 VAL H H 54 8.302 8.302 8.116 0.186 17840 2555 1 8 . 1 1 55 55 THR N N 55 124.116 124.116 122.260 1.856 17840 2556 1 8 . 1 1 55 55 THR HA H 55 4.769 4.769 4.820 -0.051 17840 2557 1 8 . 1 1 55 55 THR C C 55 173.294 173.294 174.084 -0.790 17840 2558 1 8 . 1 1 55 55 THR CA C 55 61.698 61.698 60.505 1.193 17840 2559 1 8 . 1 1 55 55 THR CB C 55 71.382 71.382 69.818 1.564 17840 2560 1 8 . 1 1 55 55 THR H H 55 8.229 8.229 8.237 -0.008 17840 2561 1 9 . 1 1 2 2 THR N N 2 123.900 123.900 119.431 4.469 17840 2562 1 9 . 1 1 2 2 THR HA H 2 4.311 4.311 4.301 0.010 17840 2563 1 9 . 1 1 2 2 THR C C 2 172.130 172.130 173.541 -1.411 17840 2564 1 9 . 1 1 2 2 THR CA C 2 63.855 63.855 62.636 1.219 17840 2565 1 9 . 1 1 2 2 THR CB C 2 68.688 68.688 69.428 -0.740 17840 2566 1 9 . 1 1 2 2 THR H H 2 8.670 8.670 8.230 0.440 17840 2567 1 9 . 1 1 3 3 TYR N N 3 127.206 127.206 128.127 -0.921 17840 2568 1 9 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.328 0.033 17840 2569 1 9 . 1 1 3 3 TYR C C 3 173.427 173.427 174.531 -1.104 17840 2570 1 9 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.264 0.689 17840 2571 1 9 . 1 1 3 3 TYR CB C 3 43.108 43.108 43.140 -0.032 17840 2572 1 9 . 1 1 3 3 TYR H H 3 8.657 8.657 8.664 -0.007 17840 2573 1 9 . 1 1 4 4 LYS N N 4 120.377 120.377 122.193 -1.816 17840 2574 1 9 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.478 -0.077 17840 2575 1 9 . 1 1 4 4 LYS C C 4 172.296 172.296 174.144 -1.848 17840 2576 1 9 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.583 0.077 17840 2577 1 9 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.669 -1.719 17840 2578 1 9 . 1 1 4 4 LYS H H 4 8.599 8.599 8.606 -0.007 17840 2579 1 9 . 1 1 5 5 LEU N N 5 126.484 126.484 122.393 4.091 17840 2580 1 9 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.399 -0.376 17840 2581 1 9 . 1 1 5 5 LEU C C 5 174.359 174.359 174.647 -0.288 17840 2582 1 9 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.080 -0.543 17840 2583 1 9 . 1 1 5 5 LEU CB C 5 44.162 44.162 45.409 -1.247 17840 2584 1 9 . 1 1 5 5 LEU H H 5 8.781 8.781 8.836 -0.055 17840 2585 1 9 . 1 1 6 6 ILE N N 6 126.235 126.235 122.963 3.272 17840 2586 1 9 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.698 -0.330 17840 2587 1 9 . 1 1 6 6 ILE C C 6 173.982 173.982 174.710 -0.728 17840 2588 1 9 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.914 0.548 17840 2589 1 9 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.605 -0.889 17840 2590 1 9 . 1 1 6 6 ILE H H 6 8.895 8.895 8.343 0.552 17840 2591 1 9 . 1 1 7 7 LEU N N 7 125.986 125.986 127.678 -1.692 17840 2592 1 9 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.653 -0.256 17840 2593 1 9 . 1 1 7 7 LEU C C 7 173.915 173.915 175.290 -1.375 17840 2594 1 9 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.944 -0.315 17840 2595 1 9 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.882 -2.570 17840 2596 1 9 . 1 1 7 7 LEU H H 7 8.627 8.627 7.570 1.057 17840 2597 1 9 . 1 1 8 8 ASN N N 8 125.244 125.244 121.007 4.237 17840 2598 1 9 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.043 0.027 17840 2599 1 9 . 1 1 8 8 ASN C C 8 173.960 173.960 173.779 0.181 17840 2600 1 9 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.911 -1.098 17840 2601 1 9 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.930 -3.068 17840 2602 1 9 . 1 1 8 8 ASN H H 8 8.762 8.762 8.997 -0.235 17840 2603 1 9 . 1 1 9 9 LEU N N 9 121.294 121.294 122.416 -1.122 17840 2604 1 9 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.733 -0.100 17840 2605 1 9 . 1 1 9 9 LEU C C 9 176.821 176.821 175.731 1.090 17840 2606 1 9 . 1 1 9 9 LEU CA C 9 53.418 53.418 53.781 -0.363 17840 2607 1 9 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.109 -0.687 17840 2608 1 9 . 1 1 9 9 LEU H H 9 7.409 7.409 8.443 -1.034 17840 2609 1 9 . 1 1 10 10 LYS N N 10 120.567 120.567 122.107 -1.540 17840 2610 1 9 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.938 -0.002 17840 2611 1 9 . 1 1 10 10 LYS C C 10 179.217 179.217 177.138 2.079 17840 2612 1 9 . 1 1 10 10 LYS CA C 10 59.712 59.712 57.193 2.519 17840 2613 1 9 . 1 1 10 10 LYS CB C 10 31.806 31.806 31.949 -0.143 17840 2614 1 9 . 1 1 10 10 LYS H H 10 8.935 8.935 8.370 0.565 17840 2615 1 9 . 1 1 11 11 GLN N N 11 112.875 112.875 119.502 -6.627 17840 2616 1 9 . 1 1 11 11 GLN HA H 11 4.311 4.311 3.864 0.447 17840 2617 1 9 . 1 1 11 11 GLN C C 11 174.891 174.891 175.159 -0.268 17840 2618 1 9 . 1 1 11 11 GLN CA C 11 55.966 55.966 58.172 -2.206 17840 2619 1 9 . 1 1 11 11 GLN CB C 11 29.158 29.158 27.954 1.204 17840 2620 1 9 . 1 1 11 11 GLN H H 11 8.296 8.296 8.806 -0.510 17840 2621 1 9 . 1 1 12 12 ALA N N 12 119.661 119.661 125.984 -6.323 17840 2622 1 9 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.140 0.185 17840 2623 1 9 . 1 1 12 12 ALA C C 12 173.760 173.760 176.060 -2.300 17840 2624 1 9 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.717 -0.208 17840 2625 1 9 . 1 1 12 12 ALA CB C 12 21.412 21.412 18.895 2.518 17840 2626 1 9 . 1 1 12 12 ALA H H 12 6.849 6.849 8.128 -1.279 17840 2627 1 9 . 1 1 13 13 LYS N N 13 119.342 119.342 124.310 -4.968 17840 2628 1 9 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.195 0.076 17840 2629 1 9 . 1 1 13 13 LYS C C 13 175.801 175.801 175.873 -0.072 17840 2630 1 9 . 1 1 13 13 LYS CA C 13 55.135 55.135 54.951 0.184 17840 2631 1 9 . 1 1 13 13 LYS CB C 13 33.692 33.692 36.056 -2.364 17840 2632 1 9 . 1 1 13 13 LYS H H 13 8.050 8.050 8.121 -0.071 17840 2633 1 9 . 1 1 14 14 GLU N N 14 123.266 123.266 123.576 -0.310 17840 2634 1 9 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.542 0.197 17840 2635 1 9 . 1 1 14 14 GLU C C 14 173.316 173.316 175.122 -1.806 17840 2636 1 9 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.031 -0.189 17840 2637 1 9 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.352 2.008 17840 2638 1 9 . 1 1 14 14 GLU H H 14 8.327 8.327 9.186 -0.859 17840 2639 1 9 . 1 1 15 15 GLU N N 15 119.898 119.898 120.479 -0.581 17840 2640 1 9 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.319 0.190 17840 2641 1 9 . 1 1 15 15 GLU C C 15 174.270 174.270 174.981 -0.711 17840 2642 1 9 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.809 -1.154 17840 2643 1 9 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.715 1.315 17840 2644 1 9 . 1 1 15 15 GLU H H 15 8.386 8.386 8.563 -0.177 17840 2645 1 9 . 1 1 16 16 ALA N N 16 125.415 125.415 126.775 -1.360 17840 2646 1 9 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.804 0.070 17840 2647 1 9 . 1 1 16 16 ALA C C 16 174.403 174.403 174.929 -0.526 17840 2648 1 9 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.853 -0.489 17840 2649 1 9 . 1 1 16 16 ALA CB C 16 22.496 22.496 22.128 0.368 17840 2650 1 9 . 1 1 16 16 ALA H H 16 8.911 8.911 8.658 0.253 17840 2651 1 9 . 1 1 17 17 ILE N N 17 117.476 117.476 119.525 -2.049 17840 2652 1 9 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.188 0.280 17840 2653 1 9 . 1 1 17 17 ILE C C 17 175.712 175.712 175.163 0.549 17840 2654 1 9 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.729 -0.856 17840 2655 1 9 . 1 1 17 17 ILE CB C 17 42.163 42.163 41.562 0.601 17840 2656 1 9 . 1 1 17 17 ILE H H 17 8.329 8.329 8.470 -0.141 17840 2657 1 9 . 1 1 18 18 LYS N N 18 125.884 125.884 125.718 0.166 17840 2658 1 9 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.772 -0.352 17840 2659 1 9 . 1 1 18 18 LYS C C 18 172.873 172.873 175.277 -2.404 17840 2660 1 9 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.013 0.106 17840 2661 1 9 . 1 1 18 18 LYS CB C 18 37.230 37.230 34.624 2.606 17840 2662 1 9 . 1 1 18 18 LYS H H 18 9.050 9.050 9.425 -0.375 17840 2663 1 9 . 1 1 19 19 GLU N N 19 128.105 128.105 126.343 1.762 17840 2664 1 9 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.834 0.139 17840 2665 1 9 . 1 1 19 19 GLU C C 19 175.135 175.135 175.511 -0.376 17840 2666 1 9 . 1 1 19 19 GLU CA C 19 55.400 55.400 56.111 -0.711 17840 2667 1 9 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.962 -0.646 17840 2668 1 9 . 1 1 19 19 GLU H H 19 8.241 8.241 8.731 -0.490 17840 2669 1 9 . 1 1 20 20 LEU N N 20 127.206 127.206 126.956 0.250 17840 2670 1 9 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.691 -0.476 17840 2671 1 9 . 1 1 20 20 LEU C C 20 177.531 177.531 176.358 1.173 17840 2672 1 9 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.424 -1.218 17840 2673 1 9 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.382 1.302 17840 2674 1 9 . 1 1 20 20 LEU H H 20 8.563 8.563 8.123 0.440 17840 2675 1 9 . 1 1 21 21 VAL N N 21 116.204 116.204 114.053 2.151 17840 2676 1 9 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.363 -0.349 17840 2677 1 9 . 1 1 21 21 VAL C C 21 175.002 175.002 174.838 0.164 17840 2678 1 9 . 1 1 21 21 VAL CA C 21 65.334 65.334 61.935 3.399 17840 2679 1 9 . 1 1 21 21 VAL CB C 21 31.927 31.927 31.876 0.051 17840 2680 1 9 . 1 1 21 21 VAL H H 21 8.094 8.094 8.147 -0.053 17840 2681 1 9 . 1 1 22 22 ASP N N 22 114.375 114.375 119.997 -5.622 17840 2682 1 9 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.720 0.118 17840 2683 1 9 . 1 1 22 22 ASP C C 22 174.536 174.536 175.275 -0.739 17840 2684 1 9 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.719 -1.572 17840 2685 1 9 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.896 -1.204 17840 2686 1 9 . 1 1 22 22 ASP H H 22 6.862 6.862 7.628 -0.766 17840 2687 1 9 . 1 1 23 23 ALA N N 23 121.084 121.084 125.335 -4.251 17840 2688 1 9 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.477 -1.477 17840 2689 1 9 . 1 1 23 23 ALA C C 23 180.082 180.082 178.106 1.976 17840 2690 1 9 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.821 1.022 17840 2691 1 9 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.238 -1.618 17840 2692 1 9 . 1 1 23 23 ALA H H 23 8.389 8.389 8.707 -0.318 17840 2693 1 9 . 1 1 24 24 GLY N N 24 108.035 108.035 107.804 0.231 17840 2694 1 9 . 1 1 24 24 GLY C C 24 176.910 176.910 175.585 1.325 17840 2695 1 9 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.454 0.579 17840 2696 1 9 . 1 1 24 24 GLY H H 24 8.391 8.391 8.164 0.227 17840 2697 1 9 . 1 1 25 25 THR N N 25 120.237 120.237 118.329 1.908 17840 2698 1 9 . 1 1 25 25 THR HA H 25 4.000 4.000 3.965 0.035 17840 2699 1 9 . 1 1 25 25 THR C C 25 176.555 176.555 176.408 0.147 17840 2700 1 9 . 1 1 25 25 THR CA C 25 66.900 66.900 65.770 1.130 17840 2701 1 9 . 1 1 25 25 THR CB C 25 68.095 68.095 68.531 -0.436 17840 2702 1 9 . 1 1 25 25 THR H H 25 8.071 8.071 7.993 0.078 17840 2703 1 9 . 1 1 26 26 ALA N N 26 124.685 124.685 122.958 1.727 17840 2704 1 9 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.950 -0.489 17840 2705 1 9 . 1 1 26 26 ALA C C 26 175.734 175.734 178.743 -3.009 17840 2706 1 9 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.783 -1.940 17840 2707 1 9 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.882 -0.480 17840 2708 1 9 . 1 1 26 26 ALA H H 26 7.444 7.444 7.605 -0.161 17840 2709 1 9 . 1 1 27 27 GLU N N 27 119.278 119.278 118.210 1.068 17840 2710 1 9 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.030 -1.233 17840 2711 1 9 . 1 1 27 27 GLU C C 27 177.131 177.131 178.740 -1.609 17840 2712 1 9 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.291 0.846 17840 2713 1 9 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.256 -0.029 17840 2714 1 9 . 1 1 27 27 GLU H H 27 8.121 8.121 7.860 0.261 17840 2715 1 9 . 1 1 28 28 LYS N N 28 115.377 115.377 119.616 -4.239 17840 2716 1 9 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.140 -0.500 17840 2717 1 9 . 1 1 28 28 LYS C C 28 178.640 178.640 178.686 -0.046 17840 2718 1 9 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.082 0.769 17840 2719 1 9 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.597 -0.191 17840 2720 1 9 . 1 1 28 28 LYS H H 28 6.847 6.847 7.511 -0.664 17840 2721 1 9 . 1 1 29 29 TYR N N 29 119.713 119.713 121.615 -1.902 17840 2722 1 9 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.076 0.033 17840 2723 1 9 . 1 1 29 29 TYR C C 29 177.619 177.619 178.011 -0.392 17840 2724 1 9 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.187 -0.914 17840 2725 1 9 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.494 -0.520 17840 2726 1 9 . 1 1 29 29 TYR H H 29 7.358 7.358 7.873 -0.515 17840 2727 1 9 . 1 1 30 30 PHE N N 30 117.565 117.565 116.589 0.976 17840 2728 1 9 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.304 0.203 17840 2729 1 9 . 1 1 30 30 PHE C C 30 178.507 178.507 177.934 0.573 17840 2730 1 9 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.164 -1.602 17840 2731 1 9 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.531 -0.908 17840 2732 1 9 . 1 1 30 30 PHE H H 30 8.601 8.601 8.221 0.380 17840 2733 1 9 . 1 1 31 31 LYS N N 31 121.534 121.534 120.756 0.778 17840 2734 1 9 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.114 -0.096 17840 2735 1 9 . 1 1 31 31 LYS C C 31 178.751 178.751 178.911 -0.160 17840 2736 1 9 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.345 0.614 17840 2737 1 9 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.297 -0.593 17840 2738 1 9 . 1 1 31 31 LYS H H 31 8.310 8.310 7.658 0.652 17840 2739 1 9 . 1 1 32 32 LEU N N 32 118.368 118.368 121.328 -2.960 17840 2740 1 9 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.022 0.104 17840 2741 1 9 . 1 1 32 32 LEU C C 32 180.636 180.636 178.581 2.055 17840 2742 1 9 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.292 -0.202 17840 2743 1 9 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.187 -0.890 17840 2744 1 9 . 1 1 32 32 LEU H H 32 6.890 6.890 8.228 -1.338 17840 2745 1 9 . 1 1 33 33 ILE N N 33 118.866 118.866 119.261 -0.395 17840 2746 1 9 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.570 0.127 17840 2747 1 9 . 1 1 33 33 ILE C C 33 178.485 178.485 177.345 1.140 17840 2748 1 9 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.291 0.592 17840 2749 1 9 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.586 -0.072 17840 2750 1 9 . 1 1 33 33 ILE H H 33 6.985 6.985 7.653 -0.668 17840 2751 1 9 . 1 1 34 34 ALA N N 34 121.160 121.160 121.956 -0.796 17840 2752 1 9 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.891 0.048 17840 2753 1 9 . 1 1 34 34 ALA C C 34 179.372 179.372 179.227 0.145 17840 2754 1 9 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.214 0.019 17840 2755 1 9 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.232 0.442 17840 2756 1 9 . 1 1 34 34 ALA H H 34 8.312 8.312 7.968 0.344 17840 2757 1 9 . 1 1 35 35 ASN N N 35 116.166 116.166 117.306 -1.140 17840 2758 1 9 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.512 0.074 17840 2759 1 9 . 1 1 35 35 ASN C C 35 173.871 173.871 176.925 -3.054 17840 2760 1 9 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.734 -0.039 17840 2761 1 9 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.311 -0.180 17840 2762 1 9 . 1 1 35 35 ASN H H 35 8.222 8.222 7.907 0.315 17840 2763 1 9 . 1 1 36 36 ALA N N 36 121.269 121.269 120.480 0.789 17840 2764 1 9 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.365 -0.085 17840 2765 1 9 . 1 1 36 36 ALA C C 36 178.507 178.507 178.612 -0.105 17840 2766 1 9 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.478 0.605 17840 2767 1 9 . 1 1 36 36 ALA CB C 36 18.911 18.911 18.942 -0.031 17840 2768 1 9 . 1 1 36 36 ALA H H 36 7.397 7.397 7.513 -0.116 17840 2769 1 9 . 1 1 37 37 LYS N N 37 116.114 116.114 117.763 -1.649 17840 2770 1 9 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.228 0.078 17840 2771 1 9 . 1 1 37 37 LYS C C 37 175.401 175.401 177.295 -1.894 17840 2772 1 9 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.744 -1.481 17840 2773 1 9 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.361 0.570 17840 2774 1 9 . 1 1 37 37 LYS H H 37 7.371 7.371 7.758 -0.387 17840 2775 1 9 . 1 1 38 38 THR N N 38 113.187 113.187 112.437 0.750 17840 2776 1 9 . 1 1 38 38 THR HA H 38 4.300 4.300 4.441 -0.141 17840 2777 1 9 . 1 1 38 38 THR C C 38 173.139 173.139 172.656 0.483 17840 2778 1 9 . 1 1 38 38 THR CA C 38 61.530 61.530 62.024 -0.494 17840 2779 1 9 . 1 1 38 38 THR CB C 38 69.468 69.468 69.590 -0.122 17840 2780 1 9 . 1 1 38 38 THR H H 38 7.812 7.812 8.268 -0.456 17840 2781 1 9 . 1 1 39 39 VAL N N 39 122.490 122.490 121.101 1.389 17840 2782 1 9 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.512 -0.260 17840 2783 1 9 . 1 1 39 39 VAL C C 39 174.869 174.869 175.257 -0.388 17840 2784 1 9 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.281 1.229 17840 2785 1 9 . 1 1 39 39 VAL CB C 39 32.661 32.661 31.521 1.140 17840 2786 1 9 . 1 1 39 39 VAL H H 39 8.091 8.091 8.177 -0.086 17840 2787 1 9 . 1 1 40 40 GLU N N 40 124.998 124.998 122.593 2.405 17840 2788 1 9 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.670 -0.126 17840 2789 1 9 . 1 1 40 40 GLU C C 40 174.913 174.913 176.257 -1.344 17840 2790 1 9 . 1 1 40 40 GLU CA C 40 55.397 55.397 55.965 -0.568 17840 2791 1 9 . 1 1 40 40 GLU CB C 40 30.497 30.497 29.497 1.000 17840 2792 1 9 . 1 1 40 40 GLU H H 40 8.479 8.479 8.072 0.407 17840 2793 1 9 . 1 1 41 41 GLY N N 41 107.295 107.295 110.586 -3.291 17840 2794 1 9 . 1 1 41 41 GLY C C 41 174.558 174.558 172.613 1.945 17840 2795 1 9 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.276 0.025 17840 2796 1 9 . 1 1 41 41 GLY H H 41 7.868 7.868 8.305 -0.437 17840 2797 1 9 . 1 1 42 42 VAL N N 42 120.789 120.789 122.056 -1.267 17840 2798 1 9 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.590 -0.206 17840 2799 1 9 . 1 1 42 42 VAL C C 42 176.399 176.399 174.098 2.301 17840 2800 1 9 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.234 2.233 17840 2801 1 9 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.319 -0.926 17840 2802 1 9 . 1 1 42 42 VAL H H 42 8.087 8.087 8.090 -0.003 17840 2803 1 9 . 1 1 43 43 TRP N N 43 130.892 130.892 127.107 3.785 17840 2804 1 9 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.033 0.215 17840 2805 1 9 . 1 1 43 43 TRP C C 43 176.821 176.821 175.937 0.884 17840 2806 1 9 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.565 1.461 17840 2807 1 9 . 1 1 43 43 TRP CB C 43 29.775 29.775 31.087 -1.312 17840 2808 1 9 . 1 1 43 43 TRP H H 43 9.224 9.224 8.590 0.634 17840 2809 1 9 . 1 1 44 44 THR N N 44 114.739 114.739 119.951 -5.212 17840 2810 1 9 . 1 1 44 44 THR HA H 44 4.802 4.802 4.848 -0.046 17840 2811 1 9 . 1 1 44 44 THR C C 44 171.963 171.963 172.881 -0.918 17840 2812 1 9 . 1 1 44 44 THR CA C 44 60.996 60.996 60.817 0.179 17840 2813 1 9 . 1 1 44 44 THR CB C 44 72.649 72.649 71.241 1.408 17840 2814 1 9 . 1 1 44 44 THR H H 44 9.093 9.093 9.085 0.008 17840 2815 1 9 . 1 1 45 45 TYR N N 45 121.068 121.068 121.631 -0.563 17840 2816 1 9 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.181 -0.177 17840 2817 1 9 . 1 1 45 45 TYR C C 45 173.472 173.472 173.582 -0.110 17840 2818 1 9 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.425 -0.341 17840 2819 1 9 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.198 -0.964 17840 2820 1 9 . 1 1 45 45 TYR H H 45 8.474 8.474 8.492 -0.018 17840 2821 1 9 . 1 1 46 46 LYS N N 46 128.497 128.497 125.281 3.216 17840 2822 1 9 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.529 -0.196 17840 2823 1 9 . 1 1 46 46 LYS C C 46 174.847 174.847 174.956 -0.109 17840 2824 1 9 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.755 -0.783 17840 2825 1 9 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.912 -1.065 17840 2826 1 9 . 1 1 46 46 LYS H H 46 7.144 7.144 7.974 -0.830 17840 2827 1 9 . 1 1 47 47 ASP N N 47 126.400 126.400 123.830 2.570 17840 2828 1 9 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.452 -0.448 17840 2829 1 9 . 1 1 47 47 ASP C C 47 179.191 179.191 176.318 2.873 17840 2830 1 9 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.022 3.406 17840 2831 1 9 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.596 1.692 17840 2832 1 9 . 1 1 47 47 ASP H H 47 8.513 8.513 8.832 -0.319 17840 2833 1 9 . 1 1 48 48 GLU N N 48 118.126 118.126 119.192 -1.066 17840 2834 1 9 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.289 -0.216 17840 2835 1 9 . 1 1 48 48 GLU C C 48 176.976 176.976 176.459 0.517 17840 2836 1 9 . 1 1 48 48 GLU CA C 48 60.040 60.040 57.565 2.475 17840 2837 1 9 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.290 -1.633 17840 2838 1 9 . 1 1 48 48 GLU H H 48 9.618 9.618 8.095 1.523 17840 2839 1 9 . 1 1 49 49 ILE N N 49 105.335 105.335 112.018 -6.683 17840 2840 1 9 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.310 0.309 17840 2841 1 9 . 1 1 49 49 ILE C C 49 175.290 175.290 174.035 1.255 17840 2842 1 9 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.132 0.257 17840 2843 1 9 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.620 -0.279 17840 2844 1 9 . 1 1 49 49 ILE H H 49 6.187 6.187 7.250 -1.063 17840 2845 1 9 . 1 1 50 50 LYS N N 50 124.144 124.144 118.600 5.544 17840 2846 1 9 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.613 0.560 17840 2847 1 9 . 1 1 50 50 LYS C C 50 174.159 174.159 174.261 -0.102 17840 2848 1 9 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.832 -0.916 17840 2849 1 9 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.454 0.895 17840 2850 1 9 . 1 1 50 50 LYS H H 50 7.659 7.659 7.761 -0.102 17840 2851 1 9 . 1 1 51 51 THR N N 51 109.166 109.166 116.793 -7.627 17840 2852 1 9 . 1 1 51 51 THR HA H 51 5.650 5.650 5.047 0.603 17840 2853 1 9 . 1 1 51 51 THR C C 51 173.405 173.405 172.720 0.685 17840 2854 1 9 . 1 1 51 51 THR CA C 51 62.262 62.262 61.860 0.402 17840 2855 1 9 . 1 1 51 51 THR CB C 51 73.271 73.271 71.945 1.326 17840 2856 1 9 . 1 1 51 51 THR H H 51 6.843 6.843 7.410 -0.567 17840 2857 1 9 . 1 1 52 52 PHE N N 52 130.917 130.917 127.473 3.444 17840 2858 1 9 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.305 0.254 17840 2859 1 9 . 1 1 52 52 PHE C C 52 173.627 173.627 174.553 -0.926 17840 2860 1 9 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.294 0.977 17840 2861 1 9 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.780 -0.625 17840 2862 1 9 . 1 1 52 52 PHE H H 52 10.025 10.025 9.319 0.706 17840 2863 1 9 . 1 1 53 53 THR N N 53 117.627 117.627 116.192 1.435 17840 2864 1 9 . 1 1 53 53 THR HA H 53 5.217 5.217 4.661 0.556 17840 2865 1 9 . 1 1 53 53 THR C C 53 171.586 171.586 172.796 -1.210 17840 2866 1 9 . 1 1 53 53 THR CA C 53 61.724 61.724 61.142 0.583 17840 2867 1 9 . 1 1 53 53 THR CB C 53 70.567 70.567 71.623 -1.056 17840 2868 1 9 . 1 1 53 53 THR H H 53 8.927 8.927 9.298 -0.371 17840 2869 1 9 . 1 1 54 54 VAL N N 54 124.587 124.587 125.377 -0.790 17840 2870 1 9 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.062 0.365 17840 2871 1 9 . 1 1 54 54 VAL C C 54 172.873 172.873 175.492 -2.619 17840 2872 1 9 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.943 -1.324 17840 2873 1 9 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.139 0.523 17840 2874 1 9 . 1 1 54 54 VAL H H 54 8.302 8.302 8.053 0.249 17840 2875 1 9 . 1 1 55 55 THR N N 55 124.116 124.116 123.924 0.192 17840 2876 1 9 . 1 1 55 55 THR HA H 55 4.769 4.769 4.963 -0.194 17840 2877 1 9 . 1 1 55 55 THR C C 55 173.294 173.294 174.227 -0.933 17840 2878 1 9 . 1 1 55 55 THR CA C 55 61.698 61.698 61.286 0.412 17840 2879 1 9 . 1 1 55 55 THR CB C 55 71.382 71.382 70.383 0.999 17840 2880 1 9 . 1 1 55 55 THR H H 55 8.229 8.229 8.150 0.079 17840 2881 1 10 . 1 1 2 2 THR N N 2 123.900 123.900 111.819 12.081 17840 2882 1 10 . 1 1 2 2 THR HA H 2 4.311 4.311 4.674 -0.363 17840 2883 1 10 . 1 1 2 2 THR C C 2 172.130 172.130 173.518 -1.388 17840 2884 1 10 . 1 1 2 2 THR CA C 2 63.855 63.855 61.312 2.543 17840 2885 1 10 . 1 1 2 2 THR CB C 2 68.688 68.688 69.411 -0.723 17840 2886 1 10 . 1 1 2 2 THR H H 2 8.670 8.670 8.189 0.481 17840 2887 1 10 . 1 1 3 3 TYR N N 3 127.206 127.206 127.258 -0.052 17840 2888 1 10 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.341 0.020 17840 2889 1 10 . 1 1 3 3 TYR C C 3 173.427 173.427 174.596 -1.169 17840 2890 1 10 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.390 0.563 17840 2891 1 10 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.634 0.474 17840 2892 1 10 . 1 1 3 3 TYR H H 3 8.657 8.657 9.007 -0.350 17840 2893 1 10 . 1 1 4 4 LYS N N 4 120.377 120.377 124.694 -4.317 17840 2894 1 10 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.308 0.093 17840 2895 1 10 . 1 1 4 4 LYS C C 4 172.296 172.296 174.623 -2.327 17840 2896 1 10 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.916 -0.257 17840 2897 1 10 . 1 1 4 4 LYS CB C 4 35.950 35.950 35.958 -0.008 17840 2898 1 10 . 1 1 4 4 LYS H H 4 8.599 8.599 8.295 0.304 17840 2899 1 10 . 1 1 5 5 LEU N N 5 126.484 126.484 122.258 4.226 17840 2900 1 10 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.333 -0.310 17840 2901 1 10 . 1 1 5 5 LEU C C 5 174.359 174.359 174.900 -0.541 17840 2902 1 10 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.298 -0.761 17840 2903 1 10 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.248 -2.086 17840 2904 1 10 . 1 1 5 5 LEU H H 5 8.781 8.781 8.071 0.710 17840 2905 1 10 . 1 1 6 6 ILE N N 6 126.235 126.235 123.381 2.854 17840 2906 1 10 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.882 -0.514 17840 2907 1 10 . 1 1 6 6 ILE C C 6 173.982 173.982 174.719 -0.737 17840 2908 1 10 . 1 1 6 6 ILE CA C 6 60.462 60.462 60.205 0.257 17840 2909 1 10 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.649 -0.933 17840 2910 1 10 . 1 1 6 6 ILE H H 6 8.895 8.895 8.251 0.644 17840 2911 1 10 . 1 1 7 7 LEU N N 7 125.986 125.986 128.478 -2.492 17840 2912 1 10 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.621 -0.224 17840 2913 1 10 . 1 1 7 7 LEU C C 7 173.915 173.915 175.562 -1.647 17840 2914 1 10 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.818 -0.189 17840 2915 1 10 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.240 -1.928 17840 2916 1 10 . 1 1 7 7 LEU H H 7 8.627 8.627 7.877 0.750 17840 2917 1 10 . 1 1 8 8 ASN N N 8 125.244 125.244 122.267 2.977 17840 2918 1 10 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.929 0.141 17840 2919 1 10 . 1 1 8 8 ASN C C 8 173.960 173.960 174.420 -0.460 17840 2920 1 10 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.922 -1.109 17840 2921 1 10 . 1 1 8 8 ASN CB C 8 37.862 37.862 39.914 -2.052 17840 2922 1 10 . 1 1 8 8 ASN H H 8 8.762 8.762 8.542 0.220 17840 2923 1 10 . 1 1 9 9 LEU N N 9 121.294 121.294 120.899 0.395 17840 2924 1 10 . 1 1 9 9 LEU HA H 9 4.633 4.633 5.106 -0.473 17840 2925 1 10 . 1 1 9 9 LEU C C 9 176.821 176.821 176.279 0.542 17840 2926 1 10 . 1 1 9 9 LEU CA C 9 53.418 53.418 52.100 1.318 17840 2927 1 10 . 1 1 9 9 LEU CB C 9 41.422 41.422 44.833 -3.411 17840 2928 1 10 . 1 1 9 9 LEU H H 9 7.409 7.409 8.251 -0.842 17840 2929 1 10 . 1 1 10 10 LYS N N 10 120.567 120.567 117.473 3.094 17840 2930 1 10 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.952 -0.016 17840 2931 1 10 . 1 1 10 10 LYS C C 10 179.217 179.217 176.703 2.514 17840 2932 1 10 . 1 1 10 10 LYS CA C 10 59.712 59.712 59.007 0.705 17840 2933 1 10 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.712 -0.906 17840 2934 1 10 . 1 1 10 10 LYS H H 10 8.935 8.935 8.467 0.468 17840 2935 1 10 . 1 1 11 11 GLN N N 11 112.875 112.875 116.067 -3.192 17840 2936 1 10 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.490 -0.179 17840 2937 1 10 . 1 1 11 11 GLN C C 11 174.891 174.891 175.073 -0.182 17840 2938 1 10 . 1 1 11 11 GLN CA C 11 55.966 55.966 54.272 1.694 17840 2939 1 10 . 1 1 11 11 GLN CB C 11 29.158 29.158 28.896 0.262 17840 2940 1 10 . 1 1 11 11 GLN H H 11 8.296 8.296 7.719 0.577 17840 2941 1 10 . 1 1 12 12 ALA N N 12 119.661 119.661 127.602 -7.941 17840 2942 1 10 . 1 1 12 12 ALA HA H 12 4.325 4.325 3.933 0.392 17840 2943 1 10 . 1 1 12 12 ALA C C 12 173.760 173.760 175.749 -1.989 17840 2944 1 10 . 1 1 12 12 ALA CA C 12 52.509 52.509 53.434 -0.925 17840 2945 1 10 . 1 1 12 12 ALA CB C 12 21.412 21.412 18.658 2.754 17840 2946 1 10 . 1 1 12 12 ALA H H 12 6.849 6.849 8.610 -1.761 17840 2947 1 10 . 1 1 13 13 LYS N N 13 119.342 119.342 119.422 -0.080 17840 2948 1 10 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.119 0.152 17840 2949 1 10 . 1 1 13 13 LYS C C 13 175.801 175.801 175.588 0.213 17840 2950 1 10 . 1 1 13 13 LYS CA C 13 55.135 55.135 54.861 0.274 17840 2951 1 10 . 1 1 13 13 LYS CB C 13 33.692 33.692 34.976 -1.284 17840 2952 1 10 . 1 1 13 13 LYS H H 13 8.050 8.050 8.218 -0.168 17840 2953 1 10 . 1 1 14 14 GLU N N 14 123.266 123.266 119.550 3.716 17840 2954 1 10 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.604 0.135 17840 2955 1 10 . 1 1 14 14 GLU C C 14 173.316 173.316 174.548 -1.232 17840 2956 1 10 . 1 1 14 14 GLU CA C 14 54.842 54.842 54.747 0.095 17840 2957 1 10 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.883 1.477 17840 2958 1 10 . 1 1 14 14 GLU H H 14 8.327 8.327 9.074 -0.747 17840 2959 1 10 . 1 1 15 15 GLU N N 15 119.898 119.898 119.734 0.164 17840 2960 1 10 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.430 0.079 17840 2961 1 10 . 1 1 15 15 GLU C C 15 174.270 174.270 174.921 -0.651 17840 2962 1 10 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.149 -0.494 17840 2963 1 10 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.966 1.065 17840 2964 1 10 . 1 1 15 15 GLU H H 15 8.386 8.386 8.556 -0.170 17840 2965 1 10 . 1 1 16 16 ALA N N 16 125.415 125.415 126.910 -1.495 17840 2966 1 10 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.922 -0.048 17840 2967 1 10 . 1 1 16 16 ALA C C 16 174.403 174.403 174.990 -0.587 17840 2968 1 10 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.527 -0.163 17840 2969 1 10 . 1 1 16 16 ALA CB C 16 22.496 22.496 22.454 0.042 17840 2970 1 10 . 1 1 16 16 ALA H H 16 8.911 8.911 8.390 0.521 17840 2971 1 10 . 1 1 17 17 ILE N N 17 117.476 117.476 117.315 0.161 17840 2972 1 10 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.008 0.460 17840 2973 1 10 . 1 1 17 17 ILE C C 17 175.712 175.712 174.818 0.894 17840 2974 1 10 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.438 -0.565 17840 2975 1 10 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.066 2.097 17840 2976 1 10 . 1 1 17 17 ILE H H 17 8.329 8.329 8.331 -0.002 17840 2977 1 10 . 1 1 18 18 LYS N N 18 125.884 125.884 127.744 -1.860 17840 2978 1 10 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.704 -0.284 17840 2979 1 10 . 1 1 18 18 LYS C C 18 172.873 172.873 174.944 -2.071 17840 2980 1 10 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.198 -0.079 17840 2981 1 10 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.352 1.878 17840 2982 1 10 . 1 1 18 18 LYS H H 18 9.050 9.050 9.235 -0.185 17840 2983 1 10 . 1 1 19 19 GLU N N 19 128.105 128.105 124.931 3.174 17840 2984 1 10 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.057 -0.084 17840 2985 1 10 . 1 1 19 19 GLU C C 19 175.135 175.135 175.300 -0.165 17840 2986 1 10 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.716 -0.316 17840 2987 1 10 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.971 -0.655 17840 2988 1 10 . 1 1 19 19 GLU H H 19 8.241 8.241 8.632 -0.391 17840 2989 1 10 . 1 1 20 20 LEU N N 20 127.206 127.206 125.753 1.453 17840 2990 1 10 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.721 -0.506 17840 2991 1 10 . 1 1 20 20 LEU C C 20 177.531 177.531 176.563 0.968 17840 2992 1 10 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.982 -0.776 17840 2993 1 10 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.122 1.562 17840 2994 1 10 . 1 1 20 20 LEU H H 20 8.563 8.563 8.299 0.264 17840 2995 1 10 . 1 1 21 21 VAL N N 21 116.204 116.204 119.392 -3.188 17840 2996 1 10 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.989 0.025 17840 2997 1 10 . 1 1 21 21 VAL C C 21 175.002 175.002 176.022 -1.020 17840 2998 1 10 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.435 0.899 17840 2999 1 10 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.647 -0.720 17840 3000 1 10 . 1 1 21 21 VAL H H 21 8.094 8.094 8.878 -0.784 17840 3001 1 10 . 1 1 22 22 ASP N N 22 114.375 114.375 118.376 -4.001 17840 3002 1 10 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.794 0.044 17840 3003 1 10 . 1 1 22 22 ASP C C 22 174.536 174.536 175.279 -0.743 17840 3004 1 10 . 1 1 22 22 ASP CA C 22 53.147 53.147 53.083 0.064 17840 3005 1 10 . 1 1 22 22 ASP CB C 22 42.692 42.692 42.255 0.437 17840 3006 1 10 . 1 1 22 22 ASP H H 22 6.862 6.862 7.692 -0.830 17840 3007 1 10 . 1 1 23 23 ALA N N 23 121.084 121.084 119.012 2.072 17840 3008 1 10 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.652 -1.652 17840 3009 1 10 . 1 1 23 23 ALA C C 23 180.082 180.082 178.231 1.851 17840 3010 1 10 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.338 2.505 17840 3011 1 10 . 1 1 23 23 ALA CB C 23 17.620 17.620 20.263 -2.643 17840 3012 1 10 . 1 1 23 23 ALA H H 23 8.389 8.389 8.358 0.031 17840 3013 1 10 . 1 1 24 24 GLY N N 24 108.035 108.035 108.093 -0.058 17840 3014 1 10 . 1 1 24 24 GLY C C 24 176.910 176.910 175.514 1.396 17840 3015 1 10 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.735 0.298 17840 3016 1 10 . 1 1 24 24 GLY H H 24 8.391 8.391 8.281 0.110 17840 3017 1 10 . 1 1 25 25 THR N N 25 120.237 120.237 116.078 4.159 17840 3018 1 10 . 1 1 25 25 THR HA H 25 4.000 4.000 3.886 0.114 17840 3019 1 10 . 1 1 25 25 THR C C 25 176.555 176.555 176.420 0.135 17840 3020 1 10 . 1 1 25 25 THR CA C 25 66.900 66.900 66.472 0.427 17840 3021 1 10 . 1 1 25 25 THR CB C 25 68.095 68.095 68.458 -0.363 17840 3022 1 10 . 1 1 25 25 THR H H 25 8.071 8.071 7.966 0.105 17840 3023 1 10 . 1 1 26 26 ALA N N 26 124.685 124.685 122.605 2.080 17840 3024 1 10 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.153 -0.692 17840 3025 1 10 . 1 1 26 26 ALA C C 26 175.734 175.734 179.296 -3.562 17840 3026 1 10 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.409 -1.566 17840 3027 1 10 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.114 -0.712 17840 3028 1 10 . 1 1 26 26 ALA H H 26 7.444 7.444 8.304 -0.860 17840 3029 1 10 . 1 1 27 27 GLU N N 27 119.278 119.278 119.413 -0.135 17840 3030 1 10 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.179 -1.382 17840 3031 1 10 . 1 1 27 27 GLU C C 27 177.131 177.131 178.961 -1.830 17840 3032 1 10 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.578 0.559 17840 3033 1 10 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.497 -0.270 17840 3034 1 10 . 1 1 27 27 GLU H H 27 8.121 8.121 7.654 0.467 17840 3035 1 10 . 1 1 28 28 LYS N N 28 115.377 115.377 119.434 -4.057 17840 3036 1 10 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.077 -0.437 17840 3037 1 10 . 1 1 28 28 LYS C C 28 178.640 178.640 178.974 -0.334 17840 3038 1 10 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.460 0.391 17840 3039 1 10 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.541 -0.135 17840 3040 1 10 . 1 1 28 28 LYS H H 28 6.847 6.847 8.444 -1.597 17840 3041 1 10 . 1 1 29 29 TYR N N 29 119.713 119.713 120.747 -1.034 17840 3042 1 10 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.121 -0.012 17840 3043 1 10 . 1 1 29 29 TYR C C 29 177.619 177.619 177.973 -0.354 17840 3044 1 10 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.214 0.059 17840 3045 1 10 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.254 -0.280 17840 3046 1 10 . 1 1 29 29 TYR H H 29 7.358 7.358 7.836 -0.478 17840 3047 1 10 . 1 1 30 30 PHE N N 30 117.565 117.565 117.751 -0.186 17840 3048 1 10 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.184 0.323 17840 3049 1 10 . 1 1 30 30 PHE C C 30 178.507 178.507 177.996 0.511 17840 3050 1 10 . 1 1 30 30 PHE CA C 30 57.562 57.562 61.281 -3.719 17840 3051 1 10 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.655 -1.032 17840 3052 1 10 . 1 1 30 30 PHE H H 30 8.601 8.601 8.099 0.502 17840 3053 1 10 . 1 1 31 31 LYS N N 31 121.534 121.534 120.600 0.934 17840 3054 1 10 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.221 -0.203 17840 3055 1 10 . 1 1 31 31 LYS C C 31 178.751 178.751 178.967 -0.216 17840 3056 1 10 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.630 0.329 17840 3057 1 10 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.124 -0.420 17840 3058 1 10 . 1 1 31 31 LYS H H 31 8.310 8.310 7.430 0.880 17840 3059 1 10 . 1 1 32 32 LEU N N 32 118.368 118.368 121.458 -3.090 17840 3060 1 10 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.989 0.137 17840 3061 1 10 . 1 1 32 32 LEU C C 32 180.636 180.636 178.541 2.095 17840 3062 1 10 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.231 -0.141 17840 3063 1 10 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.063 -0.766 17840 3064 1 10 . 1 1 32 32 LEU H H 32 6.890 6.890 8.041 -1.151 17840 3065 1 10 . 1 1 33 33 ILE N N 33 118.866 118.866 119.095 -0.229 17840 3066 1 10 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.569 0.128 17840 3067 1 10 . 1 1 33 33 ILE C C 33 178.485 178.485 177.487 0.998 17840 3068 1 10 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.673 0.210 17840 3069 1 10 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.745 -0.231 17840 3070 1 10 . 1 1 33 33 ILE H H 33 6.985 6.985 7.589 -0.604 17840 3071 1 10 . 1 1 34 34 ALA N N 34 121.160 121.160 121.492 -0.332 17840 3072 1 10 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.913 0.026 17840 3073 1 10 . 1 1 34 34 ALA C C 34 179.372 179.372 179.267 0.105 17840 3074 1 10 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.470 -0.237 17840 3075 1 10 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.138 0.536 17840 3076 1 10 . 1 1 34 34 ALA H H 34 8.312 8.312 8.276 0.036 17840 3077 1 10 . 1 1 35 35 ASN N N 35 116.166 116.166 117.106 -0.940 17840 3078 1 10 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.535 0.051 17840 3079 1 10 . 1 1 35 35 ASN C C 35 173.871 173.871 176.485 -2.614 17840 3080 1 10 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.610 0.085 17840 3081 1 10 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.246 -0.115 17840 3082 1 10 . 1 1 35 35 ASN H H 35 8.222 8.222 8.337 -0.115 17840 3083 1 10 . 1 1 36 36 ALA N N 36 121.269 121.269 120.033 1.236 17840 3084 1 10 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.250 0.030 17840 3085 1 10 . 1 1 36 36 ALA C C 36 178.507 178.507 178.785 -0.278 17840 3086 1 10 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.240 0.843 17840 3087 1 10 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.546 -0.635 17840 3088 1 10 . 1 1 36 36 ALA H H 36 7.397 7.397 7.449 -0.052 17840 3089 1 10 . 1 1 37 37 LYS N N 37 116.114 116.114 118.650 -2.536 17840 3090 1 10 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.056 0.250 17840 3091 1 10 . 1 1 37 37 LYS C C 37 175.401 175.401 177.804 -2.403 17840 3092 1 10 . 1 1 37 37 LYS CA C 37 56.263 56.263 58.870 -2.607 17840 3093 1 10 . 1 1 37 37 LYS CB C 37 33.931 33.931 32.845 1.086 17840 3094 1 10 . 1 1 37 37 LYS H H 37 7.371 7.371 7.911 -0.540 17840 3095 1 10 . 1 1 38 38 THR N N 38 113.187 113.187 108.445 4.742 17840 3096 1 10 . 1 1 38 38 THR HA H 38 4.300 4.300 4.402 -0.102 17840 3097 1 10 . 1 1 38 38 THR C C 38 173.139 173.139 173.623 -0.484 17840 3098 1 10 . 1 1 38 38 THR CA C 38 61.530 61.530 61.937 -0.407 17840 3099 1 10 . 1 1 38 38 THR CB C 38 69.468 69.468 70.586 -1.118 17840 3100 1 10 . 1 1 38 38 THR H H 38 7.812 7.812 7.769 0.043 17840 3101 1 10 . 1 1 39 39 VAL N N 39 122.490 122.490 116.929 5.561 17840 3102 1 10 . 1 1 39 39 VAL HA H 39 4.252 4.252 3.869 0.383 17840 3103 1 10 . 1 1 39 39 VAL C C 39 174.869 174.869 174.456 0.413 17840 3104 1 10 . 1 1 39 39 VAL CA C 39 62.510 62.510 63.222 -0.712 17840 3105 1 10 . 1 1 39 39 VAL CB C 39 32.661 32.661 31.008 1.653 17840 3106 1 10 . 1 1 39 39 VAL H H 39 8.091 8.091 7.863 0.228 17840 3107 1 10 . 1 1 40 40 GLU N N 40 124.998 124.998 126.326 -1.328 17840 3108 1 10 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.539 0.005 17840 3109 1 10 . 1 1 40 40 GLU C C 40 174.913 174.913 175.514 -0.601 17840 3110 1 10 . 1 1 40 40 GLU CA C 40 55.397 55.397 55.757 -0.360 17840 3111 1 10 . 1 1 40 40 GLU CB C 40 30.497 30.497 31.661 -1.164 17840 3112 1 10 . 1 1 40 40 GLU H H 40 8.479 8.479 8.272 0.207 17840 3113 1 10 . 1 1 41 41 GLY N N 41 107.295 107.295 111.151 -3.856 17840 3114 1 10 . 1 1 41 41 GLY C C 41 174.558 174.558 172.472 2.086 17840 3115 1 10 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.634 -0.333 17840 3116 1 10 . 1 1 41 41 GLY H H 41 7.868 7.868 8.213 -0.345 17840 3117 1 10 . 1 1 42 42 VAL N N 42 120.789 120.789 122.939 -2.150 17840 3118 1 10 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.642 -0.258 17840 3119 1 10 . 1 1 42 42 VAL C C 42 176.399 176.399 174.032 2.367 17840 3120 1 10 . 1 1 42 42 VAL CA C 42 62.467 62.467 59.773 2.694 17840 3121 1 10 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.801 -1.408 17840 3122 1 10 . 1 1 42 42 VAL H H 42 8.087 8.087 8.394 -0.307 17840 3123 1 10 . 1 1 43 43 TRP N N 43 130.892 130.892 127.120 3.772 17840 3124 1 10 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.026 0.222 17840 3125 1 10 . 1 1 43 43 TRP C C 43 176.821 176.821 175.794 1.027 17840 3126 1 10 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.447 1.579 17840 3127 1 10 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.730 -0.955 17840 3128 1 10 . 1 1 43 43 TRP H H 43 9.224 9.224 8.425 0.799 17840 3129 1 10 . 1 1 44 44 THR N N 44 114.739 114.739 119.305 -4.566 17840 3130 1 10 . 1 1 44 44 THR HA H 44 4.802 4.802 4.860 -0.058 17840 3131 1 10 . 1 1 44 44 THR C C 44 171.963 171.963 172.297 -0.334 17840 3132 1 10 . 1 1 44 44 THR CA C 44 60.996 60.996 60.472 0.524 17840 3133 1 10 . 1 1 44 44 THR CB C 44 72.649 72.649 70.839 1.810 17840 3134 1 10 . 1 1 44 44 THR H H 44 9.093 9.093 8.895 0.198 17840 3135 1 10 . 1 1 45 45 TYR N N 45 121.068 121.068 122.491 -1.423 17840 3136 1 10 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.691 0.313 17840 3137 1 10 . 1 1 45 45 TYR C C 45 173.472 173.472 173.554 -0.082 17840 3138 1 10 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.556 -0.472 17840 3139 1 10 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.712 -0.478 17840 3140 1 10 . 1 1 45 45 TYR H H 45 8.474 8.474 8.580 -0.106 17840 3141 1 10 . 1 1 46 46 LYS N N 46 128.497 128.497 127.104 1.393 17840 3142 1 10 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.430 -0.097 17840 3143 1 10 . 1 1 46 46 LYS C C 46 174.847 174.847 175.069 -0.222 17840 3144 1 10 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.894 -0.922 17840 3145 1 10 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.255 -0.408 17840 3146 1 10 . 1 1 46 46 LYS H H 46 7.144 7.144 8.171 -1.027 17840 3147 1 10 . 1 1 47 47 ASP N N 47 126.400 126.400 123.419 2.981 17840 3148 1 10 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.560 -0.556 17840 3149 1 10 . 1 1 47 47 ASP C C 47 179.191 179.191 176.792 2.399 17840 3150 1 10 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.083 3.345 17840 3151 1 10 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.319 1.969 17840 3152 1 10 . 1 1 47 47 ASP H H 47 8.513 8.513 8.875 -0.362 17840 3153 1 10 . 1 1 48 48 GLU N N 48 118.126 118.126 119.964 -1.838 17840 3154 1 10 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.163 -0.090 17840 3155 1 10 . 1 1 48 48 GLU C C 48 176.976 176.976 176.975 0.001 17840 3156 1 10 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.457 1.583 17840 3157 1 10 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.219 -1.562 17840 3158 1 10 . 1 1 48 48 GLU H H 48 9.618 9.618 8.546 1.072 17840 3159 1 10 . 1 1 49 49 ILE N N 49 105.335 105.335 111.394 -6.059 17840 3160 1 10 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.340 0.279 17840 3161 1 10 . 1 1 49 49 ILE C C 49 175.290 175.290 173.939 1.351 17840 3162 1 10 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.422 0.967 17840 3163 1 10 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.257 1.084 17840 3164 1 10 . 1 1 49 49 ILE H H 49 6.187 6.187 7.717 -1.530 17840 3165 1 10 . 1 1 50 50 LYS N N 50 124.144 124.144 118.316 5.828 17840 3166 1 10 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.616 0.557 17840 3167 1 10 . 1 1 50 50 LYS C C 50 174.159 174.159 174.393 -0.234 17840 3168 1 10 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.850 -0.934 17840 3169 1 10 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.873 -0.524 17840 3170 1 10 . 1 1 50 50 LYS H H 50 7.659 7.659 8.305 -0.646 17840 3171 1 10 . 1 1 51 51 THR N N 51 109.166 109.166 111.254 -2.088 17840 3172 1 10 . 1 1 51 51 THR HA H 51 5.650 5.650 5.098 0.552 17840 3173 1 10 . 1 1 51 51 THR C C 51 173.405 173.405 172.746 0.659 17840 3174 1 10 . 1 1 51 51 THR CA C 51 62.262 62.262 60.338 1.924 17840 3175 1 10 . 1 1 51 51 THR CB C 51 73.271 73.271 71.654 1.617 17840 3176 1 10 . 1 1 51 51 THR H H 51 6.843 6.843 7.376 -0.533 17840 3177 1 10 . 1 1 52 52 PHE N N 52 130.917 130.917 125.238 5.679 17840 3178 1 10 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.002 0.557 17840 3179 1 10 . 1 1 52 52 PHE C C 52 173.627 173.627 174.369 -0.742 17840 3180 1 10 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.779 0.491 17840 3181 1 10 . 1 1 52 52 PHE CB C 52 42.155 42.155 43.104 -0.949 17840 3182 1 10 . 1 1 52 52 PHE H H 52 10.025 10.025 8.440 1.585 17840 3183 1 10 . 1 1 53 53 THR N N 53 117.627 117.627 114.897 2.730 17840 3184 1 10 . 1 1 53 53 THR HA H 53 5.217 5.217 4.568 0.649 17840 3185 1 10 . 1 1 53 53 THR C C 53 171.586 171.586 172.528 -0.942 17840 3186 1 10 . 1 1 53 53 THR CA C 53 61.724 61.724 60.756 0.968 17840 3187 1 10 . 1 1 53 53 THR CB C 53 70.567 70.567 71.499 -0.932 17840 3188 1 10 . 1 1 53 53 THR H H 53 8.927 8.927 9.021 -0.094 17840 3189 1 10 . 1 1 54 54 VAL N N 54 124.587 124.587 124.340 0.247 17840 3190 1 10 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.106 0.321 17840 3191 1 10 . 1 1 54 54 VAL C C 54 172.873 172.873 175.618 -2.745 17840 3192 1 10 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.644 -1.025 17840 3193 1 10 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.597 1.065 17840 3194 1 10 . 1 1 54 54 VAL H H 54 8.302 8.302 8.015 0.287 17840 3195 1 10 . 1 1 55 55 THR N N 55 124.116 124.116 124.128 -0.012 17840 3196 1 10 . 1 1 55 55 THR HA H 55 4.769 4.769 4.740 0.029 17840 3197 1 10 . 1 1 55 55 THR C C 55 173.294 173.294 173.699 -0.405 17840 3198 1 10 . 1 1 55 55 THR CA C 55 61.698 61.698 61.750 -0.052 17840 3199 1 10 . 1 1 55 55 THR CB C 55 71.382 71.382 70.115 1.267 17840 3200 1 10 . 1 1 55 55 THR H H 55 8.229 8.229 8.514 -0.285 17840 3201 1 11 . 1 1 2 2 THR N N 2 123.900 123.900 117.577 6.323 17840 3202 1 11 . 1 1 2 2 THR HA H 2 4.311 4.311 4.527 -0.216 17840 3203 1 11 . 1 1 2 2 THR C C 2 172.130 172.130 173.387 -1.257 17840 3204 1 11 . 1 1 2 2 THR CA C 2 63.855 63.855 60.609 3.246 17840 3205 1 11 . 1 1 2 2 THR CB C 2 68.688 68.688 69.503 -0.815 17840 3206 1 11 . 1 1 2 2 THR H H 2 8.670 8.670 8.232 0.438 17840 3207 1 11 . 1 1 3 3 TYR N N 3 127.206 127.206 128.861 -1.655 17840 3208 1 11 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.333 0.028 17840 3209 1 11 . 1 1 3 3 TYR C C 3 173.427 173.427 174.239 -0.812 17840 3210 1 11 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.644 0.309 17840 3211 1 11 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.439 0.669 17840 3212 1 11 . 1 1 3 3 TYR H H 3 8.657 8.657 8.200 0.457 17840 3213 1 11 . 1 1 4 4 LYS N N 4 120.377 120.377 124.135 -3.758 17840 3214 1 11 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.503 -0.102 17840 3215 1 11 . 1 1 4 4 LYS C C 4 172.296 172.296 174.150 -1.854 17840 3216 1 11 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.193 0.467 17840 3217 1 11 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.013 -1.063 17840 3218 1 11 . 1 1 4 4 LYS H H 4 8.599 8.599 8.383 0.216 17840 3219 1 11 . 1 1 5 5 LEU N N 5 126.484 126.484 120.898 5.586 17840 3220 1 11 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.383 -0.360 17840 3221 1 11 . 1 1 5 5 LEU C C 5 174.359 174.359 174.785 -0.426 17840 3222 1 11 . 1 1 5 5 LEU CA C 5 52.537 52.537 52.845 -0.308 17840 3223 1 11 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.076 -1.914 17840 3224 1 11 . 1 1 5 5 LEU H H 5 8.781 8.781 8.621 0.160 17840 3225 1 11 . 1 1 6 6 ILE N N 6 126.235 126.235 122.902 3.333 17840 3226 1 11 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.002 -0.634 17840 3227 1 11 . 1 1 6 6 ILE C C 6 173.982 173.982 174.845 -0.863 17840 3228 1 11 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.769 0.694 17840 3229 1 11 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.707 -0.991 17840 3230 1 11 . 1 1 6 6 ILE H H 6 8.895 8.895 8.556 0.339 17840 3231 1 11 . 1 1 7 7 LEU N N 7 125.986 125.986 128.162 -2.176 17840 3232 1 11 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.635 -0.238 17840 3233 1 11 . 1 1 7 7 LEU C C 7 173.915 173.915 175.259 -1.344 17840 3234 1 11 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.972 -0.343 17840 3235 1 11 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.521 -2.209 17840 3236 1 11 . 1 1 7 7 LEU H H 7 8.627 8.627 8.055 0.572 17840 3237 1 11 . 1 1 8 8 ASN N N 8 125.244 125.244 119.967 5.277 17840 3238 1 11 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.097 -0.027 17840 3239 1 11 . 1 1 8 8 ASN C C 8 173.960 173.960 174.464 -0.504 17840 3240 1 11 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.291 -0.478 17840 3241 1 11 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.730 -2.868 17840 3242 1 11 . 1 1 8 8 ASN H H 8 8.762 8.762 8.823 -0.061 17840 3243 1 11 . 1 1 9 9 LEU N N 9 121.294 121.294 119.328 1.966 17840 3244 1 11 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.772 -0.139 17840 3245 1 11 . 1 1 9 9 LEU C C 9 176.821 176.821 176.668 0.153 17840 3246 1 11 . 1 1 9 9 LEU CA C 9 53.418 53.418 55.014 -1.596 17840 3247 1 11 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.553 -2.131 17840 3248 1 11 . 1 1 9 9 LEU H H 9 7.409 7.409 7.884 -0.475 17840 3249 1 11 . 1 1 10 10 LYS N N 10 120.567 120.567 119.087 1.480 17840 3250 1 11 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.654 -0.718 17840 3251 1 11 . 1 1 10 10 LYS C C 10 179.217 179.217 176.084 3.133 17840 3252 1 11 . 1 1 10 10 LYS CA C 10 59.712 59.712 55.502 4.210 17840 3253 1 11 . 1 1 10 10 LYS CB C 10 31.806 31.806 33.109 -1.303 17840 3254 1 11 . 1 1 10 10 LYS H H 10 8.935 8.935 7.503 1.432 17840 3255 1 11 . 1 1 11 11 GLN N N 11 112.875 112.875 121.842 -8.967 17840 3256 1 11 . 1 1 11 11 GLN HA H 11 4.311 4.311 3.792 0.519 17840 3257 1 11 . 1 1 11 11 GLN C C 11 174.891 174.891 175.486 -0.595 17840 3258 1 11 . 1 1 11 11 GLN CA C 11 55.966 55.966 58.524 -2.558 17840 3259 1 11 . 1 1 11 11 GLN CB C 11 29.158 29.158 27.582 1.575 17840 3260 1 11 . 1 1 11 11 GLN H H 11 8.296 8.296 8.938 -0.642 17840 3261 1 11 . 1 1 12 12 ALA N N 12 119.661 119.661 122.775 -3.114 17840 3262 1 11 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.280 0.045 17840 3263 1 11 . 1 1 12 12 ALA C C 12 173.760 173.760 175.758 -1.998 17840 3264 1 11 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.647 -0.138 17840 3265 1 11 . 1 1 12 12 ALA CB C 12 21.412 21.412 19.908 1.504 17840 3266 1 11 . 1 1 12 12 ALA H H 12 6.849 6.849 8.201 -1.352 17840 3267 1 11 . 1 1 13 13 LYS N N 13 119.342 119.342 118.487 0.855 17840 3268 1 11 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.169 0.102 17840 3269 1 11 . 1 1 13 13 LYS C C 13 175.801 175.801 175.453 0.348 17840 3270 1 11 . 1 1 13 13 LYS CA C 13 55.135 55.135 54.293 0.842 17840 3271 1 11 . 1 1 13 13 LYS CB C 13 33.692 33.692 35.035 -1.343 17840 3272 1 11 . 1 1 13 13 LYS H H 13 8.050 8.050 8.054 -0.004 17840 3273 1 11 . 1 1 14 14 GLU N N 14 123.266 123.266 120.614 2.652 17840 3274 1 11 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.419 0.320 17840 3275 1 11 . 1 1 14 14 GLU C C 14 173.316 173.316 175.560 -2.244 17840 3276 1 11 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.327 -0.485 17840 3277 1 11 . 1 1 14 14 GLU CB C 14 34.360 34.360 31.403 2.957 17840 3278 1 11 . 1 1 14 14 GLU H H 14 8.327 8.327 8.921 -0.594 17840 3279 1 11 . 1 1 15 15 GLU N N 15 119.898 119.898 122.373 -2.475 17840 3280 1 11 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.049 0.460 17840 3281 1 11 . 1 1 15 15 GLU C C 15 174.270 174.270 175.145 -0.875 17840 3282 1 11 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.110 -0.455 17840 3283 1 11 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.115 1.916 17840 3284 1 11 . 1 1 15 15 GLU H H 15 8.386 8.386 8.621 -0.235 17840 3285 1 11 . 1 1 16 16 ALA N N 16 125.415 125.415 128.614 -3.199 17840 3286 1 11 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.983 -0.109 17840 3287 1 11 . 1 1 16 16 ALA C C 16 174.403 174.403 175.253 -0.850 17840 3288 1 11 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.527 -0.163 17840 3289 1 11 . 1 1 16 16 ALA CB C 16 22.496 22.496 22.257 0.239 17840 3290 1 11 . 1 1 16 16 ALA H H 16 8.911 8.911 8.531 0.380 17840 3291 1 11 . 1 1 17 17 ILE N N 17 117.476 117.476 118.928 -1.452 17840 3292 1 11 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.242 0.226 17840 3293 1 11 . 1 1 17 17 ILE C C 17 175.712 175.712 175.052 0.660 17840 3294 1 11 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.085 -0.212 17840 3295 1 11 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.716 1.447 17840 3296 1 11 . 1 1 17 17 ILE H H 17 8.329 8.329 8.495 -0.166 17840 3297 1 11 . 1 1 18 18 LYS N N 18 125.884 125.884 125.772 0.112 17840 3298 1 11 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.661 -0.241 17840 3299 1 11 . 1 1 18 18 LYS C C 18 172.873 172.873 175.181 -2.308 17840 3300 1 11 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.368 -0.249 17840 3301 1 11 . 1 1 18 18 LYS CB C 18 37.230 37.230 34.251 2.979 17840 3302 1 11 . 1 1 18 18 LYS H H 18 9.050 9.050 9.164 -0.114 17840 3303 1 11 . 1 1 19 19 GLU N N 19 128.105 128.105 124.350 3.755 17840 3304 1 11 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.729 0.244 17840 3305 1 11 . 1 1 19 19 GLU C C 19 175.135 175.135 174.913 0.222 17840 3306 1 11 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.922 -0.522 17840 3307 1 11 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.808 -0.492 17840 3308 1 11 . 1 1 19 19 GLU H H 19 8.241 8.241 8.528 -0.287 17840 3309 1 11 . 1 1 20 20 LEU N N 20 127.206 127.206 126.438 0.768 17840 3310 1 11 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.664 -0.449 17840 3311 1 11 . 1 1 20 20 LEU C C 20 177.531 177.531 176.524 1.007 17840 3312 1 11 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.567 -0.361 17840 3313 1 11 . 1 1 20 20 LEU CB C 20 45.684 45.684 45.699 -0.015 17840 3314 1 11 . 1 1 20 20 LEU H H 20 8.563 8.563 8.338 0.225 17840 3315 1 11 . 1 1 21 21 VAL N N 21 116.204 116.204 115.695 0.509 17840 3316 1 11 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.325 -0.311 17840 3317 1 11 . 1 1 21 21 VAL C C 21 175.002 175.002 175.132 -0.130 17840 3318 1 11 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.620 2.714 17840 3319 1 11 . 1 1 21 21 VAL CB C 21 31.927 31.927 31.623 0.304 17840 3320 1 11 . 1 1 21 21 VAL H H 21 8.094 8.094 8.331 -0.237 17840 3321 1 11 . 1 1 22 22 ASP N N 22 114.375 114.375 120.481 -6.106 17840 3322 1 11 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.753 0.085 17840 3323 1 11 . 1 1 22 22 ASP C C 22 174.536 174.536 175.570 -1.034 17840 3324 1 11 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.100 -0.953 17840 3325 1 11 . 1 1 22 22 ASP CB C 22 42.692 42.692 44.518 -1.826 17840 3326 1 11 . 1 1 22 22 ASP H H 22 6.862 6.862 7.656 -0.794 17840 3327 1 11 . 1 1 23 23 ALA N N 23 121.084 121.084 126.178 -5.094 17840 3328 1 11 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.274 -1.274 17840 3329 1 11 . 1 1 23 23 ALA C C 23 180.082 180.082 178.710 1.372 17840 3330 1 11 . 1 1 23 23 ALA CA C 23 54.843 54.843 54.358 0.485 17840 3331 1 11 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.561 -1.941 17840 3332 1 11 . 1 1 23 23 ALA H H 23 8.389 8.389 8.680 -0.291 17840 3333 1 11 . 1 1 24 24 GLY N N 24 108.035 108.035 107.147 0.888 17840 3334 1 11 . 1 1 24 24 GLY C C 24 176.910 176.910 175.284 1.626 17840 3335 1 11 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.809 0.223 17840 3336 1 11 . 1 1 24 24 GLY H H 24 8.391 8.391 8.266 0.125 17840 3337 1 11 . 1 1 25 25 THR N N 25 120.237 120.237 120.012 0.225 17840 3338 1 11 . 1 1 25 25 THR HA H 25 4.000 4.000 4.021 -0.021 17840 3339 1 11 . 1 1 25 25 THR C C 25 176.555 176.555 176.443 0.112 17840 3340 1 11 . 1 1 25 25 THR CA C 25 66.900 66.900 66.923 -0.023 17840 3341 1 11 . 1 1 25 25 THR CB C 25 68.095 68.095 68.364 -0.269 17840 3342 1 11 . 1 1 25 25 THR H H 25 8.071 8.071 8.111 -0.040 17840 3343 1 11 . 1 1 26 26 ALA N N 26 124.685 124.685 122.338 2.347 17840 3344 1 11 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.125 -0.664 17840 3345 1 11 . 1 1 26 26 ALA C C 26 175.734 175.734 178.804 -3.070 17840 3346 1 11 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.754 -1.911 17840 3347 1 11 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.243 -0.841 17840 3348 1 11 . 1 1 26 26 ALA H H 26 7.444 7.444 7.812 -0.368 17840 3349 1 11 . 1 1 27 27 GLU N N 27 119.278 119.278 118.439 0.839 17840 3350 1 11 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.279 -1.482 17840 3351 1 11 . 1 1 27 27 GLU C C 27 177.131 177.131 178.900 -1.769 17840 3352 1 11 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.149 0.988 17840 3353 1 11 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.198 0.029 17840 3354 1 11 . 1 1 27 27 GLU H H 27 8.121 8.121 7.472 0.649 17840 3355 1 11 . 1 1 28 28 LYS N N 28 115.377 115.377 120.550 -5.173 17840 3356 1 11 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.074 -0.434 17840 3357 1 11 . 1 1 28 28 LYS C C 28 178.640 178.640 178.856 -0.216 17840 3358 1 11 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.704 0.147 17840 3359 1 11 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.545 -0.139 17840 3360 1 11 . 1 1 28 28 LYS H H 28 6.847 6.847 8.464 -1.617 17840 3361 1 11 . 1 1 29 29 TYR N N 29 119.713 119.713 120.611 -0.898 17840 3362 1 11 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.115 -0.006 17840 3363 1 11 . 1 1 29 29 TYR C C 29 177.619 177.619 178.076 -0.457 17840 3364 1 11 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.102 -0.829 17840 3365 1 11 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.462 -0.489 17840 3366 1 11 . 1 1 29 29 TYR H H 29 7.358 7.358 7.783 -0.425 17840 3367 1 11 . 1 1 30 30 PHE N N 30 117.565 117.565 117.934 -0.369 17840 3368 1 11 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.191 0.316 17840 3369 1 11 . 1 1 30 30 PHE C C 30 178.507 178.507 177.881 0.626 17840 3370 1 11 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.321 -2.759 17840 3371 1 11 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.702 -1.079 17840 3372 1 11 . 1 1 30 30 PHE H H 30 8.601 8.601 7.998 0.603 17840 3373 1 11 . 1 1 31 31 LYS N N 31 121.534 121.534 120.407 1.127 17840 3374 1 11 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.190 -0.172 17840 3375 1 11 . 1 1 31 31 LYS C C 31 178.751 178.751 179.209 -0.458 17840 3376 1 11 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.705 0.254 17840 3377 1 11 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.199 -0.495 17840 3378 1 11 . 1 1 31 31 LYS H H 31 8.310 8.310 7.861 0.449 17840 3379 1 11 . 1 1 32 32 LEU N N 32 118.368 118.368 120.718 -2.350 17840 3380 1 11 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.942 0.184 17840 3381 1 11 . 1 1 32 32 LEU C C 32 180.636 180.636 178.743 1.893 17840 3382 1 11 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.434 -0.344 17840 3383 1 11 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.946 -0.649 17840 3384 1 11 . 1 1 32 32 LEU H H 32 6.890 6.890 7.699 -0.809 17840 3385 1 11 . 1 1 33 33 ILE N N 33 118.866 118.866 119.295 -0.429 17840 3386 1 11 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.615 0.082 17840 3387 1 11 . 1 1 33 33 ILE C C 33 178.485 178.485 177.474 1.011 17840 3388 1 11 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.508 0.376 17840 3389 1 11 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.710 -0.196 17840 3390 1 11 . 1 1 33 33 ILE H H 33 6.985 6.985 7.654 -0.669 17840 3391 1 11 . 1 1 34 34 ALA N N 34 121.160 121.160 121.548 -0.388 17840 3392 1 11 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.932 0.007 17840 3393 1 11 . 1 1 34 34 ALA C C 34 179.372 179.372 179.372 0.000 17840 3394 1 11 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.378 -0.145 17840 3395 1 11 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.121 0.553 17840 3396 1 11 . 1 1 34 34 ALA H H 34 8.312 8.312 8.442 -0.130 17840 3397 1 11 . 1 1 35 35 ASN N N 35 116.166 116.166 116.325 -0.159 17840 3398 1 11 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.623 -0.037 17840 3399 1 11 . 1 1 35 35 ASN C C 35 173.871 173.871 176.526 -2.655 17840 3400 1 11 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.594 0.101 17840 3401 1 11 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.482 -0.351 17840 3402 1 11 . 1 1 35 35 ASN H H 35 8.222 8.222 8.041 0.181 17840 3403 1 11 . 1 1 36 36 ALA N N 36 121.269 121.269 120.854 0.415 17840 3404 1 11 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.345 -0.065 17840 3405 1 11 . 1 1 36 36 ALA C C 36 178.507 178.507 178.966 -0.459 17840 3406 1 11 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.491 0.592 17840 3407 1 11 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.138 -0.227 17840 3408 1 11 . 1 1 36 36 ALA H H 36 7.397 7.397 7.442 -0.045 17840 3409 1 11 . 1 1 37 37 LYS N N 37 116.114 116.114 118.742 -2.628 17840 3410 1 11 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.225 0.081 17840 3411 1 11 . 1 1 37 37 LYS C C 37 175.401 175.401 177.471 -2.070 17840 3412 1 11 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.891 -1.628 17840 3413 1 11 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.341 0.590 17840 3414 1 11 . 1 1 37 37 LYS H H 37 7.371 7.371 7.892 -0.521 17840 3415 1 11 . 1 1 38 38 THR N N 38 113.187 113.187 111.790 1.397 17840 3416 1 11 . 1 1 38 38 THR HA H 38 4.300 4.300 4.572 -0.272 17840 3417 1 11 . 1 1 38 38 THR C C 38 173.139 173.139 172.674 0.465 17840 3418 1 11 . 1 1 38 38 THR CA C 38 61.530 61.530 61.396 0.134 17840 3419 1 11 . 1 1 38 38 THR CB C 38 69.468 69.468 70.412 -0.944 17840 3420 1 11 . 1 1 38 38 THR H H 38 7.812 7.812 7.908 -0.096 17840 3421 1 11 . 1 1 39 39 VAL N N 39 122.490 122.490 118.163 4.327 17840 3422 1 11 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.583 -0.331 17840 3423 1 11 . 1 1 39 39 VAL C C 39 174.869 174.869 174.653 0.216 17840 3424 1 11 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.856 -0.346 17840 3425 1 11 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.736 -0.075 17840 3426 1 11 . 1 1 39 39 VAL H H 39 8.091 8.091 7.986 0.105 17840 3427 1 11 . 1 1 40 40 GLU N N 40 124.998 124.998 125.101 -0.103 17840 3428 1 11 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.537 0.007 17840 3429 1 11 . 1 1 40 40 GLU C C 40 174.913 174.913 175.517 -0.604 17840 3430 1 11 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.477 -1.080 17840 3431 1 11 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.183 0.314 17840 3432 1 11 . 1 1 40 40 GLU H H 40 8.479 8.479 8.494 -0.015 17840 3433 1 11 . 1 1 41 41 GLY N N 41 107.295 107.295 107.269 0.026 17840 3434 1 11 . 1 1 41 41 GLY C C 41 174.558 174.558 173.006 1.552 17840 3435 1 11 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.143 0.158 17840 3436 1 11 . 1 1 41 41 GLY H H 41 7.868 7.868 8.028 -0.160 17840 3437 1 11 . 1 1 42 42 VAL N N 42 120.789 120.789 120.875 -0.086 17840 3438 1 11 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.615 -0.231 17840 3439 1 11 . 1 1 42 42 VAL C C 42 176.399 176.399 174.267 2.132 17840 3440 1 11 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.771 1.696 17840 3441 1 11 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.806 -1.413 17840 3442 1 11 . 1 1 42 42 VAL H H 42 8.087 8.087 7.822 0.265 17840 3443 1 11 . 1 1 43 43 TRP N N 43 130.892 130.892 126.912 3.980 17840 3444 1 11 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.066 0.182 17840 3445 1 11 . 1 1 43 43 TRP C C 43 176.821 176.821 175.994 0.827 17840 3446 1 11 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.410 1.617 17840 3447 1 11 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.798 -1.023 17840 3448 1 11 . 1 1 43 43 TRP H H 43 9.224 9.224 8.520 0.704 17840 3449 1 11 . 1 1 44 44 THR N N 44 114.739 114.739 118.948 -4.209 17840 3450 1 11 . 1 1 44 44 THR HA H 44 4.802 4.802 4.850 -0.048 17840 3451 1 11 . 1 1 44 44 THR C C 44 171.963 171.963 172.492 -0.529 17840 3452 1 11 . 1 1 44 44 THR CA C 44 60.996 60.996 61.244 -0.248 17840 3453 1 11 . 1 1 44 44 THR CB C 44 72.649 72.649 71.934 0.715 17840 3454 1 11 . 1 1 44 44 THR H H 44 9.093 9.093 9.185 -0.092 17840 3455 1 11 . 1 1 45 45 TYR N N 45 121.068 121.068 121.844 -0.776 17840 3456 1 11 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.874 0.130 17840 3457 1 11 . 1 1 45 45 TYR C C 45 173.472 173.472 173.995 -0.523 17840 3458 1 11 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.336 -0.252 17840 3459 1 11 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.488 -1.254 17840 3460 1 11 . 1 1 45 45 TYR H H 45 8.474 8.474 8.516 -0.042 17840 3461 1 11 . 1 1 46 46 LYS N N 46 128.497 128.497 124.893 3.604 17840 3462 1 11 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.483 -0.150 17840 3463 1 11 . 1 1 46 46 LYS C C 46 174.847 174.847 174.852 -0.005 17840 3464 1 11 . 1 1 46 46 LYS CA C 46 53.972 53.972 55.200 -1.228 17840 3465 1 11 . 1 1 46 46 LYS CB C 46 33.847 33.847 33.915 -0.068 17840 3466 1 11 . 1 1 46 46 LYS H H 46 7.144 7.144 7.625 -0.481 17840 3467 1 11 . 1 1 47 47 ASP N N 47 126.400 126.400 124.974 1.426 17840 3468 1 11 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.289 -0.285 17840 3469 1 11 . 1 1 47 47 ASP C C 47 179.191 179.191 176.575 2.616 17840 3470 1 11 . 1 1 47 47 ASP CA C 47 57.428 57.428 55.077 2.351 17840 3471 1 11 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.468 0.820 17840 3472 1 11 . 1 1 47 47 ASP H H 47 8.513 8.513 8.732 -0.219 17840 3473 1 11 . 1 1 48 48 GLU N N 48 118.126 118.126 118.748 -0.622 17840 3474 1 11 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.137 -0.064 17840 3475 1 11 . 1 1 48 48 GLU C C 48 176.976 176.976 177.074 -0.098 17840 3476 1 11 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.528 1.512 17840 3477 1 11 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.798 -1.141 17840 3478 1 11 . 1 1 48 48 GLU H H 48 9.618 9.618 8.350 1.268 17840 3479 1 11 . 1 1 49 49 ILE N N 49 105.335 105.335 112.204 -6.869 17840 3480 1 11 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.283 0.336 17840 3481 1 11 . 1 1 49 49 ILE C C 49 175.290 175.290 174.247 1.043 17840 3482 1 11 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.463 0.926 17840 3483 1 11 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.923 0.418 17840 3484 1 11 . 1 1 49 49 ILE H H 49 6.187 6.187 7.320 -1.133 17840 3485 1 11 . 1 1 50 50 LYS N N 50 124.144 124.144 118.440 5.704 17840 3486 1 11 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.593 0.580 17840 3487 1 11 . 1 1 50 50 LYS C C 50 174.159 174.159 174.492 -0.333 17840 3488 1 11 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.768 -0.852 17840 3489 1 11 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.534 0.815 17840 3490 1 11 . 1 1 50 50 LYS H H 50 7.659 7.659 7.716 -0.057 17840 3491 1 11 . 1 1 51 51 THR N N 51 109.166 109.166 113.793 -4.627 17840 3492 1 11 . 1 1 51 51 THR HA H 51 5.650 5.650 5.261 0.389 17840 3493 1 11 . 1 1 51 51 THR C C 51 173.405 173.405 172.219 1.186 17840 3494 1 11 . 1 1 51 51 THR CA C 51 62.262 62.262 60.818 1.444 17840 3495 1 11 . 1 1 51 51 THR CB C 51 73.271 73.271 71.126 2.145 17840 3496 1 11 . 1 1 51 51 THR H H 51 6.843 6.843 7.523 -0.680 17840 3497 1 11 . 1 1 52 52 PHE N N 52 130.917 130.917 126.835 4.082 17840 3498 1 11 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.060 0.499 17840 3499 1 11 . 1 1 52 52 PHE C C 52 173.627 173.627 174.566 -0.939 17840 3500 1 11 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.306 0.964 17840 3501 1 11 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.776 -0.621 17840 3502 1 11 . 1 1 52 52 PHE H H 52 10.025 10.025 8.755 1.270 17840 3503 1 11 . 1 1 53 53 THR N N 53 117.627 117.627 115.241 2.386 17840 3504 1 11 . 1 1 53 53 THR HA H 53 5.217 5.217 4.617 0.600 17840 3505 1 11 . 1 1 53 53 THR C C 53 171.586 171.586 172.559 -0.973 17840 3506 1 11 . 1 1 53 53 THR CA C 53 61.724 61.724 60.966 0.758 17840 3507 1 11 . 1 1 53 53 THR CB C 53 70.567 70.567 71.270 -0.703 17840 3508 1 11 . 1 1 53 53 THR H H 53 8.927 8.927 9.213 -0.286 17840 3509 1 11 . 1 1 54 54 VAL N N 54 124.587 124.587 126.118 -1.531 17840 3510 1 11 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.846 0.581 17840 3511 1 11 . 1 1 54 54 VAL C C 54 172.873 172.873 175.311 -2.438 17840 3512 1 11 . 1 1 54 54 VAL CA C 54 59.619 59.619 61.277 -1.658 17840 3513 1 11 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.045 0.617 17840 3514 1 11 . 1 1 54 54 VAL H H 54 8.302 8.302 8.036 0.266 17840 3515 1 11 . 1 1 55 55 THR N N 55 124.116 124.116 124.724 -0.608 17840 3516 1 11 . 1 1 55 55 THR HA H 55 4.769 4.769 5.084 -0.315 17840 3517 1 11 . 1 1 55 55 THR C C 55 173.294 173.294 173.755 -0.461 17840 3518 1 11 . 1 1 55 55 THR CA C 55 61.698 61.698 60.995 0.703 17840 3519 1 11 . 1 1 55 55 THR CB C 55 71.382 71.382 70.546 0.836 17840 3520 1 11 . 1 1 55 55 THR H H 55 8.229 8.229 8.177 0.052 17840 3521 1 12 . 1 1 2 2 THR N N 2 123.900 123.900 123.897 0.003 17840 3522 1 12 . 1 1 2 2 THR HA H 2 4.311 4.311 4.479 -0.168 17840 3523 1 12 . 1 1 2 2 THR C C 2 172.130 172.130 173.430 -1.300 17840 3524 1 12 . 1 1 2 2 THR CA C 2 63.855 63.855 62.552 1.303 17840 3525 1 12 . 1 1 2 2 THR CB C 2 68.688 68.688 69.065 -0.377 17840 3526 1 12 . 1 1 2 2 THR H H 2 8.670 8.670 8.372 0.298 17840 3527 1 12 . 1 1 3 3 TYR N N 3 127.206 127.206 126.661 0.545 17840 3528 1 12 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.065 0.296 17840 3529 1 12 . 1 1 3 3 TYR C C 3 173.427 173.427 174.433 -1.006 17840 3530 1 12 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.252 0.701 17840 3531 1 12 . 1 1 3 3 TYR CB C 3 43.108 43.108 43.058 0.050 17840 3532 1 12 . 1 1 3 3 TYR H H 3 8.657 8.657 8.464 0.193 17840 3533 1 12 . 1 1 4 4 LYS N N 4 120.377 120.377 123.009 -2.632 17840 3534 1 12 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.511 -0.110 17840 3535 1 12 . 1 1 4 4 LYS C C 4 172.296 172.296 174.271 -1.975 17840 3536 1 12 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.336 0.324 17840 3537 1 12 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.624 -1.674 17840 3538 1 12 . 1 1 4 4 LYS H H 4 8.599 8.599 8.511 0.088 17840 3539 1 12 . 1 1 5 5 LEU N N 5 126.484 126.484 122.162 4.322 17840 3540 1 12 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.622 -0.599 17840 3541 1 12 . 1 1 5 5 LEU C C 5 174.359 174.359 174.923 -0.564 17840 3542 1 12 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.519 -0.982 17840 3543 1 12 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.206 -2.044 17840 3544 1 12 . 1 1 5 5 LEU H H 5 8.781 8.781 8.623 0.158 17840 3545 1 12 . 1 1 6 6 ILE N N 6 126.235 126.235 123.777 2.458 17840 3546 1 12 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.792 -0.424 17840 3547 1 12 . 1 1 6 6 ILE C C 6 173.982 173.982 174.753 -0.771 17840 3548 1 12 . 1 1 6 6 ILE CA C 6 60.462 60.462 60.252 0.210 17840 3549 1 12 . 1 1 6 6 ILE CB C 6 38.716 38.716 40.300 -1.584 17840 3550 1 12 . 1 1 6 6 ILE H H 6 8.895 8.895 8.723 0.172 17840 3551 1 12 . 1 1 7 7 LEU N N 7 125.986 125.986 128.197 -2.211 17840 3552 1 12 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.665 -0.268 17840 3553 1 12 . 1 1 7 7 LEU C C 7 173.915 173.915 175.100 -1.185 17840 3554 1 12 . 1 1 7 7 LEU CA C 7 53.629 53.629 54.121 -0.492 17840 3555 1 12 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.473 -2.161 17840 3556 1 12 . 1 1 7 7 LEU H H 7 8.627 8.627 7.736 0.891 17840 3557 1 12 . 1 1 8 8 ASN N N 8 125.244 125.244 122.682 2.562 17840 3558 1 12 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.953 0.117 17840 3559 1 12 . 1 1 8 8 ASN C C 8 173.960 173.960 173.734 0.226 17840 3560 1 12 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.714 -0.901 17840 3561 1 12 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.399 -2.537 17840 3562 1 12 . 1 1 8 8 ASN H H 8 8.762 8.762 8.718 0.044 17840 3563 1 12 . 1 1 9 9 LEU N N 9 121.294 121.294 122.244 -0.950 17840 3564 1 12 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.875 -0.242 17840 3565 1 12 . 1 1 9 9 LEU C C 9 176.821 176.821 176.945 -0.124 17840 3566 1 12 . 1 1 9 9 LEU CA C 9 53.418 53.418 53.607 -0.189 17840 3567 1 12 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.938 -1.516 17840 3568 1 12 . 1 1 9 9 LEU H H 9 7.409 7.409 8.253 -0.844 17840 3569 1 12 . 1 1 10 10 LYS N N 10 120.567 120.567 123.130 -2.563 17840 3570 1 12 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.795 0.141 17840 3571 1 12 . 1 1 10 10 LYS C C 10 179.217 179.217 176.607 2.610 17840 3572 1 12 . 1 1 10 10 LYS CA C 10 59.712 59.712 59.111 0.601 17840 3573 1 12 . 1 1 10 10 LYS CB C 10 31.806 31.806 31.055 0.751 17840 3574 1 12 . 1 1 10 10 LYS H H 10 8.935 8.935 8.955 -0.020 17840 3575 1 12 . 1 1 11 11 GLN N N 11 112.875 112.875 118.271 -5.396 17840 3576 1 12 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.355 -0.044 17840 3577 1 12 . 1 1 11 11 GLN C C 11 174.891 174.891 175.537 -0.646 17840 3578 1 12 . 1 1 11 11 GLN CA C 11 55.966 55.966 55.997 -0.031 17840 3579 1 12 . 1 1 11 11 GLN CB C 11 29.158 29.158 31.583 -2.425 17840 3580 1 12 . 1 1 11 11 GLN H H 11 8.296 8.296 8.394 -0.098 17840 3581 1 12 . 1 1 12 12 ALA N N 12 119.661 119.661 124.824 -5.163 17840 3582 1 12 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.334 -0.009 17840 3583 1 12 . 1 1 12 12 ALA C C 12 173.760 173.760 175.848 -2.088 17840 3584 1 12 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.733 -0.224 17840 3585 1 12 . 1 1 12 12 ALA CB C 12 21.412 21.412 19.609 1.803 17840 3586 1 12 . 1 1 12 12 ALA H H 12 6.849 6.849 8.140 -1.291 17840 3587 1 12 . 1 1 13 13 LYS N N 13 119.342 119.342 123.399 -4.057 17840 3588 1 12 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.235 0.036 17840 3589 1 12 . 1 1 13 13 LYS C C 13 175.801 175.801 175.993 -0.192 17840 3590 1 12 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.117 0.018 17840 3591 1 12 . 1 1 13 13 LYS CB C 13 33.692 33.692 35.200 -1.508 17840 3592 1 12 . 1 1 13 13 LYS H H 13 8.050 8.050 8.337 -0.287 17840 3593 1 12 . 1 1 14 14 GLU N N 14 123.266 123.266 123.832 -0.566 17840 3594 1 12 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.453 0.286 17840 3595 1 12 . 1 1 14 14 GLU C C 14 173.316 173.316 175.164 -1.848 17840 3596 1 12 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.571 -0.729 17840 3597 1 12 . 1 1 14 14 GLU CB C 14 34.360 34.360 31.767 2.593 17840 3598 1 12 . 1 1 14 14 GLU H H 14 8.327 8.327 9.047 -0.720 17840 3599 1 12 . 1 1 15 15 GLU N N 15 119.898 119.898 120.524 -0.626 17840 3600 1 12 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.374 0.135 17840 3601 1 12 . 1 1 15 15 GLU C C 15 174.270 174.270 174.732 -0.462 17840 3602 1 12 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.792 -1.137 17840 3603 1 12 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.439 1.592 17840 3604 1 12 . 1 1 15 15 GLU H H 15 8.386 8.386 8.465 -0.079 17840 3605 1 12 . 1 1 16 16 ALA N N 16 125.415 125.415 127.569 -2.154 17840 3606 1 12 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.630 0.244 17840 3607 1 12 . 1 1 16 16 ALA C C 16 174.403 174.403 175.012 -0.609 17840 3608 1 12 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.902 -0.538 17840 3609 1 12 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.470 1.026 17840 3610 1 12 . 1 1 16 16 ALA H H 16 8.911 8.911 8.395 0.516 17840 3611 1 12 . 1 1 17 17 ILE N N 17 117.476 117.476 121.703 -4.227 17840 3612 1 12 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.129 0.339 17840 3613 1 12 . 1 1 17 17 ILE C C 17 175.712 175.712 175.363 0.349 17840 3614 1 12 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.396 -0.523 17840 3615 1 12 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.663 1.500 17840 3616 1 12 . 1 1 17 17 ILE H H 17 8.329 8.329 8.436 -0.107 17840 3617 1 12 . 1 1 18 18 LYS N N 18 125.884 125.884 127.708 -1.824 17840 3618 1 12 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.628 -0.208 17840 3619 1 12 . 1 1 18 18 LYS C C 18 172.873 172.873 174.660 -1.787 17840 3620 1 12 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.142 -0.023 17840 3621 1 12 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.499 1.731 17840 3622 1 12 . 1 1 18 18 LYS H H 18 9.050 9.050 9.371 -0.321 17840 3623 1 12 . 1 1 19 19 GLU N N 19 128.105 128.105 128.927 -0.822 17840 3624 1 12 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.736 0.237 17840 3625 1 12 . 1 1 19 19 GLU C C 19 175.135 175.135 174.841 0.294 17840 3626 1 12 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.688 -0.288 17840 3627 1 12 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.740 -0.424 17840 3628 1 12 . 1 1 19 19 GLU H H 19 8.241 8.241 8.738 -0.497 17840 3629 1 12 . 1 1 20 20 LEU N N 20 127.206 127.206 127.454 -0.248 17840 3630 1 12 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.578 -0.363 17840 3631 1 12 . 1 1 20 20 LEU C C 20 177.531 177.531 176.093 1.438 17840 3632 1 12 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.537 -0.331 17840 3633 1 12 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.554 1.130 17840 3634 1 12 . 1 1 20 20 LEU H H 20 8.563 8.563 8.309 0.254 17840 3635 1 12 . 1 1 21 21 VAL N N 21 116.204 116.204 113.263 2.941 17840 3636 1 12 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.338 -0.324 17840 3637 1 12 . 1 1 21 21 VAL C C 21 175.002 175.002 175.096 -0.094 17840 3638 1 12 . 1 1 21 21 VAL CA C 21 65.334 65.334 61.834 3.500 17840 3639 1 12 . 1 1 21 21 VAL CB C 21 31.927 31.927 31.798 0.129 17840 3640 1 12 . 1 1 21 21 VAL H H 21 8.094 8.094 8.436 -0.342 17840 3641 1 12 . 1 1 22 22 ASP N N 22 114.375 114.375 119.630 -5.255 17840 3642 1 12 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.631 0.207 17840 3643 1 12 . 1 1 22 22 ASP C C 22 174.536 174.536 175.333 -0.797 17840 3644 1 12 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.484 -1.337 17840 3645 1 12 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.739 -1.047 17840 3646 1 12 . 1 1 22 22 ASP H H 22 6.862 6.862 7.497 -0.635 17840 3647 1 12 . 1 1 23 23 ALA N N 23 121.084 121.084 125.779 -4.695 17840 3648 1 12 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.459 -1.459 17840 3649 1 12 . 1 1 23 23 ALA C C 23 180.082 180.082 178.148 1.934 17840 3650 1 12 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.854 0.989 17840 3651 1 12 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.238 -1.618 17840 3652 1 12 . 1 1 23 23 ALA H H 23 8.389 8.389 8.644 -0.255 17840 3653 1 12 . 1 1 24 24 GLY N N 24 108.035 108.035 107.272 0.763 17840 3654 1 12 . 1 1 24 24 GLY C C 24 176.910 176.910 175.708 1.202 17840 3655 1 12 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.758 0.276 17840 3656 1 12 . 1 1 24 24 GLY H H 24 8.391 8.391 7.871 0.520 17840 3657 1 12 . 1 1 25 25 THR N N 25 120.237 120.237 117.021 3.216 17840 3658 1 12 . 1 1 25 25 THR HA H 25 4.000 4.000 3.919 0.081 17840 3659 1 12 . 1 1 25 25 THR C C 25 176.555 176.555 176.143 0.412 17840 3660 1 12 . 1 1 25 25 THR CA C 25 66.900 66.900 65.480 1.420 17840 3661 1 12 . 1 1 25 25 THR CB C 25 68.095 68.095 67.469 0.627 17840 3662 1 12 . 1 1 25 25 THR H H 25 8.071 8.071 8.019 0.052 17840 3663 1 12 . 1 1 26 26 ALA N N 26 124.685 124.685 123.079 1.606 17840 3664 1 12 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.973 -0.512 17840 3665 1 12 . 1 1 26 26 ALA C C 26 175.734 175.734 178.913 -3.179 17840 3666 1 12 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.791 -1.948 17840 3667 1 12 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.666 -0.264 17840 3668 1 12 . 1 1 26 26 ALA H H 26 7.444 7.444 7.518 -0.074 17840 3669 1 12 . 1 1 27 27 GLU N N 27 119.278 119.278 118.156 1.122 17840 3670 1 12 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.054 -1.257 17840 3671 1 12 . 1 1 27 27 GLU C C 27 177.131 177.131 178.663 -1.532 17840 3672 1 12 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.408 0.729 17840 3673 1 12 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.288 -0.061 17840 3674 1 12 . 1 1 27 27 GLU H H 27 8.121 8.121 7.757 0.364 17840 3675 1 12 . 1 1 28 28 LYS N N 28 115.377 115.377 119.252 -3.875 17840 3676 1 12 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.177 -0.537 17840 3677 1 12 . 1 1 28 28 LYS C C 28 178.640 178.640 178.726 -0.086 17840 3678 1 12 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.008 0.844 17840 3679 1 12 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.554 -0.148 17840 3680 1 12 . 1 1 28 28 LYS H H 28 6.847 6.847 7.720 -0.873 17840 3681 1 12 . 1 1 29 29 TYR N N 29 119.713 119.713 121.787 -2.074 17840 3682 1 12 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.120 -0.011 17840 3683 1 12 . 1 1 29 29 TYR C C 29 177.619 177.619 178.156 -0.537 17840 3684 1 12 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.531 -1.258 17840 3685 1 12 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.687 -0.713 17840 3686 1 12 . 1 1 29 29 TYR H H 29 7.358 7.358 8.082 -0.724 17840 3687 1 12 . 1 1 30 30 PHE N N 30 117.565 117.565 116.944 0.621 17840 3688 1 12 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.311 0.196 17840 3689 1 12 . 1 1 30 30 PHE C C 30 178.507 178.507 177.890 0.617 17840 3690 1 12 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.910 -2.348 17840 3691 1 12 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.663 -1.040 17840 3692 1 12 . 1 1 30 30 PHE H H 30 8.601 8.601 8.735 -0.134 17840 3693 1 12 . 1 1 31 31 LYS N N 31 121.534 121.534 120.765 0.769 17840 3694 1 12 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.090 -0.072 17840 3695 1 12 . 1 1 31 31 LYS C C 31 178.751 178.751 179.151 -0.400 17840 3696 1 12 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.370 0.589 17840 3697 1 12 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.267 -0.563 17840 3698 1 12 . 1 1 31 31 LYS H H 31 8.310 8.310 7.690 0.620 17840 3699 1 12 . 1 1 32 32 LEU N N 32 118.368 118.368 121.654 -3.286 17840 3700 1 12 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.966 0.160 17840 3701 1 12 . 1 1 32 32 LEU C C 32 180.636 180.636 178.747 1.889 17840 3702 1 12 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.154 -0.064 17840 3703 1 12 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.011 -0.714 17840 3704 1 12 . 1 1 32 32 LEU H H 32 6.890 6.890 8.203 -1.313 17840 3705 1 12 . 1 1 33 33 ILE N N 33 118.866 118.866 118.907 -0.041 17840 3706 1 12 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.585 0.112 17840 3707 1 12 . 1 1 33 33 ILE C C 33 178.485 178.485 178.064 0.421 17840 3708 1 12 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.788 0.096 17840 3709 1 12 . 1 1 33 33 ILE CB C 33 37.514 37.514 36.610 0.904 17840 3710 1 12 . 1 1 33 33 ILE H H 33 6.985 6.985 7.671 -0.686 17840 3711 1 12 . 1 1 34 34 ALA N N 34 121.160 121.160 121.714 -0.554 17840 3712 1 12 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.865 0.073 17840 3713 1 12 . 1 1 34 34 ALA C C 34 179.372 179.372 179.536 -0.164 17840 3714 1 12 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.466 -0.233 17840 3715 1 12 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.130 0.544 17840 3716 1 12 . 1 1 34 34 ALA H H 34 8.312 8.312 8.474 -0.162 17840 3717 1 12 . 1 1 35 35 ASN N N 35 116.166 116.166 115.706 0.460 17840 3718 1 12 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.820 -0.234 17840 3719 1 12 . 1 1 35 35 ASN C C 35 173.871 173.871 176.406 -2.535 17840 3720 1 12 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.405 0.290 17840 3721 1 12 . 1 1 35 35 ASN CB C 35 38.131 38.131 39.064 -0.933 17840 3722 1 12 . 1 1 35 35 ASN H H 35 8.222 8.222 7.915 0.307 17840 3723 1 12 . 1 1 36 36 ALA N N 36 121.269 121.269 121.910 -0.641 17840 3724 1 12 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.340 -0.060 17840 3725 1 12 . 1 1 36 36 ALA C C 36 178.507 178.507 178.899 -0.392 17840 3726 1 12 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.675 0.408 17840 3727 1 12 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.153 -0.242 17840 3728 1 12 . 1 1 36 36 ALA H H 36 7.397 7.397 7.902 -0.505 17840 3729 1 12 . 1 1 37 37 LYS N N 37 116.114 116.114 118.283 -2.169 17840 3730 1 12 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.237 0.069 17840 3731 1 12 . 1 1 37 37 LYS C C 37 175.401 175.401 177.188 -1.787 17840 3732 1 12 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.530 -1.267 17840 3733 1 12 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.316 0.615 17840 3734 1 12 . 1 1 37 37 LYS H H 37 7.371 7.371 8.479 -1.108 17840 3735 1 12 . 1 1 38 38 THR N N 38 113.187 113.187 113.932 -0.745 17840 3736 1 12 . 1 1 38 38 THR HA H 38 4.300 4.300 4.544 -0.244 17840 3737 1 12 . 1 1 38 38 THR C C 38 173.139 173.139 172.979 0.160 17840 3738 1 12 . 1 1 38 38 THR CA C 38 61.530 61.530 60.868 0.662 17840 3739 1 12 . 1 1 38 38 THR CB C 38 69.468 69.468 71.417 -1.949 17840 3740 1 12 . 1 1 38 38 THR H H 38 7.812 7.812 7.845 -0.033 17840 3741 1 12 . 1 1 39 39 VAL N N 39 122.490 122.490 120.089 2.401 17840 3742 1 12 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.494 -0.242 17840 3743 1 12 . 1 1 39 39 VAL C C 39 174.869 174.869 174.691 0.178 17840 3744 1 12 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.534 0.976 17840 3745 1 12 . 1 1 39 39 VAL CB C 39 32.661 32.661 34.271 -1.610 17840 3746 1 12 . 1 1 39 39 VAL H H 39 8.091 8.091 8.236 -0.145 17840 3747 1 12 . 1 1 40 40 GLU N N 40 124.998 124.998 125.170 -0.172 17840 3748 1 12 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.476 0.068 17840 3749 1 12 . 1 1 40 40 GLU C C 40 174.913 174.913 176.148 -1.235 17840 3750 1 12 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.411 -1.014 17840 3751 1 12 . 1 1 40 40 GLU CB C 40 30.497 30.497 29.956 0.541 17840 3752 1 12 . 1 1 40 40 GLU H H 40 8.479 8.479 8.965 -0.486 17840 3753 1 12 . 1 1 41 41 GLY N N 41 107.295 107.295 110.338 -3.043 17840 3754 1 12 . 1 1 41 41 GLY C C 41 174.558 174.558 174.165 0.393 17840 3755 1 12 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.814 0.487 17840 3756 1 12 . 1 1 41 41 GLY H H 41 7.868 7.868 8.066 -0.198 17840 3757 1 12 . 1 1 42 42 VAL N N 42 120.789 120.789 120.254 0.535 17840 3758 1 12 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.506 -0.122 17840 3759 1 12 . 1 1 42 42 VAL C C 42 176.399 176.399 174.815 1.584 17840 3760 1 12 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.210 2.257 17840 3761 1 12 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.962 -1.569 17840 3762 1 12 . 1 1 42 42 VAL H H 42 8.087 8.087 7.811 0.276 17840 3763 1 12 . 1 1 43 43 TRP N N 43 130.892 130.892 127.711 3.181 17840 3764 1 12 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.119 0.129 17840 3765 1 12 . 1 1 43 43 TRP C C 43 176.821 176.821 176.343 0.478 17840 3766 1 12 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.546 1.480 17840 3767 1 12 . 1 1 43 43 TRP CB C 43 29.775 29.775 29.685 0.090 17840 3768 1 12 . 1 1 43 43 TRP H H 43 9.224 9.224 8.594 0.630 17840 3769 1 12 . 1 1 44 44 THR N N 44 114.739 114.739 120.066 -5.327 17840 3770 1 12 . 1 1 44 44 THR HA H 44 4.802 4.802 4.794 0.008 17840 3771 1 12 . 1 1 44 44 THR C C 44 171.963 171.963 172.712 -0.749 17840 3772 1 12 . 1 1 44 44 THR CA C 44 60.996 60.996 61.297 -0.301 17840 3773 1 12 . 1 1 44 44 THR CB C 44 72.649 72.649 70.835 1.815 17840 3774 1 12 . 1 1 44 44 THR H H 44 9.093 9.093 8.767 0.326 17840 3775 1 12 . 1 1 45 45 TYR N N 45 121.068 121.068 123.120 -2.052 17840 3776 1 12 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.133 -0.129 17840 3777 1 12 . 1 1 45 45 TYR C C 45 173.472 173.472 174.035 -0.563 17840 3778 1 12 . 1 1 45 45 TYR CA C 45 57.084 57.084 56.959 0.125 17840 3779 1 12 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.544 -1.310 17840 3780 1 12 . 1 1 45 45 TYR H H 45 8.474 8.474 8.601 -0.127 17840 3781 1 12 . 1 1 46 46 LYS N N 46 128.497 128.497 124.095 4.402 17840 3782 1 12 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.431 -0.098 17840 3783 1 12 . 1 1 46 46 LYS C C 46 174.847 174.847 174.960 -0.113 17840 3784 1 12 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.797 -0.825 17840 3785 1 12 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.278 -0.431 17840 3786 1 12 . 1 1 46 46 LYS H H 46 7.144 7.144 7.190 -0.046 17840 3787 1 12 . 1 1 47 47 ASP N N 47 126.400 126.400 126.575 -0.175 17840 3788 1 12 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.327 -0.323 17840 3789 1 12 . 1 1 47 47 ASP C C 47 179.191 179.191 176.730 2.461 17840 3790 1 12 . 1 1 47 47 ASP CA C 47 57.428 57.428 56.090 1.338 17840 3791 1 12 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.204 1.084 17840 3792 1 12 . 1 1 47 47 ASP H H 47 8.513 8.513 8.795 -0.282 17840 3793 1 12 . 1 1 48 48 GLU N N 48 118.126 118.126 119.191 -1.065 17840 3794 1 12 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.082 -0.009 17840 3795 1 12 . 1 1 48 48 GLU C C 48 176.976 176.976 175.995 0.981 17840 3796 1 12 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.601 1.439 17840 3797 1 12 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.396 -0.739 17840 3798 1 12 . 1 1 48 48 GLU H H 48 9.618 9.618 8.341 1.277 17840 3799 1 12 . 1 1 49 49 ILE N N 49 105.335 105.335 116.424 -11.089 17840 3800 1 12 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.081 0.538 17840 3801 1 12 . 1 1 49 49 ILE C C 49 175.290 175.290 174.810 0.480 17840 3802 1 12 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.526 -0.137 17840 3803 1 12 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.273 0.068 17840 3804 1 12 . 1 1 49 49 ILE H H 49 6.187 6.187 7.596 -1.409 17840 3805 1 12 . 1 1 50 50 LYS N N 50 124.144 124.144 118.900 5.244 17840 3806 1 12 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.667 0.506 17840 3807 1 12 . 1 1 50 50 LYS C C 50 174.159 174.159 173.781 0.378 17840 3808 1 12 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.651 -0.736 17840 3809 1 12 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.375 -0.026 17840 3810 1 12 . 1 1 50 50 LYS H H 50 7.659 7.659 7.719 -0.060 17840 3811 1 12 . 1 1 51 51 THR N N 51 109.166 109.166 114.130 -4.964 17840 3812 1 12 . 1 1 51 51 THR HA H 51 5.650 5.650 5.115 0.535 17840 3813 1 12 . 1 1 51 51 THR C C 51 173.405 173.405 172.634 0.771 17840 3814 1 12 . 1 1 51 51 THR CA C 51 62.262 62.262 60.703 1.559 17840 3815 1 12 . 1 1 51 51 THR CB C 51 73.271 73.271 70.659 2.612 17840 3816 1 12 . 1 1 51 51 THR H H 51 6.843 6.843 7.435 -0.592 17840 3817 1 12 . 1 1 52 52 PHE N N 52 130.917 130.917 127.503 3.414 17840 3818 1 12 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.107 0.452 17840 3819 1 12 . 1 1 52 52 PHE C C 52 173.627 173.627 174.915 -1.288 17840 3820 1 12 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.733 0.537 17840 3821 1 12 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.091 0.064 17840 3822 1 12 . 1 1 52 52 PHE H H 52 10.025 10.025 9.025 1.000 17840 3823 1 12 . 1 1 53 53 THR N N 53 117.627 117.627 114.949 2.678 17840 3824 1 12 . 1 1 53 53 THR HA H 53 5.217 5.217 4.783 0.434 17840 3825 1 12 . 1 1 53 53 THR C C 53 171.586 171.586 172.724 -1.138 17840 3826 1 12 . 1 1 53 53 THR CA C 53 61.724 61.724 60.740 0.984 17840 3827 1 12 . 1 1 53 53 THR CB C 53 70.567 70.567 71.729 -1.162 17840 3828 1 12 . 1 1 53 53 THR H H 53 8.927 8.927 9.335 -0.408 17840 3829 1 12 . 1 1 54 54 VAL N N 54 124.587 124.587 125.204 -0.617 17840 3830 1 12 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.984 0.443 17840 3831 1 12 . 1 1 54 54 VAL C C 54 172.873 172.873 175.560 -2.687 17840 3832 1 12 . 1 1 54 54 VAL CA C 54 59.619 59.619 61.065 -1.446 17840 3833 1 12 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.031 0.631 17840 3834 1 12 . 1 1 54 54 VAL H H 54 8.302 8.302 8.040 0.262 17840 3835 1 12 . 1 1 55 55 THR N N 55 124.116 124.116 124.028 0.088 17840 3836 1 12 . 1 1 55 55 THR HA H 55 4.769 4.769 4.957 -0.188 17840 3837 1 12 . 1 1 55 55 THR C C 55 173.294 173.294 173.981 -0.687 17840 3838 1 12 . 1 1 55 55 THR CA C 55 61.698 61.698 61.770 -0.072 17840 3839 1 12 . 1 1 55 55 THR CB C 55 71.382 71.382 70.360 1.022 17840 3840 1 12 . 1 1 55 55 THR H H 55 8.229 8.229 8.268 -0.039 17840 3841 1 13 . 1 1 2 2 THR N N 2 123.900 123.900 122.652 1.248 17840 3842 1 13 . 1 1 2 2 THR HA H 2 4.311 4.311 4.380 -0.069 17840 3843 1 13 . 1 1 2 2 THR C C 2 172.130 172.130 173.303 -1.173 17840 3844 1 13 . 1 1 2 2 THR CA C 2 63.855 63.855 62.962 0.893 17840 3845 1 13 . 1 1 2 2 THR CB C 2 68.688 68.688 69.130 -0.442 17840 3846 1 13 . 1 1 2 2 THR H H 2 8.670 8.670 8.386 0.284 17840 3847 1 13 . 1 1 3 3 TYR N N 3 127.206 127.206 128.816 -1.610 17840 3848 1 13 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.153 0.208 17840 3849 1 13 . 1 1 3 3 TYR C C 3 173.427 173.427 174.429 -1.002 17840 3850 1 13 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.625 0.328 17840 3851 1 13 . 1 1 3 3 TYR CB C 3 43.108 43.108 41.309 1.799 17840 3852 1 13 . 1 1 3 3 TYR H H 3 8.657 8.657 9.115 -0.458 17840 3853 1 13 . 1 1 4 4 LYS N N 4 120.377 120.377 125.500 -5.123 17840 3854 1 13 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.601 -0.200 17840 3855 1 13 . 1 1 4 4 LYS C C 4 172.296 172.296 174.582 -2.286 17840 3856 1 13 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.274 0.386 17840 3857 1 13 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.664 -0.714 17840 3858 1 13 . 1 1 4 4 LYS H H 4 8.599 8.599 8.407 0.192 17840 3859 1 13 . 1 1 5 5 LEU N N 5 126.484 126.484 122.117 4.367 17840 3860 1 13 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.477 -0.454 17840 3861 1 13 . 1 1 5 5 LEU C C 5 174.359 174.359 174.823 -0.464 17840 3862 1 13 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.272 -0.735 17840 3863 1 13 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.038 -1.876 17840 3864 1 13 . 1 1 5 5 LEU H H 5 8.781 8.781 8.257 0.524 17840 3865 1 13 . 1 1 6 6 ILE N N 6 126.235 126.235 122.928 3.307 17840 3866 1 13 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.982 -0.614 17840 3867 1 13 . 1 1 6 6 ILE C C 6 173.982 173.982 174.739 -0.757 17840 3868 1 13 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.699 0.763 17840 3869 1 13 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.775 -1.059 17840 3870 1 13 . 1 1 6 6 ILE H H 6 8.895 8.895 8.401 0.494 17840 3871 1 13 . 1 1 7 7 LEU N N 7 125.986 125.986 128.171 -2.185 17840 3872 1 13 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.734 -0.337 17840 3873 1 13 . 1 1 7 7 LEU C C 7 173.915 173.915 175.317 -1.402 17840 3874 1 13 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.854 -0.225 17840 3875 1 13 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.093 -1.781 17840 3876 1 13 . 1 1 7 7 LEU H H 7 8.627 8.627 7.848 0.779 17840 3877 1 13 . 1 1 8 8 ASN N N 8 125.244 125.244 121.242 4.002 17840 3878 1 13 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.970 0.100 17840 3879 1 13 . 1 1 8 8 ASN C C 8 173.960 173.960 174.627 -0.667 17840 3880 1 13 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.425 -0.612 17840 3881 1 13 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.605 -2.743 17840 3882 1 13 . 1 1 8 8 ASN H H 8 8.762 8.762 8.650 0.112 17840 3883 1 13 . 1 1 9 9 LEU N N 9 121.294 121.294 118.285 3.009 17840 3884 1 13 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.704 -0.071 17840 3885 1 13 . 1 1 9 9 LEU C C 9 176.821 176.821 176.958 -0.137 17840 3886 1 13 . 1 1 9 9 LEU CA C 9 53.418 53.418 55.558 -2.140 17840 3887 1 13 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.454 -2.032 17840 3888 1 13 . 1 1 9 9 LEU H H 9 7.409 7.409 8.291 -0.882 17840 3889 1 13 . 1 1 10 10 LYS N N 10 120.567 120.567 118.847 1.720 17840 3890 1 13 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.436 -0.500 17840 3891 1 13 . 1 1 10 10 LYS C C 10 179.217 179.217 176.157 3.060 17840 3892 1 13 . 1 1 10 10 LYS CA C 10 59.712 59.712 56.223 3.489 17840 3893 1 13 . 1 1 10 10 LYS CB C 10 31.806 31.806 33.412 -1.606 17840 3894 1 13 . 1 1 10 10 LYS H H 10 8.935 8.935 8.243 0.692 17840 3895 1 13 . 1 1 11 11 GLN N N 11 112.875 112.875 118.976 -6.101 17840 3896 1 13 . 1 1 11 11 GLN HA H 11 4.311 4.311 3.920 0.391 17840 3897 1 13 . 1 1 11 11 GLN C C 11 174.891 174.891 174.675 0.216 17840 3898 1 13 . 1 1 11 11 GLN CA C 11 55.966 55.966 58.013 -2.047 17840 3899 1 13 . 1 1 11 11 GLN CB C 11 29.158 29.158 28.098 1.060 17840 3900 1 13 . 1 1 11 11 GLN H H 11 8.296 8.296 8.602 -0.306 17840 3901 1 13 . 1 1 12 12 ALA N N 12 119.661 119.661 124.624 -4.963 17840 3902 1 13 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.267 0.058 17840 3903 1 13 . 1 1 12 12 ALA C C 12 173.760 173.760 176.874 -3.114 17840 3904 1 13 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.152 0.357 17840 3905 1 13 . 1 1 12 12 ALA CB C 12 21.412 21.412 18.478 2.934 17840 3906 1 13 . 1 1 12 12 ALA H H 12 6.849 6.849 8.023 -1.174 17840 3907 1 13 . 1 1 13 13 LYS N N 13 119.342 119.342 123.800 -4.458 17840 3908 1 13 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.885 0.386 17840 3909 1 13 . 1 1 13 13 LYS C C 13 175.801 175.801 176.037 -0.236 17840 3910 1 13 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.284 -0.149 17840 3911 1 13 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.641 0.051 17840 3912 1 13 . 1 1 13 13 LYS H H 13 8.050 8.050 7.812 0.238 17840 3913 1 13 . 1 1 14 14 GLU N N 14 123.266 123.266 120.232 3.034 17840 3914 1 13 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.516 0.223 17840 3915 1 13 . 1 1 14 14 GLU C C 14 173.316 173.316 175.318 -2.002 17840 3916 1 13 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.046 -0.204 17840 3917 1 13 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.721 1.639 17840 3918 1 13 . 1 1 14 14 GLU H H 14 8.327 8.327 8.924 -0.597 17840 3919 1 13 . 1 1 15 15 GLU N N 15 119.898 119.898 119.559 0.339 17840 3920 1 13 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.436 0.073 17840 3921 1 13 . 1 1 15 15 GLU C C 15 174.270 174.270 174.996 -0.726 17840 3922 1 13 . 1 1 15 15 GLU CA C 15 54.655 54.655 54.596 0.059 17840 3923 1 13 . 1 1 15 15 GLU CB C 15 34.031 34.031 34.178 -0.147 17840 3924 1 13 . 1 1 15 15 GLU H H 15 8.386 8.386 8.507 -0.121 17840 3925 1 13 . 1 1 16 16 ALA N N 16 125.415 125.415 125.504 -0.089 17840 3926 1 13 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.734 0.140 17840 3927 1 13 . 1 1 16 16 ALA C C 16 174.403 174.403 174.538 -0.135 17840 3928 1 13 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.244 -0.880 17840 3929 1 13 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.650 0.846 17840 3930 1 13 . 1 1 16 16 ALA H H 16 8.911 8.911 8.295 0.616 17840 3931 1 13 . 1 1 17 17 ILE N N 17 117.476 117.476 118.671 -1.195 17840 3932 1 13 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.161 0.307 17840 3933 1 13 . 1 1 17 17 ILE C C 17 175.712 175.712 174.885 0.827 17840 3934 1 13 . 1 1 17 17 ILE CA C 17 59.873 59.873 59.982 -0.109 17840 3935 1 13 . 1 1 17 17 ILE CB C 17 42.163 42.163 39.894 2.269 17840 3936 1 13 . 1 1 17 17 ILE H H 17 8.329 8.329 8.346 -0.017 17840 3937 1 13 . 1 1 18 18 LYS N N 18 125.884 125.884 127.747 -1.863 17840 3938 1 13 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.712 -0.291 17840 3939 1 13 . 1 1 18 18 LYS C C 18 172.873 172.873 174.861 -1.988 17840 3940 1 13 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.444 -0.325 17840 3941 1 13 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.878 1.352 17840 3942 1 13 . 1 1 18 18 LYS H H 18 9.050 9.050 9.308 -0.258 17840 3943 1 13 . 1 1 19 19 GLU N N 19 128.105 128.105 126.256 1.849 17840 3944 1 13 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.000 -0.027 17840 3945 1 13 . 1 1 19 19 GLU C C 19 175.135 175.135 175.807 -0.672 17840 3946 1 13 . 1 1 19 19 GLU CA C 19 55.400 55.400 56.089 -0.689 17840 3947 1 13 . 1 1 19 19 GLU CB C 19 29.316 29.316 30.107 -0.791 17840 3948 1 13 . 1 1 19 19 GLU H H 19 8.241 8.241 8.667 -0.426 17840 3949 1 13 . 1 1 20 20 LEU N N 20 127.206 127.206 125.877 1.329 17840 3950 1 13 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.624 -0.409 17840 3951 1 13 . 1 1 20 20 LEU C C 20 177.531 177.531 176.493 1.038 17840 3952 1 13 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.918 -0.712 17840 3953 1 13 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.467 1.217 17840 3954 1 13 . 1 1 20 20 LEU H H 20 8.563 8.563 8.254 0.309 17840 3955 1 13 . 1 1 21 21 VAL N N 21 116.204 116.204 115.436 0.768 17840 3956 1 13 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.186 -0.172 17840 3957 1 13 . 1 1 21 21 VAL C C 21 175.002 175.002 174.923 0.079 17840 3958 1 13 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.587 2.747 17840 3959 1 13 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.208 -0.281 17840 3960 1 13 . 1 1 21 21 VAL H H 21 8.094 8.094 8.446 -0.352 17840 3961 1 13 . 1 1 22 22 ASP N N 22 114.375 114.375 119.593 -5.218 17840 3962 1 13 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.635 0.203 17840 3963 1 13 . 1 1 22 22 ASP C C 22 174.536 174.536 175.473 -0.937 17840 3964 1 13 . 1 1 22 22 ASP CA C 22 53.147 53.147 53.959 -0.812 17840 3965 1 13 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.399 -0.707 17840 3966 1 13 . 1 1 22 22 ASP H H 22 6.862 6.862 7.549 -0.687 17840 3967 1 13 . 1 1 23 23 ALA N N 23 121.084 121.084 124.871 -3.787 17840 3968 1 13 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.473 -1.473 17840 3969 1 13 . 1 1 23 23 ALA C C 23 180.082 180.082 178.541 1.541 17840 3970 1 13 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.856 0.987 17840 3971 1 13 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.270 -1.650 17840 3972 1 13 . 1 1 23 23 ALA H H 23 8.389 8.389 8.568 -0.179 17840 3973 1 13 . 1 1 24 24 GLY N N 24 108.035 108.035 107.377 0.658 17840 3974 1 13 . 1 1 24 24 GLY C C 24 176.910 176.910 175.756 1.154 17840 3975 1 13 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.889 0.144 17840 3976 1 13 . 1 1 24 24 GLY H H 24 8.391 8.391 8.297 0.094 17840 3977 1 13 . 1 1 25 25 THR N N 25 120.237 120.237 116.683 3.554 17840 3978 1 13 . 1 1 25 25 THR HA H 25 4.000 4.000 3.944 0.056 17840 3979 1 13 . 1 1 25 25 THR C C 25 176.555 176.555 176.423 0.132 17840 3980 1 13 . 1 1 25 25 THR CA C 25 66.900 66.900 65.830 1.070 17840 3981 1 13 . 1 1 25 25 THR CB C 25 68.095 68.095 68.178 -0.083 17840 3982 1 13 . 1 1 25 25 THR H H 25 8.071 8.071 7.864 0.207 17840 3983 1 13 . 1 1 26 26 ALA N N 26 124.685 124.685 122.937 1.748 17840 3984 1 13 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.941 -0.480 17840 3985 1 13 . 1 1 26 26 ALA C C 26 175.734 175.734 178.785 -3.051 17840 3986 1 13 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.517 -1.674 17840 3987 1 13 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.091 -0.689 17840 3988 1 13 . 1 1 26 26 ALA H H 26 7.444 7.444 7.572 -0.128 17840 3989 1 13 . 1 1 27 27 GLU N N 27 119.278 119.278 117.457 1.821 17840 3990 1 13 . 1 1 27 27 GLU HA H 27 2.797 2.797 3.975 -1.178 17840 3991 1 13 . 1 1 27 27 GLU C C 27 177.131 177.131 178.625 -1.494 17840 3992 1 13 . 1 1 27 27 GLU CA C 27 60.137 60.137 58.425 1.712 17840 3993 1 13 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.142 0.085 17840 3994 1 13 . 1 1 27 27 GLU H H 27 8.121 8.121 7.361 0.760 17840 3995 1 13 . 1 1 28 28 LYS N N 28 115.377 115.377 120.766 -5.389 17840 3996 1 13 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.047 -0.407 17840 3997 1 13 . 1 1 28 28 LYS C C 28 178.640 178.640 178.715 -0.075 17840 3998 1 13 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.273 0.578 17840 3999 1 13 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.433 -0.027 17840 4000 1 13 . 1 1 28 28 LYS H H 28 6.847 6.847 8.373 -1.526 17840 4001 1 13 . 1 1 29 29 TYR N N 29 119.713 119.713 120.639 -0.926 17840 4002 1 13 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.168 -0.059 17840 4003 1 13 . 1 1 29 29 TYR C C 29 177.619 177.619 178.171 -0.552 17840 4004 1 13 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.975 -0.702 17840 4005 1 13 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.439 -0.465 17840 4006 1 13 . 1 1 29 29 TYR H H 29 7.358 7.358 7.802 -0.444 17840 4007 1 13 . 1 1 30 30 PHE N N 30 117.565 117.565 117.550 0.015 17840 4008 1 13 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.342 0.165 17840 4009 1 13 . 1 1 30 30 PHE C C 30 178.507 178.507 178.139 0.368 17840 4010 1 13 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.590 -2.028 17840 4011 1 13 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.545 -0.922 17840 4012 1 13 . 1 1 30 30 PHE H H 30 8.601 8.601 8.044 0.557 17840 4013 1 13 . 1 1 31 31 LYS N N 31 121.534 121.534 120.597 0.937 17840 4014 1 13 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.168 -0.150 17840 4015 1 13 . 1 1 31 31 LYS C C 31 178.751 178.751 179.131 -0.380 17840 4016 1 13 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.332 0.627 17840 4017 1 13 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.399 -0.695 17840 4018 1 13 . 1 1 31 31 LYS H H 31 8.310 8.310 7.862 0.448 17840 4019 1 13 . 1 1 32 32 LEU N N 32 118.368 118.368 121.445 -3.077 17840 4020 1 13 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.950 0.176 17840 4021 1 13 . 1 1 32 32 LEU C C 32 180.636 180.636 178.714 1.922 17840 4022 1 13 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.232 -0.142 17840 4023 1 13 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.920 -0.623 17840 4024 1 13 . 1 1 32 32 LEU H H 32 6.890 6.890 8.065 -1.175 17840 4025 1 13 . 1 1 33 33 ILE N N 33 118.866 118.866 119.089 -0.223 17840 4026 1 13 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.596 0.101 17840 4027 1 13 . 1 1 33 33 ILE C C 33 178.485 178.485 177.329 1.156 17840 4028 1 13 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.492 0.392 17840 4029 1 13 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.644 -0.130 17840 4030 1 13 . 1 1 33 33 ILE H H 33 6.985 6.985 7.658 -0.673 17840 4031 1 13 . 1 1 34 34 ALA N N 34 121.160 121.160 121.427 -0.267 17840 4032 1 13 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.919 0.020 17840 4033 1 13 . 1 1 34 34 ALA C C 34 179.372 179.372 179.570 -0.198 17840 4034 1 13 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.149 0.084 17840 4035 1 13 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.141 0.533 17840 4036 1 13 . 1 1 34 34 ALA H H 34 8.312 8.312 7.862 0.450 17840 4037 1 13 . 1 1 35 35 ASN N N 35 116.166 116.166 116.066 0.100 17840 4038 1 13 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.590 -0.004 17840 4039 1 13 . 1 1 35 35 ASN C C 35 173.871 173.871 176.463 -2.592 17840 4040 1 13 . 1 1 35 35 ASN CA C 35 55.695 55.695 56.228 -0.533 17840 4041 1 13 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.741 -0.610 17840 4042 1 13 . 1 1 35 35 ASN H H 35 8.222 8.222 8.098 0.124 17840 4043 1 13 . 1 1 36 36 ALA N N 36 121.269 121.269 120.649 0.620 17840 4044 1 13 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.370 -0.090 17840 4045 1 13 . 1 1 36 36 ALA C C 36 178.507 178.507 178.455 0.052 17840 4046 1 13 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.455 0.628 17840 4047 1 13 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.086 -0.175 17840 4048 1 13 . 1 1 36 36 ALA H H 36 7.397 7.397 7.451 -0.054 17840 4049 1 13 . 1 1 37 37 LYS N N 37 116.114 116.114 119.056 -2.942 17840 4050 1 13 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.202 0.104 17840 4051 1 13 . 1 1 37 37 LYS C C 37 175.401 175.401 177.426 -2.025 17840 4052 1 13 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.722 -1.459 17840 4053 1 13 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.313 0.618 17840 4054 1 13 . 1 1 37 37 LYS H H 37 7.371 7.371 8.169 -0.798 17840 4055 1 13 . 1 1 38 38 THR N N 38 113.187 113.187 111.209 1.978 17840 4056 1 13 . 1 1 38 38 THR HA H 38 4.300 4.300 4.551 -0.251 17840 4057 1 13 . 1 1 38 38 THR C C 38 173.139 173.139 172.928 0.211 17840 4058 1 13 . 1 1 38 38 THR CA C 38 61.530 61.530 61.314 0.216 17840 4059 1 13 . 1 1 38 38 THR CB C 38 69.468 69.468 70.799 -1.331 17840 4060 1 13 . 1 1 38 38 THR H H 38 7.812 7.812 7.890 -0.078 17840 4061 1 13 . 1 1 39 39 VAL N N 39 122.490 122.490 118.505 3.985 17840 4062 1 13 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.704 -0.452 17840 4063 1 13 . 1 1 39 39 VAL C C 39 174.869 174.869 174.534 0.335 17840 4064 1 13 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.576 -0.066 17840 4065 1 13 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.970 -0.309 17840 4066 1 13 . 1 1 39 39 VAL H H 39 8.091 8.091 8.239 -0.148 17840 4067 1 13 . 1 1 40 40 GLU N N 40 124.998 124.998 124.429 0.569 17840 4068 1 13 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.431 0.113 17840 4069 1 13 . 1 1 40 40 GLU C C 40 174.913 174.913 176.640 -1.727 17840 4070 1 13 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.929 -1.532 17840 4071 1 13 . 1 1 40 40 GLU CB C 40 30.497 30.497 31.274 -0.777 17840 4072 1 13 . 1 1 40 40 GLU H H 40 8.479 8.479 9.084 -0.605 17840 4073 1 13 . 1 1 41 41 GLY N N 41 107.295 107.295 109.222 -1.927 17840 4074 1 13 . 1 1 41 41 GLY C C 41 174.558 174.558 174.105 0.453 17840 4075 1 13 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.853 0.448 17840 4076 1 13 . 1 1 41 41 GLY H H 41 7.868 7.868 7.973 -0.105 17840 4077 1 13 . 1 1 42 42 VAL N N 42 120.789 120.789 120.839 -0.050 17840 4078 1 13 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.534 -0.150 17840 4079 1 13 . 1 1 42 42 VAL C C 42 176.399 176.399 174.367 2.032 17840 4080 1 13 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.649 1.818 17840 4081 1 13 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.653 -1.260 17840 4082 1 13 . 1 1 42 42 VAL H H 42 8.087 8.087 7.943 0.144 17840 4083 1 13 . 1 1 43 43 TRP N N 43 130.892 130.892 127.761 3.131 17840 4084 1 13 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.062 0.186 17840 4085 1 13 . 1 1 43 43 TRP C C 43 176.821 176.821 175.840 0.981 17840 4086 1 13 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.125 1.901 17840 4087 1 13 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.385 -0.610 17840 4088 1 13 . 1 1 43 43 TRP H H 43 9.224 9.224 8.544 0.680 17840 4089 1 13 . 1 1 44 44 THR N N 44 114.739 114.739 120.672 -5.933 17840 4090 1 13 . 1 1 44 44 THR HA H 44 4.802 4.802 4.708 0.094 17840 4091 1 13 . 1 1 44 44 THR C C 44 171.963 171.963 172.614 -0.651 17840 4092 1 13 . 1 1 44 44 THR CA C 44 60.996 60.996 61.583 -0.587 17840 4093 1 13 . 1 1 44 44 THR CB C 44 72.649 72.649 70.852 1.797 17840 4094 1 13 . 1 1 44 44 THR H H 44 9.093 9.093 8.831 0.262 17840 4095 1 13 . 1 1 45 45 TYR N N 45 121.068 121.068 121.980 -0.912 17840 4096 1 13 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.970 0.034 17840 4097 1 13 . 1 1 45 45 TYR C C 45 173.472 173.472 173.922 -0.450 17840 4098 1 13 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.341 -0.257 17840 4099 1 13 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.347 -1.113 17840 4100 1 13 . 1 1 45 45 TYR H H 45 8.474 8.474 8.510 -0.036 17840 4101 1 13 . 1 1 46 46 LYS N N 46 128.497 128.497 126.503 1.994 17840 4102 1 13 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.357 -0.024 17840 4103 1 13 . 1 1 46 46 LYS C C 46 174.847 174.847 174.729 0.118 17840 4104 1 13 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.533 -0.561 17840 4105 1 13 . 1 1 46 46 LYS CB C 46 33.847 33.847 32.631 1.216 17840 4106 1 13 . 1 1 46 46 LYS H H 46 7.144 7.144 8.298 -1.154 17840 4107 1 13 . 1 1 47 47 ASP N N 47 126.400 126.400 126.416 -0.016 17840 4108 1 13 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.617 -0.613 17840 4109 1 13 . 1 1 47 47 ASP C C 47 179.191 179.191 175.774 3.417 17840 4110 1 13 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.336 3.092 17840 4111 1 13 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.146 2.142 17840 4112 1 13 . 1 1 47 47 ASP H H 47 8.513 8.513 8.720 -0.207 17840 4113 1 13 . 1 1 48 48 GLU N N 48 118.126 118.126 122.208 -4.082 17840 4114 1 13 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.214 -0.141 17840 4115 1 13 . 1 1 48 48 GLU C C 48 176.976 176.976 175.996 0.980 17840 4116 1 13 . 1 1 48 48 GLU CA C 48 60.040 60.040 56.756 3.284 17840 4117 1 13 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.044 -1.387 17840 4118 1 13 . 1 1 48 48 GLU H H 48 9.618 9.618 8.225 1.393 17840 4119 1 13 . 1 1 49 49 ILE N N 49 105.335 105.335 121.745 -16.410 17840 4120 1 13 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.270 0.349 17840 4121 1 13 . 1 1 49 49 ILE C C 49 175.290 175.290 174.053 1.237 17840 4122 1 13 . 1 1 49 49 ILE CA C 49 60.389 60.389 61.144 -0.755 17840 4123 1 13 . 1 1 49 49 ILE CB C 49 38.341 38.341 39.120 -0.779 17840 4124 1 13 . 1 1 49 49 ILE H H 49 6.187 6.187 7.560 -1.373 17840 4125 1 13 . 1 1 50 50 LYS N N 50 124.144 124.144 119.044 5.100 17840 4126 1 13 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.625 0.548 17840 4127 1 13 . 1 1 50 50 LYS C C 50 174.159 174.159 173.889 0.270 17840 4128 1 13 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.841 -0.925 17840 4129 1 13 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.192 0.157 17840 4130 1 13 . 1 1 50 50 LYS H H 50 7.659 7.659 7.563 0.096 17840 4131 1 13 . 1 1 51 51 THR N N 51 109.166 109.166 116.954 -7.788 17840 4132 1 13 . 1 1 51 51 THR HA H 51 5.650 5.650 5.117 0.533 17840 4133 1 13 . 1 1 51 51 THR C C 51 173.405 173.405 173.065 0.340 17840 4134 1 13 . 1 1 51 51 THR CA C 51 62.262 62.262 61.802 0.460 17840 4135 1 13 . 1 1 51 51 THR CB C 51 73.271 73.271 70.787 2.484 17840 4136 1 13 . 1 1 51 51 THR H H 51 6.843 6.843 7.135 -0.292 17840 4137 1 13 . 1 1 52 52 PHE N N 52 130.917 130.917 128.475 2.442 17840 4138 1 13 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.094 0.465 17840 4139 1 13 . 1 1 52 52 PHE C C 52 173.627 173.627 175.030 -1.403 17840 4140 1 13 . 1 1 52 52 PHE CA C 52 57.270 57.270 57.168 0.102 17840 4141 1 13 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.473 0.682 17840 4142 1 13 . 1 1 52 52 PHE H H 52 10.025 10.025 8.910 1.115 17840 4143 1 13 . 1 1 53 53 THR N N 53 117.627 117.627 116.649 0.978 17840 4144 1 13 . 1 1 53 53 THR HA H 53 5.217 5.217 4.803 0.414 17840 4145 1 13 . 1 1 53 53 THR C C 53 171.586 171.586 173.007 -1.421 17840 4146 1 13 . 1 1 53 53 THR CA C 53 61.724 61.724 60.887 0.837 17840 4147 1 13 . 1 1 53 53 THR CB C 53 70.567 70.567 71.961 -1.394 17840 4148 1 13 . 1 1 53 53 THR H H 53 8.927 8.927 9.367 -0.440 17840 4149 1 13 . 1 1 54 54 VAL N N 54 124.587 124.587 124.389 0.198 17840 4150 1 13 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.953 0.474 17840 4151 1 13 . 1 1 54 54 VAL C C 54 172.873 172.873 175.446 -2.573 17840 4152 1 13 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.474 -0.855 17840 4153 1 13 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.269 1.393 17840 4154 1 13 . 1 1 54 54 VAL H H 54 8.302 8.302 8.087 0.215 17840 4155 1 13 . 1 1 55 55 THR N N 55 124.116 124.116 123.834 0.282 17840 4156 1 13 . 1 1 55 55 THR HA H 55 4.769 4.769 4.804 -0.035 17840 4157 1 13 . 1 1 55 55 THR C C 55 173.294 173.294 174.200 -0.906 17840 4158 1 13 . 1 1 55 55 THR CA C 55 61.698 61.698 61.965 -0.267 17840 4159 1 13 . 1 1 55 55 THR CB C 55 71.382 71.382 70.100 1.282 17840 4160 1 13 . 1 1 55 55 THR H H 55 8.229 8.229 8.123 0.106 17840 4161 1 14 . 1 1 2 2 THR N N 2 123.900 123.900 117.878 6.022 17840 4162 1 14 . 1 1 2 2 THR HA H 2 4.311 4.311 4.551 -0.240 17840 4163 1 14 . 1 1 2 2 THR C C 2 172.130 172.130 173.484 -1.354 17840 4164 1 14 . 1 1 2 2 THR CA C 2 63.855 63.855 61.230 2.625 17840 4165 1 14 . 1 1 2 2 THR CB C 2 68.688 68.688 69.452 -0.764 17840 4166 1 14 . 1 1 2 2 THR H H 2 8.670 8.670 8.382 0.288 17840 4167 1 14 . 1 1 3 3 TYR N N 3 127.206 127.206 128.390 -1.184 17840 4168 1 14 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.058 0.303 17840 4169 1 14 . 1 1 3 3 TYR C C 3 173.427 173.427 175.334 -1.907 17840 4170 1 14 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.795 0.158 17840 4171 1 14 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.490 0.618 17840 4172 1 14 . 1 1 3 3 TYR H H 3 8.657 8.657 9.158 -0.501 17840 4173 1 14 . 1 1 4 4 LYS N N 4 120.377 120.377 120.098 0.279 17840 4174 1 14 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.341 0.060 17840 4175 1 14 . 1 1 4 4 LYS C C 4 172.296 172.296 174.214 -1.918 17840 4176 1 14 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.769 -0.109 17840 4177 1 14 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.290 -1.340 17840 4178 1 14 . 1 1 4 4 LYS H H 4 8.599 8.599 8.246 0.353 17840 4179 1 14 . 1 1 5 5 LEU N N 5 126.484 126.484 121.225 5.259 17840 4180 1 14 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.433 -0.410 17840 4181 1 14 . 1 1 5 5 LEU C C 5 174.359 174.359 175.005 -0.646 17840 4182 1 14 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.684 -1.147 17840 4183 1 14 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.835 -2.673 17840 4184 1 14 . 1 1 5 5 LEU H H 5 8.781 8.781 8.587 0.194 17840 4185 1 14 . 1 1 6 6 ILE N N 6 126.235 126.235 122.202 4.033 17840 4186 1 14 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.054 -0.686 17840 4187 1 14 . 1 1 6 6 ILE C C 6 173.982 173.982 174.828 -0.846 17840 4188 1 14 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.960 0.502 17840 4189 1 14 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.054 -0.338 17840 4190 1 14 . 1 1 6 6 ILE H H 6 8.895 8.895 8.457 0.438 17840 4191 1 14 . 1 1 7 7 LEU N N 7 125.986 125.986 128.077 -2.091 17840 4192 1 14 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.727 -0.330 17840 4193 1 14 . 1 1 7 7 LEU C C 7 173.915 173.915 175.405 -1.490 17840 4194 1 14 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.950 -0.321 17840 4195 1 14 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.188 -1.876 17840 4196 1 14 . 1 1 7 7 LEU H H 7 8.627 8.627 8.743 -0.116 17840 4197 1 14 . 1 1 8 8 ASN N N 8 125.244 125.244 120.993 4.251 17840 4198 1 14 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.958 0.112 17840 4199 1 14 . 1 1 8 8 ASN C C 8 173.960 173.960 173.444 0.516 17840 4200 1 14 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.792 -0.979 17840 4201 1 14 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.287 -2.425 17840 4202 1 14 . 1 1 8 8 ASN H H 8 8.762 8.762 8.918 -0.156 17840 4203 1 14 . 1 1 9 9 LEU N N 9 121.294 121.294 125.503 -4.209 17840 4204 1 14 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.451 0.182 17840 4205 1 14 . 1 1 9 9 LEU C C 9 176.821 176.821 176.804 0.017 17840 4206 1 14 . 1 1 9 9 LEU CA C 9 53.418 53.418 55.819 -2.401 17840 4207 1 14 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.667 -2.245 17840 4208 1 14 . 1 1 9 9 LEU H H 9 7.409 7.409 8.732 -1.323 17840 4209 1 14 . 1 1 10 10 LYS N N 10 120.567 120.567 119.672 0.895 17840 4210 1 14 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.273 -0.337 17840 4211 1 14 . 1 1 10 10 LYS C C 10 179.217 179.217 176.958 2.259 17840 4212 1 14 . 1 1 10 10 LYS CA C 10 59.712 59.712 55.886 3.826 17840 4213 1 14 . 1 1 10 10 LYS CB C 10 31.806 31.806 33.383 -1.577 17840 4214 1 14 . 1 1 10 10 LYS H H 10 8.935 8.935 7.919 1.016 17840 4215 1 14 . 1 1 11 11 GLN N N 11 112.875 112.875 117.765 -4.890 17840 4216 1 14 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.031 0.280 17840 4217 1 14 . 1 1 11 11 GLN C C 11 174.891 174.891 176.105 -1.214 17840 4218 1 14 . 1 1 11 11 GLN CA C 11 55.966 55.966 57.669 -1.704 17840 4219 1 14 . 1 1 11 11 GLN CB C 11 29.158 29.158 28.570 0.588 17840 4220 1 14 . 1 1 11 11 GLN H H 11 8.296 8.296 8.489 -0.193 17840 4221 1 14 . 1 1 12 12 ALA N N 12 119.661 119.661 118.287 1.374 17840 4222 1 14 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.492 -0.167 17840 4223 1 14 . 1 1 12 12 ALA C C 12 173.760 173.760 175.224 -1.464 17840 4224 1 14 . 1 1 12 12 ALA CA C 12 52.509 52.509 50.986 1.523 17840 4225 1 14 . 1 1 12 12 ALA CB C 12 21.412 21.412 21.688 -0.276 17840 4226 1 14 . 1 1 12 12 ALA H H 12 6.849 6.849 7.521 -0.672 17840 4227 1 14 . 1 1 13 13 LYS N N 13 119.342 119.342 118.962 0.380 17840 4228 1 14 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.779 0.492 17840 4229 1 14 . 1 1 13 13 LYS C C 13 175.801 175.801 175.991 -0.190 17840 4230 1 14 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.537 -0.402 17840 4231 1 14 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.334 0.358 17840 4232 1 14 . 1 1 13 13 LYS H H 13 8.050 8.050 8.191 -0.141 17840 4233 1 14 . 1 1 14 14 GLU N N 14 123.266 123.266 120.613 2.653 17840 4234 1 14 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.556 0.183 17840 4235 1 14 . 1 1 14 14 GLU C C 14 173.316 173.316 175.144 -1.828 17840 4236 1 14 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.707 -0.865 17840 4237 1 14 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.569 1.791 17840 4238 1 14 . 1 1 14 14 GLU H H 14 8.327 8.327 8.959 -0.632 17840 4239 1 14 . 1 1 15 15 GLU N N 15 119.898 119.898 123.506 -3.608 17840 4240 1 14 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.538 -0.029 17840 4241 1 14 . 1 1 15 15 GLU C C 15 174.270 174.270 175.439 -1.169 17840 4242 1 14 . 1 1 15 15 GLU CA C 15 54.655 54.655 54.938 -0.283 17840 4243 1 14 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.377 1.654 17840 4244 1 14 . 1 1 15 15 GLU H H 15 8.386 8.386 8.715 -0.329 17840 4245 1 14 . 1 1 16 16 ALA N N 16 125.415 125.415 126.620 -1.205 17840 4246 1 14 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.729 0.145 17840 4247 1 14 . 1 1 16 16 ALA C C 16 174.403 174.403 175.070 -0.667 17840 4248 1 14 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.986 -0.622 17840 4249 1 14 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.904 0.592 17840 4250 1 14 . 1 1 16 16 ALA H H 16 8.911 8.911 8.219 0.692 17840 4251 1 14 . 1 1 17 17 ILE N N 17 117.476 117.476 119.670 -2.194 17840 4252 1 14 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.153 0.315 17840 4253 1 14 . 1 1 17 17 ILE C C 17 175.712 175.712 175.343 0.369 17840 4254 1 14 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.413 -0.540 17840 4255 1 14 . 1 1 17 17 ILE CB C 17 42.163 42.163 41.284 0.879 17840 4256 1 14 . 1 1 17 17 ILE H H 17 8.329 8.329 8.458 -0.129 17840 4257 1 14 . 1 1 18 18 LYS N N 18 125.884 125.884 127.487 -1.603 17840 4258 1 14 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.699 -0.279 17840 4259 1 14 . 1 1 18 18 LYS C C 18 172.873 172.873 174.967 -2.094 17840 4260 1 14 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.180 -0.061 17840 4261 1 14 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.578 1.652 17840 4262 1 14 . 1 1 18 18 LYS H H 18 9.050 9.050 8.926 0.124 17840 4263 1 14 . 1 1 19 19 GLU N N 19 128.105 128.105 126.636 1.469 17840 4264 1 14 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.154 -0.181 17840 4265 1 14 . 1 1 19 19 GLU C C 19 175.135 175.135 175.956 -0.821 17840 4266 1 14 . 1 1 19 19 GLU CA C 19 55.400 55.400 56.321 -0.921 17840 4267 1 14 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.859 -0.543 17840 4268 1 14 . 1 1 19 19 GLU H H 19 8.241 8.241 8.754 -0.513 17840 4269 1 14 . 1 1 20 20 LEU N N 20 127.206 127.206 125.846 1.360 17840 4270 1 14 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.567 -0.352 17840 4271 1 14 . 1 1 20 20 LEU C C 20 177.531 177.531 177.622 -0.091 17840 4272 1 14 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.348 -1.142 17840 4273 1 14 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.462 2.222 17840 4274 1 14 . 1 1 20 20 LEU H H 20 8.563 8.563 8.043 0.520 17840 4275 1 14 . 1 1 21 21 VAL N N 21 116.204 116.204 118.986 -2.782 17840 4276 1 14 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.798 0.216 17840 4277 1 14 . 1 1 21 21 VAL C C 21 175.002 175.002 176.083 -1.081 17840 4278 1 14 . 1 1 21 21 VAL CA C 21 65.334 65.334 65.164 0.170 17840 4279 1 14 . 1 1 21 21 VAL CB C 21 31.927 31.927 31.968 -0.041 17840 4280 1 14 . 1 1 21 21 VAL H H 21 8.094 8.094 8.369 -0.275 17840 4281 1 14 . 1 1 22 22 ASP N N 22 114.375 114.375 115.026 -0.651 17840 4282 1 14 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.908 -0.070 17840 4283 1 14 . 1 1 22 22 ASP C C 22 174.536 174.536 175.215 -0.679 17840 4284 1 14 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.903 -1.756 17840 4285 1 14 . 1 1 22 22 ASP CB C 22 42.692 42.692 41.472 1.220 17840 4286 1 14 . 1 1 22 22 ASP H H 22 6.862 6.862 8.207 -1.345 17840 4287 1 14 . 1 1 23 23 ALA N N 23 121.084 121.084 119.887 1.197 17840 4288 1 14 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.644 -1.644 17840 4289 1 14 . 1 1 23 23 ALA C C 23 180.082 180.082 177.574 2.508 17840 4290 1 14 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.758 2.085 17840 4291 1 14 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.920 -2.300 17840 4292 1 14 . 1 1 23 23 ALA H H 23 8.389 8.389 8.191 0.198 17840 4293 1 14 . 1 1 24 24 GLY N N 24 108.035 108.035 108.979 -0.944 17840 4294 1 14 . 1 1 24 24 GLY C C 24 176.910 176.910 175.258 1.652 17840 4295 1 14 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.836 0.197 17840 4296 1 14 . 1 1 24 24 GLY H H 24 8.391 8.391 8.257 0.134 17840 4297 1 14 . 1 1 25 25 THR N N 25 120.237 120.237 117.425 2.812 17840 4298 1 14 . 1 1 25 25 THR HA H 25 4.000 4.000 4.001 -0.001 17840 4299 1 14 . 1 1 25 25 THR C C 25 176.555 176.555 176.748 -0.193 17840 4300 1 14 . 1 1 25 25 THR CA C 25 66.900 66.900 66.388 0.512 17840 4301 1 14 . 1 1 25 25 THR CB C 25 68.095 68.095 68.334 -0.239 17840 4302 1 14 . 1 1 25 25 THR H H 25 8.071 8.071 8.176 -0.105 17840 4303 1 14 . 1 1 26 26 ALA N N 26 124.685 124.685 122.848 1.837 17840 4304 1 14 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.245 -0.784 17840 4305 1 14 . 1 1 26 26 ALA C C 26 175.734 175.734 179.451 -3.717 17840 4306 1 14 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.595 -1.752 17840 4307 1 14 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.856 -0.454 17840 4308 1 14 . 1 1 26 26 ALA H H 26 7.444 7.444 8.192 -0.748 17840 4309 1 14 . 1 1 27 27 GLU N N 27 119.278 119.278 119.160 0.118 17840 4310 1 14 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.262 -1.465 17840 4311 1 14 . 1 1 27 27 GLU C C 27 177.131 177.131 179.039 -1.908 17840 4312 1 14 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.771 0.366 17840 4313 1 14 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.489 -0.262 17840 4314 1 14 . 1 1 27 27 GLU H H 27 8.121 8.121 7.671 0.450 17840 4315 1 14 . 1 1 28 28 LYS N N 28 115.377 115.377 119.009 -3.632 17840 4316 1 14 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.153 -0.513 17840 4317 1 14 . 1 1 28 28 LYS C C 28 178.640 178.640 178.788 -0.148 17840 4318 1 14 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.103 0.748 17840 4319 1 14 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.528 -0.122 17840 4320 1 14 . 1 1 28 28 LYS H H 28 6.847 6.847 8.010 -1.163 17840 4321 1 14 . 1 1 29 29 TYR N N 29 119.713 119.713 121.635 -1.922 17840 4322 1 14 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.080 0.029 17840 4323 1 14 . 1 1 29 29 TYR C C 29 177.619 177.619 178.077 -0.458 17840 4324 1 14 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.272 -0.999 17840 4325 1 14 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.385 -0.411 17840 4326 1 14 . 1 1 29 29 TYR H H 29 7.358 7.358 8.070 -0.712 17840 4327 1 14 . 1 1 30 30 PHE N N 30 117.565 117.565 117.427 0.138 17840 4328 1 14 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.274 0.233 17840 4329 1 14 . 1 1 30 30 PHE C C 30 178.507 178.507 177.915 0.592 17840 4330 1 14 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.810 -3.248 17840 4331 1 14 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.951 -1.328 17840 4332 1 14 . 1 1 30 30 PHE H H 30 8.601 8.601 8.507 0.094 17840 4333 1 14 . 1 1 31 31 LYS N N 31 121.534 121.534 120.750 0.784 17840 4334 1 14 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.141 -0.123 17840 4335 1 14 . 1 1 31 31 LYS C C 31 178.751 178.751 178.925 -0.174 17840 4336 1 14 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.416 0.543 17840 4337 1 14 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.334 -0.630 17840 4338 1 14 . 1 1 31 31 LYS H H 31 8.310 8.310 7.486 0.824 17840 4339 1 14 . 1 1 32 32 LEU N N 32 118.368 118.368 121.392 -3.024 17840 4340 1 14 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.232 -0.106 17840 4341 1 14 . 1 1 32 32 LEU C C 32 180.636 180.636 179.454 1.182 17840 4342 1 14 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.396 -0.306 17840 4343 1 14 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.844 -0.547 17840 4344 1 14 . 1 1 32 32 LEU H H 32 6.890 6.890 8.428 -1.538 17840 4345 1 14 . 1 1 33 33 ILE N N 33 118.866 118.866 119.056 -0.190 17840 4346 1 14 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.532 0.165 17840 4347 1 14 . 1 1 33 33 ILE C C 33 178.485 178.485 177.201 1.284 17840 4348 1 14 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.690 0.194 17840 4349 1 14 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.671 -0.157 17840 4350 1 14 . 1 1 33 33 ILE H H 33 6.985 6.985 7.565 -0.580 17840 4351 1 14 . 1 1 34 34 ALA N N 34 121.160 121.160 121.239 -0.079 17840 4352 1 14 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.937 0.002 17840 4353 1 14 . 1 1 34 34 ALA C C 34 179.372 179.372 180.075 -0.703 17840 4354 1 14 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.188 0.045 17840 4355 1 14 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.444 0.230 17840 4356 1 14 . 1 1 34 34 ALA H H 34 8.312 8.312 7.626 0.686 17840 4357 1 14 . 1 1 35 35 ASN N N 35 116.166 116.166 114.941 1.225 17840 4358 1 14 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.544 0.042 17840 4359 1 14 . 1 1 35 35 ASN C C 35 173.871 173.871 176.387 -2.516 17840 4360 1 14 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.310 0.384 17840 4361 1 14 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.518 -0.387 17840 4362 1 14 . 1 1 35 35 ASN H H 35 8.222 8.222 8.117 0.105 17840 4363 1 14 . 1 1 36 36 ALA N N 36 121.269 121.269 120.807 0.462 17840 4364 1 14 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.407 -0.127 17840 4365 1 14 . 1 1 36 36 ALA C C 36 178.507 178.507 177.636 0.871 17840 4366 1 14 . 1 1 36 36 ALA CA C 36 54.083 54.083 52.900 1.183 17840 4367 1 14 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.301 -0.390 17840 4368 1 14 . 1 1 36 36 ALA H H 36 7.397 7.397 7.804 -0.407 17840 4369 1 14 . 1 1 37 37 LYS N N 37 116.114 116.114 117.510 -1.396 17840 4370 1 14 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.636 -0.330 17840 4371 1 14 . 1 1 37 37 LYS C C 37 175.401 175.401 176.382 -0.981 17840 4372 1 14 . 1 1 37 37 LYS CA C 37 56.263 56.263 56.413 -0.151 17840 4373 1 14 . 1 1 37 37 LYS CB C 37 33.931 33.931 35.091 -1.160 17840 4374 1 14 . 1 1 37 37 LYS H H 37 7.371 7.371 7.832 -0.461 17840 4375 1 14 . 1 1 38 38 THR N N 38 113.187 113.187 113.383 -0.196 17840 4376 1 14 . 1 1 38 38 THR HA H 38 4.300 4.300 4.568 -0.268 17840 4377 1 14 . 1 1 38 38 THR C C 38 173.139 173.139 172.453 0.686 17840 4378 1 14 . 1 1 38 38 THR CA C 38 61.530 61.530 61.319 0.211 17840 4379 1 14 . 1 1 38 38 THR CB C 38 69.468 69.468 71.061 -1.593 17840 4380 1 14 . 1 1 38 38 THR H H 38 7.812 7.812 8.004 -0.192 17840 4381 1 14 . 1 1 39 39 VAL N N 39 122.490 122.490 123.476 -0.986 17840 4382 1 14 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.216 0.036 17840 4383 1 14 . 1 1 39 39 VAL C C 39 174.869 174.869 173.831 1.038 17840 4384 1 14 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.726 -0.216 17840 4385 1 14 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.835 -0.174 17840 4386 1 14 . 1 1 39 39 VAL H H 39 8.091 8.091 8.403 -0.312 17840 4387 1 14 . 1 1 40 40 GLU N N 40 124.998 124.998 127.692 -2.694 17840 4388 1 14 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.534 0.010 17840 4389 1 14 . 1 1 40 40 GLU C C 40 174.913 174.913 175.142 -0.229 17840 4390 1 14 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.551 -1.154 17840 4391 1 14 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.981 -0.484 17840 4392 1 14 . 1 1 40 40 GLU H H 40 8.479 8.479 8.967 -0.488 17840 4393 1 14 . 1 1 41 41 GLY N N 41 107.295 107.295 107.722 -0.427 17840 4394 1 14 . 1 1 41 41 GLY C C 41 174.558 174.558 173.114 1.444 17840 4395 1 14 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.266 0.035 17840 4396 1 14 . 1 1 41 41 GLY H H 41 7.868 7.868 8.068 -0.200 17840 4397 1 14 . 1 1 42 42 VAL N N 42 120.789 120.789 121.094 -0.305 17840 4398 1 14 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.621 -0.237 17840 4399 1 14 . 1 1 42 42 VAL C C 42 176.399 176.399 174.287 2.112 17840 4400 1 14 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.416 2.051 17840 4401 1 14 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.826 -1.433 17840 4402 1 14 . 1 1 42 42 VAL H H 42 8.087 8.087 7.759 0.328 17840 4403 1 14 . 1 1 43 43 TRP N N 43 130.892 130.892 126.949 3.943 17840 4404 1 14 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.164 0.084 17840 4405 1 14 . 1 1 43 43 TRP C C 43 176.821 176.821 176.313 0.508 17840 4406 1 14 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.408 1.618 17840 4407 1 14 . 1 1 43 43 TRP CB C 43 29.775 29.775 31.146 -1.371 17840 4408 1 14 . 1 1 43 43 TRP H H 43 9.224 9.224 8.514 0.710 17840 4409 1 14 . 1 1 44 44 THR N N 44 114.739 114.739 117.647 -2.908 17840 4410 1 14 . 1 1 44 44 THR HA H 44 4.802 4.802 4.840 -0.038 17840 4411 1 14 . 1 1 44 44 THR C C 44 171.963 171.963 172.466 -0.503 17840 4412 1 14 . 1 1 44 44 THR CA C 44 60.996 60.996 61.017 -0.021 17840 4413 1 14 . 1 1 44 44 THR CB C 44 72.649 72.649 71.759 0.890 17840 4414 1 14 . 1 1 44 44 THR H H 44 9.093 9.093 9.265 -0.172 17840 4415 1 14 . 1 1 45 45 TYR N N 45 121.068 121.068 123.877 -2.809 17840 4416 1 14 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.983 0.021 17840 4417 1 14 . 1 1 45 45 TYR C C 45 173.472 173.472 174.006 -0.534 17840 4418 1 14 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.252 -0.168 17840 4419 1 14 . 1 1 45 45 TYR CB C 45 41.234 41.234 40.965 0.269 17840 4420 1 14 . 1 1 45 45 TYR H H 45 8.474 8.474 8.660 -0.186 17840 4421 1 14 . 1 1 46 46 LYS N N 46 128.497 128.497 127.703 0.794 17840 4422 1 14 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.531 -0.198 17840 4423 1 14 . 1 1 46 46 LYS C C 46 174.847 174.847 175.641 -0.794 17840 4424 1 14 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.998 -1.026 17840 4425 1 14 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.264 -0.417 17840 4426 1 14 . 1 1 46 46 LYS H H 46 7.144 7.144 7.939 -0.795 17840 4427 1 14 . 1 1 47 47 ASP N N 47 126.400 126.400 122.897 3.503 17840 4428 1 14 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.516 -0.511 17840 4429 1 14 . 1 1 47 47 ASP C C 47 179.191 179.191 176.561 2.630 17840 4430 1 14 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.643 2.785 17840 4431 1 14 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.493 1.795 17840 4432 1 14 . 1 1 47 47 ASP H H 47 8.513 8.513 8.857 -0.344 17840 4433 1 14 . 1 1 48 48 GLU N N 48 118.126 118.126 119.896 -1.770 17840 4434 1 14 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.137 -0.064 17840 4435 1 14 . 1 1 48 48 GLU C C 48 176.976 176.976 176.842 0.134 17840 4436 1 14 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.413 1.627 17840 4437 1 14 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.999 -1.342 17840 4438 1 14 . 1 1 48 48 GLU H H 48 9.618 9.618 8.331 1.287 17840 4439 1 14 . 1 1 49 49 ILE N N 49 105.335 105.335 111.690 -6.355 17840 4440 1 14 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.263 0.356 17840 4441 1 14 . 1 1 49 49 ILE C C 49 175.290 175.290 174.069 1.221 17840 4442 1 14 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.551 0.838 17840 4443 1 14 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.215 1.126 17840 4444 1 14 . 1 1 49 49 ILE H H 49 6.187 6.187 7.504 -1.317 17840 4445 1 14 . 1 1 50 50 LYS N N 50 124.144 124.144 119.060 5.084 17840 4446 1 14 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.559 0.614 17840 4447 1 14 . 1 1 50 50 LYS C C 50 174.159 174.159 174.132 0.027 17840 4448 1 14 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.809 -0.892 17840 4449 1 14 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.653 -0.304 17840 4450 1 14 . 1 1 50 50 LYS H H 50 7.659 7.659 8.062 -0.403 17840 4451 1 14 . 1 1 51 51 THR N N 51 109.166 109.166 115.714 -6.548 17840 4452 1 14 . 1 1 51 51 THR HA H 51 5.650 5.650 4.945 0.705 17840 4453 1 14 . 1 1 51 51 THR C C 51 173.405 173.405 172.154 1.251 17840 4454 1 14 . 1 1 51 51 THR CA C 51 62.262 62.262 60.920 1.342 17840 4455 1 14 . 1 1 51 51 THR CB C 51 73.271 73.271 70.811 2.461 17840 4456 1 14 . 1 1 51 51 THR H H 51 6.843 6.843 7.154 -0.311 17840 4457 1 14 . 1 1 52 52 PHE N N 52 130.917 130.917 126.982 3.935 17840 4458 1 14 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.040 0.519 17840 4459 1 14 . 1 1 52 52 PHE C C 52 173.627 173.627 174.567 -0.940 17840 4460 1 14 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.094 1.176 17840 4461 1 14 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.688 -0.533 17840 4462 1 14 . 1 1 52 52 PHE H H 52 10.025 10.025 8.739 1.286 17840 4463 1 14 . 1 1 53 53 THR N N 53 117.627 117.627 114.498 3.129 17840 4464 1 14 . 1 1 53 53 THR HA H 53 5.217 5.217 4.695 0.522 17840 4465 1 14 . 1 1 53 53 THR C C 53 171.586 171.586 172.781 -1.195 17840 4466 1 14 . 1 1 53 53 THR CA C 53 61.724 61.724 60.937 0.787 17840 4467 1 14 . 1 1 53 53 THR CB C 53 70.567 70.567 71.397 -0.830 17840 4468 1 14 . 1 1 53 53 THR H H 53 8.927 8.927 9.483 -0.556 17840 4469 1 14 . 1 1 54 54 VAL N N 54 124.587 124.587 126.193 -1.606 17840 4470 1 14 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.964 0.463 17840 4471 1 14 . 1 1 54 54 VAL C C 54 172.873 172.873 175.224 -2.351 17840 4472 1 14 . 1 1 54 54 VAL CA C 54 59.619 59.619 61.282 -1.663 17840 4473 1 14 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.130 0.532 17840 4474 1 14 . 1 1 54 54 VAL H H 54 8.302 8.302 8.144 0.158 17840 4475 1 14 . 1 1 55 55 THR N N 55 124.116 124.116 124.551 -0.435 17840 4476 1 14 . 1 1 55 55 THR HA H 55 4.769 4.769 5.190 -0.421 17840 4477 1 14 . 1 1 55 55 THR C C 55 173.294 173.294 173.648 -0.354 17840 4478 1 14 . 1 1 55 55 THR CA C 55 61.698 61.698 60.710 0.988 17840 4479 1 14 . 1 1 55 55 THR CB C 55 71.382 71.382 70.842 0.540 17840 4480 1 14 . 1 1 55 55 THR H H 55 8.229 8.229 8.207 0.022 17840 4481 1 15 . 1 1 2 2 THR N N 2 123.900 123.900 117.843 6.057 17840 4482 1 15 . 1 1 2 2 THR HA H 2 4.311 4.311 4.454 -0.143 17840 4483 1 15 . 1 1 2 2 THR C C 2 172.130 172.130 173.479 -1.349 17840 4484 1 15 . 1 1 2 2 THR CA C 2 63.855 63.855 63.138 0.717 17840 4485 1 15 . 1 1 2 2 THR CB C 2 68.688 68.688 68.931 -0.243 17840 4486 1 15 . 1 1 2 2 THR H H 2 8.670 8.670 8.172 0.498 17840 4487 1 15 . 1 1 3 3 TYR N N 3 127.206 127.206 128.437 -1.231 17840 4488 1 15 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.184 0.177 17840 4489 1 15 . 1 1 3 3 TYR C C 3 173.427 173.427 174.575 -1.148 17840 4490 1 15 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.890 0.063 17840 4491 1 15 . 1 1 3 3 TYR CB C 3 43.108 43.108 41.456 1.652 17840 4492 1 15 . 1 1 3 3 TYR H H 3 8.657 8.657 8.575 0.082 17840 4493 1 15 . 1 1 4 4 LYS N N 4 120.377 120.377 124.726 -4.349 17840 4494 1 15 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.379 0.022 17840 4495 1 15 . 1 1 4 4 LYS C C 4 172.296 172.296 174.419 -2.123 17840 4496 1 15 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.721 -0.061 17840 4497 1 15 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.657 -0.707 17840 4498 1 15 . 1 1 4 4 LYS H H 4 8.599 8.599 8.380 0.219 17840 4499 1 15 . 1 1 5 5 LEU N N 5 126.484 126.484 120.775 5.709 17840 4500 1 15 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.372 -0.349 17840 4501 1 15 . 1 1 5 5 LEU C C 5 174.359 174.359 174.945 -0.586 17840 4502 1 15 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.411 -0.874 17840 4503 1 15 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.407 -2.245 17840 4504 1 15 . 1 1 5 5 LEU H H 5 8.781 8.781 8.438 0.343 17840 4505 1 15 . 1 1 6 6 ILE N N 6 126.235 126.235 122.716 3.519 17840 4506 1 15 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.752 -0.384 17840 4507 1 15 . 1 1 6 6 ILE C C 6 173.982 173.982 174.361 -0.379 17840 4508 1 15 . 1 1 6 6 ILE CA C 6 60.462 60.462 60.022 0.440 17840 4509 1 15 . 1 1 6 6 ILE CB C 6 38.716 38.716 40.122 -1.406 17840 4510 1 15 . 1 1 6 6 ILE H H 6 8.895 8.895 8.413 0.482 17840 4511 1 15 . 1 1 7 7 LEU N N 7 125.986 125.986 128.346 -2.360 17840 4512 1 15 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.806 -0.409 17840 4513 1 15 . 1 1 7 7 LEU C C 7 173.915 173.915 175.627 -1.712 17840 4514 1 15 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.742 -0.113 17840 4515 1 15 . 1 1 7 7 LEU CB C 7 41.312 41.312 42.912 -1.600 17840 4516 1 15 . 1 1 7 7 LEU H H 7 8.627 8.627 7.857 0.770 17840 4517 1 15 . 1 1 8 8 ASN N N 8 125.244 125.244 122.635 2.609 17840 4518 1 15 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.955 0.115 17840 4519 1 15 . 1 1 8 8 ASN C C 8 173.960 173.960 174.129 -0.169 17840 4520 1 15 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.532 -0.719 17840 4521 1 15 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.569 -2.707 17840 4522 1 15 . 1 1 8 8 ASN H H 8 8.762 8.762 8.733 0.029 17840 4523 1 15 . 1 1 9 9 LEU N N 9 121.294 121.294 121.760 -0.466 17840 4524 1 15 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.868 -0.235 17840 4525 1 15 . 1 1 9 9 LEU C C 9 176.821 176.821 176.500 0.321 17840 4526 1 15 . 1 1 9 9 LEU CA C 9 53.418 53.418 52.942 0.476 17840 4527 1 15 . 1 1 9 9 LEU CB C 9 41.422 41.422 44.605 -3.183 17840 4528 1 15 . 1 1 9 9 LEU H H 9 7.409 7.409 7.750 -0.342 17840 4529 1 15 . 1 1 10 10 LYS N N 10 120.567 120.567 120.311 0.256 17840 4530 1 15 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.159 -0.223 17840 4531 1 15 . 1 1 10 10 LYS C C 10 179.217 179.217 175.796 3.421 17840 4532 1 15 . 1 1 10 10 LYS CA C 10 59.712 59.712 57.448 2.264 17840 4533 1 15 . 1 1 10 10 LYS CB C 10 31.806 31.806 31.519 0.287 17840 4534 1 15 . 1 1 10 10 LYS H H 10 8.935 8.935 8.443 0.492 17840 4535 1 15 . 1 1 11 11 GLN N N 11 112.875 112.875 119.473 -6.598 17840 4536 1 15 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.279 0.032 17840 4537 1 15 . 1 1 11 11 GLN C C 11 174.891 174.891 174.047 0.844 17840 4538 1 15 . 1 1 11 11 GLN CA C 11 55.966 55.966 56.472 -0.506 17840 4539 1 15 . 1 1 11 11 GLN CB C 11 29.158 29.158 30.213 -1.056 17840 4540 1 15 . 1 1 11 11 GLN H H 11 8.296 8.296 8.693 -0.397 17840 4541 1 15 . 1 1 12 12 ALA N N 12 119.661 119.661 120.305 -0.644 17840 4542 1 15 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.422 -0.097 17840 4543 1 15 . 1 1 12 12 ALA C C 12 173.760 173.760 175.069 -1.309 17840 4544 1 15 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.015 0.494 17840 4545 1 15 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.671 0.741 17840 4546 1 15 . 1 1 12 12 ALA H H 12 6.849 6.849 7.811 -0.962 17840 4547 1 15 . 1 1 13 13 LYS N N 13 119.342 119.342 120.520 -1.178 17840 4548 1 15 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.082 0.189 17840 4549 1 15 . 1 1 13 13 LYS C C 13 175.801 175.801 175.979 -0.178 17840 4550 1 15 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.222 -0.087 17840 4551 1 15 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.867 -0.175 17840 4552 1 15 . 1 1 13 13 LYS H H 13 8.050 8.050 8.447 -0.397 17840 4553 1 15 . 1 1 14 14 GLU N N 14 123.266 123.266 123.771 -0.505 17840 4554 1 15 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.590 0.149 17840 4555 1 15 . 1 1 14 14 GLU C C 14 173.316 173.316 174.641 -1.325 17840 4556 1 15 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.510 -0.668 17840 4557 1 15 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.489 1.871 17840 4558 1 15 . 1 1 14 14 GLU H H 14 8.327 8.327 8.835 -0.508 17840 4559 1 15 . 1 1 15 15 GLU N N 15 119.898 119.898 120.237 -0.339 17840 4560 1 15 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.061 0.448 17840 4561 1 15 . 1 1 15 15 GLU C C 15 174.270 174.270 174.984 -0.714 17840 4562 1 15 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.477 -0.822 17840 4563 1 15 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.280 1.751 17840 4564 1 15 . 1 1 15 15 GLU H H 15 8.386 8.386 8.576 -0.190 17840 4565 1 15 . 1 1 16 16 ALA N N 16 125.415 125.415 128.140 -2.725 17840 4566 1 15 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.994 -0.120 17840 4567 1 15 . 1 1 16 16 ALA C C 16 174.403 174.403 175.473 -1.070 17840 4568 1 15 . 1 1 16 16 ALA CA C 16 51.364 51.364 50.553 0.811 17840 4569 1 15 . 1 1 16 16 ALA CB C 16 22.496 22.496 22.148 0.348 17840 4570 1 15 . 1 1 16 16 ALA H H 16 8.911 8.911 8.673 0.238 17840 4571 1 15 . 1 1 17 17 ILE N N 17 117.476 117.476 117.417 0.059 17840 4572 1 15 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.108 0.360 17840 4573 1 15 . 1 1 17 17 ILE C C 17 175.712 175.712 175.013 0.699 17840 4574 1 15 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.135 -0.262 17840 4575 1 15 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.660 1.502 17840 4576 1 15 . 1 1 17 17 ILE H H 17 8.329 8.329 8.447 -0.118 17840 4577 1 15 . 1 1 18 18 LYS N N 18 125.884 125.884 126.075 -0.191 17840 4578 1 15 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.762 -0.342 17840 4579 1 15 . 1 1 18 18 LYS C C 18 172.873 172.873 175.450 -2.577 17840 4580 1 15 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.393 -0.274 17840 4581 1 15 . 1 1 18 18 LYS CB C 18 37.230 37.230 34.569 2.661 17840 4582 1 15 . 1 1 18 18 LYS H H 18 9.050 9.050 9.383 -0.333 17840 4583 1 15 . 1 1 19 19 GLU N N 19 128.105 128.105 125.072 3.033 17840 4584 1 15 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.003 -0.030 17840 4585 1 15 . 1 1 19 19 GLU C C 19 175.135 175.135 175.367 -0.232 17840 4586 1 15 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.986 -0.585 17840 4587 1 15 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.724 -0.408 17840 4588 1 15 . 1 1 19 19 GLU H H 19 8.241 8.241 8.640 -0.399 17840 4589 1 15 . 1 1 20 20 LEU N N 20 127.206 127.206 126.519 0.687 17840 4590 1 15 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.727 -0.512 17840 4591 1 15 . 1 1 20 20 LEU C C 20 177.531 177.531 176.644 0.887 17840 4592 1 15 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.032 -0.826 17840 4593 1 15 . 1 1 20 20 LEU CB C 20 45.684 45.684 45.470 0.214 17840 4594 1 15 . 1 1 20 20 LEU H H 20 8.563 8.563 8.169 0.394 17840 4595 1 15 . 1 1 21 21 VAL N N 21 116.204 116.204 116.272 -0.068 17840 4596 1 15 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.318 -0.304 17840 4597 1 15 . 1 1 21 21 VAL C C 21 175.002 175.002 175.037 -0.035 17840 4598 1 15 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.105 3.229 17840 4599 1 15 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.088 -0.161 17840 4600 1 15 . 1 1 21 21 VAL H H 21 8.094 8.094 8.426 -0.332 17840 4601 1 15 . 1 1 22 22 ASP N N 22 114.375 114.375 121.387 -7.012 17840 4602 1 15 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.884 -0.046 17840 4603 1 15 . 1 1 22 22 ASP C C 22 174.536 174.536 176.059 -1.523 17840 4604 1 15 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.027 -0.880 17840 4605 1 15 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.731 -1.039 17840 4606 1 15 . 1 1 22 22 ASP H H 22 6.862 6.862 7.697 -0.835 17840 4607 1 15 . 1 1 23 23 ALA N N 23 121.084 121.084 126.133 -5.049 17840 4608 1 15 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.211 -1.211 17840 4609 1 15 . 1 1 23 23 ALA C C 23 180.082 180.082 178.503 1.579 17840 4610 1 15 . 1 1 23 23 ALA CA C 23 54.843 54.843 54.248 0.595 17840 4611 1 15 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.056 -1.436 17840 4612 1 15 . 1 1 23 23 ALA H H 23 8.389 8.389 8.728 -0.339 17840 4613 1 15 . 1 1 24 24 GLY N N 24 108.035 108.035 107.223 0.812 17840 4614 1 15 . 1 1 24 24 GLY C C 24 176.910 176.910 175.332 1.578 17840 4615 1 15 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.888 0.145 17840 4616 1 15 . 1 1 24 24 GLY H H 24 8.391 8.391 8.304 0.087 17840 4617 1 15 . 1 1 25 25 THR N N 25 120.237 120.237 119.920 0.317 17840 4618 1 15 . 1 1 25 25 THR HA H 25 4.000 4.000 4.036 -0.036 17840 4619 1 15 . 1 1 25 25 THR C C 25 176.555 176.555 176.486 0.069 17840 4620 1 15 . 1 1 25 25 THR CA C 25 66.900 66.900 66.481 0.419 17840 4621 1 15 . 1 1 25 25 THR CB C 25 68.095 68.095 68.237 -0.142 17840 4622 1 15 . 1 1 25 25 THR H H 25 8.071 8.071 8.051 0.020 17840 4623 1 15 . 1 1 26 26 ALA N N 26 124.685 124.685 122.674 2.011 17840 4624 1 15 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.035 -0.575 17840 4625 1 15 . 1 1 26 26 ALA C C 26 175.734 175.734 178.758 -3.024 17840 4626 1 15 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.963 -2.120 17840 4627 1 15 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.151 -0.749 17840 4628 1 15 . 1 1 26 26 ALA H H 26 7.444 7.444 7.855 -0.411 17840 4629 1 15 . 1 1 27 27 GLU N N 27 119.278 119.278 118.045 1.233 17840 4630 1 15 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.198 -1.401 17840 4631 1 15 . 1 1 27 27 GLU C C 27 177.131 177.131 178.856 -1.725 17840 4632 1 15 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.026 1.111 17840 4633 1 15 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.252 -0.024 17840 4634 1 15 . 1 1 27 27 GLU H H 27 8.121 8.121 7.552 0.569 17840 4635 1 15 . 1 1 28 28 LYS N N 28 115.377 115.377 120.756 -5.379 17840 4636 1 15 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.022 -0.382 17840 4637 1 15 . 1 1 28 28 LYS C C 28 178.640 178.640 178.908 -0.268 17840 4638 1 15 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.375 0.476 17840 4639 1 15 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.426 -0.020 17840 4640 1 15 . 1 1 28 28 LYS H H 28 6.847 6.847 8.170 -1.323 17840 4641 1 15 . 1 1 29 29 TYR N N 29 119.713 119.713 120.882 -1.169 17840 4642 1 15 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.096 0.013 17840 4643 1 15 . 1 1 29 29 TYR C C 29 177.619 177.619 177.926 -0.307 17840 4644 1 15 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.793 -0.520 17840 4645 1 15 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.373 -0.399 17840 4646 1 15 . 1 1 29 29 TYR H H 29 7.358 7.358 7.937 -0.579 17840 4647 1 15 . 1 1 30 30 PHE N N 30 117.565 117.565 117.514 0.051 17840 4648 1 15 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.290 0.217 17840 4649 1 15 . 1 1 30 30 PHE C C 30 178.507 178.507 178.256 0.251 17840 4650 1 15 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.346 -2.784 17840 4651 1 15 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.537 -0.914 17840 4652 1 15 . 1 1 30 30 PHE H H 30 8.601 8.601 7.965 0.636 17840 4653 1 15 . 1 1 31 31 LYS N N 31 121.534 121.534 120.660 0.874 17840 4654 1 15 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.249 -0.231 17840 4655 1 15 . 1 1 31 31 LYS C C 31 178.751 178.751 179.164 -0.413 17840 4656 1 15 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.702 0.257 17840 4657 1 15 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.349 -0.644 17840 4658 1 15 . 1 1 31 31 LYS H H 31 8.310 8.310 7.881 0.429 17840 4659 1 15 . 1 1 32 32 LEU N N 32 118.368 118.368 121.796 -3.428 17840 4660 1 15 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.007 0.119 17840 4661 1 15 . 1 1 32 32 LEU C C 32 180.636 180.636 178.723 1.913 17840 4662 1 15 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.350 -0.260 17840 4663 1 15 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.882 -0.585 17840 4664 1 15 . 1 1 32 32 LEU H H 32 6.890 6.890 8.266 -1.376 17840 4665 1 15 . 1 1 33 33 ILE N N 33 118.866 118.866 119.278 -0.412 17840 4666 1 15 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.665 0.032 17840 4667 1 15 . 1 1 33 33 ILE C C 33 178.485 178.485 177.529 0.956 17840 4668 1 15 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.920 -0.036 17840 4669 1 15 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.721 -0.207 17840 4670 1 15 . 1 1 33 33 ILE H H 33 6.985 6.985 7.853 -0.868 17840 4671 1 15 . 1 1 34 34 ALA N N 34 121.160 121.160 122.023 -0.863 17840 4672 1 15 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.934 0.005 17840 4673 1 15 . 1 1 34 34 ALA C C 34 179.372 179.372 179.298 0.074 17840 4674 1 15 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.498 -0.265 17840 4675 1 15 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.258 0.416 17840 4676 1 15 . 1 1 34 34 ALA H H 34 8.312 8.312 8.124 0.188 17840 4677 1 15 . 1 1 35 35 ASN N N 35 116.166 116.166 117.101 -0.935 17840 4678 1 15 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.610 -0.024 17840 4679 1 15 . 1 1 35 35 ASN C C 35 173.871 173.871 176.802 -2.931 17840 4680 1 15 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.913 -0.218 17840 4681 1 15 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.701 -0.570 17840 4682 1 15 . 1 1 35 35 ASN H H 35 8.222 8.222 8.638 -0.416 17840 4683 1 15 . 1 1 36 36 ALA N N 36 121.269 121.269 121.278 -0.009 17840 4684 1 15 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.359 -0.079 17840 4685 1 15 . 1 1 36 36 ALA C C 36 178.507 178.507 178.664 -0.157 17840 4686 1 15 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.557 0.526 17840 4687 1 15 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.065 -0.154 17840 4688 1 15 . 1 1 36 36 ALA H H 36 7.397 7.397 7.972 -0.575 17840 4689 1 15 . 1 1 37 37 LYS N N 37 116.114 116.114 118.426 -2.312 17840 4690 1 15 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.279 0.027 17840 4691 1 15 . 1 1 37 37 LYS C C 37 175.401 175.401 177.119 -1.718 17840 4692 1 15 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.785 -1.522 17840 4693 1 15 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.531 0.400 17840 4694 1 15 . 1 1 37 37 LYS H H 37 7.371 7.371 8.106 -0.735 17840 4695 1 15 . 1 1 38 38 THR N N 38 113.187 113.187 112.502 0.685 17840 4696 1 15 . 1 1 38 38 THR HA H 38 4.300 4.300 4.509 -0.209 17840 4697 1 15 . 1 1 38 38 THR C C 38 173.139 173.139 173.313 -0.174 17840 4698 1 15 . 1 1 38 38 THR CA C 38 61.530 61.530 61.470 0.060 17840 4699 1 15 . 1 1 38 38 THR CB C 38 69.468 69.468 70.419 -0.951 17840 4700 1 15 . 1 1 38 38 THR H H 38 7.812 7.812 7.928 -0.116 17840 4701 1 15 . 1 1 39 39 VAL N N 39 122.490 122.490 118.869 3.621 17840 4702 1 15 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.395 -0.143 17840 4703 1 15 . 1 1 39 39 VAL C C 39 174.869 174.869 174.509 0.360 17840 4704 1 15 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.969 0.541 17840 4705 1 15 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.502 0.159 17840 4706 1 15 . 1 1 39 39 VAL H H 39 8.091 8.091 8.215 -0.124 17840 4707 1 15 . 1 1 40 40 GLU N N 40 124.998 124.998 127.203 -2.205 17840 4708 1 15 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.606 -0.062 17840 4709 1 15 . 1 1 40 40 GLU C C 40 174.913 174.913 175.290 -0.377 17840 4710 1 15 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.629 -1.232 17840 4711 1 15 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.822 -0.325 17840 4712 1 15 . 1 1 40 40 GLU H H 40 8.479 8.479 8.989 -0.510 17840 4713 1 15 . 1 1 41 41 GLY N N 41 107.295 107.295 107.874 -0.579 17840 4714 1 15 . 1 1 41 41 GLY C C 41 174.558 174.558 173.020 1.538 17840 4715 1 15 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.958 0.343 17840 4716 1 15 . 1 1 41 41 GLY H H 41 7.868 7.868 8.076 -0.208 17840 4717 1 15 . 1 1 42 42 VAL N N 42 120.789 120.789 121.491 -0.702 17840 4718 1 15 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.583 -0.199 17840 4719 1 15 . 1 1 42 42 VAL C C 42 176.399 176.399 174.212 2.187 17840 4720 1 15 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.034 2.433 17840 4721 1 15 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.609 -1.216 17840 4722 1 15 . 1 1 42 42 VAL H H 42 8.087 8.087 8.051 0.036 17840 4723 1 15 . 1 1 43 43 TRP N N 43 130.892 130.892 126.685 4.207 17840 4724 1 15 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.173 0.075 17840 4725 1 15 . 1 1 43 43 TRP C C 43 176.821 176.821 176.173 0.648 17840 4726 1 15 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.462 1.564 17840 4727 1 15 . 1 1 43 43 TRP CB C 43 29.775 29.775 31.203 -1.428 17840 4728 1 15 . 1 1 43 43 TRP H H 43 9.224 9.224 8.527 0.697 17840 4729 1 15 . 1 1 44 44 THR N N 44 114.739 114.739 119.063 -4.324 17840 4730 1 15 . 1 1 44 44 THR HA H 44 4.802 4.802 4.906 -0.104 17840 4731 1 15 . 1 1 44 44 THR C C 44 171.963 171.963 172.630 -0.667 17840 4732 1 15 . 1 1 44 44 THR CA C 44 60.996 60.996 60.977 0.019 17840 4733 1 15 . 1 1 44 44 THR CB C 44 72.649 72.649 71.527 1.122 17840 4734 1 15 . 1 1 44 44 THR H H 44 9.093 9.093 9.206 -0.113 17840 4735 1 15 . 1 1 45 45 TYR N N 45 121.068 121.068 122.514 -1.446 17840 4736 1 15 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.184 -0.180 17840 4737 1 15 . 1 1 45 45 TYR C C 45 173.472 173.472 173.779 -0.307 17840 4738 1 15 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.151 -0.067 17840 4739 1 15 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.454 -1.220 17840 4740 1 15 . 1 1 45 45 TYR H H 45 8.474 8.474 8.622 -0.148 17840 4741 1 15 . 1 1 46 46 LYS N N 46 128.497 128.497 123.448 5.049 17840 4742 1 15 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.389 -0.056 17840 4743 1 15 . 1 1 46 46 LYS C C 46 174.847 174.847 174.426 0.421 17840 4744 1 15 . 1 1 46 46 LYS CA C 46 53.972 53.972 55.305 -1.333 17840 4745 1 15 . 1 1 46 46 LYS CB C 46 33.847 33.847 35.039 -1.192 17840 4746 1 15 . 1 1 46 46 LYS H H 46 7.144 7.144 7.404 -0.260 17840 4747 1 15 . 1 1 47 47 ASP N N 47 126.400 126.400 125.319 1.081 17840 4748 1 15 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.490 -0.486 17840 4749 1 15 . 1 1 47 47 ASP C C 47 179.191 179.191 176.232 2.959 17840 4750 1 15 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.559 2.869 17840 4751 1 15 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.184 1.104 17840 4752 1 15 . 1 1 47 47 ASP H H 47 8.513 8.513 8.627 -0.114 17840 4753 1 15 . 1 1 48 48 GLU N N 48 118.126 118.126 117.648 0.478 17840 4754 1 15 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.261 -0.188 17840 4755 1 15 . 1 1 48 48 GLU C C 48 176.976 176.976 176.674 0.302 17840 4756 1 15 . 1 1 48 48 GLU CA C 48 60.040 60.040 57.551 2.489 17840 4757 1 15 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.443 -1.786 17840 4758 1 15 . 1 1 48 48 GLU H H 48 9.618 9.618 8.306 1.312 17840 4759 1 15 . 1 1 49 49 ILE N N 49 105.335 105.335 111.473 -6.138 17840 4760 1 15 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.356 0.263 17840 4761 1 15 . 1 1 49 49 ILE C C 49 175.290 175.290 174.608 0.682 17840 4762 1 15 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.484 0.905 17840 4763 1 15 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.923 0.417 17840 4764 1 15 . 1 1 49 49 ILE H H 49 6.187 6.187 7.253 -1.066 17840 4765 1 15 . 1 1 50 50 LYS N N 50 124.144 124.144 118.831 5.313 17840 4766 1 15 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.702 0.471 17840 4767 1 15 . 1 1 50 50 LYS C C 50 174.159 174.159 174.333 -0.174 17840 4768 1 15 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.894 -0.978 17840 4769 1 15 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.123 0.226 17840 4770 1 15 . 1 1 50 50 LYS H H 50 7.659 7.659 7.832 -0.173 17840 4771 1 15 . 1 1 51 51 THR N N 51 109.166 109.166 114.872 -5.706 17840 4772 1 15 . 1 1 51 51 THR HA H 51 5.650 5.650 5.442 0.208 17840 4773 1 15 . 1 1 51 51 THR C C 51 173.405 173.405 172.962 0.443 17840 4774 1 15 . 1 1 51 51 THR CA C 51 62.262 62.262 61.127 1.135 17840 4775 1 15 . 1 1 51 51 THR CB C 51 73.271 73.271 71.485 1.786 17840 4776 1 15 . 1 1 51 51 THR H H 51 6.843 6.843 7.402 -0.559 17840 4777 1 15 . 1 1 52 52 PHE N N 52 130.917 130.917 128.757 2.160 17840 4778 1 15 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.307 0.252 17840 4779 1 15 . 1 1 52 52 PHE C C 52 173.627 173.627 174.580 -0.953 17840 4780 1 15 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.437 0.833 17840 4781 1 15 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.725 -0.570 17840 4782 1 15 . 1 1 52 52 PHE H H 52 10.025 10.025 8.567 1.458 17840 4783 1 15 . 1 1 53 53 THR N N 53 117.627 117.627 114.876 2.751 17840 4784 1 15 . 1 1 53 53 THR HA H 53 5.217 5.217 4.818 0.399 17840 4785 1 15 . 1 1 53 53 THR C C 53 171.586 171.586 172.881 -1.295 17840 4786 1 15 . 1 1 53 53 THR CA C 53 61.724 61.724 60.822 0.902 17840 4787 1 15 . 1 1 53 53 THR CB C 53 70.567 70.567 71.362 -0.795 17840 4788 1 15 . 1 1 53 53 THR H H 53 8.927 8.927 9.551 -0.624 17840 4789 1 15 . 1 1 54 54 VAL N N 54 124.587 124.587 125.786 -1.199 17840 4790 1 15 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.147 0.280 17840 4791 1 15 . 1 1 54 54 VAL C C 54 172.873 172.873 175.564 -2.691 17840 4792 1 15 . 1 1 54 54 VAL CA C 54 59.619 59.619 61.323 -1.704 17840 4793 1 15 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.184 0.478 17840 4794 1 15 . 1 1 54 54 VAL H H 54 8.302 8.302 8.297 0.005 17840 4795 1 15 . 1 1 55 55 THR N N 55 124.116 124.116 118.847 5.269 17840 4796 1 15 . 1 1 55 55 THR HA H 55 4.769 4.769 4.787 -0.018 17840 4797 1 15 . 1 1 55 55 THR C C 55 173.294 173.294 173.970 -0.676 17840 4798 1 15 . 1 1 55 55 THR CA C 55 61.698 61.698 59.990 1.708 17840 4799 1 15 . 1 1 55 55 THR CB C 55 71.382 71.382 70.419 0.963 17840 4800 1 15 . 1 1 55 55 THR H H 55 8.229 8.229 8.378 -0.149 17840 4801 1 16 . 1 1 2 2 THR N N 2 123.900 123.900 118.845 5.055 17840 4802 1 16 . 1 1 2 2 THR HA H 2 4.311 4.311 4.415 -0.104 17840 4803 1 16 . 1 1 2 2 THR C C 2 172.130 172.130 173.452 -1.322 17840 4804 1 16 . 1 1 2 2 THR CA C 2 63.855 63.855 62.761 1.094 17840 4805 1 16 . 1 1 2 2 THR CB C 2 68.688 68.688 69.359 -0.671 17840 4806 1 16 . 1 1 2 2 THR H H 2 8.670 8.670 8.294 0.376 17840 4807 1 16 . 1 1 3 3 TYR N N 3 127.206 127.206 127.634 -0.428 17840 4808 1 16 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.085 0.276 17840 4809 1 16 . 1 1 3 3 TYR C C 3 173.427 173.427 174.439 -1.012 17840 4810 1 16 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.683 0.270 17840 4811 1 16 . 1 1 3 3 TYR CB C 3 43.108 43.108 41.391 1.717 17840 4812 1 16 . 1 1 3 3 TYR H H 3 8.657 8.657 8.643 0.014 17840 4813 1 16 . 1 1 4 4 LYS N N 4 120.377 120.377 124.837 -4.460 17840 4814 1 16 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.559 -0.158 17840 4815 1 16 . 1 1 4 4 LYS C C 4 172.296 172.296 174.536 -2.240 17840 4816 1 16 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.240 0.420 17840 4817 1 16 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.019 -1.069 17840 4818 1 16 . 1 1 4 4 LYS H H 4 8.599 8.599 8.515 0.084 17840 4819 1 16 . 1 1 5 5 LEU N N 5 126.484 126.484 121.298 5.186 17840 4820 1 16 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.617 -0.594 17840 4821 1 16 . 1 1 5 5 LEU C C 5 174.359 174.359 174.955 -0.596 17840 4822 1 16 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.325 -0.788 17840 4823 1 16 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.304 -2.143 17840 4824 1 16 . 1 1 5 5 LEU H H 5 8.781 8.781 8.226 0.555 17840 4825 1 16 . 1 1 6 6 ILE N N 6 126.235 126.235 123.201 3.034 17840 4826 1 16 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.049 -0.681 17840 4827 1 16 . 1 1 6 6 ILE C C 6 173.982 173.982 174.859 -0.877 17840 4828 1 16 . 1 1 6 6 ILE CA C 6 60.462 60.462 60.199 0.263 17840 4829 1 16 . 1 1 6 6 ILE CB C 6 38.716 38.716 40.028 -1.312 17840 4830 1 16 . 1 1 6 6 ILE H H 6 8.895 8.895 8.735 0.160 17840 4831 1 16 . 1 1 7 7 LEU N N 7 125.986 125.986 128.269 -2.283 17840 4832 1 16 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.706 -0.309 17840 4833 1 16 . 1 1 7 7 LEU C C 7 173.915 173.915 175.704 -1.789 17840 4834 1 16 . 1 1 7 7 LEU CA C 7 53.629 53.629 54.053 -0.424 17840 4835 1 16 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.395 -2.083 17840 4836 1 16 . 1 1 7 7 LEU H H 7 8.627 8.627 9.085 -0.458 17840 4837 1 16 . 1 1 8 8 ASN N N 8 125.244 125.244 122.191 3.053 17840 4838 1 16 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.990 0.080 17840 4839 1 16 . 1 1 8 8 ASN C C 8 173.960 173.960 173.331 0.629 17840 4840 1 16 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.705 -0.892 17840 4841 1 16 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.390 -2.528 17840 4842 1 16 . 1 1 8 8 ASN H H 8 8.762 8.762 8.834 -0.072 17840 4843 1 16 . 1 1 9 9 LEU N N 9 121.294 121.294 121.127 0.167 17840 4844 1 16 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.895 -0.262 17840 4845 1 16 . 1 1 9 9 LEU C C 9 176.821 176.821 176.634 0.187 17840 4846 1 16 . 1 1 9 9 LEU CA C 9 53.418 53.418 54.203 -0.785 17840 4847 1 16 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.702 -1.280 17840 4848 1 16 . 1 1 9 9 LEU H H 9 7.409 7.409 8.462 -1.053 17840 4849 1 16 . 1 1 10 10 LYS N N 10 120.567 120.567 120.473 0.094 17840 4850 1 16 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.856 0.080 17840 4851 1 16 . 1 1 10 10 LYS C C 10 179.217 179.217 176.967 2.250 17840 4852 1 16 . 1 1 10 10 LYS CA C 10 59.712 59.712 59.399 0.313 17840 4853 1 16 . 1 1 10 10 LYS CB C 10 31.806 31.806 31.025 0.781 17840 4854 1 16 . 1 1 10 10 LYS H H 10 8.935 8.935 8.934 0.001 17840 4855 1 16 . 1 1 11 11 GLN N N 11 112.875 112.875 115.537 -2.662 17840 4856 1 16 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.398 -0.087 17840 4857 1 16 . 1 1 11 11 GLN C C 11 174.891 174.891 175.598 -0.707 17840 4858 1 16 . 1 1 11 11 GLN CA C 11 55.966 55.966 56.136 -0.170 17840 4859 1 16 . 1 1 11 11 GLN CB C 11 29.158 29.158 30.037 -0.879 17840 4860 1 16 . 1 1 11 11 GLN H H 11 8.296 8.296 8.402 -0.106 17840 4861 1 16 . 1 1 12 12 ALA N N 12 119.661 119.661 126.009 -6.348 17840 4862 1 16 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.191 0.134 17840 4863 1 16 . 1 1 12 12 ALA C C 12 173.760 173.760 176.655 -2.895 17840 4864 1 16 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.221 0.288 17840 4865 1 16 . 1 1 12 12 ALA CB C 12 21.412 21.412 18.242 3.170 17840 4866 1 16 . 1 1 12 12 ALA H H 12 6.849 6.849 7.953 -1.104 17840 4867 1 16 . 1 1 13 13 LYS N N 13 119.342 119.342 122.763 -3.421 17840 4868 1 16 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.618 0.653 17840 4869 1 16 . 1 1 13 13 LYS C C 13 175.801 175.801 176.276 -0.475 17840 4870 1 16 . 1 1 13 13 LYS CA C 13 55.135 55.135 56.101 -0.966 17840 4871 1 16 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.656 0.036 17840 4872 1 16 . 1 1 13 13 LYS H H 13 8.050 8.050 7.718 0.332 17840 4873 1 16 . 1 1 14 14 GLU N N 14 123.266 123.266 123.997 -0.731 17840 4874 1 16 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.565 0.174 17840 4875 1 16 . 1 1 14 14 GLU C C 14 173.316 173.316 175.071 -1.755 17840 4876 1 16 . 1 1 14 14 GLU CA C 14 54.842 54.842 54.943 -0.101 17840 4877 1 16 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.420 1.940 17840 4878 1 16 . 1 1 14 14 GLU H H 14 8.327 8.327 8.317 0.010 17840 4879 1 16 . 1 1 15 15 GLU N N 15 119.898 119.898 122.508 -2.610 17840 4880 1 16 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.512 -0.003 17840 4881 1 16 . 1 1 15 15 GLU C C 15 174.270 174.270 175.033 -0.763 17840 4882 1 16 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.201 -0.546 17840 4883 1 16 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.208 0.823 17840 4884 1 16 . 1 1 15 15 GLU H H 15 8.386 8.386 8.687 -0.301 17840 4885 1 16 . 1 1 16 16 ALA N N 16 125.415 125.415 126.632 -1.217 17840 4886 1 16 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.654 0.220 17840 4887 1 16 . 1 1 16 16 ALA C C 16 174.403 174.403 175.074 -0.671 17840 4888 1 16 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.582 -0.218 17840 4889 1 16 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.583 0.913 17840 4890 1 16 . 1 1 16 16 ALA H H 16 8.911 8.911 8.198 0.713 17840 4891 1 16 . 1 1 17 17 ILE N N 17 117.476 117.476 120.459 -2.983 17840 4892 1 16 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.209 0.259 17840 4893 1 16 . 1 1 17 17 ILE C C 17 175.712 175.712 175.455 0.257 17840 4894 1 16 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.407 -0.534 17840 4895 1 16 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.877 1.286 17840 4896 1 16 . 1 1 17 17 ILE H H 17 8.329 8.329 8.378 -0.049 17840 4897 1 16 . 1 1 18 18 LYS N N 18 125.884 125.884 127.251 -1.367 17840 4898 1 16 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.686 -0.266 17840 4899 1 16 . 1 1 18 18 LYS C C 18 172.873 172.873 174.690 -1.817 17840 4900 1 16 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.061 0.058 17840 4901 1 16 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.499 1.731 17840 4902 1 16 . 1 1 18 18 LYS H H 18 9.050 9.050 9.440 -0.390 17840 4903 1 16 . 1 1 19 19 GLU N N 19 128.105 128.105 127.922 0.183 17840 4904 1 16 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.810 0.163 17840 4905 1 16 . 1 1 19 19 GLU C C 19 175.135 175.135 175.693 -0.558 17840 4906 1 16 . 1 1 19 19 GLU CA C 19 55.400 55.400 56.141 -0.741 17840 4907 1 16 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.923 -0.607 17840 4908 1 16 . 1 1 19 19 GLU H H 19 8.241 8.241 8.732 -0.491 17840 4909 1 16 . 1 1 20 20 LEU N N 20 127.206 127.206 127.063 0.143 17840 4910 1 16 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.677 -0.462 17840 4911 1 16 . 1 1 20 20 LEU C C 20 177.531 177.531 176.015 1.516 17840 4912 1 16 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.942 -0.736 17840 4913 1 16 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.559 1.125 17840 4914 1 16 . 1 1 20 20 LEU H H 20 8.563 8.563 8.410 0.153 17840 4915 1 16 . 1 1 21 21 VAL N N 21 116.204 116.204 119.365 -3.161 17840 4916 1 16 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.128 -0.114 17840 4917 1 16 . 1 1 21 21 VAL C C 21 175.002 175.002 174.609 0.393 17840 4918 1 16 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.755 2.579 17840 4919 1 16 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.427 -0.500 17840 4920 1 16 . 1 1 21 21 VAL H H 21 8.094 8.094 8.348 -0.254 17840 4921 1 16 . 1 1 22 22 ASP N N 22 114.375 114.375 119.402 -5.027 17840 4922 1 16 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.772 0.066 17840 4923 1 16 . 1 1 22 22 ASP C C 22 174.536 174.536 175.548 -1.012 17840 4924 1 16 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.191 -1.044 17840 4925 1 16 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.697 -1.005 17840 4926 1 16 . 1 1 22 22 ASP H H 22 6.862 6.862 7.553 -0.691 17840 4927 1 16 . 1 1 23 23 ALA N N 23 121.084 121.084 126.519 -5.435 17840 4928 1 16 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.305 -1.305 17840 4929 1 16 . 1 1 23 23 ALA C C 23 180.082 180.082 178.360 1.722 17840 4930 1 16 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.552 1.291 17840 4931 1 16 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.385 -1.765 17840 4932 1 16 . 1 1 23 23 ALA H H 23 8.389 8.389 8.574 -0.185 17840 4933 1 16 . 1 1 24 24 GLY N N 24 108.035 108.035 107.145 0.890 17840 4934 1 16 . 1 1 24 24 GLY C C 24 176.910 176.910 175.724 1.186 17840 4935 1 16 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.881 0.152 17840 4936 1 16 . 1 1 24 24 GLY H H 24 8.391 8.391 7.896 0.495 17840 4937 1 16 . 1 1 25 25 THR N N 25 120.237 120.237 116.983 3.254 17840 4938 1 16 . 1 1 25 25 THR HA H 25 4.000 4.000 3.977 0.023 17840 4939 1 16 . 1 1 25 25 THR C C 25 176.555 176.555 176.400 0.155 17840 4940 1 16 . 1 1 25 25 THR CA C 25 66.900 66.900 65.661 1.239 17840 4941 1 16 . 1 1 25 25 THR CB C 25 68.095 68.095 67.894 0.201 17840 4942 1 16 . 1 1 25 25 THR H H 25 8.071 8.071 8.015 0.056 17840 4943 1 16 . 1 1 26 26 ALA N N 26 124.685 124.685 123.284 1.401 17840 4944 1 16 . 1 1 26 26 ALA HA H 26 3.461 3.461 3.935 -0.474 17840 4945 1 16 . 1 1 26 26 ALA C C 26 175.734 175.734 178.783 -3.049 17840 4946 1 16 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.511 -1.668 17840 4947 1 16 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.003 -0.601 17840 4948 1 16 . 1 1 26 26 ALA H H 26 7.444 7.444 7.504 -0.060 17840 4949 1 16 . 1 1 27 27 GLU N N 27 119.278 119.278 118.219 1.059 17840 4950 1 16 . 1 1 27 27 GLU HA H 27 2.797 2.797 3.974 -1.177 17840 4951 1 16 . 1 1 27 27 GLU C C 27 177.131 177.131 178.615 -1.484 17840 4952 1 16 . 1 1 27 27 GLU CA C 27 60.137 60.137 58.533 1.604 17840 4953 1 16 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.115 0.112 17840 4954 1 16 . 1 1 27 27 GLU H H 27 8.121 8.121 7.323 0.798 17840 4955 1 16 . 1 1 28 28 LYS N N 28 115.377 115.377 120.631 -5.254 17840 4956 1 16 . 1 1 28 28 LYS HA H 28 3.640 3.640 3.961 -0.321 17840 4957 1 16 . 1 1 28 28 LYS C C 28 178.640 178.640 178.945 -0.305 17840 4958 1 16 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.580 0.271 17840 4959 1 16 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.541 -0.136 17840 4960 1 16 . 1 1 28 28 LYS H H 28 6.847 6.847 8.447 -1.600 17840 4961 1 16 . 1 1 29 29 TYR N N 29 119.713 119.713 119.649 0.064 17840 4962 1 16 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.187 -0.078 17840 4963 1 16 . 1 1 29 29 TYR C C 29 177.619 177.619 178.187 -0.568 17840 4964 1 16 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.795 -0.522 17840 4965 1 16 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.525 -0.551 17840 4966 1 16 . 1 1 29 29 TYR H H 29 7.358 7.358 7.791 -0.433 17840 4967 1 16 . 1 1 30 30 PHE N N 30 117.565 117.565 117.790 -0.225 17840 4968 1 16 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.322 0.185 17840 4969 1 16 . 1 1 30 30 PHE C C 30 178.507 178.507 178.182 0.325 17840 4970 1 16 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.584 -2.022 17840 4971 1 16 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.571 -0.948 17840 4972 1 16 . 1 1 30 30 PHE H H 30 8.601 8.601 7.969 0.632 17840 4973 1 16 . 1 1 31 31 LYS N N 31 121.534 121.534 120.659 0.875 17840 4974 1 16 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.268 -0.250 17840 4975 1 16 . 1 1 31 31 LYS C C 31 178.751 178.751 179.213 -0.462 17840 4976 1 16 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.337 0.622 17840 4977 1 16 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.399 -0.695 17840 4978 1 16 . 1 1 31 31 LYS H H 31 8.310 8.310 8.021 0.289 17840 4979 1 16 . 1 1 32 32 LEU N N 32 118.368 118.368 121.662 -3.294 17840 4980 1 16 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.011 0.115 17840 4981 1 16 . 1 1 32 32 LEU C C 32 180.636 180.636 178.406 2.230 17840 4982 1 16 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.353 -0.263 17840 4983 1 16 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.057 -0.760 17840 4984 1 16 . 1 1 32 32 LEU H H 32 6.890 6.890 7.951 -1.061 17840 4985 1 16 . 1 1 33 33 ILE N N 33 118.866 118.866 119.555 -0.689 17840 4986 1 16 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.640 0.057 17840 4987 1 16 . 1 1 33 33 ILE C C 33 178.485 178.485 177.288 1.197 17840 4988 1 16 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.879 0.005 17840 4989 1 16 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.733 -0.219 17840 4990 1 16 . 1 1 33 33 ILE H H 33 6.985 6.985 7.827 -0.842 17840 4991 1 16 . 1 1 34 34 ALA N N 34 121.160 121.160 121.213 -0.053 17840 4992 1 16 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.828 0.111 17840 4993 1 16 . 1 1 34 34 ALA C C 34 179.372 179.372 179.261 0.111 17840 4994 1 16 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.600 -0.367 17840 4995 1 16 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.015 0.659 17840 4996 1 16 . 1 1 34 34 ALA H H 34 8.312 8.312 7.788 0.524 17840 4997 1 16 . 1 1 35 35 ASN N N 35 116.166 116.166 117.183 -1.017 17840 4998 1 16 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.476 0.110 17840 4999 1 16 . 1 1 35 35 ASN C C 35 173.871 173.871 177.350 -3.479 17840 5000 1 16 . 1 1 35 35 ASN CA C 35 55.695 55.695 56.333 -0.638 17840 5001 1 16 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.617 -0.486 17840 5002 1 16 . 1 1 35 35 ASN H H 35 8.222 8.222 7.771 0.451 17840 5003 1 16 . 1 1 36 36 ALA N N 36 121.269 121.269 121.012 0.257 17840 5004 1 16 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.159 0.121 17840 5005 1 16 . 1 1 36 36 ALA C C 36 178.507 178.507 179.073 -0.566 17840 5006 1 16 . 1 1 36 36 ALA CA C 36 54.083 54.083 54.228 -0.145 17840 5007 1 16 . 1 1 36 36 ALA CB C 36 18.911 18.911 18.648 0.263 17840 5008 1 16 . 1 1 36 36 ALA H H 36 7.397 7.397 7.708 -0.311 17840 5009 1 16 . 1 1 37 37 LYS N N 37 116.114 116.114 118.327 -2.213 17840 5010 1 16 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.275 0.031 17840 5011 1 16 . 1 1 37 37 LYS C C 37 175.401 175.401 176.950 -1.549 17840 5012 1 16 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.569 -1.306 17840 5013 1 16 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.346 0.585 17840 5014 1 16 . 1 1 37 37 LYS H H 37 7.371 7.371 8.042 -0.671 17840 5015 1 16 . 1 1 38 38 THR N N 38 113.187 113.187 113.674 -0.487 17840 5016 1 16 . 1 1 38 38 THR HA H 38 4.300 4.300 4.525 -0.225 17840 5017 1 16 . 1 1 38 38 THR C C 38 173.139 173.139 173.185 -0.046 17840 5018 1 16 . 1 1 38 38 THR CA C 38 61.530 61.530 61.796 -0.266 17840 5019 1 16 . 1 1 38 38 THR CB C 38 69.468 69.468 70.514 -1.046 17840 5020 1 16 . 1 1 38 38 THR H H 38 7.812 7.812 8.374 -0.562 17840 5021 1 16 . 1 1 39 39 VAL N N 39 122.490 122.490 118.804 3.686 17840 5022 1 16 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.484 -0.232 17840 5023 1 16 . 1 1 39 39 VAL C C 39 174.869 174.869 174.468 0.401 17840 5024 1 16 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.536 0.974 17840 5025 1 16 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.497 -0.836 17840 5026 1 16 . 1 1 39 39 VAL H H 39 8.091 8.091 8.253 -0.162 17840 5027 1 16 . 1 1 40 40 GLU N N 40 124.998 124.998 126.782 -1.784 17840 5028 1 16 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.484 0.060 17840 5029 1 16 . 1 1 40 40 GLU C C 40 174.913 174.913 175.571 -0.658 17840 5030 1 16 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.547 -1.150 17840 5031 1 16 . 1 1 40 40 GLU CB C 40 30.497 30.497 31.470 -0.973 17840 5032 1 16 . 1 1 40 40 GLU H H 40 8.479 8.479 8.648 -0.169 17840 5033 1 16 . 1 1 41 41 GLY N N 41 107.295 107.295 111.255 -3.960 17840 5034 1 16 . 1 1 41 41 GLY C C 41 174.558 174.558 172.659 1.899 17840 5035 1 16 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.648 -0.347 17840 5036 1 16 . 1 1 41 41 GLY H H 41 7.868 7.868 8.223 -0.355 17840 5037 1 16 . 1 1 42 42 VAL N N 42 120.789 120.789 122.062 -1.273 17840 5038 1 16 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.629 -0.245 17840 5039 1 16 . 1 1 42 42 VAL C C 42 176.399 176.399 174.091 2.308 17840 5040 1 16 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.206 2.261 17840 5041 1 16 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.419 -1.026 17840 5042 1 16 . 1 1 42 42 VAL H H 42 8.087 8.087 8.153 -0.066 17840 5043 1 16 . 1 1 43 43 TRP N N 43 130.892 130.892 126.976 3.916 17840 5044 1 16 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.122 0.126 17840 5045 1 16 . 1 1 43 43 TRP C C 43 176.821 176.821 176.179 0.642 17840 5046 1 16 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.366 1.660 17840 5047 1 16 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.636 -0.861 17840 5048 1 16 . 1 1 43 43 TRP H H 43 9.224 9.224 8.548 0.676 17840 5049 1 16 . 1 1 44 44 THR N N 44 114.739 114.739 116.889 -2.150 17840 5050 1 16 . 1 1 44 44 THR HA H 44 4.802 4.802 4.830 -0.028 17840 5051 1 16 . 1 1 44 44 THR C C 44 171.963 171.963 172.670 -0.707 17840 5052 1 16 . 1 1 44 44 THR CA C 44 60.996 60.996 60.634 0.362 17840 5053 1 16 . 1 1 44 44 THR CB C 44 72.649 72.649 71.608 1.041 17840 5054 1 16 . 1 1 44 44 THR H H 44 9.093 9.093 8.470 0.623 17840 5055 1 16 . 1 1 45 45 TYR N N 45 121.068 121.068 121.841 -0.773 17840 5056 1 16 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.974 0.030 17840 5057 1 16 . 1 1 45 45 TYR C C 45 173.472 173.472 174.207 -0.735 17840 5058 1 16 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.078 0.006 17840 5059 1 16 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.712 -0.478 17840 5060 1 16 . 1 1 45 45 TYR H H 45 8.474 8.474 8.601 -0.127 17840 5061 1 16 . 1 1 46 46 LYS N N 46 128.497 128.497 125.533 2.964 17840 5062 1 16 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.398 -0.065 17840 5063 1 16 . 1 1 46 46 LYS C C 46 174.847 174.847 175.217 -0.370 17840 5064 1 16 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.618 -0.646 17840 5065 1 16 . 1 1 46 46 LYS CB C 46 33.847 33.847 33.473 0.374 17840 5066 1 16 . 1 1 46 46 LYS H H 46 7.144 7.144 7.534 -0.390 17840 5067 1 16 . 1 1 47 47 ASP N N 47 126.400 126.400 125.606 0.794 17840 5068 1 16 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.327 -0.323 17840 5069 1 16 . 1 1 47 47 ASP C C 47 179.191 179.191 176.554 2.637 17840 5070 1 16 . 1 1 47 47 ASP CA C 47 57.428 57.428 55.447 1.981 17840 5071 1 16 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.095 1.193 17840 5072 1 16 . 1 1 47 47 ASP H H 47 8.513 8.513 8.755 -0.242 17840 5073 1 16 . 1 1 48 48 GLU N N 48 118.126 118.126 119.282 -1.156 17840 5074 1 16 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.088 -0.015 17840 5075 1 16 . 1 1 48 48 GLU C C 48 176.976 176.976 176.817 0.159 17840 5076 1 16 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.458 1.582 17840 5077 1 16 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.788 -1.131 17840 5078 1 16 . 1 1 48 48 GLU H H 48 9.618 9.618 8.245 1.373 17840 5079 1 16 . 1 1 49 49 ILE N N 49 105.335 105.335 117.462 -12.127 17840 5080 1 16 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.150 0.469 17840 5081 1 16 . 1 1 49 49 ILE C C 49 175.290 175.290 174.681 0.609 17840 5082 1 16 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.385 1.004 17840 5083 1 16 . 1 1 49 49 ILE CB C 49 38.341 38.341 36.118 2.223 17840 5084 1 16 . 1 1 49 49 ILE H H 49 6.187 6.187 8.114 -1.927 17840 5085 1 16 . 1 1 50 50 LYS N N 50 124.144 124.144 118.464 5.680 17840 5086 1 16 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.683 0.490 17840 5087 1 16 . 1 1 50 50 LYS C C 50 174.159 174.159 174.866 -0.707 17840 5088 1 16 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.852 -0.936 17840 5089 1 16 . 1 1 50 50 LYS CB C 50 29.349 29.349 28.603 0.746 17840 5090 1 16 . 1 1 50 50 LYS H H 50 7.659 7.659 7.667 -0.008 17840 5091 1 16 . 1 1 51 51 THR N N 51 109.166 109.166 111.591 -2.425 17840 5092 1 16 . 1 1 51 51 THR HA H 51 5.650 5.650 5.397 0.253 17840 5093 1 16 . 1 1 51 51 THR C C 51 173.405 173.405 173.192 0.213 17840 5094 1 16 . 1 1 51 51 THR CA C 51 62.262 62.262 60.363 1.899 17840 5095 1 16 . 1 1 51 51 THR CB C 51 73.271 73.271 71.672 1.599 17840 5096 1 16 . 1 1 51 51 THR H H 51 6.843 6.843 7.493 -0.650 17840 5097 1 16 . 1 1 52 52 PHE N N 52 130.917 130.917 126.412 4.505 17840 5098 1 16 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.252 0.307 17840 5099 1 16 . 1 1 52 52 PHE C C 52 173.627 173.627 175.047 -1.420 17840 5100 1 16 . 1 1 52 52 PHE CA C 52 57.270 57.270 57.231 0.039 17840 5101 1 16 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.313 -0.158 17840 5102 1 16 . 1 1 52 52 PHE H H 52 10.025 10.025 8.939 1.086 17840 5103 1 16 . 1 1 53 53 THR N N 53 117.627 117.627 113.575 4.052 17840 5104 1 16 . 1 1 53 53 THR HA H 53 5.217 5.217 4.909 0.308 17840 5105 1 16 . 1 1 53 53 THR C C 53 171.586 171.586 172.767 -1.181 17840 5106 1 16 . 1 1 53 53 THR CA C 53 61.724 61.724 60.800 0.924 17840 5107 1 16 . 1 1 53 53 THR CB C 53 70.567 70.567 72.018 -1.451 17840 5108 1 16 . 1 1 53 53 THR H H 53 8.927 8.927 9.116 -0.189 17840 5109 1 16 . 1 1 54 54 VAL N N 54 124.587 124.587 124.156 0.431 17840 5110 1 16 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.875 0.552 17840 5111 1 16 . 1 1 54 54 VAL C C 54 172.873 172.873 175.364 -2.491 17840 5112 1 16 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.678 -1.060 17840 5113 1 16 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.034 0.628 17840 5114 1 16 . 1 1 54 54 VAL H H 54 8.302 8.302 8.109 0.193 17840 5115 1 16 . 1 1 55 55 THR N N 55 124.116 124.116 124.043 0.073 17840 5116 1 16 . 1 1 55 55 THR HA H 55 4.769 4.769 5.025 -0.256 17840 5117 1 16 . 1 1 55 55 THR C C 55 173.294 173.294 174.588 -1.294 17840 5118 1 16 . 1 1 55 55 THR CA C 55 61.698 61.698 62.128 -0.430 17840 5119 1 16 . 1 1 55 55 THR CB C 55 71.382 71.382 70.445 0.938 17840 5120 1 16 . 1 1 55 55 THR H H 55 8.229 8.229 8.082 0.147 17840 5121 1 17 . 1 1 2 2 THR N N 2 123.900 123.900 118.238 5.662 17840 5122 1 17 . 1 1 2 2 THR HA H 2 4.311 4.311 4.341 -0.030 17840 5123 1 17 . 1 1 2 2 THR C C 2 172.130 172.130 173.650 -1.520 17840 5124 1 17 . 1 1 2 2 THR CA C 2 63.855 63.855 62.167 1.688 17840 5125 1 17 . 1 1 2 2 THR CB C 2 68.688 68.688 68.904 -0.216 17840 5126 1 17 . 1 1 2 2 THR H H 2 8.670 8.670 8.439 0.231 17840 5127 1 17 . 1 1 3 3 TYR N N 3 127.206 127.206 127.553 -0.347 17840 5128 1 17 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.096 0.265 17840 5129 1 17 . 1 1 3 3 TYR C C 3 173.427 173.427 174.627 -1.200 17840 5130 1 17 . 1 1 3 3 TYR CA C 3 57.953 57.953 58.057 -0.104 17840 5131 1 17 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.649 0.459 17840 5132 1 17 . 1 1 3 3 TYR H H 3 8.657 8.657 8.447 0.210 17840 5133 1 17 . 1 1 4 4 LYS N N 4 120.377 120.377 124.640 -4.263 17840 5134 1 17 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.430 -0.029 17840 5135 1 17 . 1 1 4 4 LYS C C 4 172.296 172.296 174.192 -1.896 17840 5136 1 17 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.531 0.129 17840 5137 1 17 . 1 1 4 4 LYS CB C 4 35.950 35.950 37.081 -1.131 17840 5138 1 17 . 1 1 4 4 LYS H H 4 8.599 8.599 8.453 0.146 17840 5139 1 17 . 1 1 5 5 LEU N N 5 126.484 126.484 123.230 3.254 17840 5140 1 17 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.418 -0.395 17840 5141 1 17 . 1 1 5 5 LEU C C 5 174.359 174.359 174.742 -0.383 17840 5142 1 17 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.672 -1.135 17840 5143 1 17 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.533 -2.371 17840 5144 1 17 . 1 1 5 5 LEU H H 5 8.781 8.781 8.579 0.202 17840 5145 1 17 . 1 1 6 6 ILE N N 6 126.235 126.235 123.510 2.725 17840 5146 1 17 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.864 -0.496 17840 5147 1 17 . 1 1 6 6 ILE C C 6 173.982 173.982 174.812 -0.830 17840 5148 1 17 . 1 1 6 6 ILE CA C 6 60.462 60.462 60.274 0.188 17840 5149 1 17 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.667 -0.952 17840 5150 1 17 . 1 1 6 6 ILE H H 6 8.895 8.895 8.122 0.773 17840 5151 1 17 . 1 1 7 7 LEU N N 7 125.986 125.986 128.770 -2.784 17840 5152 1 17 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.670 -0.273 17840 5153 1 17 . 1 1 7 7 LEU C C 7 173.915 173.915 175.660 -1.745 17840 5154 1 17 . 1 1 7 7 LEU CA C 7 53.629 53.629 54.114 -0.485 17840 5155 1 17 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.581 -2.269 17840 5156 1 17 . 1 1 7 7 LEU H H 7 8.627 8.627 8.235 0.392 17840 5157 1 17 . 1 1 8 8 ASN N N 8 125.244 125.244 121.421 3.823 17840 5158 1 17 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.192 -0.122 17840 5159 1 17 . 1 1 8 8 ASN C C 8 173.960 173.960 173.474 0.486 17840 5160 1 17 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.977 -1.164 17840 5161 1 17 . 1 1 8 8 ASN CB C 8 37.862 37.862 41.289 -3.428 17840 5162 1 17 . 1 1 8 8 ASN H H 8 8.762 8.762 9.119 -0.357 17840 5163 1 17 . 1 1 9 9 LEU N N 9 121.294 121.294 122.356 -1.062 17840 5164 1 17 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.930 -0.297 17840 5165 1 17 . 1 1 9 9 LEU C C 9 176.821 176.821 176.920 -0.099 17840 5166 1 17 . 1 1 9 9 LEU CA C 9 53.418 53.418 53.398 0.020 17840 5167 1 17 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.466 -1.044 17840 5168 1 17 . 1 1 9 9 LEU H H 9 7.409 7.409 9.011 -1.602 17840 5169 1 17 . 1 1 10 10 LYS N N 10 120.567 120.567 122.514 -1.947 17840 5170 1 17 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.868 0.068 17840 5171 1 17 . 1 1 10 10 LYS C C 10 179.217 179.217 176.636 2.581 17840 5172 1 17 . 1 1 10 10 LYS CA C 10 59.712 59.712 59.314 0.398 17840 5173 1 17 . 1 1 10 10 LYS CB C 10 31.806 31.806 30.821 0.985 17840 5174 1 17 . 1 1 10 10 LYS H H 10 8.935 8.935 9.062 -0.127 17840 5175 1 17 . 1 1 11 11 GLN N N 11 112.875 112.875 119.177 -6.302 17840 5176 1 17 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.376 -0.065 17840 5177 1 17 . 1 1 11 11 GLN C C 11 174.891 174.891 175.790 -0.899 17840 5178 1 17 . 1 1 11 11 GLN CA C 11 55.966 55.966 55.954 0.012 17840 5179 1 17 . 1 1 11 11 GLN CB C 11 29.158 29.158 31.328 -2.170 17840 5180 1 17 . 1 1 11 11 GLN H H 11 8.296 8.296 8.439 -0.143 17840 5181 1 17 . 1 1 12 12 ALA N N 12 119.661 119.661 124.653 -4.992 17840 5182 1 17 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.293 0.032 17840 5183 1 17 . 1 1 12 12 ALA C C 12 173.760 173.760 175.674 -1.914 17840 5184 1 17 . 1 1 12 12 ALA CA C 12 52.509 52.509 52.712 -0.203 17840 5185 1 17 . 1 1 12 12 ALA CB C 12 21.412 21.412 19.673 1.739 17840 5186 1 17 . 1 1 12 12 ALA H H 12 6.849 6.849 7.861 -1.012 17840 5187 1 17 . 1 1 13 13 LYS N N 13 119.342 119.342 123.264 -3.922 17840 5188 1 17 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.193 0.078 17840 5189 1 17 . 1 1 13 13 LYS C C 13 175.801 175.801 175.452 0.349 17840 5190 1 17 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.053 0.082 17840 5191 1 17 . 1 1 13 13 LYS CB C 13 33.692 33.692 35.940 -2.248 17840 5192 1 17 . 1 1 13 13 LYS H H 13 8.050 8.050 8.270 -0.220 17840 5193 1 17 . 1 1 14 14 GLU N N 14 123.266 123.266 123.752 -0.486 17840 5194 1 17 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.558 0.181 17840 5195 1 17 . 1 1 14 14 GLU C C 14 173.316 173.316 175.082 -1.766 17840 5196 1 17 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.076 -0.234 17840 5197 1 17 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.480 1.880 17840 5198 1 17 . 1 1 14 14 GLU H H 14 8.327 8.327 9.068 -0.741 17840 5199 1 17 . 1 1 15 15 GLU N N 15 119.898 119.898 120.475 -0.577 17840 5200 1 17 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.421 0.088 17840 5201 1 17 . 1 1 15 15 GLU C C 15 174.270 174.270 175.006 -0.736 17840 5202 1 17 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.770 -1.115 17840 5203 1 17 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.879 1.152 17840 5204 1 17 . 1 1 15 15 GLU H H 15 8.386 8.386 8.556 -0.170 17840 5205 1 17 . 1 1 16 16 ALA N N 16 125.415 125.415 125.948 -0.533 17840 5206 1 17 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.857 0.017 17840 5207 1 17 . 1 1 16 16 ALA C C 16 174.403 174.403 174.854 -0.451 17840 5208 1 17 . 1 1 16 16 ALA CA C 16 51.364 51.364 52.004 -0.640 17840 5209 1 17 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.884 0.612 17840 5210 1 17 . 1 1 16 16 ALA H H 16 8.911 8.911 8.324 0.587 17840 5211 1 17 . 1 1 17 17 ILE N N 17 117.476 117.476 115.901 1.575 17840 5212 1 17 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.619 -0.151 17840 5213 1 17 . 1 1 17 17 ILE C C 17 175.712 175.712 174.862 0.850 17840 5214 1 17 . 1 1 17 17 ILE CA C 17 59.873 59.873 59.992 -0.118 17840 5215 1 17 . 1 1 17 17 ILE CB C 17 42.163 42.163 41.739 0.424 17840 5216 1 17 . 1 1 17 17 ILE H H 17 8.329 8.329 8.367 -0.038 17840 5217 1 17 . 1 1 18 18 LYS N N 18 125.884 125.884 124.336 1.548 17840 5218 1 17 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.670 -0.250 17840 5219 1 17 . 1 1 18 18 LYS C C 18 172.873 172.873 175.164 -2.291 17840 5220 1 17 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.462 -0.342 17840 5221 1 17 . 1 1 18 18 LYS CB C 18 37.230 37.230 34.805 2.425 17840 5222 1 17 . 1 1 18 18 LYS H H 18 9.050 9.050 9.259 -0.209 17840 5223 1 17 . 1 1 19 19 GLU N N 19 128.105 128.105 128.571 -0.466 17840 5224 1 17 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.805 0.168 17840 5225 1 17 . 1 1 19 19 GLU C C 19 175.135 175.135 175.331 -0.196 17840 5226 1 17 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.601 -0.201 17840 5227 1 17 . 1 1 19 19 GLU CB C 19 29.316 29.316 30.039 -0.723 17840 5228 1 17 . 1 1 19 19 GLU H H 19 8.241 8.241 8.763 -0.522 17840 5229 1 17 . 1 1 20 20 LEU N N 20 127.206 127.206 127.023 0.183 17840 5230 1 17 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.696 -0.481 17840 5231 1 17 . 1 1 20 20 LEU C C 20 177.531 177.531 177.057 0.474 17840 5232 1 17 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.292 -0.086 17840 5233 1 17 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.240 2.444 17840 5234 1 17 . 1 1 20 20 LEU H H 20 8.563 8.563 8.322 0.241 17840 5235 1 17 . 1 1 21 21 VAL N N 21 116.204 116.204 119.425 -3.221 17840 5236 1 17 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.918 0.096 17840 5237 1 17 . 1 1 21 21 VAL C C 21 175.002 175.002 175.478 -0.476 17840 5238 1 17 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.583 0.751 17840 5239 1 17 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.686 -0.759 17840 5240 1 17 . 1 1 21 21 VAL H H 21 8.094 8.094 8.452 -0.358 17840 5241 1 17 . 1 1 22 22 ASP N N 22 114.375 114.375 117.037 -2.662 17840 5242 1 17 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.835 0.003 17840 5243 1 17 . 1 1 22 22 ASP C C 22 174.536 174.536 174.773 -0.237 17840 5244 1 17 . 1 1 22 22 ASP CA C 22 53.147 53.147 52.969 0.178 17840 5245 1 17 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.584 -0.892 17840 5246 1 17 . 1 1 22 22 ASP H H 22 6.862 6.862 8.000 -1.138 17840 5247 1 17 . 1 1 23 23 ALA N N 23 121.084 121.084 120.006 1.078 17840 5248 1 17 . 1 1 23 23 ALA HA H 23 3.000 3.000 5.003 -2.003 17840 5249 1 17 . 1 1 23 23 ALA C C 23 180.082 180.082 178.723 1.359 17840 5250 1 17 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.943 1.900 17840 5251 1 17 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.755 -2.135 17840 5252 1 17 . 1 1 23 23 ALA H H 23 8.389 8.389 8.423 -0.034 17840 5253 1 17 . 1 1 24 24 GLY N N 24 108.035 108.035 108.653 -0.618 17840 5254 1 17 . 1 1 24 24 GLY C C 24 176.910 176.910 175.678 1.232 17840 5255 1 17 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.931 0.102 17840 5256 1 17 . 1 1 24 24 GLY H H 24 8.391 8.391 8.391 -0.000 17840 5257 1 17 . 1 1 25 25 THR N N 25 120.237 120.237 115.803 4.434 17840 5258 1 17 . 1 1 25 25 THR HA H 25 4.000 4.000 4.172 -0.172 17840 5259 1 17 . 1 1 25 25 THR C C 25 176.555 176.555 176.703 -0.148 17840 5260 1 17 . 1 1 25 25 THR CA C 25 66.900 66.900 65.218 1.683 17840 5261 1 17 . 1 1 25 25 THR CB C 25 68.095 68.095 68.716 -0.621 17840 5262 1 17 . 1 1 25 25 THR H H 25 8.071 8.071 8.197 -0.126 17840 5263 1 17 . 1 1 26 26 ALA N N 26 124.685 124.685 122.776 1.909 17840 5264 1 17 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.222 -0.761 17840 5265 1 17 . 1 1 26 26 ALA C C 26 175.734 175.734 179.014 -3.280 17840 5266 1 17 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.541 -1.698 17840 5267 1 17 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.191 -0.788 17840 5268 1 17 . 1 1 26 26 ALA H H 26 7.444 7.444 8.181 -0.737 17840 5269 1 17 . 1 1 27 27 GLU N N 27 119.278 119.278 118.697 0.581 17840 5270 1 17 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.064 -1.267 17840 5271 1 17 . 1 1 27 27 GLU C C 27 177.131 177.131 178.864 -1.733 17840 5272 1 17 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.081 1.056 17840 5273 1 17 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.282 -0.055 17840 5274 1 17 . 1 1 27 27 GLU H H 27 8.121 8.121 7.691 0.430 17840 5275 1 17 . 1 1 28 28 LYS N N 28 115.377 115.377 120.272 -4.895 17840 5276 1 17 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.097 -0.457 17840 5277 1 17 . 1 1 28 28 LYS C C 28 178.640 178.640 178.796 -0.156 17840 5278 1 17 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.228 0.623 17840 5279 1 17 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.683 -0.277 17840 5280 1 17 . 1 1 28 28 LYS H H 28 6.847 6.847 8.380 -1.533 17840 5281 1 17 . 1 1 29 29 TYR N N 29 119.713 119.713 120.512 -0.799 17840 5282 1 17 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.072 0.037 17840 5283 1 17 . 1 1 29 29 TYR C C 29 177.619 177.619 178.005 -0.386 17840 5284 1 17 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.027 -0.754 17840 5285 1 17 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.425 -0.452 17840 5286 1 17 . 1 1 29 29 TYR H H 29 7.358 7.358 7.749 -0.391 17840 5287 1 17 . 1 1 30 30 PHE N N 30 117.565 117.565 117.152 0.413 17840 5288 1 17 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.214 0.293 17840 5289 1 17 . 1 1 30 30 PHE C C 30 178.507 178.507 177.931 0.576 17840 5290 1 17 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.985 -3.423 17840 5291 1 17 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.635 -1.012 17840 5292 1 17 . 1 1 30 30 PHE H H 30 8.601 8.601 7.953 0.648 17840 5293 1 17 . 1 1 31 31 LYS N N 31 121.534 121.534 120.385 1.149 17840 5294 1 17 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.207 -0.189 17840 5295 1 17 . 1 1 31 31 LYS C C 31 178.751 178.751 179.098 -0.347 17840 5296 1 17 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.474 0.485 17840 5297 1 17 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.175 -0.471 17840 5298 1 17 . 1 1 31 31 LYS H H 31 8.310 8.310 7.520 0.790 17840 5299 1 17 . 1 1 32 32 LEU N N 32 118.368 118.368 121.016 -2.648 17840 5300 1 17 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.971 0.155 17840 5301 1 17 . 1 1 32 32 LEU C C 32 180.636 180.636 178.610 2.026 17840 5302 1 17 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.415 -0.325 17840 5303 1 17 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.008 -0.711 17840 5304 1 17 . 1 1 32 32 LEU H H 32 6.890 6.890 7.880 -0.990 17840 5305 1 17 . 1 1 33 33 ILE N N 33 118.866 118.866 119.546 -0.680 17840 5306 1 17 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.589 0.108 17840 5307 1 17 . 1 1 33 33 ILE C C 33 178.485 178.485 177.227 1.258 17840 5308 1 17 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.872 0.012 17840 5309 1 17 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.809 -0.295 17840 5310 1 17 . 1 1 33 33 ILE H H 33 6.985 6.985 7.698 -0.713 17840 5311 1 17 . 1 1 34 34 ALA N N 34 121.160 121.160 120.670 0.490 17840 5312 1 17 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.970 -0.031 17840 5313 1 17 . 1 1 34 34 ALA C C 34 179.372 179.372 179.523 -0.151 17840 5314 1 17 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.332 -0.099 17840 5315 1 17 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.174 0.500 17840 5316 1 17 . 1 1 34 34 ALA H H 34 8.312 8.312 8.099 0.213 17840 5317 1 17 . 1 1 35 35 ASN N N 35 116.166 116.166 115.589 0.577 17840 5318 1 17 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.657 -0.071 17840 5319 1 17 . 1 1 35 35 ASN C C 35 173.871 173.871 175.919 -2.048 17840 5320 1 17 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.099 0.596 17840 5321 1 17 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.303 -0.172 17840 5322 1 17 . 1 1 35 35 ASN H H 35 8.222 8.222 8.007 0.215 17840 5323 1 17 . 1 1 36 36 ALA N N 36 121.269 121.269 121.297 -0.028 17840 5324 1 17 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.401 -0.121 17840 5325 1 17 . 1 1 36 36 ALA C C 36 178.507 178.507 178.475 0.032 17840 5326 1 17 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.270 0.813 17840 5327 1 17 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.264 -0.353 17840 5328 1 17 . 1 1 36 36 ALA H H 36 7.397 7.397 7.483 -0.086 17840 5329 1 17 . 1 1 37 37 LYS N N 37 116.114 116.114 119.108 -2.994 17840 5330 1 17 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.251 0.055 17840 5331 1 17 . 1 1 37 37 LYS C C 37 175.401 175.401 176.870 -1.469 17840 5332 1 17 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.813 -1.550 17840 5333 1 17 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.475 0.456 17840 5334 1 17 . 1 1 37 37 LYS H H 37 7.371 7.371 8.444 -1.073 17840 5335 1 17 . 1 1 38 38 THR N N 38 113.187 113.187 110.531 2.656 17840 5336 1 17 . 1 1 38 38 THR HA H 38 4.300 4.300 4.490 -0.190 17840 5337 1 17 . 1 1 38 38 THR C C 38 173.139 173.139 172.209 0.930 17840 5338 1 17 . 1 1 38 38 THR CA C 38 61.530 61.530 61.767 -0.237 17840 5339 1 17 . 1 1 38 38 THR CB C 38 69.468 69.468 70.545 -1.077 17840 5340 1 17 . 1 1 38 38 THR H H 38 7.812 7.812 7.825 -0.013 17840 5341 1 17 . 1 1 39 39 VAL N N 39 122.490 122.490 123.727 -1.237 17840 5342 1 17 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.273 -0.021 17840 5343 1 17 . 1 1 39 39 VAL C C 39 174.869 174.869 173.635 1.234 17840 5344 1 17 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.882 -0.372 17840 5345 1 17 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.380 -0.719 17840 5346 1 17 . 1 1 39 39 VAL H H 39 8.091 8.091 8.297 -0.206 17840 5347 1 17 . 1 1 40 40 GLU N N 40 124.998 124.998 127.493 -2.495 17840 5348 1 17 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.510 0.034 17840 5349 1 17 . 1 1 40 40 GLU C C 40 174.913 174.913 175.216 -0.303 17840 5350 1 17 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.696 -1.299 17840 5351 1 17 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.228 0.269 17840 5352 1 17 . 1 1 40 40 GLU H H 40 8.479 8.479 8.795 -0.316 17840 5353 1 17 . 1 1 41 41 GLY N N 41 107.295 107.295 107.713 -0.418 17840 5354 1 17 . 1 1 41 41 GLY C C 41 174.558 174.558 173.044 1.514 17840 5355 1 17 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.071 0.230 17840 5356 1 17 . 1 1 41 41 GLY H H 41 7.868 7.868 8.013 -0.145 17840 5357 1 17 . 1 1 42 42 VAL N N 42 120.789 120.789 121.384 -0.595 17840 5358 1 17 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.516 -0.132 17840 5359 1 17 . 1 1 42 42 VAL C C 42 176.399 176.399 174.646 1.753 17840 5360 1 17 . 1 1 42 42 VAL CA C 42 62.467 62.467 61.067 1.400 17840 5361 1 17 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.029 -0.636 17840 5362 1 17 . 1 1 42 42 VAL H H 42 8.087 8.087 7.832 0.255 17840 5363 1 17 . 1 1 43 43 TRP N N 43 130.892 130.892 127.713 3.179 17840 5364 1 17 . 1 1 43 43 TRP HA H 43 5.248 5.248 4.840 0.408 17840 5365 1 17 . 1 1 43 43 TRP C C 43 176.821 176.821 176.044 0.777 17840 5366 1 17 . 1 1 43 43 TRP CA C 43 58.026 58.026 57.470 0.556 17840 5367 1 17 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.875 -1.100 17840 5368 1 17 . 1 1 43 43 TRP H H 43 9.224 9.224 8.543 0.681 17840 5369 1 17 . 1 1 44 44 THR N N 44 114.739 114.739 117.372 -2.633 17840 5370 1 17 . 1 1 44 44 THR HA H 44 4.802 4.802 4.835 -0.033 17840 5371 1 17 . 1 1 44 44 THR C C 44 171.963 171.963 172.189 -0.226 17840 5372 1 17 . 1 1 44 44 THR CA C 44 60.996 60.996 60.934 0.062 17840 5373 1 17 . 1 1 44 44 THR CB C 44 72.649 72.649 71.300 1.349 17840 5374 1 17 . 1 1 44 44 THR H H 44 9.093 9.093 9.254 -0.161 17840 5375 1 17 . 1 1 45 45 TYR N N 45 121.068 121.068 125.876 -4.808 17840 5376 1 17 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.013 -0.009 17840 5377 1 17 . 1 1 45 45 TYR C C 45 173.472 173.472 173.746 -0.274 17840 5378 1 17 . 1 1 45 45 TYR CA C 45 57.084 57.084 56.931 0.152 17840 5379 1 17 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.529 -0.295 17840 5380 1 17 . 1 1 45 45 TYR H H 45 8.474 8.474 8.656 -0.182 17840 5381 1 17 . 1 1 46 46 LYS N N 46 128.497 128.497 125.161 3.336 17840 5382 1 17 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.455 -0.122 17840 5383 1 17 . 1 1 46 46 LYS C C 46 174.847 174.847 174.639 0.208 17840 5384 1 17 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.396 -0.424 17840 5385 1 17 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.610 -0.763 17840 5386 1 17 . 1 1 46 46 LYS H H 46 7.144 7.144 8.391 -1.247 17840 5387 1 17 . 1 1 47 47 ASP N N 47 126.400 126.400 121.021 5.379 17840 5388 1 17 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.536 -0.532 17840 5389 1 17 . 1 1 47 47 ASP C C 47 179.191 179.191 175.831 3.360 17840 5390 1 17 . 1 1 47 47 ASP CA C 47 57.428 57.428 53.661 3.767 17840 5391 1 17 . 1 1 47 47 ASP CB C 47 42.288 42.288 41.007 1.281 17840 5392 1 17 . 1 1 47 47 ASP H H 47 8.513 8.513 8.530 -0.017 17840 5393 1 17 . 1 1 48 48 GLU N N 48 118.126 118.126 121.330 -3.204 17840 5394 1 17 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.237 -0.164 17840 5395 1 17 . 1 1 48 48 GLU C C 48 176.976 176.976 175.786 1.190 17840 5396 1 17 . 1 1 48 48 GLU CA C 48 60.040 60.040 55.490 4.550 17840 5397 1 17 . 1 1 48 48 GLU CB C 48 28.657 28.657 27.444 1.213 17840 5398 1 17 . 1 1 48 48 GLU H H 48 9.618 9.618 8.209 1.409 17840 5399 1 17 . 1 1 49 49 ILE N N 49 105.335 105.335 118.050 -12.715 17840 5400 1 17 . 1 1 49 49 ILE HA H 49 4.619 4.619 3.630 0.989 17840 5401 1 17 . 1 1 49 49 ILE C C 49 175.290 175.290 174.304 0.986 17840 5402 1 17 . 1 1 49 49 ILE CA C 49 60.389 60.389 61.024 -0.635 17840 5403 1 17 . 1 1 49 49 ILE CB C 49 38.341 38.341 34.811 3.530 17840 5404 1 17 . 1 1 49 49 ILE H H 49 6.187 6.187 8.224 -2.037 17840 5405 1 17 . 1 1 50 50 LYS N N 50 124.144 124.144 117.131 7.013 17840 5406 1 17 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.701 0.472 17840 5407 1 17 . 1 1 50 50 LYS C C 50 174.159 174.159 174.660 -0.501 17840 5408 1 17 . 1 1 50 50 LYS CA C 50 55.916 55.916 57.081 -1.165 17840 5409 1 17 . 1 1 50 50 LYS CB C 50 29.349 29.349 30.236 -0.887 17840 5410 1 17 . 1 1 50 50 LYS H H 50 7.659 7.659 8.485 -0.826 17840 5411 1 17 . 1 1 51 51 THR N N 51 109.166 109.166 118.091 -8.925 17840 5412 1 17 . 1 1 51 51 THR HA H 51 5.650 5.650 5.026 0.624 17840 5413 1 17 . 1 1 51 51 THR C C 51 173.405 173.405 172.703 0.702 17840 5414 1 17 . 1 1 51 51 THR CA C 51 62.262 62.262 61.712 0.550 17840 5415 1 17 . 1 1 51 51 THR CB C 51 73.271 73.271 70.488 2.783 17840 5416 1 17 . 1 1 51 51 THR H H 51 6.843 6.843 7.260 -0.417 17840 5417 1 17 . 1 1 52 52 PHE N N 52 130.917 130.917 127.307 3.610 17840 5418 1 17 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.883 0.676 17840 5419 1 17 . 1 1 52 52 PHE C C 52 173.627 173.627 174.579 -0.952 17840 5420 1 17 . 1 1 52 52 PHE CA C 52 57.270 57.270 57.888 -0.618 17840 5421 1 17 . 1 1 52 52 PHE CB C 52 42.155 42.155 41.620 0.535 17840 5422 1 17 . 1 1 52 52 PHE H H 52 10.025 10.025 8.526 1.499 17840 5423 1 17 . 1 1 53 53 THR N N 53 117.627 117.627 112.445 5.182 17840 5424 1 17 . 1 1 53 53 THR HA H 53 5.217 5.217 4.730 0.487 17840 5425 1 17 . 1 1 53 53 THR C C 53 171.586 171.586 172.567 -0.981 17840 5426 1 17 . 1 1 53 53 THR CA C 53 61.724 61.724 60.933 0.791 17840 5427 1 17 . 1 1 53 53 THR CB C 53 70.567 70.567 71.456 -0.889 17840 5428 1 17 . 1 1 53 53 THR H H 53 8.927 8.927 9.414 -0.487 17840 5429 1 17 . 1 1 54 54 VAL N N 54 124.587 124.587 124.213 0.374 17840 5430 1 17 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.903 0.524 17840 5431 1 17 . 1 1 54 54 VAL C C 54 172.873 172.873 174.946 -2.073 17840 5432 1 17 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.815 -1.196 17840 5433 1 17 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.323 0.339 17840 5434 1 17 . 1 1 54 54 VAL H H 54 8.302 8.302 8.122 0.180 17840 5435 1 17 . 1 1 55 55 THR N N 55 124.116 124.116 124.386 -0.270 17840 5436 1 17 . 1 1 55 55 THR HA H 55 4.769 4.769 5.194 -0.425 17840 5437 1 17 . 1 1 55 55 THR C C 55 173.294 173.294 173.513 -0.219 17840 5438 1 17 . 1 1 55 55 THR CA C 55 61.698 61.698 60.809 0.890 17840 5439 1 17 . 1 1 55 55 THR CB C 55 71.382 71.382 70.636 0.746 17840 5440 1 17 . 1 1 55 55 THR H H 55 8.229 8.229 8.164 0.065 17840 5441 1 18 . 1 1 2 2 THR N N 2 123.900 123.900 116.420 7.480 17840 5442 1 18 . 1 1 2 2 THR HA H 2 4.311 4.311 4.462 -0.151 17840 5443 1 18 . 1 1 2 2 THR C C 2 172.130 172.130 173.389 -1.259 17840 5444 1 18 . 1 1 2 2 THR CA C 2 63.855 63.855 63.226 0.629 17840 5445 1 18 . 1 1 2 2 THR CB C 2 68.688 68.688 69.146 -0.458 17840 5446 1 18 . 1 1 2 2 THR H H 2 8.670 8.670 8.266 0.404 17840 5447 1 18 . 1 1 3 3 TYR N N 3 127.206 127.206 128.752 -1.546 17840 5448 1 18 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.200 0.161 17840 5449 1 18 . 1 1 3 3 TYR C C 3 173.427 173.427 174.272 -0.845 17840 5450 1 18 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.736 0.217 17840 5451 1 18 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.167 0.941 17840 5452 1 18 . 1 1 3 3 TYR H H 3 8.657 8.657 8.638 0.019 17840 5453 1 18 . 1 1 4 4 LYS N N 4 120.377 120.377 124.584 -4.207 17840 5454 1 18 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.498 -0.097 17840 5455 1 18 . 1 1 4 4 LYS C C 4 172.296 172.296 174.561 -2.265 17840 5456 1 18 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.210 0.450 17840 5457 1 18 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.688 -0.738 17840 5458 1 18 . 1 1 4 4 LYS H H 4 8.599 8.599 8.339 0.260 17840 5459 1 18 . 1 1 5 5 LEU N N 5 126.484 126.484 121.378 5.106 17840 5460 1 18 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.369 -0.346 17840 5461 1 18 . 1 1 5 5 LEU C C 5 174.359 174.359 174.983 -0.624 17840 5462 1 18 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.678 -1.141 17840 5463 1 18 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.755 -2.592 17840 5464 1 18 . 1 1 5 5 LEU H H 5 8.781 8.781 8.005 0.776 17840 5465 1 18 . 1 1 6 6 ILE N N 6 126.235 126.235 122.883 3.352 17840 5466 1 18 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.887 -0.519 17840 5467 1 18 . 1 1 6 6 ILE C C 6 173.982 173.982 174.568 -0.586 17840 5468 1 18 . 1 1 6 6 ILE CA C 6 60.462 60.462 60.317 0.145 17840 5469 1 18 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.728 -1.012 17840 5470 1 18 . 1 1 6 6 ILE H H 6 8.895 8.895 8.098 0.797 17840 5471 1 18 . 1 1 7 7 LEU N N 7 125.986 125.986 127.403 -1.417 17840 5472 1 18 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.767 -0.370 17840 5473 1 18 . 1 1 7 7 LEU C C 7 173.915 173.915 175.835 -1.920 17840 5474 1 18 . 1 1 7 7 LEU CA C 7 53.629 53.629 52.782 0.847 17840 5475 1 18 . 1 1 7 7 LEU CB C 7 41.312 41.312 42.000 -0.688 17840 5476 1 18 . 1 1 7 7 LEU H H 7 8.627 8.627 7.560 1.067 17840 5477 1 18 . 1 1 8 8 ASN N N 8 125.244 125.244 121.829 3.415 17840 5478 1 18 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.322 -0.252 17840 5479 1 18 . 1 1 8 8 ASN C C 8 173.960 173.960 174.452 -0.492 17840 5480 1 18 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.658 -0.845 17840 5481 1 18 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.255 -2.393 17840 5482 1 18 . 1 1 8 8 ASN H H 8 8.762 8.762 8.640 0.122 17840 5483 1 18 . 1 1 9 9 LEU N N 9 121.294 121.294 121.490 -0.196 17840 5484 1 18 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.548 0.085 17840 5485 1 18 . 1 1 9 9 LEU C C 9 176.821 176.821 177.677 -0.856 17840 5486 1 18 . 1 1 9 9 LEU CA C 9 53.418 53.418 55.144 -1.726 17840 5487 1 18 . 1 1 9 9 LEU CB C 9 41.422 41.422 42.086 -0.664 17840 5488 1 18 . 1 1 9 9 LEU H H 9 7.409 7.409 7.648 -0.239 17840 5489 1 18 . 1 1 10 10 LYS N N 10 120.567 120.567 119.341 1.226 17840 5490 1 18 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.041 -0.105 17840 5491 1 18 . 1 1 10 10 LYS C C 10 179.217 179.217 178.162 1.055 17840 5492 1 18 . 1 1 10 10 LYS CA C 10 59.712 59.712 58.901 0.811 17840 5493 1 18 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.395 -0.589 17840 5494 1 18 . 1 1 10 10 LYS H H 10 8.935 8.935 8.212 0.723 17840 5495 1 18 . 1 1 11 11 GLN N N 11 112.875 112.875 115.761 -2.886 17840 5496 1 18 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.331 -0.020 17840 5497 1 18 . 1 1 11 11 GLN C C 11 174.891 174.891 175.332 -0.441 17840 5498 1 18 . 1 1 11 11 GLN CA C 11 55.966 55.966 55.879 0.087 17840 5499 1 18 . 1 1 11 11 GLN CB C 11 29.158 29.158 30.024 -0.866 17840 5500 1 18 . 1 1 11 11 GLN H H 11 8.296 8.296 8.038 0.258 17840 5501 1 18 . 1 1 12 12 ALA N N 12 119.661 119.661 123.345 -3.684 17840 5502 1 18 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.464 -0.139 17840 5503 1 18 . 1 1 12 12 ALA C C 12 173.760 173.760 175.911 -2.151 17840 5504 1 18 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.525 0.984 17840 5505 1 18 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.300 1.112 17840 5506 1 18 . 1 1 12 12 ALA H H 12 6.849 6.849 7.832 -0.983 17840 5507 1 18 . 1 1 13 13 LYS N N 13 119.342 119.342 118.298 1.044 17840 5508 1 18 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.581 0.690 17840 5509 1 18 . 1 1 13 13 LYS C C 13 175.801 175.801 175.462 0.339 17840 5510 1 18 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.329 -0.194 17840 5511 1 18 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.734 -0.042 17840 5512 1 18 . 1 1 13 13 LYS H H 13 8.050 8.050 8.259 -0.209 17840 5513 1 18 . 1 1 14 14 GLU N N 14 123.266 123.266 121.006 2.260 17840 5514 1 18 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.583 0.156 17840 5515 1 18 . 1 1 14 14 GLU C C 14 173.316 173.316 174.728 -1.412 17840 5516 1 18 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.237 -0.395 17840 5517 1 18 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.818 1.542 17840 5518 1 18 . 1 1 14 14 GLU H H 14 8.327 8.327 8.963 -0.636 17840 5519 1 18 . 1 1 15 15 GLU N N 15 119.898 119.898 119.290 0.608 17840 5520 1 18 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.555 -0.046 17840 5521 1 18 . 1 1 15 15 GLU C C 15 174.270 174.270 175.379 -1.109 17840 5522 1 18 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.298 -0.643 17840 5523 1 18 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.271 0.760 17840 5524 1 18 . 1 1 15 15 GLU H H 15 8.386 8.386 8.563 -0.177 17840 5525 1 18 . 1 1 16 16 ALA N N 16 125.415 125.415 125.075 0.340 17840 5526 1 18 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.812 0.062 17840 5527 1 18 . 1 1 16 16 ALA C C 16 174.403 174.403 175.389 -0.986 17840 5528 1 18 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.963 -0.599 17840 5529 1 18 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.409 1.087 17840 5530 1 18 . 1 1 16 16 ALA H H 16 8.911 8.911 8.294 0.617 17840 5531 1 18 . 1 1 17 17 ILE N N 17 117.476 117.476 119.989 -2.513 17840 5532 1 18 . 1 1 17 17 ILE HA H 17 5.468 5.468 4.780 0.688 17840 5533 1 18 . 1 1 17 17 ILE C C 17 175.712 175.712 174.996 0.716 17840 5534 1 18 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.594 -0.721 17840 5535 1 18 . 1 1 17 17 ILE CB C 17 42.163 42.163 39.255 2.908 17840 5536 1 18 . 1 1 17 17 ILE H H 17 8.329 8.329 8.407 -0.078 17840 5537 1 18 . 1 1 18 18 LYS N N 18 125.884 125.884 128.847 -2.963 17840 5538 1 18 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.602 -0.182 17840 5539 1 18 . 1 1 18 18 LYS C C 18 172.873 172.873 174.757 -1.884 17840 5540 1 18 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.469 -0.350 17840 5541 1 18 . 1 1 18 18 LYS CB C 18 37.230 37.230 34.926 2.304 17840 5542 1 18 . 1 1 18 18 LYS H H 18 9.050 9.050 9.201 -0.151 17840 5543 1 18 . 1 1 19 19 GLU N N 19 128.105 128.105 125.715 2.390 17840 5544 1 18 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.052 -0.079 17840 5545 1 18 . 1 1 19 19 GLU C C 19 175.135 175.135 174.685 0.450 17840 5546 1 18 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.362 0.038 17840 5547 1 18 . 1 1 19 19 GLU CB C 19 29.316 29.316 30.421 -1.105 17840 5548 1 18 . 1 1 19 19 GLU H H 19 8.241 8.241 8.628 -0.387 17840 5549 1 18 . 1 1 20 20 LEU N N 20 127.206 127.206 126.493 0.713 17840 5550 1 18 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.580 -0.365 17840 5551 1 18 . 1 1 20 20 LEU C C 20 177.531 177.531 176.892 0.639 17840 5552 1 18 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.130 -0.924 17840 5553 1 18 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.138 1.546 17840 5554 1 18 . 1 1 20 20 LEU H H 20 8.563 8.563 8.322 0.241 17840 5555 1 18 . 1 1 21 21 VAL N N 21 116.204 116.204 117.330 -1.126 17840 5556 1 18 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.310 -0.296 17840 5557 1 18 . 1 1 21 21 VAL C C 21 175.002 175.002 174.616 0.386 17840 5558 1 18 . 1 1 21 21 VAL CA C 21 65.334 65.334 62.499 2.835 17840 5559 1 18 . 1 1 21 21 VAL CB C 21 31.927 31.927 31.439 0.488 17840 5560 1 18 . 1 1 21 21 VAL H H 21 8.094 8.094 8.308 -0.214 17840 5561 1 18 . 1 1 22 22 ASP N N 22 114.375 114.375 119.696 -5.321 17840 5562 1 18 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.659 0.179 17840 5563 1 18 . 1 1 22 22 ASP C C 22 174.536 174.536 175.577 -1.041 17840 5564 1 18 . 1 1 22 22 ASP CA C 22 53.147 53.147 54.560 -1.413 17840 5565 1 18 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.882 -1.190 17840 5566 1 18 . 1 1 22 22 ASP H H 22 6.862 6.862 7.490 -0.628 17840 5567 1 18 . 1 1 23 23 ALA N N 23 121.084 121.084 126.606 -5.522 17840 5568 1 18 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.633 -1.633 17840 5569 1 18 . 1 1 23 23 ALA C C 23 180.082 180.082 178.379 1.703 17840 5570 1 18 . 1 1 23 23 ALA CA C 23 54.843 54.843 54.230 0.613 17840 5571 1 18 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.595 -1.975 17840 5572 1 18 . 1 1 23 23 ALA H H 23 8.389 8.389 8.699 -0.310 17840 5573 1 18 . 1 1 24 24 GLY N N 24 108.035 108.035 107.509 0.526 17840 5574 1 18 . 1 1 24 24 GLY C C 24 176.910 176.910 175.204 1.706 17840 5575 1 18 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.817 0.216 17840 5576 1 18 . 1 1 24 24 GLY H H 24 8.391 8.391 8.275 0.116 17840 5577 1 18 . 1 1 25 25 THR N N 25 120.237 120.237 119.478 0.759 17840 5578 1 18 . 1 1 25 25 THR HA H 25 4.000 4.000 4.015 -0.015 17840 5579 1 18 . 1 1 25 25 THR C C 25 176.555 176.555 176.431 0.124 17840 5580 1 18 . 1 1 25 25 THR CA C 25 66.900 66.900 66.295 0.605 17840 5581 1 18 . 1 1 25 25 THR CB C 25 68.095 68.095 68.594 -0.499 17840 5582 1 18 . 1 1 25 25 THR H H 25 8.071 8.071 8.092 -0.021 17840 5583 1 18 . 1 1 26 26 ALA N N 26 124.685 124.685 122.715 1.970 17840 5584 1 18 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.093 -0.632 17840 5585 1 18 . 1 1 26 26 ALA C C 26 175.734 175.734 178.668 -2.934 17840 5586 1 18 . 1 1 26 26 ALA CA C 26 52.843 52.843 55.245 -2.402 17840 5587 1 18 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.406 -1.004 17840 5588 1 18 . 1 1 26 26 ALA H H 26 7.444 7.444 7.846 -0.402 17840 5589 1 18 . 1 1 27 27 GLU N N 27 119.278 119.278 118.346 0.932 17840 5590 1 18 . 1 1 27 27 GLU HA H 27 2.797 2.797 3.932 -1.135 17840 5591 1 18 . 1 1 27 27 GLU C C 27 177.131 177.131 178.877 -1.746 17840 5592 1 18 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.157 0.980 17840 5593 1 18 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.023 0.204 17840 5594 1 18 . 1 1 27 27 GLU H H 27 8.121 8.121 7.681 0.440 17840 5595 1 18 . 1 1 28 28 LYS N N 28 115.377 115.377 120.489 -5.112 17840 5596 1 18 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.080 -0.440 17840 5597 1 18 . 1 1 28 28 LYS C C 28 178.640 178.640 178.796 -0.156 17840 5598 1 18 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.171 0.680 17840 5599 1 18 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.653 -0.247 17840 5600 1 18 . 1 1 28 28 LYS H H 28 6.847 6.847 7.611 -0.764 17840 5601 1 18 . 1 1 29 29 TYR N N 29 119.713 119.713 120.887 -1.174 17840 5602 1 18 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.071 0.038 17840 5603 1 18 . 1 1 29 29 TYR C C 29 177.619 177.619 177.929 -0.310 17840 5604 1 18 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.968 -0.695 17840 5605 1 18 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.437 -0.463 17840 5606 1 18 . 1 1 29 29 TYR H H 29 7.358 7.358 7.808 -0.450 17840 5607 1 18 . 1 1 30 30 PHE N N 30 117.565 117.565 117.787 -0.222 17840 5608 1 18 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.194 0.313 17840 5609 1 18 . 1 1 30 30 PHE C C 30 178.507 178.507 177.903 0.604 17840 5610 1 18 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.796 -3.234 17840 5611 1 18 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.790 -1.167 17840 5612 1 18 . 1 1 30 30 PHE H H 30 8.601 8.601 8.096 0.505 17840 5613 1 18 . 1 1 31 31 LYS N N 31 121.534 121.534 119.613 1.921 17840 5614 1 18 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.101 -0.083 17840 5615 1 18 . 1 1 31 31 LYS C C 31 178.751 178.751 179.118 -0.367 17840 5616 1 18 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.534 0.425 17840 5617 1 18 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.213 -0.509 17840 5618 1 18 . 1 1 31 31 LYS H H 31 8.310 8.310 7.608 0.702 17840 5619 1 18 . 1 1 32 32 LEU N N 32 118.368 118.368 121.422 -3.054 17840 5620 1 18 . 1 1 32 32 LEU HA H 32 4.126 4.126 3.991 0.135 17840 5621 1 18 . 1 1 32 32 LEU C C 32 180.636 180.636 178.347 2.289 17840 5622 1 18 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.084 0.006 17840 5623 1 18 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.993 -0.696 17840 5624 1 18 . 1 1 32 32 LEU H H 32 6.890 6.890 7.904 -1.014 17840 5625 1 18 . 1 1 33 33 ILE N N 33 118.866 118.866 119.751 -0.885 17840 5626 1 18 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.578 0.119 17840 5627 1 18 . 1 1 33 33 ILE C C 33 178.485 178.485 177.500 0.985 17840 5628 1 18 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.737 0.147 17840 5629 1 18 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.660 -0.146 17840 5630 1 18 . 1 1 33 33 ILE H H 33 6.985 6.985 7.775 -0.790 17840 5631 1 18 . 1 1 34 34 ALA N N 34 121.160 121.160 121.265 -0.105 17840 5632 1 18 . 1 1 34 34 ALA HA H 34 3.939 3.939 4.036 -0.097 17840 5633 1 18 . 1 1 34 34 ALA C C 34 179.372 179.372 179.379 -0.007 17840 5634 1 18 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.548 -0.315 17840 5635 1 18 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.280 0.394 17840 5636 1 18 . 1 1 34 34 ALA H H 34 8.312 8.312 8.383 -0.071 17840 5637 1 18 . 1 1 35 35 ASN N N 35 116.166 116.166 116.219 -0.053 17840 5638 1 18 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.658 -0.072 17840 5639 1 18 . 1 1 35 35 ASN C C 35 173.871 173.871 176.979 -3.108 17840 5640 1 18 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.547 0.148 17840 5641 1 18 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.139 -0.008 17840 5642 1 18 . 1 1 35 35 ASN H H 35 8.222 8.222 7.570 0.652 17840 5643 1 18 . 1 1 36 36 ALA N N 36 121.269 121.269 121.123 0.146 17840 5644 1 18 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.279 0.001 17840 5645 1 18 . 1 1 36 36 ALA C C 36 178.507 178.507 178.636 -0.129 17840 5646 1 18 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.586 0.497 17840 5647 1 18 . 1 1 36 36 ALA CB C 36 18.911 18.911 18.942 -0.031 17840 5648 1 18 . 1 1 36 36 ALA H H 36 7.397 7.397 7.854 -0.457 17840 5649 1 18 . 1 1 37 37 LYS N N 37 116.114 116.114 118.298 -2.184 17840 5650 1 18 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.245 0.061 17840 5651 1 18 . 1 1 37 37 LYS C C 37 175.401 175.401 177.321 -1.920 17840 5652 1 18 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.928 -1.665 17840 5653 1 18 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.413 0.518 17840 5654 1 18 . 1 1 37 37 LYS H H 37 7.371 7.371 7.957 -0.586 17840 5655 1 18 . 1 1 38 38 THR N N 38 113.187 113.187 111.876 1.311 17840 5656 1 18 . 1 1 38 38 THR HA H 38 4.300 4.300 4.586 -0.286 17840 5657 1 18 . 1 1 38 38 THR C C 38 173.139 173.139 173.251 -0.112 17840 5658 1 18 . 1 1 38 38 THR CA C 38 61.530 61.530 61.553 -0.023 17840 5659 1 18 . 1 1 38 38 THR CB C 38 69.468 69.468 70.749 -1.281 17840 5660 1 18 . 1 1 38 38 THR H H 38 7.812 7.812 7.902 -0.090 17840 5661 1 18 . 1 1 39 39 VAL N N 39 122.490 122.490 118.294 4.196 17840 5662 1 18 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.579 -0.327 17840 5663 1 18 . 1 1 39 39 VAL C C 39 174.869 174.869 175.047 -0.178 17840 5664 1 18 . 1 1 39 39 VAL CA C 39 62.510 62.510 63.071 -0.561 17840 5665 1 18 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.174 -0.513 17840 5666 1 18 . 1 1 39 39 VAL H H 39 8.091 8.091 8.263 -0.172 17840 5667 1 18 . 1 1 40 40 GLU N N 40 124.998 124.998 123.976 1.022 17840 5668 1 18 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.568 -0.024 17840 5669 1 18 . 1 1 40 40 GLU C C 40 174.913 174.913 175.952 -1.039 17840 5670 1 18 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.285 -0.888 17840 5671 1 18 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.312 0.184 17840 5672 1 18 . 1 1 40 40 GLU H H 40 8.479 8.479 8.599 -0.120 17840 5673 1 18 . 1 1 41 41 GLY N N 41 107.295 107.295 108.081 -0.786 17840 5674 1 18 . 1 1 41 41 GLY C C 41 174.558 174.558 173.242 1.316 17840 5675 1 18 . 1 1 41 41 GLY CA C 41 45.301 45.301 44.663 0.638 17840 5676 1 18 . 1 1 41 41 GLY H H 41 7.868 7.868 7.972 -0.104 17840 5677 1 18 . 1 1 42 42 VAL N N 42 120.789 120.789 120.508 0.281 17840 5678 1 18 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.507 -0.123 17840 5679 1 18 . 1 1 42 42 VAL C C 42 176.399 176.399 174.507 1.892 17840 5680 1 18 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.626 1.841 17840 5681 1 18 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.460 -1.067 17840 5682 1 18 . 1 1 42 42 VAL H H 42 8.087 8.087 7.854 0.233 17840 5683 1 18 . 1 1 43 43 TRP N N 43 130.892 130.892 127.228 3.664 17840 5684 1 18 . 1 1 43 43 TRP HA H 43 5.248 5.248 4.958 0.290 17840 5685 1 18 . 1 1 43 43 TRP C C 43 176.821 176.821 176.040 0.781 17840 5686 1 18 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.521 1.505 17840 5687 1 18 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.631 -0.856 17840 5688 1 18 . 1 1 43 43 TRP H H 43 9.224 9.224 8.430 0.794 17840 5689 1 18 . 1 1 44 44 THR N N 44 114.739 114.739 119.498 -4.759 17840 5690 1 18 . 1 1 44 44 THR HA H 44 4.802 4.802 4.802 0.000 17840 5691 1 18 . 1 1 44 44 THR C C 44 171.963 171.963 172.619 -0.656 17840 5692 1 18 . 1 1 44 44 THR CA C 44 60.996 60.996 59.706 1.290 17840 5693 1 18 . 1 1 44 44 THR CB C 44 72.649 72.649 71.370 1.279 17840 5694 1 18 . 1 1 44 44 THR H H 44 9.093 9.093 8.394 0.699 17840 5695 1 18 . 1 1 45 45 TYR N N 45 121.068 121.068 124.249 -3.181 17840 5696 1 18 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.717 0.287 17840 5697 1 18 . 1 1 45 45 TYR C C 45 173.472 173.472 173.890 -0.418 17840 5698 1 18 . 1 1 45 45 TYR CA C 45 57.084 57.084 56.610 0.474 17840 5699 1 18 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.911 -0.677 17840 5700 1 18 . 1 1 45 45 TYR H H 45 8.474 8.474 8.532 -0.058 17840 5701 1 18 . 1 1 46 46 LYS N N 46 128.497 128.497 124.095 4.402 17840 5702 1 18 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.319 0.014 17840 5703 1 18 . 1 1 46 46 LYS C C 46 174.847 174.847 174.797 0.050 17840 5704 1 18 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.895 -0.923 17840 5705 1 18 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.434 -0.587 17840 5706 1 18 . 1 1 46 46 LYS H H 46 7.144 7.144 7.399 -0.255 17840 5707 1 18 . 1 1 47 47 ASP N N 47 126.400 126.400 124.235 2.165 17840 5708 1 18 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.398 -0.394 17840 5709 1 18 . 1 1 47 47 ASP C C 47 179.191 179.191 175.880 3.311 17840 5710 1 18 . 1 1 47 47 ASP CA C 47 57.428 57.428 53.992 3.436 17840 5711 1 18 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.248 2.039 17840 5712 1 18 . 1 1 47 47 ASP H H 47 8.513 8.513 8.690 -0.177 17840 5713 1 18 . 1 1 48 48 GLU N N 48 118.126 118.126 119.034 -0.908 17840 5714 1 18 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.289 -0.216 17840 5715 1 18 . 1 1 48 48 GLU C C 48 176.976 176.976 176.931 0.045 17840 5716 1 18 . 1 1 48 48 GLU CA C 48 60.040 60.040 57.669 2.371 17840 5717 1 18 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.616 -1.959 17840 5718 1 18 . 1 1 48 48 GLU H H 48 9.618 9.618 8.435 1.183 17840 5719 1 18 . 1 1 49 49 ILE N N 49 105.335 105.335 113.840 -8.505 17840 5720 1 18 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.246 0.373 17840 5721 1 18 . 1 1 49 49 ILE C C 49 175.290 175.290 174.371 0.919 17840 5722 1 18 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.702 0.687 17840 5723 1 18 . 1 1 49 49 ILE CB C 49 38.341 38.341 38.022 0.320 17840 5724 1 18 . 1 1 49 49 ILE H H 49 6.187 6.187 7.707 -1.520 17840 5725 1 18 . 1 1 50 50 LYS N N 50 124.144 124.144 118.708 5.436 17840 5726 1 18 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.662 0.511 17840 5727 1 18 . 1 1 50 50 LYS C C 50 174.159 174.159 174.425 -0.266 17840 5728 1 18 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.812 -0.896 17840 5729 1 18 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.255 0.094 17840 5730 1 18 . 1 1 50 50 LYS H H 50 7.659 7.659 8.254 -0.595 17840 5731 1 18 . 1 1 51 51 THR N N 51 109.166 109.166 111.800 -2.634 17840 5732 1 18 . 1 1 51 51 THR HA H 51 5.650 5.650 5.291 0.359 17840 5733 1 18 . 1 1 51 51 THR C C 51 173.405 173.405 173.584 -0.179 17840 5734 1 18 . 1 1 51 51 THR CA C 51 62.262 62.262 60.781 1.481 17840 5735 1 18 . 1 1 51 51 THR CB C 51 73.271 73.271 70.750 2.521 17840 5736 1 18 . 1 1 51 51 THR H H 51 6.843 6.843 7.586 -0.743 17840 5737 1 18 . 1 1 52 52 PHE N N 52 130.917 130.917 126.732 4.185 17840 5738 1 18 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.015 0.544 17840 5739 1 18 . 1 1 52 52 PHE C C 52 173.627 173.627 174.641 -1.014 17840 5740 1 18 . 1 1 52 52 PHE CA C 52 57.270 57.270 57.918 -0.648 17840 5741 1 18 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.014 0.141 17840 5742 1 18 . 1 1 52 52 PHE H H 52 10.025 10.025 8.395 1.630 17840 5743 1 18 . 1 1 53 53 THR N N 53 117.627 117.627 112.713 4.914 17840 5744 1 18 . 1 1 53 53 THR HA H 53 5.217 5.217 4.618 0.599 17840 5745 1 18 . 1 1 53 53 THR C C 53 171.586 171.586 172.722 -1.136 17840 5746 1 18 . 1 1 53 53 THR CA C 53 61.724 61.724 60.736 0.987 17840 5747 1 18 . 1 1 53 53 THR CB C 53 70.567 70.567 71.699 -1.132 17840 5748 1 18 . 1 1 53 53 THR H H 53 8.927 8.927 9.130 -0.203 17840 5749 1 18 . 1 1 54 54 VAL N N 54 124.587 124.587 122.867 1.720 17840 5750 1 18 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.957 0.470 17840 5751 1 18 . 1 1 54 54 VAL C C 54 172.873 172.873 175.254 -2.381 17840 5752 1 18 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.692 -1.073 17840 5753 1 18 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.987 0.675 17840 5754 1 18 . 1 1 54 54 VAL H H 54 8.302 8.302 8.129 0.173 17840 5755 1 18 . 1 1 55 55 THR N N 55 124.116 124.116 123.498 0.618 17840 5756 1 18 . 1 1 55 55 THR HA H 55 4.769 4.769 4.803 -0.034 17840 5757 1 18 . 1 1 55 55 THR C C 55 173.294 173.294 173.087 0.207 17840 5758 1 18 . 1 1 55 55 THR CA C 55 61.698 61.698 61.929 -0.231 17840 5759 1 18 . 1 1 55 55 THR CB C 55 71.382 71.382 70.302 1.080 17840 5760 1 18 . 1 1 55 55 THR H H 55 8.229 8.229 8.138 0.091 17840 5761 1 19 . 1 1 2 2 THR N N 2 123.900 123.900 114.775 9.125 17840 5762 1 19 . 1 1 2 2 THR HA H 2 4.311 4.311 4.471 -0.160 17840 5763 1 19 . 1 1 2 2 THR C C 2 172.130 172.130 174.035 -1.905 17840 5764 1 19 . 1 1 2 2 THR CA C 2 63.855 63.855 62.172 1.683 17840 5765 1 19 . 1 1 2 2 THR CB C 2 68.688 68.688 69.036 -0.348 17840 5766 1 19 . 1 1 2 2 THR H H 2 8.670 8.670 8.482 0.188 17840 5767 1 19 . 1 1 3 3 TYR N N 3 127.206 127.206 126.777 0.429 17840 5768 1 19 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.128 0.233 17840 5769 1 19 . 1 1 3 3 TYR C C 3 173.427 173.427 174.732 -1.305 17840 5770 1 19 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.728 0.225 17840 5771 1 19 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.751 0.357 17840 5772 1 19 . 1 1 3 3 TYR H H 3 8.657 8.657 9.135 -0.478 17840 5773 1 19 . 1 1 4 4 LYS N N 4 120.377 120.377 122.231 -1.854 17840 5774 1 19 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.473 -0.072 17840 5775 1 19 . 1 1 4 4 LYS C C 4 172.296 172.296 174.620 -2.324 17840 5776 1 19 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.809 -0.149 17840 5777 1 19 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.469 -0.519 17840 5778 1 19 . 1 1 4 4 LYS H H 4 8.599 8.599 8.259 0.340 17840 5779 1 19 . 1 1 5 5 LEU N N 5 126.484 126.484 121.851 4.633 17840 5780 1 19 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.292 -0.269 17840 5781 1 19 . 1 1 5 5 LEU C C 5 174.359 174.359 174.942 -0.583 17840 5782 1 19 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.270 -0.733 17840 5783 1 19 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.470 -2.308 17840 5784 1 19 . 1 1 5 5 LEU H H 5 8.781 8.781 8.336 0.445 17840 5785 1 19 . 1 1 6 6 ILE N N 6 126.235 126.235 122.051 4.184 17840 5786 1 19 . 1 1 6 6 ILE HA H 6 4.368 4.368 5.262 -0.894 17840 5787 1 19 . 1 1 6 6 ILE C C 6 173.982 173.982 174.555 -0.573 17840 5788 1 19 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.735 0.727 17840 5789 1 19 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.160 -0.444 17840 5790 1 19 . 1 1 6 6 ILE H H 6 8.895 8.895 8.499 0.396 17840 5791 1 19 . 1 1 7 7 LEU N N 7 125.986 125.986 123.092 2.894 17840 5792 1 19 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.804 -0.407 17840 5793 1 19 . 1 1 7 7 LEU C C 7 173.915 173.915 174.746 -0.831 17840 5794 1 19 . 1 1 7 7 LEU CA C 7 53.629 53.629 52.507 1.122 17840 5795 1 19 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.576 -2.264 17840 5796 1 19 . 1 1 7 7 LEU H H 7 8.627 8.627 7.782 0.845 17840 5797 1 19 . 1 1 8 8 ASN N N 8 125.244 125.244 119.028 6.216 17840 5798 1 19 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.275 -0.205 17840 5799 1 19 . 1 1 8 8 ASN C C 8 173.960 173.960 175.264 -1.304 17840 5800 1 19 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.633 -0.820 17840 5801 1 19 . 1 1 8 8 ASN CB C 8 37.862 37.862 41.158 -3.296 17840 5802 1 19 . 1 1 8 8 ASN H H 8 8.762 8.762 8.599 0.163 17840 5803 1 19 . 1 1 9 9 LEU N N 9 121.294 121.294 124.999 -3.705 17840 5804 1 19 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.629 0.004 17840 5805 1 19 . 1 1 9 9 LEU C C 9 176.821 176.821 177.803 -0.982 17840 5806 1 19 . 1 1 9 9 LEU CA C 9 53.418 53.418 55.595 -2.177 17840 5807 1 19 . 1 1 9 9 LEU CB C 9 41.422 41.422 41.960 -0.538 17840 5808 1 19 . 1 1 9 9 LEU H H 9 7.409 7.409 7.829 -0.420 17840 5809 1 19 . 1 1 10 10 LYS N N 10 120.567 120.567 119.870 0.697 17840 5810 1 19 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.061 -0.125 17840 5811 1 19 . 1 1 10 10 LYS C C 10 179.217 179.217 177.783 1.434 17840 5812 1 19 . 1 1 10 10 LYS CA C 10 59.712 59.712 58.936 0.776 17840 5813 1 19 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.726 -0.920 17840 5814 1 19 . 1 1 10 10 LYS H H 10 8.935 8.935 8.075 0.860 17840 5815 1 19 . 1 1 11 11 GLN N N 11 112.875 112.875 116.179 -3.304 17840 5816 1 19 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.333 -0.022 17840 5817 1 19 . 1 1 11 11 GLN C C 11 174.891 174.891 174.487 0.404 17840 5818 1 19 . 1 1 11 11 GLN CA C 11 55.966 55.966 55.857 0.109 17840 5819 1 19 . 1 1 11 11 GLN CB C 11 29.158 29.158 29.948 -0.790 17840 5820 1 19 . 1 1 11 11 GLN H H 11 8.296 8.296 7.974 0.322 17840 5821 1 19 . 1 1 12 12 ALA N N 12 119.661 119.661 122.901 -3.240 17840 5822 1 19 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.529 -0.204 17840 5823 1 19 . 1 1 12 12 ALA C C 12 173.760 173.760 176.195 -2.435 17840 5824 1 19 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.311 1.198 17840 5825 1 19 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.428 0.984 17840 5826 1 19 . 1 1 12 12 ALA H H 12 6.849 6.849 7.908 -1.059 17840 5827 1 19 . 1 1 13 13 LYS N N 13 119.342 119.342 119.278 0.064 17840 5828 1 19 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.379 0.892 17840 5829 1 19 . 1 1 13 13 LYS C C 13 175.801 175.801 175.567 0.234 17840 5830 1 19 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.422 -0.287 17840 5831 1 19 . 1 1 13 13 LYS CB C 13 33.692 33.692 33.429 0.263 17840 5832 1 19 . 1 1 13 13 LYS H H 13 8.050 8.050 8.231 -0.181 17840 5833 1 19 . 1 1 14 14 GLU N N 14 123.266 123.266 120.246 3.020 17840 5834 1 19 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.649 0.090 17840 5835 1 19 . 1 1 14 14 GLU C C 14 173.316 173.316 174.551 -1.235 17840 5836 1 19 . 1 1 14 14 GLU CA C 14 54.842 54.842 54.445 0.397 17840 5837 1 19 . 1 1 14 14 GLU CB C 14 34.360 34.360 33.487 0.873 17840 5838 1 19 . 1 1 14 14 GLU H H 14 8.327 8.327 8.958 -0.631 17840 5839 1 19 . 1 1 15 15 GLU N N 15 119.898 119.898 119.916 -0.018 17840 5840 1 19 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.576 -0.067 17840 5841 1 19 . 1 1 15 15 GLU C C 15 174.270 174.270 175.499 -1.229 17840 5842 1 19 . 1 1 15 15 GLU CA C 15 54.655 54.655 54.508 0.147 17840 5843 1 19 . 1 1 15 15 GLU CB C 15 34.031 34.031 33.182 0.849 17840 5844 1 19 . 1 1 15 15 GLU H H 15 8.386 8.386 8.560 -0.174 17840 5845 1 19 . 1 1 16 16 ALA N N 16 125.415 125.415 124.827 0.588 17840 5846 1 19 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.809 0.065 17840 5847 1 19 . 1 1 16 16 ALA C C 16 174.403 174.403 175.205 -0.802 17840 5848 1 19 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.830 -0.466 17840 5849 1 19 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.863 0.633 17840 5850 1 19 . 1 1 16 16 ALA H H 16 8.911 8.911 8.259 0.652 17840 5851 1 19 . 1 1 17 17 ILE N N 17 117.476 117.476 119.320 -1.844 17840 5852 1 19 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.141 0.327 17840 5853 1 19 . 1 1 17 17 ILE C C 17 175.712 175.712 174.953 0.759 17840 5854 1 19 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.114 -0.241 17840 5855 1 19 . 1 1 17 17 ILE CB C 17 42.163 42.163 39.325 2.838 17840 5856 1 19 . 1 1 17 17 ILE H H 17 8.329 8.329 8.420 -0.091 17840 5857 1 19 . 1 1 18 18 LYS N N 18 125.884 125.884 127.388 -1.504 17840 5858 1 19 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.585 -0.165 17840 5859 1 19 . 1 1 18 18 LYS C C 18 172.873 172.873 174.601 -1.728 17840 5860 1 19 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.416 -0.297 17840 5861 1 19 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.484 1.746 17840 5862 1 19 . 1 1 18 18 LYS H H 18 9.050 9.050 9.208 -0.158 17840 5863 1 19 . 1 1 19 19 GLU N N 19 128.105 128.105 127.760 0.345 17840 5864 1 19 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.933 0.040 17840 5865 1 19 . 1 1 19 19 GLU C C 19 175.135 175.135 175.311 -0.176 17840 5866 1 19 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.599 -0.199 17840 5867 1 19 . 1 1 19 19 GLU CB C 19 29.316 29.316 30.477 -1.161 17840 5868 1 19 . 1 1 19 19 GLU H H 19 8.241 8.241 8.662 -0.420 17840 5869 1 19 . 1 1 20 20 LEU N N 20 127.206 127.206 127.540 -0.334 17840 5870 1 19 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.523 -0.308 17840 5871 1 19 . 1 1 20 20 LEU C C 20 177.531 177.531 177.167 0.364 17840 5872 1 19 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.071 -0.865 17840 5873 1 19 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.672 2.012 17840 5874 1 19 . 1 1 20 20 LEU H H 20 8.563 8.563 8.299 0.264 17840 5875 1 19 . 1 1 21 21 VAL N N 21 116.204 116.204 115.768 0.436 17840 5876 1 19 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.012 0.002 17840 5877 1 19 . 1 1 21 21 VAL C C 21 175.002 175.002 176.097 -1.095 17840 5878 1 19 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.718 0.616 17840 5879 1 19 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.348 -0.421 17840 5880 1 19 . 1 1 21 21 VAL H H 21 8.094 8.094 8.495 -0.401 17840 5881 1 19 . 1 1 22 22 ASP N N 22 114.375 114.375 119.560 -5.185 17840 5882 1 19 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.876 -0.038 17840 5883 1 19 . 1 1 22 22 ASP C C 22 174.536 174.536 175.990 -1.454 17840 5884 1 19 . 1 1 22 22 ASP CA C 22 53.147 53.147 52.765 0.382 17840 5885 1 19 . 1 1 22 22 ASP CB C 22 42.692 42.692 42.146 0.546 17840 5886 1 19 . 1 1 22 22 ASP H H 22 6.862 6.862 7.655 -0.793 17840 5887 1 19 . 1 1 23 23 ALA N N 23 121.084 121.084 121.042 0.042 17840 5888 1 19 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.566 -1.566 17840 5889 1 19 . 1 1 23 23 ALA C C 23 180.082 180.082 177.934 2.148 17840 5890 1 19 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.940 1.903 17840 5891 1 19 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.559 -1.939 17840 5892 1 19 . 1 1 23 23 ALA H H 23 8.389 8.389 8.351 0.038 17840 5893 1 19 . 1 1 24 24 GLY N N 24 108.035 108.035 107.676 0.359 17840 5894 1 19 . 1 1 24 24 GLY C C 24 176.910 176.910 176.014 0.896 17840 5895 1 19 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.471 0.562 17840 5896 1 19 . 1 1 24 24 GLY H H 24 8.391 8.391 8.205 0.186 17840 5897 1 19 . 1 1 25 25 THR N N 25 120.237 120.237 116.152 4.085 17840 5898 1 19 . 1 1 25 25 THR HA H 25 4.000 4.000 3.980 0.020 17840 5899 1 19 . 1 1 25 25 THR C C 25 176.555 176.555 176.210 0.345 17840 5900 1 19 . 1 1 25 25 THR CA C 25 66.900 66.900 65.668 1.232 17840 5901 1 19 . 1 1 25 25 THR CB C 25 68.095 68.095 68.961 -0.866 17840 5902 1 19 . 1 1 25 25 THR H H 25 8.071 8.071 8.262 -0.191 17840 5903 1 19 . 1 1 26 26 ALA N N 26 124.685 124.685 122.971 1.714 17840 5904 1 19 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.287 -0.826 17840 5905 1 19 . 1 1 26 26 ALA C C 26 175.734 175.734 179.543 -3.809 17840 5906 1 19 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.458 -1.615 17840 5907 1 19 . 1 1 26 26 ALA CB C 26 17.402 17.402 18.092 -0.690 17840 5908 1 19 . 1 1 26 26 ALA H H 26 7.444 7.444 8.027 -0.583 17840 5909 1 19 . 1 1 27 27 GLU N N 27 119.278 119.278 119.378 -0.100 17840 5910 1 19 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.232 -1.435 17840 5911 1 19 . 1 1 27 27 GLU C C 27 177.131 177.131 179.329 -2.198 17840 5912 1 19 . 1 1 27 27 GLU CA C 27 60.137 60.137 60.275 -0.138 17840 5913 1 19 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.568 -0.341 17840 5914 1 19 . 1 1 27 27 GLU H H 27 8.121 8.121 7.634 0.487 17840 5915 1 19 . 1 1 28 28 LYS N N 28 115.377 115.377 118.670 -3.293 17840 5916 1 19 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.224 -0.584 17840 5917 1 19 . 1 1 28 28 LYS C C 28 178.640 178.640 178.656 -0.016 17840 5918 1 19 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.095 0.756 17840 5919 1 19 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.708 -0.302 17840 5920 1 19 . 1 1 28 28 LYS H H 28 6.847 6.847 7.866 -1.019 17840 5921 1 19 . 1 1 29 29 TYR N N 29 119.713 119.713 121.993 -2.280 17840 5922 1 19 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.115 -0.006 17840 5923 1 19 . 1 1 29 29 TYR C C 29 177.619 177.619 178.457 -0.838 17840 5924 1 19 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.213 -0.940 17840 5925 1 19 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.464 -0.490 17840 5926 1 19 . 1 1 29 29 TYR H H 29 7.358 7.358 7.841 -0.483 17840 5927 1 19 . 1 1 30 30 PHE N N 30 117.565 117.565 117.222 0.343 17840 5928 1 19 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.521 -0.014 17840 5929 1 19 . 1 1 30 30 PHE C C 30 178.507 178.507 177.730 0.777 17840 5930 1 19 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.765 -2.203 17840 5931 1 19 . 1 1 30 30 PHE CB C 30 37.623 37.623 39.191 -1.568 17840 5932 1 19 . 1 1 30 30 PHE H H 30 8.601 8.601 8.893 -0.292 17840 5933 1 19 . 1 1 31 31 LYS N N 31 121.534 121.534 121.565 -0.031 17840 5934 1 19 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.372 -0.354 17840 5935 1 19 . 1 1 31 31 LYS C C 31 178.751 178.751 178.895 -0.144 17840 5936 1 19 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.911 0.048 17840 5937 1 19 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.516 -0.812 17840 5938 1 19 . 1 1 31 31 LYS H H 31 8.310 8.310 7.681 0.629 17840 5939 1 19 . 1 1 32 32 LEU N N 32 118.368 118.368 118.615 -0.247 17840 5940 1 19 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.188 -0.062 17840 5941 1 19 . 1 1 32 32 LEU C C 32 180.636 180.636 178.716 1.920 17840 5942 1 19 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.206 -0.116 17840 5943 1 19 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.424 -0.127 17840 5944 1 19 . 1 1 32 32 LEU H H 32 6.890 6.890 8.653 -1.764 17840 5945 1 19 . 1 1 33 33 ILE N N 33 118.866 118.866 120.373 -1.507 17840 5946 1 19 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.653 0.044 17840 5947 1 19 . 1 1 33 33 ILE C C 33 178.485 178.485 177.314 1.171 17840 5948 1 19 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.607 0.277 17840 5949 1 19 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.652 -0.138 17840 5950 1 19 . 1 1 33 33 ILE H H 33 6.985 6.985 7.668 -0.683 17840 5951 1 19 . 1 1 34 34 ALA N N 34 121.160 121.160 122.161 -1.001 17840 5952 1 19 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.932 0.007 17840 5953 1 19 . 1 1 34 34 ALA C C 34 179.372 179.372 179.352 0.020 17840 5954 1 19 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.720 -0.487 17840 5955 1 19 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.188 0.486 17840 5956 1 19 . 1 1 34 34 ALA H H 34 8.312 8.312 7.785 0.527 17840 5957 1 19 . 1 1 35 35 ASN N N 35 116.166 116.166 117.227 -1.061 17840 5958 1 19 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.597 -0.011 17840 5959 1 19 . 1 1 35 35 ASN C C 35 173.871 173.871 177.218 -3.347 17840 5960 1 19 . 1 1 35 35 ASN CA C 35 55.695 55.695 56.037 -0.342 17840 5961 1 19 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.515 -0.384 17840 5962 1 19 . 1 1 35 35 ASN H H 35 8.222 8.222 8.083 0.139 17840 5963 1 19 . 1 1 36 36 ALA N N 36 121.269 121.269 121.367 -0.098 17840 5964 1 19 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.407 -0.127 17840 5965 1 19 . 1 1 36 36 ALA C C 36 178.507 178.507 178.513 -0.006 17840 5966 1 19 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.465 0.618 17840 5967 1 19 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.083 -0.172 17840 5968 1 19 . 1 1 36 36 ALA H H 36 7.397 7.397 7.637 -0.240 17840 5969 1 19 . 1 1 37 37 LYS N N 37 116.114 116.114 118.765 -2.651 17840 5970 1 19 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.253 0.054 17840 5971 1 19 . 1 1 37 37 LYS C C 37 175.401 175.401 177.022 -1.621 17840 5972 1 19 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.903 -1.640 17840 5973 1 19 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.538 0.393 17840 5974 1 19 . 1 1 37 37 LYS H H 37 7.371 7.371 8.027 -0.656 17840 5975 1 19 . 1 1 38 38 THR N N 38 113.187 113.187 111.654 1.533 17840 5976 1 19 . 1 1 38 38 THR HA H 38 4.300 4.300 4.540 -0.240 17840 5977 1 19 . 1 1 38 38 THR C C 38 173.139 173.139 172.146 0.993 17840 5978 1 19 . 1 1 38 38 THR CA C 38 61.530 61.530 62.036 -0.506 17840 5979 1 19 . 1 1 38 38 THR CB C 38 69.468 69.468 69.189 0.279 17840 5980 1 19 . 1 1 38 38 THR H H 38 7.812 7.812 7.995 -0.183 17840 5981 1 19 . 1 1 39 39 VAL N N 39 122.490 122.490 115.853 6.637 17840 5982 1 19 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.372 -0.120 17840 5983 1 19 . 1 1 39 39 VAL C C 39 174.869 174.869 173.490 1.379 17840 5984 1 19 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.045 1.465 17840 5985 1 19 . 1 1 39 39 VAL CB C 39 32.661 32.661 34.190 -1.529 17840 5986 1 19 . 1 1 39 39 VAL H H 39 8.091 8.091 7.800 0.291 17840 5987 1 19 . 1 1 40 40 GLU N N 40 124.998 124.998 126.573 -1.575 17840 5988 1 19 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.719 -0.175 17840 5989 1 19 . 1 1 40 40 GLU C C 40 174.913 174.913 175.684 -0.771 17840 5990 1 19 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.534 -1.137 17840 5991 1 19 . 1 1 40 40 GLU CB C 40 30.497 30.497 32.483 -1.986 17840 5992 1 19 . 1 1 40 40 GLU H H 40 8.479 8.479 8.845 -0.366 17840 5993 1 19 . 1 1 41 41 GLY N N 41 107.295 107.295 110.540 -3.245 17840 5994 1 19 . 1 1 41 41 GLY C C 41 174.558 174.558 172.741 1.817 17840 5995 1 19 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.411 -0.110 17840 5996 1 19 . 1 1 41 41 GLY H H 41 7.868 7.868 8.384 -0.516 17840 5997 1 19 . 1 1 42 42 VAL N N 42 120.789 120.789 122.273 -1.484 17840 5998 1 19 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.544 -0.160 17840 5999 1 19 . 1 1 42 42 VAL C C 42 176.399 176.399 174.354 2.045 17840 6000 1 19 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.467 2.000 17840 6001 1 19 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.010 -0.617 17840 6002 1 19 . 1 1 42 42 VAL H H 42 8.087 8.087 8.541 -0.454 17840 6003 1 19 . 1 1 43 43 TRP N N 43 130.892 130.892 128.128 2.764 17840 6004 1 19 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.517 -0.269 17840 6005 1 19 . 1 1 43 43 TRP C C 43 176.821 176.821 176.118 0.703 17840 6006 1 19 . 1 1 43 43 TRP CA C 43 58.026 58.026 55.440 2.586 17840 6007 1 19 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.913 -1.139 17840 6008 1 19 . 1 1 43 43 TRP H H 43 9.224 9.224 8.590 0.634 17840 6009 1 19 . 1 1 44 44 THR N N 44 114.739 114.739 117.678 -2.939 17840 6010 1 19 . 1 1 44 44 THR HA H 44 4.802 4.802 4.877 -0.075 17840 6011 1 19 . 1 1 44 44 THR C C 44 171.963 171.963 172.571 -0.608 17840 6012 1 19 . 1 1 44 44 THR CA C 44 60.996 60.996 60.010 0.986 17840 6013 1 19 . 1 1 44 44 THR CB C 44 72.649 72.649 70.819 1.830 17840 6014 1 19 . 1 1 44 44 THR H H 44 9.093 9.093 9.158 -0.065 17840 6015 1 19 . 1 1 45 45 TYR N N 45 121.068 121.068 119.536 1.532 17840 6016 1 19 . 1 1 45 45 TYR HA H 45 5.004 5.004 5.193 -0.189 17840 6017 1 19 . 1 1 45 45 TYR C C 45 173.472 173.472 174.076 -0.604 17840 6018 1 19 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.421 -0.337 17840 6019 1 19 . 1 1 45 45 TYR CB C 45 41.234 41.234 42.772 -1.538 17840 6020 1 19 . 1 1 45 45 TYR H H 45 8.474 8.474 8.301 0.173 17840 6021 1 19 . 1 1 46 46 LYS N N 46 128.497 128.497 123.028 5.469 17840 6022 1 19 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.612 -0.279 17840 6023 1 19 . 1 1 46 46 LYS C C 46 174.847 174.847 175.265 -0.418 17840 6024 1 19 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.977 -1.006 17840 6025 1 19 . 1 1 46 46 LYS CB C 46 33.847 33.847 35.383 -1.536 17840 6026 1 19 . 1 1 46 46 LYS H H 46 7.144 7.144 7.632 -0.488 17840 6027 1 19 . 1 1 47 47 ASP N N 47 126.400 126.400 124.129 2.271 17840 6028 1 19 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.618 -0.614 17840 6029 1 19 . 1 1 47 47 ASP C C 47 179.191 179.191 176.704 2.487 17840 6030 1 19 . 1 1 47 47 ASP CA C 47 57.428 57.428 55.077 2.351 17840 6031 1 19 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.774 1.514 17840 6032 1 19 . 1 1 47 47 ASP H H 47 8.513 8.513 8.841 -0.328 17840 6033 1 19 . 1 1 48 48 GLU N N 48 118.126 118.126 119.854 -1.728 17840 6034 1 19 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.120 -0.047 17840 6035 1 19 . 1 1 48 48 GLU C C 48 176.976 176.976 176.919 0.057 17840 6036 1 19 . 1 1 48 48 GLU CA C 48 60.040 60.040 58.258 1.782 17840 6037 1 19 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.972 -1.315 17840 6038 1 19 . 1 1 48 48 GLU H H 48 9.618 9.618 8.383 1.235 17840 6039 1 19 . 1 1 49 49 ILE N N 49 105.335 105.335 110.382 -5.047 17840 6040 1 19 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.288 0.331 17840 6041 1 19 . 1 1 49 49 ILE C C 49 175.290 175.290 174.343 0.947 17840 6042 1 19 . 1 1 49 49 ILE CA C 49 60.389 60.389 59.041 1.348 17840 6043 1 19 . 1 1 49 49 ILE CB C 49 38.341 38.341 36.931 1.410 17840 6044 1 19 . 1 1 49 49 ILE H H 49 6.187 6.187 7.583 -1.396 17840 6045 1 19 . 1 1 50 50 LYS N N 50 124.144 124.144 119.061 5.083 17840 6046 1 19 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.692 0.481 17840 6047 1 19 . 1 1 50 50 LYS C C 50 174.159 174.159 174.317 -0.158 17840 6048 1 19 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.757 -0.841 17840 6049 1 19 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.413 -0.064 17840 6050 1 19 . 1 1 50 50 LYS H H 50 7.659 7.659 7.979 -0.320 17840 6051 1 19 . 1 1 51 51 THR N N 51 109.166 109.166 112.026 -2.860 17840 6052 1 19 . 1 1 51 51 THR HA H 51 5.650 5.650 5.136 0.514 17840 6053 1 19 . 1 1 51 51 THR C C 51 173.405 173.405 172.660 0.745 17840 6054 1 19 . 1 1 51 51 THR CA C 51 62.262 62.262 60.107 2.155 17840 6055 1 19 . 1 1 51 51 THR CB C 51 73.271 73.271 71.765 1.506 17840 6056 1 19 . 1 1 51 51 THR H H 51 6.843 6.843 7.110 -0.267 17840 6057 1 19 . 1 1 52 52 PHE N N 52 130.917 130.917 124.796 6.121 17840 6058 1 19 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.341 0.218 17840 6059 1 19 . 1 1 52 52 PHE C C 52 173.627 173.627 174.773 -1.146 17840 6060 1 19 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.007 1.264 17840 6061 1 19 . 1 1 52 52 PHE CB C 52 42.155 42.155 43.325 -1.170 17840 6062 1 19 . 1 1 52 52 PHE H H 52 10.025 10.025 8.458 1.567 17840 6063 1 19 . 1 1 53 53 THR N N 53 117.627 117.627 114.689 2.938 17840 6064 1 19 . 1 1 53 53 THR HA H 53 5.217 5.217 4.621 0.596 17840 6065 1 19 . 1 1 53 53 THR C C 53 171.586 171.586 172.777 -1.191 17840 6066 1 19 . 1 1 53 53 THR CA C 53 61.724 61.724 60.890 0.834 17840 6067 1 19 . 1 1 53 53 THR CB C 53 70.567 70.567 71.255 -0.688 17840 6068 1 19 . 1 1 53 53 THR H H 53 8.927 8.927 9.349 -0.422 17840 6069 1 19 . 1 1 54 54 VAL N N 54 124.587 124.587 126.154 -1.567 17840 6070 1 19 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.264 0.163 17840 6071 1 19 . 1 1 54 54 VAL C C 54 172.873 172.873 175.350 -2.477 17840 6072 1 19 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.929 -1.310 17840 6073 1 19 . 1 1 54 54 VAL CB C 54 32.662 32.662 32.029 0.632 17840 6074 1 19 . 1 1 54 54 VAL H H 54 8.302 8.302 7.925 0.377 17840 6075 1 19 . 1 1 55 55 THR N N 55 124.116 124.116 125.231 -1.115 17840 6076 1 19 . 1 1 55 55 THR HA H 55 4.769 4.769 4.687 0.082 17840 6077 1 19 . 1 1 55 55 THR C C 55 173.294 173.294 173.646 -0.352 17840 6078 1 19 . 1 1 55 55 THR CA C 55 61.698 61.698 61.903 -0.205 17840 6079 1 19 . 1 1 55 55 THR CB C 55 71.382 71.382 70.190 1.192 17840 6080 1 19 . 1 1 55 55 THR H H 55 8.229 8.229 8.933 -0.704 17840 6081 1 20 . 1 1 2 2 THR N N 2 123.900 123.900 118.845 5.055 17840 6082 1 20 . 1 1 2 2 THR HA H 2 4.311 4.311 4.540 -0.229 17840 6083 1 20 . 1 1 2 2 THR C C 2 172.130 172.130 173.369 -1.239 17840 6084 1 20 . 1 1 2 2 THR CA C 2 63.855 63.855 62.049 1.806 17840 6085 1 20 . 1 1 2 2 THR CB C 2 68.688 68.688 69.471 -0.783 17840 6086 1 20 . 1 1 2 2 THR H H 2 8.670 8.670 8.279 0.391 17840 6087 1 20 . 1 1 3 3 TYR N N 3 127.206 127.206 128.873 -1.667 17840 6088 1 20 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.056 0.305 17840 6089 1 20 . 1 1 3 3 TYR C C 3 173.427 173.427 174.636 -1.209 17840 6090 1 20 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.686 0.267 17840 6091 1 20 . 1 1 3 3 TYR CB C 3 43.108 43.108 41.704 1.404 17840 6092 1 20 . 1 1 3 3 TYR H H 3 8.657 8.657 8.976 -0.319 17840 6093 1 20 . 1 1 4 4 LYS N N 4 120.377 120.377 124.804 -4.427 17840 6094 1 20 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.400 0.001 17840 6095 1 20 . 1 1 4 4 LYS C C 4 172.296 172.296 174.772 -2.476 17840 6096 1 20 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.863 -0.203 17840 6097 1 20 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.278 -0.328 17840 6098 1 20 . 1 1 4 4 LYS H H 4 8.599 8.599 8.359 0.240 17840 6099 1 20 . 1 1 5 5 LEU N N 5 126.484 126.484 121.887 4.597 17840 6100 1 20 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.603 -0.580 17840 6101 1 20 . 1 1 5 5 LEU C C 5 174.359 174.359 175.060 -0.701 17840 6102 1 20 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.331 -0.794 17840 6103 1 20 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.604 -2.442 17840 6104 1 20 . 1 1 5 5 LEU H H 5 8.781 8.781 8.482 0.299 17840 6105 1 20 . 1 1 6 6 ILE N N 6 126.235 126.235 122.857 3.378 17840 6106 1 20 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.878 -0.510 17840 6107 1 20 . 1 1 6 6 ILE C C 6 173.982 173.982 174.568 -0.586 17840 6108 1 20 . 1 1 6 6 ILE CA C 6 60.462 60.462 58.981 1.481 17840 6109 1 20 . 1 1 6 6 ILE CB C 6 38.716 38.716 38.156 0.560 17840 6110 1 20 . 1 1 6 6 ILE H H 6 8.895 8.895 8.739 0.156 17840 6111 1 20 . 1 1 7 7 LEU N N 7 125.986 125.986 128.197 -2.211 17840 6112 1 20 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.669 -0.272 17840 6113 1 20 . 1 1 7 7 LEU C C 7 173.915 173.915 175.179 -1.264 17840 6114 1 20 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.839 -0.209 17840 6115 1 20 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.554 -2.242 17840 6116 1 20 . 1 1 7 7 LEU H H 7 8.627 8.627 9.239 -0.612 17840 6117 1 20 . 1 1 8 8 ASN N N 8 125.244 125.244 121.422 3.822 17840 6118 1 20 . 1 1 8 8 ASN HA H 8 5.070 5.070 4.949 0.121 17840 6119 1 20 . 1 1 8 8 ASN C C 8 173.960 173.960 174.153 -0.193 17840 6120 1 20 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.606 -0.793 17840 6121 1 20 . 1 1 8 8 ASN CB C 8 37.862 37.862 41.056 -3.194 17840 6122 1 20 . 1 1 8 8 ASN H H 8 8.762 8.762 8.949 -0.187 17840 6123 1 20 . 1 1 9 9 LEU N N 9 121.294 121.294 125.590 -4.296 17840 6124 1 20 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.747 -0.114 17840 6125 1 20 . 1 1 9 9 LEU C C 9 176.821 176.821 176.615 0.206 17840 6126 1 20 . 1 1 9 9 LEU CA C 9 53.418 53.418 54.009 -0.591 17840 6127 1 20 . 1 1 9 9 LEU CB C 9 41.422 41.422 41.682 -0.260 17840 6128 1 20 . 1 1 9 9 LEU H H 9 7.409 7.409 8.848 -1.439 17840 6129 1 20 . 1 1 10 10 LYS N N 10 120.567 120.567 119.837 0.730 17840 6130 1 20 . 1 1 10 10 LYS HA H 10 3.936 3.936 3.834 0.102 17840 6131 1 20 . 1 1 10 10 LYS C C 10 179.217 179.217 177.307 1.910 17840 6132 1 20 . 1 1 10 10 LYS CA C 10 59.712 59.712 59.162 0.550 17840 6133 1 20 . 1 1 10 10 LYS CB C 10 31.806 31.806 30.971 0.835 17840 6134 1 20 . 1 1 10 10 LYS H H 10 8.935 8.935 8.658 0.277 17840 6135 1 20 . 1 1 11 11 GLN N N 11 112.875 112.875 119.097 -6.222 17840 6136 1 20 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.433 -0.122 17840 6137 1 20 . 1 1 11 11 GLN C C 11 174.891 174.891 174.871 0.020 17840 6138 1 20 . 1 1 11 11 GLN CA C 11 55.966 55.966 56.098 -0.132 17840 6139 1 20 . 1 1 11 11 GLN CB C 11 29.158 29.158 31.159 -2.001 17840 6140 1 20 . 1 1 11 11 GLN H H 11 8.296 8.296 8.384 -0.088 17840 6141 1 20 . 1 1 12 12 ALA N N 12 119.661 119.661 122.552 -2.891 17840 6142 1 20 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.540 -0.215 17840 6143 1 20 . 1 1 12 12 ALA C C 12 173.760 173.760 175.278 -1.518 17840 6144 1 20 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.246 1.263 17840 6145 1 20 . 1 1 12 12 ALA CB C 12 21.412 21.412 20.009 1.403 17840 6146 1 20 . 1 1 12 12 ALA H H 12 6.849 6.849 7.698 -0.849 17840 6147 1 20 . 1 1 13 13 LYS N N 13 119.342 119.342 121.257 -1.915 17840 6148 1 20 . 1 1 13 13 LYS HA H 13 5.271 5.271 5.044 0.227 17840 6149 1 20 . 1 1 13 13 LYS C C 13 175.801 175.801 175.189 0.612 17840 6150 1 20 . 1 1 13 13 LYS CA C 13 55.135 55.135 54.499 0.636 17840 6151 1 20 . 1 1 13 13 LYS CB C 13 33.692 33.692 35.478 -1.786 17840 6152 1 20 . 1 1 13 13 LYS H H 13 8.050 8.050 8.275 -0.225 17840 6153 1 20 . 1 1 14 14 GLU N N 14 123.266 123.266 121.155 2.111 17840 6154 1 20 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.581 0.158 17840 6155 1 20 . 1 1 14 14 GLU C C 14 173.316 173.316 175.273 -1.957 17840 6156 1 20 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.127 -0.285 17840 6157 1 20 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.548 1.812 17840 6158 1 20 . 1 1 14 14 GLU H H 14 8.327 8.327 8.943 -0.616 17840 6159 1 20 . 1 1 15 15 GLU N N 15 119.898 119.898 121.773 -1.875 17840 6160 1 20 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.453 0.056 17840 6161 1 20 . 1 1 15 15 GLU C C 15 174.270 174.270 174.993 -0.723 17840 6162 1 20 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.072 -0.416 17840 6163 1 20 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.899 1.132 17840 6164 1 20 . 1 1 15 15 GLU H H 15 8.386 8.386 8.671 -0.285 17840 6165 1 20 . 1 1 16 16 ALA N N 16 125.415 125.415 126.061 -0.646 17840 6166 1 20 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.718 0.156 17840 6167 1 20 . 1 1 16 16 ALA C C 16 174.403 174.403 175.047 -0.644 17840 6168 1 20 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.504 -0.140 17840 6169 1 20 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.501 0.995 17840 6170 1 20 . 1 1 16 16 ALA H H 16 8.911 8.911 8.254 0.657 17840 6171 1 20 . 1 1 17 17 ILE N N 17 117.476 117.476 118.647 -1.171 17840 6172 1 20 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.418 0.050 17840 6173 1 20 . 1 1 17 17 ILE C C 17 175.712 175.712 175.161 0.551 17840 6174 1 20 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.755 -0.882 17840 6175 1 20 . 1 1 17 17 ILE CB C 17 42.163 42.163 41.699 0.464 17840 6176 1 20 . 1 1 17 17 ILE H H 17 8.329 8.329 8.380 -0.051 17840 6177 1 20 . 1 1 18 18 LYS N N 18 125.884 125.884 127.601 -1.717 17840 6178 1 20 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.708 -0.288 17840 6179 1 20 . 1 1 18 18 LYS C C 18 172.873 172.873 174.846 -1.973 17840 6180 1 20 . 1 1 18 18 LYS CA C 18 55.119 55.119 54.834 0.284 17840 6181 1 20 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.787 1.443 17840 6182 1 20 . 1 1 18 18 LYS H H 18 9.050 9.050 9.308 -0.258 17840 6183 1 20 . 1 1 19 19 GLU N N 19 128.105 128.105 126.496 1.609 17840 6184 1 20 . 1 1 19 19 GLU HA H 19 4.973 4.973 5.014 -0.041 17840 6185 1 20 . 1 1 19 19 GLU C C 19 175.135 175.135 175.860 -0.725 17840 6186 1 20 . 1 1 19 19 GLU CA C 19 55.400 55.400 56.219 -0.819 17840 6187 1 20 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.849 -0.533 17840 6188 1 20 . 1 1 19 19 GLU H H 19 8.241 8.241 8.690 -0.449 17840 6189 1 20 . 1 1 20 20 LEU N N 20 127.206 127.206 125.887 1.319 17840 6190 1 20 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.463 -0.248 17840 6191 1 20 . 1 1 20 20 LEU C C 20 177.531 177.531 176.943 0.588 17840 6192 1 20 . 1 1 20 20 LEU CA C 20 53.206 53.206 54.063 -0.857 17840 6193 1 20 . 1 1 20 20 LEU CB C 20 45.684 45.684 43.273 2.410 17840 6194 1 20 . 1 1 20 20 LEU H H 20 8.563 8.563 8.328 0.235 17840 6195 1 20 . 1 1 21 21 VAL N N 21 116.204 116.204 119.960 -3.756 17840 6196 1 20 . 1 1 21 21 VAL HA H 21 4.014 4.014 3.927 0.087 17840 6197 1 20 . 1 1 21 21 VAL C C 21 175.002 175.002 175.587 -0.585 17840 6198 1 20 . 1 1 21 21 VAL CA C 21 65.334 65.334 64.481 0.853 17840 6199 1 20 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.346 -0.419 17840 6200 1 20 . 1 1 21 21 VAL H H 21 8.094 8.094 8.358 -0.264 17840 6201 1 20 . 1 1 22 22 ASP N N 22 114.375 114.375 118.213 -3.838 17840 6202 1 20 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.801 0.037 17840 6203 1 20 . 1 1 22 22 ASP C C 22 174.536 174.536 174.740 -0.204 17840 6204 1 20 . 1 1 22 22 ASP CA C 22 53.147 53.147 53.579 -0.432 17840 6205 1 20 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.470 -0.778 17840 6206 1 20 . 1 1 22 22 ASP H H 22 6.862 6.862 7.930 -1.068 17840 6207 1 20 . 1 1 23 23 ALA N N 23 121.084 121.084 119.822 1.262 17840 6208 1 20 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.639 -1.639 17840 6209 1 20 . 1 1 23 23 ALA C C 23 180.082 180.082 178.536 1.546 17840 6210 1 20 . 1 1 23 23 ALA CA C 23 54.843 54.843 52.504 2.339 17840 6211 1 20 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.813 -2.193 17840 6212 1 20 . 1 1 23 23 ALA H H 23 8.389 8.389 8.267 0.122 17840 6213 1 20 . 1 1 24 24 GLY N N 24 108.035 108.035 108.593 -0.558 17840 6214 1 20 . 1 1 24 24 GLY C C 24 176.910 176.910 175.595 1.315 17840 6215 1 20 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.696 0.338 17840 6216 1 20 . 1 1 24 24 GLY H H 24 8.391 8.391 8.260 0.131 17840 6217 1 20 . 1 1 25 25 THR N N 25 120.237 120.237 117.274 2.963 17840 6218 1 20 . 1 1 25 25 THR HA H 25 4.000 4.000 4.117 -0.117 17840 6219 1 20 . 1 1 25 25 THR C C 25 176.555 176.555 176.749 -0.194 17840 6220 1 20 . 1 1 25 25 THR CA C 25 66.900 66.900 65.250 1.650 17840 6221 1 20 . 1 1 25 25 THR CB C 25 68.095 68.095 68.551 -0.456 17840 6222 1 20 . 1 1 25 25 THR H H 25 8.071 8.071 8.164 -0.093 17840 6223 1 20 . 1 1 26 26 ALA N N 26 124.685 124.685 122.966 1.719 17840 6224 1 20 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.079 -0.618 17840 6225 1 20 . 1 1 26 26 ALA C C 26 175.734 175.734 179.349 -3.615 17840 6226 1 20 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.524 -1.681 17840 6227 1 20 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.646 -0.244 17840 6228 1 20 . 1 1 26 26 ALA H H 26 7.444 7.444 8.044 -0.600 17840 6229 1 20 . 1 1 27 27 GLU N N 27 119.278 119.278 118.411 0.867 17840 6230 1 20 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.054 -1.257 17840 6231 1 20 . 1 1 27 27 GLU C C 27 177.131 177.131 178.757 -1.626 17840 6232 1 20 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.305 0.832 17840 6233 1 20 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.370 -0.143 17840 6234 1 20 . 1 1 27 27 GLU H H 27 8.121 8.121 7.857 0.264 17840 6235 1 20 . 1 1 28 28 LYS N N 28 115.377 115.377 119.635 -4.258 17840 6236 1 20 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.134 -0.494 17840 6237 1 20 . 1 1 28 28 LYS C C 28 178.640 178.640 178.814 -0.174 17840 6238 1 20 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.264 0.587 17840 6239 1 20 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.509 -0.103 17840 6240 1 20 . 1 1 28 28 LYS H H 28 6.847 6.847 8.128 -1.281 17840 6241 1 20 . 1 1 29 29 TYR N N 29 119.713 119.713 121.053 -1.340 17840 6242 1 20 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.125 -0.016 17840 6243 1 20 . 1 1 29 29 TYR C C 29 177.619 177.619 178.067 -0.448 17840 6244 1 20 . 1 1 29 29 TYR CA C 29 61.273 61.273 62.273 -1.000 17840 6245 1 20 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.691 -0.717 17840 6246 1 20 . 1 1 29 29 TYR H H 29 7.358 7.358 7.925 -0.567 17840 6247 1 20 . 1 1 30 30 PHE N N 30 117.565 117.565 117.106 0.459 17840 6248 1 20 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.305 0.202 17840 6249 1 20 . 1 1 30 30 PHE C C 30 178.507 178.507 178.094 0.413 17840 6250 1 20 . 1 1 30 30 PHE CA C 30 57.562 57.562 59.913 -2.351 17840 6251 1 20 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.533 -0.910 17840 6252 1 20 . 1 1 30 30 PHE H H 30 8.601 8.601 8.299 0.302 17840 6253 1 20 . 1 1 31 31 LYS N N 31 121.534 121.534 120.440 1.094 17840 6254 1 20 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.141 -0.123 17840 6255 1 20 . 1 1 31 31 LYS C C 31 178.751 178.751 179.182 -0.431 17840 6256 1 20 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.434 0.525 17840 6257 1 20 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.317 -0.613 17840 6258 1 20 . 1 1 31 31 LYS H H 31 8.310 8.310 7.597 0.713 17840 6259 1 20 . 1 1 32 32 LEU N N 32 118.368 118.368 121.533 -3.165 17840 6260 1 20 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.033 0.093 17840 6261 1 20 . 1 1 32 32 LEU C C 32 180.636 180.636 178.451 2.185 17840 6262 1 20 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.094 -0.004 17840 6263 1 20 . 1 1 32 32 LEU CB C 32 41.297 41.297 42.094 -0.797 17840 6264 1 20 . 1 1 32 32 LEU H H 32 6.890 6.890 8.209 -1.319 17840 6265 1 20 . 1 1 33 33 ILE N N 33 118.866 118.866 119.720 -0.854 17840 6266 1 20 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.597 0.100 17840 6267 1 20 . 1 1 33 33 ILE C C 33 178.485 178.485 177.313 1.172 17840 6268 1 20 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.670 0.214 17840 6269 1 20 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.684 -0.170 17840 6270 1 20 . 1 1 33 33 ILE H H 33 6.985 6.985 8.181 -1.196 17840 6271 1 20 . 1 1 34 34 ALA N N 34 121.160 121.160 121.316 -0.156 17840 6272 1 20 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.849 0.090 17840 6273 1 20 . 1 1 34 34 ALA C C 34 179.372 179.372 179.327 0.045 17840 6274 1 20 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.363 -0.130 17840 6275 1 20 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.071 0.603 17840 6276 1 20 . 1 1 34 34 ALA H H 34 8.312 8.312 8.076 0.236 17840 6277 1 20 . 1 1 35 35 ASN N N 35 116.166 116.166 115.289 0.877 17840 6278 1 20 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.705 -0.119 17840 6279 1 20 . 1 1 35 35 ASN C C 35 173.871 173.871 176.397 -2.526 17840 6280 1 20 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.119 0.576 17840 6281 1 20 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.566 -0.436 17840 6282 1 20 . 1 1 35 35 ASN H H 35 8.222 8.222 7.779 0.443 17840 6283 1 20 . 1 1 36 36 ALA N N 36 121.269 121.269 121.232 0.037 17840 6284 1 20 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.328 -0.048 17840 6285 1 20 . 1 1 36 36 ALA C C 36 178.507 178.507 178.643 -0.136 17840 6286 1 20 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.529 0.554 17840 6287 1 20 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.100 -0.189 17840 6288 1 20 . 1 1 36 36 ALA H H 36 7.397 7.397 7.632 -0.235 17840 6289 1 20 . 1 1 37 37 LYS N N 37 116.114 116.114 119.088 -2.974 17840 6290 1 20 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.296 0.010 17840 6291 1 20 . 1 1 37 37 LYS C C 37 175.401 175.401 177.286 -1.885 17840 6292 1 20 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.468 -1.205 17840 6293 1 20 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.518 0.413 17840 6294 1 20 . 1 1 37 37 LYS H H 37 7.371 7.371 8.056 -0.685 17840 6295 1 20 . 1 1 38 38 THR N N 38 113.187 113.187 114.456 -1.269 17840 6296 1 20 . 1 1 38 38 THR HA H 38 4.300 4.300 4.471 -0.171 17840 6297 1 20 . 1 1 38 38 THR C C 38 173.139 173.139 173.038 0.101 17840 6298 1 20 . 1 1 38 38 THR CA C 38 61.530 61.530 61.777 -0.247 17840 6299 1 20 . 1 1 38 38 THR CB C 38 69.468 69.468 70.576 -1.108 17840 6300 1 20 . 1 1 38 38 THR H H 38 7.812 7.812 7.815 -0.003 17840 6301 1 20 . 1 1 39 39 VAL N N 39 122.490 122.490 119.687 2.803 17840 6302 1 20 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.551 -0.299 17840 6303 1 20 . 1 1 39 39 VAL C C 39 174.869 174.869 174.330 0.539 17840 6304 1 20 . 1 1 39 39 VAL CA C 39 62.510 62.510 61.978 0.532 17840 6305 1 20 . 1 1 39 39 VAL CB C 39 32.661 32.661 32.859 -0.198 17840 6306 1 20 . 1 1 39 39 VAL H H 39 8.091 8.091 8.305 -0.214 17840 6307 1 20 . 1 1 40 40 GLU N N 40 124.998 124.998 125.482 -0.484 17840 6308 1 20 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.489 0.055 17840 6309 1 20 . 1 1 40 40 GLU C C 40 174.913 174.913 175.418 -0.505 17840 6310 1 20 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.730 -1.333 17840 6311 1 20 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.308 0.189 17840 6312 1 20 . 1 1 40 40 GLU H H 40 8.479 8.479 8.548 -0.069 17840 6313 1 20 . 1 1 41 41 GLY N N 41 107.295 107.295 107.539 -0.244 17840 6314 1 20 . 1 1 41 41 GLY C C 41 174.558 174.558 172.937 1.621 17840 6315 1 20 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.018 0.283 17840 6316 1 20 . 1 1 41 41 GLY H H 41 7.868 7.868 7.929 -0.061 17840 6317 1 20 . 1 1 42 42 VAL N N 42 120.789 120.789 120.984 -0.195 17840 6318 1 20 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.582 -0.198 17840 6319 1 20 . 1 1 42 42 VAL C C 42 176.399 176.399 174.423 1.976 17840 6320 1 20 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.401 2.066 17840 6321 1 20 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.743 -1.350 17840 6322 1 20 . 1 1 42 42 VAL H H 42 8.087 8.087 7.841 0.246 17840 6323 1 20 . 1 1 43 43 TRP N N 43 130.892 130.892 126.293 4.599 17840 6324 1 20 . 1 1 43 43 TRP HA H 43 5.248 5.248 4.863 0.385 17840 6325 1 20 . 1 1 43 43 TRP C C 43 176.821 176.821 176.230 0.591 17840 6326 1 20 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.877 1.149 17840 6327 1 20 . 1 1 43 43 TRP CB C 43 29.775 29.775 31.537 -1.762 17840 6328 1 20 . 1 1 43 43 TRP H H 43 9.224 9.224 8.524 0.700 17840 6329 1 20 . 1 1 44 44 THR N N 44 114.739 114.739 118.257 -3.518 17840 6330 1 20 . 1 1 44 44 THR HA H 44 4.802 4.802 4.812 -0.010 17840 6331 1 20 . 1 1 44 44 THR C C 44 171.963 171.963 172.452 -0.489 17840 6332 1 20 . 1 1 44 44 THR CA C 44 60.996 60.996 61.659 -0.663 17840 6333 1 20 . 1 1 44 44 THR CB C 44 72.649 72.649 71.261 1.388 17840 6334 1 20 . 1 1 44 44 THR H H 44 9.093 9.093 9.066 0.027 17840 6335 1 20 . 1 1 45 45 TYR N N 45 121.068 121.068 126.986 -5.918 17840 6336 1 20 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.717 0.287 17840 6337 1 20 . 1 1 45 45 TYR C C 45 173.472 173.472 174.268 -0.796 17840 6338 1 20 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.265 -0.181 17840 6339 1 20 . 1 1 45 45 TYR CB C 45 41.234 41.234 40.654 0.580 17840 6340 1 20 . 1 1 45 45 TYR H H 45 8.474 8.474 8.782 -0.308 17840 6341 1 20 . 1 1 46 46 LYS N N 46 128.497 128.497 127.246 1.251 17840 6342 1 20 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.460 -0.127 17840 6343 1 20 . 1 1 46 46 LYS C C 46 174.847 174.847 175.056 -0.209 17840 6344 1 20 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.743 -0.771 17840 6345 1 20 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.226 -0.379 17840 6346 1 20 . 1 1 46 46 LYS H H 46 7.144 7.144 8.034 -0.890 17840 6347 1 20 . 1 1 47 47 ASP N N 47 126.400 126.400 124.488 1.912 17840 6348 1 20 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.471 -0.467 17840 6349 1 20 . 1 1 47 47 ASP C C 47 179.191 179.191 175.865 3.326 17840 6350 1 20 . 1 1 47 47 ASP CA C 47 57.428 57.428 53.846 3.582 17840 6351 1 20 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.672 1.616 17840 6352 1 20 . 1 1 47 47 ASP H H 47 8.513 8.513 8.785 -0.272 17840 6353 1 20 . 1 1 48 48 GLU N N 48 118.126 118.126 120.369 -2.243 17840 6354 1 20 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.254 -0.181 17840 6355 1 20 . 1 1 48 48 GLU C C 48 176.976 176.976 176.310 0.666 17840 6356 1 20 . 1 1 48 48 GLU CA C 48 60.040 60.040 57.382 2.658 17840 6357 1 20 . 1 1 48 48 GLU CB C 48 28.657 28.657 30.306 -1.649 17840 6358 1 20 . 1 1 48 48 GLU H H 48 9.618 9.618 8.189 1.429 17840 6359 1 20 . 1 1 49 49 ILE N N 49 105.335 105.335 119.639 -14.304 17840 6360 1 20 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.074 0.545 17840 6361 1 20 . 1 1 49 49 ILE C C 49 175.290 175.290 173.492 1.798 17840 6362 1 20 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.900 -0.511 17840 6363 1 20 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.869 0.472 17840 6364 1 20 . 1 1 49 49 ILE H H 49 6.187 6.187 7.566 -1.379 17840 6365 1 20 . 1 1 50 50 LYS N N 50 124.144 124.144 119.112 5.032 17840 6366 1 20 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.667 0.506 17840 6367 1 20 . 1 1 50 50 LYS C C 50 174.159 174.159 174.082 0.077 17840 6368 1 20 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.859 -0.943 17840 6369 1 20 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.765 -0.416 17840 6370 1 20 . 1 1 50 50 LYS H H 50 7.659 7.659 8.077 -0.418 17840 6371 1 20 . 1 1 51 51 THR N N 51 109.166 109.166 115.079 -5.913 17840 6372 1 20 . 1 1 51 51 THR HA H 51 5.650 5.650 5.160 0.490 17840 6373 1 20 . 1 1 51 51 THR C C 51 173.405 173.405 172.402 1.003 17840 6374 1 20 . 1 1 51 51 THR CA C 51 62.262 62.262 61.206 1.056 17840 6375 1 20 . 1 1 51 51 THR CB C 51 73.271 73.271 70.998 2.274 17840 6376 1 20 . 1 1 51 51 THR H H 51 6.843 6.843 7.427 -0.584 17840 6377 1 20 . 1 1 52 52 PHE N N 52 130.917 130.917 127.519 3.398 17840 6378 1 20 . 1 1 52 52 PHE HA H 52 5.559 5.559 4.925 0.634 17840 6379 1 20 . 1 1 52 52 PHE C C 52 173.627 173.627 174.372 -0.745 17840 6380 1 20 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.654 0.617 17840 6381 1 20 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.911 -0.756 17840 6382 1 20 . 1 1 52 52 PHE H H 52 10.025 10.025 8.941 1.084 17840 6383 1 20 . 1 1 53 53 THR N N 53 117.627 117.627 115.649 1.978 17840 6384 1 20 . 1 1 53 53 THR HA H 53 5.217 5.217 4.647 0.570 17840 6385 1 20 . 1 1 53 53 THR C C 53 171.586 171.586 172.806 -1.220 17840 6386 1 20 . 1 1 53 53 THR CA C 53 61.724 61.724 61.184 0.540 17840 6387 1 20 . 1 1 53 53 THR CB C 53 70.567 70.567 71.619 -1.052 17840 6388 1 20 . 1 1 53 53 THR H H 53 8.927 8.927 9.125 -0.198 17840 6389 1 20 . 1 1 54 54 VAL N N 54 124.587 124.587 124.943 -0.356 17840 6390 1 20 . 1 1 54 54 VAL HA H 54 4.427 4.427 3.988 0.439 17840 6391 1 20 . 1 1 54 54 VAL C C 54 172.873 172.873 175.702 -2.829 17840 6392 1 20 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.388 -0.769 17840 6393 1 20 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.506 1.156 17840 6394 1 20 . 1 1 54 54 VAL H H 54 8.302 8.302 8.015 0.287 17840 6395 1 20 . 1 1 55 55 THR N N 55 124.116 124.116 122.289 1.827 17840 6396 1 20 . 1 1 55 55 THR HA H 55 4.769 4.769 4.711 0.058 17840 6397 1 20 . 1 1 55 55 THR C C 55 173.294 173.294 173.962 -0.668 17840 6398 1 20 . 1 1 55 55 THR CA C 55 61.698 61.698 60.706 0.992 17840 6399 1 20 . 1 1 55 55 THR CB C 55 71.382 71.382 69.802 1.580 17840 6400 1 20 . 1 1 55 55 THR H H 55 8.229 8.229 7.938 0.291 17840 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 54 2.567 0.098 2.589 17840 2 1 1 "Average Difference" HA 52 0.420 0.054 0.421 17840 3 1 1 "Average Difference" C 54 1.373 0.343 1.342 17840 4 1 1 "Average Difference" CA 54 1.208 -0.132 1.212 17840 5 1 1 "Average Difference" CB 52 1.187 0.074 1.196 17840 6 1 1 "Average Difference" HN 54 0.623 0.146 0.612 17840 7 1 2 "Average Difference" N 54 2.823 0.247 2.839 17840 8 1 2 "Average Difference" HA 52 0.374 0.050 0.374 17840 9 1 2 "Average Difference" C 54 1.316 0.268 1.300 17840 10 1 2 "Average Difference" CA 54 1.121 -0.189 1.115 17840 11 1 2 "Average Difference" CB 52 1.186 0.095 1.194 17840 12 1 2 "Average Difference" HN 54 0.591 0.050 0.594 17840 13 1 3 "Average Difference" N 54 2.654 0.310 2.661 17840 14 1 3 "Average Difference" HA 52 0.378 0.043 0.379 17840 15 1 3 "Average Difference" C 54 1.322 0.282 1.304 17840 16 1 3 "Average Difference" CA 54 1.032 -0.076 1.039 17840 17 1 3 "Average Difference" CB 52 1.184 0.184 1.181 17840 18 1 3 "Average Difference" HN 54 0.563 0.085 0.561 17840 19 1 4 "Average Difference" N 54 2.834 -0.112 2.858 17840 20 1 4 "Average Difference" HA 52 0.427 0.077 0.425 17840 21 1 4 "Average Difference" C 54 1.342 0.318 1.316 17840 22 1 4 "Average Difference" CA 54 1.184 -0.134 1.188 17840 23 1 4 "Average Difference" CB 52 1.272 0.117 1.279 17840 24 1 4 "Average Difference" HN 54 0.638 0.069 0.640 17840 25 1 5 "Average Difference" N 54 3.045 0.144 3.071 17840 26 1 5 "Average Difference" HA 52 0.423 0.061 0.423 17840 27 1 5 "Average Difference" C 54 1.419 0.360 1.385 17840 28 1 5 "Average Difference" CA 54 1.212 -0.065 1.221 17840 29 1 5 "Average Difference" CB 52 1.143 0.055 1.153 17840 30 1 5 "Average Difference" HN 54 0.606 0.114 0.601 17840 31 1 6 "Average Difference" N 54 3.388 0.293 3.407 17840 32 1 6 "Average Difference" HA 52 0.419 0.061 0.419 17840 33 1 6 "Average Difference" C 54 1.384 0.386 1.341 17840 34 1 6 "Average Difference" CA 54 1.038 -0.115 1.042 17840 35 1 6 "Average Difference" CB 52 1.269 0.169 1.270 17840 36 1 6 "Average Difference" HN 54 0.578 0.095 0.576 17840 37 1 7 "Average Difference" N 54 2.848 0.249 2.864 17840 38 1 7 "Average Difference" HA 52 0.391 0.070 0.388 17840 39 1 7 "Average Difference" C 54 1.323 0.313 1.298 17840 40 1 7 "Average Difference" CA 54 1.131 -0.111 1.136 17840 41 1 7 "Average Difference" CB 52 1.181 0.045 1.191 17840 42 1 7 "Average Difference" HN 54 0.593 0.081 0.592 17840 43 1 8 "Average Difference" N 54 3.566 0.406 3.576 17840 44 1 8 "Average Difference" HA 52 0.458 0.039 0.461 17840 45 1 8 "Average Difference" C 54 1.420 0.271 1.407 17840 46 1 8 "Average Difference" CA 54 1.202 -0.076 1.210 17840 47 1 8 "Average Difference" CB 52 1.321 0.139 1.326 17840 48 1 8 "Average Difference" HN 54 0.668 0.107 0.665 17840 49 1 9 "Average Difference" N 54 3.111 0.484 3.101 17840 50 1 9 "Average Difference" HA 52 0.376 0.055 0.376 17840 51 1 9 "Average Difference" C 54 1.375 0.210 1.372 17840 52 1 9 "Average Difference" CA 54 1.218 -0.130 1.222 17840 53 1 9 "Average Difference" CB 52 1.226 0.140 1.229 17840 54 1 9 "Average Difference" HN 54 0.567 0.098 0.564 17840 55 1 10 "Average Difference" N 54 3.470 -0.244 3.494 17840 56 1 10 "Average Difference" HA 52 0.425 0.040 0.427 17840 57 1 10 "Average Difference" C 54 1.376 0.236 1.368 17840 58 1 10 "Average Difference" CA 54 1.228 -0.168 1.228 17840 59 1 10 "Average Difference" CB 52 1.307 0.148 1.311 17840 60 1 10 "Average Difference" HN 54 0.675 0.099 0.674 17840 61 1 11 "Average Difference" N 54 3.271 0.082 3.301 17840 62 1 11 "Average Difference" HA 52 0.415 0.065 0.413 17840 63 1 11 "Average Difference" C 54 1.346 0.240 1.336 17840 64 1 11 "Average Difference" CA 54 1.290 -0.107 1.297 17840 65 1 11 "Average Difference" CB 52 1.263 0.182 1.262 17840 66 1 11 "Average Difference" HN 54 0.582 0.055 0.585 17840 67 1 12 "Average Difference" N 54 3.144 0.777 3.075 17840 68 1 12 "Average Difference" HA 52 0.383 0.046 0.384 17840 69 1 12 "Average Difference" C 54 1.269 0.283 1.248 17840 70 1 12 "Average Difference" CA 54 1.053 -0.088 1.059 17840 71 1 12 "Average Difference" CB 52 1.292 0.182 1.291 17840 72 1 12 "Average Difference" HN 54 0.567 0.123 0.558 17840 73 1 13 "Average Difference" N 54 3.748 0.582 3.737 17840 74 1 13 "Average Difference" HA 52 0.392 0.053 0.392 17840 75 1 13 "Average Difference" C 54 1.415 0.283 1.400 17840 76 1 13 "Average Difference" CA 54 1.245 -0.100 1.253 17840 77 1 13 "Average Difference" CB 52 1.276 0.070 1.287 17840 78 1 13 "Average Difference" HN 54 0.610 0.070 0.612 17840 79 1 14 "Average Difference" N 54 2.813 0.106 2.837 17840 80 1 14 "Average Difference" HA 52 0.443 0.073 0.441 17840 81 1 14 "Average Difference" C 54 1.359 0.275 1.344 17840 82 1 14 "Average Difference" CA 54 1.311 -0.068 1.322 17840 83 1 14 "Average Difference" CB 52 1.207 0.222 1.198 17840 84 1 14 "Average Difference" HN 54 0.636 0.137 0.627 17840 85 1 15 "Average Difference" N 54 3.142 0.216 3.164 17840 86 1 15 "Average Difference" HA 52 0.356 0.095 0.346 17840 87 1 15 "Average Difference" C 54 1.368 0.225 1.362 17840 88 1 15 "Average Difference" CA 54 1.189 -0.150 1.190 17840 89 1 15 "Average Difference" CB 52 1.187 0.234 1.175 17840 90 1 15 "Average Difference" HN 54 0.579 0.122 0.572 17840 91 1 16 "Average Difference" N 54 3.299 0.559 3.282 17840 92 1 16 "Average Difference" HA 52 0.367 0.050 0.367 17840 93 1 16 "Average Difference" C 54 1.402 0.343 1.372 17840 94 1 16 "Average Difference" CA 54 1.010 -0.064 1.017 17840 95 1 16 "Average Difference" CB 52 1.197 0.079 1.206 17840 96 1 16 "Average Difference" HN 54 0.617 0.097 0.615 17840 97 1 17 "Average Difference" N 54 3.610 0.433 3.618 17840 98 1 17 "Average Difference" HA 52 0.459 0.066 0.459 17840 99 1 17 "Average Difference" C 54 1.307 0.148 1.310 17840 100 1 17 "Average Difference" CA 54 1.217 -0.075 1.226 17840 101 1 17 "Average Difference" CB 52 1.380 0.131 1.387 17840 102 1 17 "Average Difference" HN 54 0.698 0.171 0.683 17840 103 1 18 "Average Difference" N 54 3.151 -0.059 3.180 17840 104 1 18 "Average Difference" HA 52 0.408 0.045 0.409 17840 105 1 18 "Average Difference" C 54 1.321 0.304 1.298 17840 106 1 18 "Average Difference" CA 54 1.188 -0.066 1.197 17840 107 1 18 "Average Difference" CB 52 1.186 0.096 1.194 17840 108 1 18 "Average Difference" HN 54 0.595 0.002 0.600 17840 109 1 19 "Average Difference" N 54 3.121 -0.346 3.131 17840 110 1 19 "Average Difference" HA 52 0.432 0.114 0.420 17840 111 1 19 "Average Difference" C 54 1.413 0.334 1.386 17840 112 1 19 "Average Difference" CA 54 1.130 -0.192 1.124 17840 113 1 19 "Average Difference" CB 52 1.247 0.232 1.237 17840 114 1 19 "Average Difference" HN 54 0.620 0.101 0.617 17840 115 1 20 "Average Difference" N 54 3.454 0.550 3.442 17840 116 1 20 "Average Difference" HA 52 0.406 0.053 0.406 17840 117 1 20 "Average Difference" C 54 1.356 0.227 1.350 17840 118 1 20 "Average Difference" CA 54 1.117 -0.183 1.112 17840 119 1 20 "Average Difference" CB 52 1.257 0.148 1.260 17840 120 1 20 "Average Difference" HN 54 0.617 0.158 0.602 17840 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 17840 _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 THR N N 2 123.900 123.900 118.718 5.182 17840 2 1 . 1 1 2 2 THR HA H 2 4.311 4.311 4.485 -0.174 17840 3 1 . 1 1 2 2 THR C C 2 172.130 172.130 173.503 -1.373 17840 4 1 . 1 1 2 2 THR CA C 2 63.855 63.855 62.178 1.677 17840 5 1 . 1 1 2 2 THR CB C 2 68.688 68.688 69.222 -0.534 17840 6 1 . 1 1 2 2 THR H H 2 8.670 8.670 8.334 0.336 17840 7 1 . 1 1 3 3 TYR N N 3 127.206 127.206 127.752 -0.546 17840 8 1 . 1 1 3 3 TYR HA H 3 5.361 5.361 5.128 0.233 17840 9 1 . 1 1 3 3 TYR C C 3 173.427 173.427 174.590 -1.163 17840 10 1 . 1 1 3 3 TYR CA C 3 57.953 57.953 57.603 0.350 17840 11 1 . 1 1 3 3 TYR CB C 3 43.108 43.108 42.341 0.767 17840 12 1 . 1 1 3 3 TYR H H 3 8.657 8.657 8.814 -0.158 17840 13 1 . 1 1 4 4 LYS N N 4 120.377 120.377 123.817 -3.440 17840 14 1 . 1 1 4 4 LYS HA H 4 5.401 5.401 5.470 -0.069 17840 15 1 . 1 1 4 4 LYS C C 4 172.296 172.296 174.475 -2.179 17840 16 1 . 1 1 4 4 LYS CA C 4 54.660 54.660 54.508 0.152 17840 17 1 . 1 1 4 4 LYS CB C 4 35.950 35.950 36.812 -0.862 17840 18 1 . 1 1 4 4 LYS H H 4 8.599 8.599 8.391 0.208 17840 19 1 . 1 1 5 5 LEU N N 5 126.484 126.484 121.803 4.681 17840 20 1 . 1 1 5 5 LEU HA H 5 5.023 5.023 5.450 -0.427 17840 21 1 . 1 1 5 5 LEU C C 5 174.359 174.359 174.874 -0.515 17840 22 1 . 1 1 5 5 LEU CA C 5 52.537 52.537 53.356 -0.819 17840 23 1 . 1 1 5 5 LEU CB C 5 44.162 44.162 46.321 -2.159 17840 24 1 . 1 1 5 5 LEU H H 5 8.781 8.781 8.424 0.357 17840 25 1 . 1 1 6 6 ILE N N 6 126.235 126.235 122.826 3.409 17840 26 1 . 1 1 6 6 ILE HA H 6 4.368 4.368 4.920 -0.552 17840 27 1 . 1 1 6 6 ILE C C 6 173.982 173.982 174.693 -0.711 17840 28 1 . 1 1 6 6 ILE CA C 6 60.462 60.462 59.734 0.728 17840 29 1 . 1 1 6 6 ILE CB C 6 38.716 38.716 39.520 -0.804 17840 30 1 . 1 1 6 6 ILE H H 6 8.895 8.895 8.438 0.457 17840 31 1 . 1 1 7 7 LEU N N 7 125.986 125.986 127.849 -1.863 17840 32 1 . 1 1 7 7 LEU HA H 7 4.397 4.397 4.688 -0.291 17840 33 1 . 1 1 7 7 LEU C C 7 173.915 173.915 175.396 -1.480 17840 34 1 . 1 1 7 7 LEU CA C 7 53.629 53.629 53.797 -0.168 17840 35 1 . 1 1 7 7 LEU CB C 7 41.312 41.312 43.323 -2.011 17840 36 1 . 1 1 7 7 LEU H H 7 8.627 8.627 8.026 0.601 17840 37 1 . 1 1 8 8 ASN N N 8 125.244 125.244 121.455 3.789 17840 38 1 . 1 1 8 8 ASN HA H 8 5.070 5.070 5.075 -0.005 17840 39 1 . 1 1 8 8 ASN C C 8 173.960 173.960 174.151 -0.191 17840 40 1 . 1 1 8 8 ASN CA C 8 51.813 51.813 52.629 -0.816 17840 41 1 . 1 1 8 8 ASN CB C 8 37.862 37.862 40.524 -2.662 17840 42 1 . 1 1 8 8 ASN H H 8 8.762 8.762 8.765 -0.003 17840 43 1 . 1 1 9 9 LEU N N 9 121.294 121.294 122.179 -0.885 17840 44 1 . 1 1 9 9 LEU HA H 9 4.633 4.633 4.731 -0.098 17840 45 1 . 1 1 9 9 LEU C C 9 176.821 176.821 176.737 0.084 17840 46 1 . 1 1 9 9 LEU CA C 9 53.418 53.418 54.419 -1.001 17840 47 1 . 1 1 9 9 LEU CB C 9 41.422 41.422 43.158 -1.736 17840 48 1 . 1 1 9 9 LEU H H 9 7.409 7.409 8.307 -0.898 17840 49 1 . 1 1 10 10 LYS N N 10 120.567 120.567 119.685 0.882 17840 50 1 . 1 1 10 10 LYS HA H 10 3.936 3.936 4.131 -0.195 17840 51 1 . 1 1 10 10 LYS C C 10 179.217 179.217 176.884 2.333 17840 52 1 . 1 1 10 10 LYS CA C 10 59.712 59.712 57.738 1.974 17840 53 1 . 1 1 10 10 LYS CB C 10 31.806 31.806 32.191 -0.385 17840 54 1 . 1 1 10 10 LYS H H 10 8.935 8.935 8.351 0.584 17840 55 1 . 1 1 11 11 GLN N N 11 112.875 112.875 117.894 -5.019 17840 56 1 . 1 1 11 11 GLN HA H 11 4.311 4.311 4.234 0.077 17840 57 1 . 1 1 11 11 GLN C C 11 174.891 174.891 175.127 -0.236 17840 58 1 . 1 1 11 11 GLN CA C 11 55.966 55.966 56.683 -0.717 17840 59 1 . 1 1 11 11 GLN CB C 11 29.158 29.158 29.694 -0.536 17840 60 1 . 1 1 11 11 GLN H H 11 8.296 8.296 8.327 -0.031 17840 61 1 . 1 1 12 12 ALA N N 12 119.661 119.661 123.007 -3.346 17840 62 1 . 1 1 12 12 ALA HA H 12 4.325 4.325 4.359 -0.034 17840 63 1 . 1 1 12 12 ALA C C 12 173.760 173.760 175.888 -2.128 17840 64 1 . 1 1 12 12 ALA CA C 12 52.509 52.509 51.949 0.560 17840 65 1 . 1 1 12 12 ALA CB C 12 21.412 21.412 19.879 1.533 17840 66 1 . 1 1 12 12 ALA H H 12 6.849 6.849 7.917 -1.068 17840 67 1 . 1 1 13 13 LYS N N 13 119.342 119.342 121.142 -1.800 17840 68 1 . 1 1 13 13 LYS HA H 13 5.271 5.271 4.908 0.363 17840 69 1 . 1 1 13 13 LYS C C 13 175.801 175.801 175.745 0.056 17840 70 1 . 1 1 13 13 LYS CA C 13 55.135 55.135 55.148 -0.013 17840 71 1 . 1 1 13 13 LYS CB C 13 33.692 33.692 34.173 -0.482 17840 72 1 . 1 1 13 13 LYS H H 13 8.050 8.050 8.194 -0.144 17840 73 1 . 1 1 14 14 GLU N N 14 123.266 123.266 121.783 1.483 17840 74 1 . 1 1 14 14 GLU HA H 14 4.739 4.739 4.528 0.211 17840 75 1 . 1 1 14 14 GLU C C 14 173.316 173.316 175.063 -1.747 17840 76 1 . 1 1 14 14 GLU CA C 14 54.842 54.842 55.264 -0.422 17840 77 1 . 1 1 14 14 GLU CB C 14 34.360 34.360 32.354 2.006 17840 78 1 . 1 1 14 14 GLU H H 14 8.327 8.327 8.941 -0.614 17840 79 1 . 1 1 15 15 GLU N N 15 119.898 119.898 120.505 -0.607 17840 80 1 . 1 1 15 15 GLU HA H 15 5.509 5.509 5.413 0.096 17840 81 1 . 1 1 15 15 GLU C C 15 174.270 174.270 175.096 -0.826 17840 82 1 . 1 1 15 15 GLU CA C 15 54.655 54.655 55.219 -0.564 17840 83 1 . 1 1 15 15 GLU CB C 15 34.031 34.031 32.998 1.033 17840 84 1 . 1 1 15 15 GLU H H 15 8.386 8.386 8.555 -0.169 17840 85 1 . 1 1 16 16 ALA N N 16 125.415 125.415 126.267 -0.852 17840 86 1 . 1 1 16 16 ALA HA H 16 4.874 4.874 4.777 0.097 17840 87 1 . 1 1 16 16 ALA C C 16 174.403 174.403 175.027 -0.624 17840 88 1 . 1 1 16 16 ALA CA C 16 51.364 51.364 51.828 -0.464 17840 89 1 . 1 1 16 16 ALA CB C 16 22.496 22.496 21.753 0.743 17840 90 1 . 1 1 16 16 ALA H H 16 8.911 8.911 8.334 0.577 17840 91 1 . 1 1 17 17 ILE N N 17 117.476 117.476 119.131 -1.655 17840 92 1 . 1 1 17 17 ILE HA H 17 5.468 5.468 5.155 0.314 17840 93 1 . 1 1 17 17 ILE C C 17 175.712 175.712 175.089 0.623 17840 94 1 . 1 1 17 17 ILE CA C 17 59.873 59.873 60.312 -0.439 17840 95 1 . 1 1 17 17 ILE CB C 17 42.163 42.163 40.575 1.588 17840 96 1 . 1 1 17 17 ILE H H 17 8.329 8.329 8.399 -0.070 17840 97 1 . 1 1 18 18 LYS N N 18 125.884 125.884 127.106 -1.222 17840 98 1 . 1 1 18 18 LYS HA H 18 4.420 4.420 4.675 -0.255 17840 99 1 . 1 1 18 18 LYS C C 18 172.873 172.873 174.923 -2.050 17840 100 1 . 1 1 18 18 LYS CA C 18 55.119 55.119 55.164 -0.045 17840 101 1 . 1 1 18 18 LYS CB C 18 37.230 37.230 35.236 1.994 17840 102 1 . 1 1 18 18 LYS H H 18 9.050 9.050 9.264 -0.214 17840 103 1 . 1 1 19 19 GLU N N 19 128.105 128.105 126.402 1.703 17840 104 1 . 1 1 19 19 GLU HA H 19 4.973 4.973 4.918 0.055 17840 105 1 . 1 1 19 19 GLU C C 19 175.135 175.135 175.287 -0.152 17840 106 1 . 1 1 19 19 GLU CA C 19 55.400 55.400 55.769 -0.368 17840 107 1 . 1 1 19 19 GLU CB C 19 29.316 29.316 29.923 -0.607 17840 108 1 . 1 1 19 19 GLU H H 19 8.241 8.241 8.649 -0.408 17840 109 1 . 1 1 20 20 LEU N N 20 127.206 127.206 126.320 0.886 17840 110 1 . 1 1 20 20 LEU HA H 20 4.215 4.215 4.618 -0.403 17840 111 1 . 1 1 20 20 LEU C C 20 177.531 177.531 176.882 0.649 17840 112 1 . 1 1 20 20 LEU CA C 20 53.206 53.206 53.911 -0.705 17840 113 1 . 1 1 20 20 LEU CB C 20 45.684 45.684 44.083 1.601 17840 114 1 . 1 1 20 20 LEU H H 20 8.563 8.563 8.236 0.327 17840 115 1 . 1 1 21 21 VAL N N 21 116.204 116.204 117.452 -1.248 17840 116 1 . 1 1 21 21 VAL HA H 21 4.014 4.014 4.086 -0.072 17840 117 1 . 1 1 21 21 VAL C C 21 175.002 175.002 175.414 -0.412 17840 118 1 . 1 1 21 21 VAL CA C 21 65.334 65.334 63.479 1.855 17840 119 1 . 1 1 21 21 VAL CB C 21 31.927 31.927 32.128 -0.201 17840 120 1 . 1 1 21 21 VAL H H 21 8.094 8.094 8.413 -0.319 17840 121 1 . 1 1 22 22 ASP N N 22 114.375 114.375 118.856 -4.481 17840 122 1 . 1 1 22 22 ASP HA H 22 4.838 4.838 4.768 0.070 17840 123 1 . 1 1 22 22 ASP C C 22 174.536 174.536 175.373 -0.837 17840 124 1 . 1 1 22 22 ASP CA C 22 53.147 53.147 53.765 -0.618 17840 125 1 . 1 1 22 22 ASP CB C 22 42.692 42.692 43.283 -0.591 17840 126 1 . 1 1 22 22 ASP H H 22 6.862 6.862 7.685 -0.823 17840 127 1 . 1 1 23 23 ALA N N 23 121.084 121.084 122.912 -1.828 17840 128 1 . 1 1 23 23 ALA HA H 23 3.000 3.000 4.527 -1.527 17840 129 1 . 1 1 23 23 ALA C C 23 180.082 180.082 178.306 1.776 17840 130 1 . 1 1 23 23 ALA CA C 23 54.843 54.843 53.360 1.483 17840 131 1 . 1 1 23 23 ALA CB C 23 17.620 17.620 19.535 -1.915 17840 132 1 . 1 1 23 23 ALA H H 23 8.389 8.389 8.491 -0.102 17840 133 1 . 1 1 24 24 GLY N N 24 108.035 108.035 108.000 0.035 17840 134 1 . 1 1 24 24 GLY C C 24 176.910 176.910 175.555 1.355 17840 135 1 . 1 1 24 24 GLY CA C 24 47.033 47.033 46.745 0.288 17840 136 1 . 1 1 24 24 GLY H H 24 8.391 8.391 8.251 0.140 17840 137 1 . 1 1 25 25 THR N N 25 120.237 120.237 117.502 2.735 17840 138 1 . 1 1 25 25 THR HA H 25 4.000 4.000 4.014 -0.014 17840 139 1 . 1 1 25 25 THR C C 25 176.555 176.555 176.502 0.053 17840 140 1 . 1 1 25 25 THR CA C 25 66.900 66.900 66.066 0.834 17840 141 1 . 1 1 25 25 THR CB C 25 68.095 68.095 68.457 -0.362 17840 142 1 . 1 1 25 25 THR H H 25 8.071 8.071 8.051 0.020 17840 143 1 . 1 1 26 26 ALA N N 26 124.685 124.685 122.802 1.883 17840 144 1 . 1 1 26 26 ALA HA H 26 3.461 3.461 4.058 -0.597 17840 145 1 . 1 1 26 26 ALA C C 26 175.734 175.734 179.053 -3.319 17840 146 1 . 1 1 26 26 ALA CA C 26 52.843 52.843 54.675 -1.832 17840 147 1 . 1 1 26 26 ALA CB C 26 17.402 17.402 17.947 -0.545 17840 148 1 . 1 1 26 26 ALA H H 26 7.444 7.444 7.913 -0.469 17840 149 1 . 1 1 27 27 GLU N N 27 119.278 119.278 118.462 0.816 17840 150 1 . 1 1 27 27 GLU HA H 27 2.797 2.797 4.101 -1.304 17840 151 1 . 1 1 27 27 GLU C C 27 177.131 177.131 178.855 -1.724 17840 152 1 . 1 1 27 27 GLU CA C 27 60.137 60.137 59.251 0.887 17840 153 1 . 1 1 27 27 GLU CB C 27 29.227 29.227 29.314 -0.087 17840 154 1 . 1 1 27 27 GLU H H 27 8.121 8.121 7.612 0.509 17840 155 1 . 1 1 28 28 LYS N N 28 115.377 115.377 119.905 -4.528 17840 156 1 . 1 1 28 28 LYS HA H 28 3.640 3.640 4.105 -0.465 17840 157 1 . 1 1 28 28 LYS C C 28 178.640 178.640 178.846 -0.206 17840 158 1 . 1 1 28 28 LYS CA C 28 59.851 59.851 59.282 0.569 17840 159 1 . 1 1 28 28 LYS CB C 28 32.406 32.406 32.563 -0.157 17840 160 1 . 1 1 28 28 LYS H H 28 6.847 6.847 8.156 -1.309 17840 161 1 . 1 1 29 29 TYR N N 29 119.713 119.713 120.998 -1.285 17840 162 1 . 1 1 29 29 TYR HA H 29 4.109 4.109 4.120 -0.011 17840 163 1 . 1 1 29 29 TYR C C 29 177.619 177.619 178.054 -0.435 17840 164 1 . 1 1 29 29 TYR CA C 29 61.273 61.273 61.995 -0.722 17840 165 1 . 1 1 29 29 TYR CB C 29 37.974 37.974 38.469 -0.495 17840 166 1 . 1 1 29 29 TYR H H 29 7.358 7.358 8.012 -0.654 17840 167 1 . 1 1 30 30 PHE N N 30 117.565 117.565 117.429 0.136 17840 168 1 . 1 1 30 30 PHE HA H 30 4.507 4.507 4.300 0.207 17840 169 1 . 1 1 30 30 PHE C C 30 178.507 178.507 178.004 0.503 17840 170 1 . 1 1 30 30 PHE CA C 30 57.562 57.562 60.169 -2.607 17840 171 1 . 1 1 30 30 PHE CB C 30 37.623 37.623 38.669 -1.046 17840 172 1 . 1 1 30 30 PHE H H 30 8.601 8.601 8.222 0.379 17840 173 1 . 1 1 31 31 LYS N N 31 121.534 121.534 120.571 0.963 17840 174 1 . 1 1 31 31 LYS HA H 31 4.018 4.018 4.181 -0.164 17840 175 1 . 1 1 31 31 LYS C C 31 178.751 178.751 179.119 -0.368 17840 176 1 . 1 1 31 31 LYS CA C 31 59.959 59.959 59.524 0.435 17840 177 1 . 1 1 31 31 LYS CB C 31 31.704 31.704 32.272 -0.568 17840 178 1 . 1 1 31 31 LYS H H 31 8.310 8.310 7.687 0.623 17840 179 1 . 1 1 32 32 LEU N N 32 118.368 118.368 121.198 -2.830 17840 180 1 . 1 1 32 32 LEU HA H 32 4.126 4.126 4.024 0.102 17840 181 1 . 1 1 32 32 LEU C C 32 180.636 180.636 178.689 1.947 17840 182 1 . 1 1 32 32 LEU CA C 32 58.090 58.090 58.261 -0.171 17840 183 1 . 1 1 32 32 LEU CB C 32 41.297 41.297 41.969 -0.672 17840 184 1 . 1 1 32 32 LEU H H 32 6.890 6.890 8.077 -1.187 17840 185 1 . 1 1 33 33 ILE N N 33 118.866 118.866 119.463 -0.597 17840 186 1 . 1 1 33 33 ILE HA H 33 3.697 3.697 3.612 0.085 17840 187 1 . 1 1 33 33 ILE C C 33 178.485 178.485 177.423 1.062 17840 188 1 . 1 1 33 33 ILE CA C 33 63.884 63.884 63.656 0.228 17840 189 1 . 1 1 33 33 ILE CB C 33 37.514 37.514 37.643 -0.129 17840 190 1 . 1 1 33 33 ILE H H 33 6.985 6.985 7.749 -0.764 17840 191 1 . 1 1 34 34 ALA N N 34 121.160 121.160 121.581 -0.421 17840 192 1 . 1 1 34 34 ALA HA H 34 3.939 3.939 3.906 0.033 17840 193 1 . 1 1 34 34 ALA C C 34 179.372 179.372 179.420 -0.048 17840 194 1 . 1 1 34 34 ALA CA C 34 55.233 55.233 55.454 -0.221 17840 195 1 . 1 1 34 34 ALA CB C 34 18.674 18.674 18.120 0.554 17840 196 1 . 1 1 34 34 ALA H H 34 8.312 8.312 8.139 0.173 17840 197 1 . 1 1 35 35 ASN N N 35 116.166 116.166 116.204 -0.037 17840 198 1 . 1 1 35 35 ASN HA H 35 4.586 4.586 4.596 -0.010 17840 199 1 . 1 1 35 35 ASN C C 35 173.871 173.871 176.577 -2.706 17840 200 1 . 1 1 35 35 ASN CA C 35 55.695 55.695 55.702 -0.007 17840 201 1 . 1 1 35 35 ASN CB C 35 38.131 38.131 38.540 -0.409 17840 202 1 . 1 1 35 35 ASN H H 35 8.222 8.222 8.024 0.198 17840 203 1 . 1 1 36 36 ALA N N 36 121.269 121.269 120.858 0.411 17840 204 1 . 1 1 36 36 ALA HA H 36 4.280 4.280 4.339 -0.059 17840 205 1 . 1 1 36 36 ALA C C 36 178.507 178.507 178.573 -0.066 17840 206 1 . 1 1 36 36 ALA CA C 36 54.083 54.083 53.528 0.555 17840 207 1 . 1 1 36 36 ALA CB C 36 18.911 18.911 19.101 -0.190 17840 208 1 . 1 1 36 36 ALA H H 36 7.397 7.397 7.608 -0.211 17840 209 1 . 1 1 37 37 LYS N N 37 116.114 116.114 118.493 -2.379 17840 210 1 . 1 1 37 37 LYS HA H 37 4.306 4.306 4.268 0.038 17840 211 1 . 1 1 37 37 LYS C C 37 175.401 175.401 177.205 -1.804 17840 212 1 . 1 1 37 37 LYS CA C 37 56.263 56.263 57.716 -1.453 17840 213 1 . 1 1 37 37 LYS CB C 37 33.931 33.931 33.504 0.427 17840 214 1 . 1 1 37 37 LYS H H 37 7.371 7.371 8.073 -0.702 17840 215 1 . 1 1 38 38 THR N N 38 113.187 113.187 112.485 0.702 17840 216 1 . 1 1 38 38 THR HA H 38 4.300 4.300 4.504 -0.204 17840 217 1 . 1 1 38 38 THR C C 38 173.139 173.139 172.825 0.314 17840 218 1 . 1 1 38 38 THR CA C 38 61.530 61.530 61.724 -0.194 17840 219 1 . 1 1 38 38 THR CB C 38 69.468 69.468 70.479 -1.011 17840 220 1 . 1 1 38 38 THR H H 38 7.812 7.812 7.934 -0.122 17840 221 1 . 1 1 39 39 VAL N N 39 122.490 122.490 119.947 2.543 17840 222 1 . 1 1 39 39 VAL HA H 39 4.252 4.252 4.467 -0.215 17840 223 1 . 1 1 39 39 VAL C C 39 174.869 174.869 174.378 0.491 17840 224 1 . 1 1 39 39 VAL CA C 39 62.510 62.510 62.164 0.346 17840 225 1 . 1 1 39 39 VAL CB C 39 32.661 32.661 33.048 -0.387 17840 226 1 . 1 1 39 39 VAL H H 39 8.091 8.091 8.159 -0.068 17840 227 1 . 1 1 40 40 GLU N N 40 124.998 124.998 125.852 -0.854 17840 228 1 . 1 1 40 40 GLU HA H 40 4.544 4.544 4.533 0.011 17840 229 1 . 1 1 40 40 GLU C C 40 174.913 174.913 175.829 -0.916 17840 230 1 . 1 1 40 40 GLU CA C 40 55.397 55.397 56.497 -1.100 17840 231 1 . 1 1 40 40 GLU CB C 40 30.497 30.497 30.753 -0.256 17840 232 1 . 1 1 40 40 GLU H H 40 8.479 8.479 8.750 -0.271 17840 233 1 . 1 1 41 41 GLY N N 41 107.295 107.295 109.000 -1.705 17840 234 1 . 1 1 41 41 GLY C C 41 174.558 174.558 173.190 1.368 17840 235 1 . 1 1 41 41 GLY CA C 41 45.301 45.301 45.039 0.262 17840 236 1 . 1 1 41 41 GLY H H 41 7.868 7.868 8.054 -0.186 17840 237 1 . 1 1 42 42 VAL N N 42 120.789 120.789 121.179 -0.390 17840 238 1 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.549 -0.165 17840 239 1 . 1 1 42 42 VAL C C 42 176.399 176.399 174.427 1.972 17840 240 1 . 1 1 42 42 VAL CA C 42 62.467 62.467 60.553 1.914 17840 241 1 . 1 1 42 42 VAL CB C 42 33.393 33.393 34.413 -1.020 17840 242 1 . 1 1 42 42 VAL H H 42 8.087 8.087 7.978 0.109 17840 243 1 . 1 1 43 43 TRP N N 43 130.892 130.892 127.261 3.631 17840 244 1 . 1 1 43 43 TRP HA H 43 5.248 5.248 5.104 0.144 17840 245 1 . 1 1 43 43 TRP C C 43 176.821 176.821 176.126 0.695 17840 246 1 . 1 1 43 43 TRP CA C 43 58.026 58.026 56.474 1.553 17840 247 1 . 1 1 43 43 TRP CB C 43 29.775 29.775 30.729 -0.954 17840 248 1 . 1 1 43 43 TRP H H 43 9.224 9.224 8.551 0.673 17840 249 1 . 1 1 44 44 THR N N 44 114.739 114.739 118.931 -4.193 17840 250 1 . 1 1 44 44 THR HA H 44 4.802 4.802 4.821 -0.019 17840 251 1 . 1 1 44 44 THR C C 44 171.963 171.963 172.603 -0.640 17840 252 1 . 1 1 44 44 THR CA C 44 60.996 60.996 60.845 0.151 17840 253 1 . 1 1 44 44 THR CB C 44 72.649 72.649 71.268 1.381 17840 254 1 . 1 1 44 44 THR H H 44 9.093 9.093 8.949 0.144 17840 255 1 . 1 1 45 45 TYR N N 45 121.068 121.068 123.175 -2.107 17840 256 1 . 1 1 45 45 TYR HA H 45 5.004 5.004 4.985 0.019 17840 257 1 . 1 1 45 45 TYR C C 45 173.472 173.472 173.997 -0.525 17840 258 1 . 1 1 45 45 TYR CA C 45 57.084 57.084 57.191 -0.107 17840 259 1 . 1 1 45 45 TYR CB C 45 41.234 41.234 41.921 -0.687 17840 260 1 . 1 1 45 45 TYR H H 45 8.474 8.474 8.578 -0.104 17840 261 1 . 1 1 46 46 LYS N N 46 128.497 128.497 125.511 2.986 17840 262 1 . 1 1 46 46 LYS HA H 46 4.333 4.333 4.470 -0.137 17840 263 1 . 1 1 46 46 LYS C C 46 174.847 174.847 175.125 -0.279 17840 264 1 . 1 1 46 46 LYS CA C 46 53.972 53.972 54.843 -0.871 17840 265 1 . 1 1 46 46 LYS CB C 46 33.847 33.847 34.208 -0.361 17840 266 1 . 1 1 46 46 LYS H H 46 7.144 7.144 7.778 -0.634 17840 267 1 . 1 1 47 47 ASP N N 47 126.400 126.400 124.777 1.623 17840 268 1 . 1 1 47 47 ASP HA H 47 4.004 4.004 4.473 -0.469 17840 269 1 . 1 1 47 47 ASP C C 47 179.191 179.191 176.444 2.747 17840 270 1 . 1 1 47 47 ASP CA C 47 57.428 57.428 54.924 2.504 17840 271 1 . 1 1 47 47 ASP CB C 47 42.288 42.288 40.793 1.495 17840 272 1 . 1 1 47 47 ASP H H 47 8.513 8.513 8.794 -0.281 17840 273 1 . 1 1 48 48 GLU N N 48 118.126 118.126 119.521 -1.395 17840 274 1 . 1 1 48 48 GLU HA H 48 4.073 4.073 4.177 -0.104 17840 275 1 . 1 1 48 48 GLU C C 48 176.976 176.976 176.566 0.410 17840 276 1 . 1 1 48 48 GLU CA C 48 60.040 60.040 57.925 2.115 17840 277 1 . 1 1 48 48 GLU CB C 48 28.657 28.657 29.825 -1.168 17840 278 1 . 1 1 48 48 GLU H H 48 9.618 9.618 8.348 1.270 17840 279 1 . 1 1 49 49 ILE N N 49 105.335 105.335 113.831 -8.496 17840 280 1 . 1 1 49 49 ILE HA H 49 4.619 4.619 4.196 0.423 17840 281 1 . 1 1 49 49 ILE C C 49 175.290 175.290 174.277 1.013 17840 282 1 . 1 1 49 49 ILE CA C 49 60.389 60.389 60.025 0.364 17840 283 1 . 1 1 49 49 ILE CB C 49 38.341 38.341 37.615 0.726 17840 284 1 . 1 1 49 49 ILE H H 49 6.187 6.187 7.576 -1.389 17840 285 1 . 1 1 50 50 LYS N N 50 124.144 124.144 118.656 5.488 17840 286 1 . 1 1 50 50 LYS HA H 50 4.173 4.173 3.634 0.539 17840 287 1 . 1 1 50 50 LYS C C 50 174.159 174.159 174.329 -0.170 17840 288 1 . 1 1 50 50 LYS CA C 50 55.916 55.916 56.865 -0.949 17840 289 1 . 1 1 50 50 LYS CB C 50 29.349 29.349 29.186 0.163 17840 290 1 . 1 1 50 50 LYS H H 50 7.659 7.659 7.926 -0.267 17840 291 1 . 1 1 51 51 THR N N 51 109.166 109.166 114.466 -5.300 17840 292 1 . 1 1 51 51 THR HA H 51 5.650 5.650 5.119 0.532 17840 293 1 . 1 1 51 51 THR C C 51 173.405 173.405 172.814 0.591 17840 294 1 . 1 1 51 51 THR CA C 51 62.262 62.262 61.075 1.187 17840 295 1 . 1 1 51 51 THR CB C 51 73.271 73.271 71.106 2.165 17840 296 1 . 1 1 51 51 THR H H 51 6.843 6.843 7.329 -0.486 17840 297 1 . 1 1 52 52 PHE N N 52 130.917 130.917 127.384 3.533 17840 298 1 . 1 1 52 52 PHE HA H 52 5.559 5.559 5.058 0.501 17840 299 1 . 1 1 52 52 PHE C C 52 173.627 173.627 174.715 -1.088 17840 300 1 . 1 1 52 52 PHE CA C 52 57.270 57.270 56.870 0.401 17840 301 1 . 1 1 52 52 PHE CB C 52 42.155 42.155 42.232 -0.077 17840 302 1 . 1 1 52 52 PHE H H 52 10.025 10.025 8.751 1.274 17840 303 1 . 1 1 53 53 THR N N 53 117.627 117.627 115.064 2.563 17840 304 1 . 1 1 53 53 THR HA H 53 5.217 5.217 4.723 0.494 17840 305 1 . 1 1 53 53 THR C C 53 171.586 171.586 172.754 -1.168 17840 306 1 . 1 1 53 53 THR CA C 53 61.724 61.724 60.834 0.890 17840 307 1 . 1 1 53 53 THR CB C 53 70.567 70.567 71.615 -1.048 17840 308 1 . 1 1 53 53 THR H H 53 8.927 8.927 9.278 -0.351 17840 309 1 . 1 1 54 54 VAL N N 54 124.587 124.587 124.946 -0.359 17840 310 1 . 1 1 54 54 VAL HA H 54 4.427 4.427 4.026 0.401 17840 311 1 . 1 1 54 54 VAL C C 54 172.873 172.873 175.448 -2.575 17840 312 1 . 1 1 54 54 VAL CA C 54 59.619 59.619 60.805 -1.186 17840 313 1 . 1 1 54 54 VAL CB C 54 32.662 32.662 31.894 0.768 17840 314 1 . 1 1 54 54 VAL H H 54 8.302 8.302 8.102 0.200 17840 315 1 . 1 1 55 55 THR N N 55 124.116 124.116 123.409 0.707 17840 316 1 . 1 1 55 55 THR HA H 55 4.769 4.769 4.928 -0.159 17840 317 1 . 1 1 55 55 THR C C 55 173.294 173.294 173.928 -0.634 17840 318 1 . 1 1 55 55 THR CA C 55 61.698 61.698 61.202 0.496 17840 319 1 . 1 1 55 55 THR CB C 55 71.382 71.382 70.340 1.042 17840 320 1 . 1 1 55 55 THR H H 55 8.229 8.229 8.265 -0.036 17840 stop_ save_