data_18098 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18098 _Entry.PDB_ID 2LM4 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 18098 _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 10 10 HIS HA H 10 4.642 4.642 4.851 -0.209 18098 2 1 1 . 1 1 10 10 HIS C C 10 174.891 174.891 175.384 -0.493 18098 3 1 1 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.262 0.768 18098 4 1 1 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.418 -0.305 18098 5 1 1 . 1 1 11 11 MET N N 11 121.211 121.211 124.195 -2.984 18098 6 1 1 . 1 1 11 11 MET HA H 11 4.417 4.417 4.650 -0.233 18098 7 1 1 . 1 1 11 11 MET C C 11 175.709 175.709 175.549 0.160 18098 8 1 1 . 1 1 11 11 MET CA C 11 55.405 55.405 55.633 -0.228 18098 9 1 1 . 1 1 11 11 MET CB C 11 32.776 32.776 30.953 1.823 18098 10 1 1 . 1 1 11 11 MET H H 11 8.179 8.179 8.914 -0.735 18098 11 1 1 . 1 1 12 12 ILE N N 12 122.511 122.511 126.538 -4.027 18098 12 1 1 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.201 -0.078 18098 13 1 1 . 1 1 12 12 ILE C C 12 175.809 175.809 175.625 0.184 18098 14 1 1 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.975 -0.173 18098 15 1 1 . 1 1 12 12 ILE CB C 12 38.531 38.531 37.321 1.210 18098 16 1 1 . 1 1 12 12 ILE H H 12 8.088 8.088 8.161 -0.073 18098 17 1 1 . 1 1 13 13 LYS N N 13 126.072 126.072 130.540 -4.468 18098 18 1 1 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.396 -0.068 18098 19 1 1 . 1 1 13 13 LYS C C 13 176.108 176.108 175.797 0.311 18098 20 1 1 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.150 -0.097 18098 21 1 1 . 1 1 13 13 LYS CB C 13 32.915 32.915 31.023 1.891 18098 22 1 1 . 1 1 13 13 LYS H H 13 8.381 8.381 8.579 -0.198 18098 23 1 1 . 1 1 14 14 ARG N N 14 123.714 123.714 123.753 -0.039 18098 24 1 1 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.646 -0.202 18098 25 1 1 . 1 1 14 14 ARG C C 14 176.428 176.428 175.422 1.006 18098 26 1 1 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.900 -0.158 18098 27 1 1 . 1 1 14 14 ARG CB C 14 30.781 30.781 32.671 -1.890 18098 28 1 1 . 1 1 14 14 ARG H H 14 8.484 8.484 7.797 0.687 18098 29 1 1 . 1 1 15 15 THR N N 15 115.338 115.338 116.633 -1.295 18098 30 1 1 . 1 1 15 15 THR HA H 15 4.367 4.367 4.634 -0.267 18098 31 1 1 . 1 1 15 15 THR C C 15 174.172 174.172 174.289 -0.117 18098 32 1 1 . 1 1 15 15 THR CA C 15 61.501 61.501 62.191 -0.690 18098 33 1 1 . 1 1 15 15 THR CB C 15 69.868 69.868 69.795 0.073 18098 34 1 1 . 1 1 15 15 THR H H 15 8.279 8.279 8.328 -0.049 18098 35 1 1 . 1 1 16 16 ASN N N 16 120.727 120.727 125.185 -4.458 18098 36 1 1 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.905 -0.227 18098 37 1 1 . 1 1 16 16 ASN C C 16 174.482 174.482 174.063 0.419 18098 38 1 1 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.505 -0.433 18098 39 1 1 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.201 -0.820 18098 40 1 1 . 1 1 16 16 ASN H H 16 8.612 8.612 8.512 0.100 18098 41 1 1 . 1 1 17 17 GLU N N 17 123.790 123.790 121.784 2.006 18098 42 1 1 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.597 0.004 18098 43 1 1 . 1 1 17 17 GLU C C 17 173.823 173.823 174.130 -0.307 18098 44 1 1 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.300 -0.334 18098 45 1 1 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.014 1.749 18098 46 1 1 . 1 1 17 17 GLU H H 17 8.113 8.113 7.966 0.147 18098 47 1 1 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.510 0.005 18098 48 1 1 . 1 1 18 18 PRO C C 18 177.709 177.709 176.712 0.997 18098 49 1 1 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.664 0.101 18098 50 1 1 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.371 0.110 18098 51 1 1 . 1 1 19 19 LEU N N 19 123.760 123.760 125.250 -1.490 18098 52 1 1 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.049 -0.043 18098 53 1 1 . 1 1 19 19 LEU C C 19 178.307 178.307 177.967 0.340 18098 54 1 1 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.888 0.575 18098 55 1 1 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.244 0.554 18098 56 1 1 . 1 1 19 19 LEU H H 19 8.720 8.720 8.523 0.197 18098 57 1 1 . 1 1 20 20 ASP N N 20 115.650 115.650 117.283 -1.633 18098 58 1 1 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.262 0.099 18098 59 1 1 . 1 1 20 20 ASP C C 20 179.531 179.531 178.392 1.139 18098 60 1 1 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.490 -0.403 18098 61 1 1 . 1 1 20 20 ASP CB C 20 39.321 39.321 39.698 -0.377 18098 62 1 1 . 1 1 20 20 ASP H H 20 8.829 8.829 8.850 -0.021 18098 63 1 1 . 1 1 21 21 LYS N N 21 121.462 121.462 120.394 1.068 18098 64 1 1 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.075 0.057 18098 65 1 1 . 1 1 21 21 LYS C C 21 178.421 178.421 178.905 -0.484 18098 66 1 1 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.912 -0.629 18098 67 1 1 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.227 -0.247 18098 68 1 1 . 1 1 21 21 LYS H H 21 7.352 7.352 7.439 -0.087 18098 69 1 1 . 1 1 22 22 LYS N N 22 123.296 123.296 120.398 2.898 18098 70 1 1 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.166 -0.176 18098 71 1 1 . 1 1 22 22 LYS C C 22 178.179 178.179 178.836 -0.657 18098 72 1 1 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.349 0.505 18098 73 1 1 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.316 0.471 18098 74 1 1 . 1 1 22 22 LYS H H 22 8.407 8.407 7.909 0.498 18098 75 1 1 . 1 1 23 23 ARG N N 23 116.950 116.950 119.120 -2.170 18098 76 1 1 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.999 -0.265 18098 77 1 1 . 1 1 23 23 ARG C C 23 177.460 177.460 178.569 -1.109 18098 78 1 1 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.336 1.169 18098 79 1 1 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.028 0.239 18098 80 1 1 . 1 1 23 23 ARG H H 23 8.594 8.594 8.097 0.497 18098 81 1 1 . 1 1 24 24 ALA N N 24 118.391 118.391 121.346 -2.955 18098 82 1 1 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.121 -0.077 18098 83 1 1 . 1 1 24 24 ALA C C 24 180.514 180.514 179.619 0.895 18098 84 1 1 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.999 0.070 18098 85 1 1 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.162 -0.228 18098 86 1 1 . 1 1 24 24 ALA H H 24 7.505 7.505 8.082 -0.577 18098 87 1 1 . 1 1 25 25 ARG N N 25 120.413 120.413 119.505 0.908 18098 88 1 1 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.176 0.031 18098 89 1 1 . 1 1 25 25 ARG C C 25 178.058 178.058 178.667 -0.609 18098 90 1 1 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.401 -0.008 18098 91 1 1 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.352 -0.740 18098 92 1 1 . 1 1 25 25 ARG H H 25 8.291 8.291 7.910 0.381 18098 93 1 1 . 1 1 26 26 LEU N N 26 119.205 119.205 119.358 -0.153 18098 94 1 1 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.189 -0.044 18098 95 1 1 . 1 1 26 26 LEU C C 26 180.642 180.642 179.493 1.149 18098 96 1 1 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.865 -0.090 18098 97 1 1 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.210 -0.510 18098 98 1 1 . 1 1 26 26 LEU H H 26 8.305 8.305 8.152 0.153 18098 99 1 1 . 1 1 27 27 ILE N N 27 123.643 123.643 118.873 4.770 18098 100 1 1 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.748 -0.147 18098 101 1 1 . 1 1 27 27 ILE C C 27 177.716 177.716 178.293 -0.577 18098 102 1 1 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.373 0.779 18098 103 1 1 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.827 0.014 18098 104 1 1 . 1 1 27 27 ILE H H 27 8.488 8.488 8.334 0.154 18098 105 1 1 . 1 1 28 28 TYR N N 28 121.443 121.443 120.817 0.626 18098 106 1 1 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.035 0.180 18098 107 1 1 . 1 1 28 28 TYR C C 28 178.656 178.656 177.641 1.015 18098 108 1 1 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.710 -0.267 18098 109 1 1 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.365 -0.531 18098 110 1 1 . 1 1 28 28 TYR H H 28 7.832 7.832 7.901 -0.069 18098 111 1 1 . 1 1 29 29 GLN N N 29 115.999 115.999 116.688 -0.689 18098 112 1 1 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.754 0.107 18098 113 1 1 . 1 1 29 29 GLN C C 29 178.537 178.537 178.094 0.443 18098 114 1 1 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.959 0.238 18098 115 1 1 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.526 0.762 18098 116 1 1 . 1 1 29 29 GLN H H 29 8.965 8.965 8.215 0.750 18098 117 1 1 . 1 1 30 30 SER N N 30 115.599 115.599 114.791 0.808 18098 118 1 1 . 1 1 30 30 SER HA H 30 4.100 4.100 4.177 -0.077 18098 119 1 1 . 1 1 30 30 SER C C 30 171.004 171.004 175.936 -4.932 18098 120 1 1 . 1 1 30 30 SER CA C 30 61.818 61.818 60.760 1.058 18098 121 1 1 . 1 1 30 30 SER CB C 30 63.196 63.196 63.108 0.087 18098 122 1 1 . 1 1 30 30 SER H H 30 7.643 7.643 7.915 -0.272 18098 123 1 1 . 1 1 31 31 ARG N N 31 114.000 114.000 117.984 -3.984 18098 124 1 1 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.572 0.054 18098 125 1 1 . 1 1 31 31 ARG C C 31 176.556 176.556 175.887 0.669 18098 126 1 1 . 1 1 31 31 ARG CA C 31 55.010 55.010 55.778 -0.768 18098 127 1 1 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.834 -0.175 18098 128 1 1 . 1 1 31 31 ARG H H 31 6.987 6.987 7.315 -0.328 18098 129 1 1 . 1 1 32 32 LYS N N 32 120.507 120.507 121.317 -0.810 18098 130 1 1 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.208 0.297 18098 131 1 1 . 1 1 32 32 LYS C C 32 176.577 176.577 175.578 0.999 18098 132 1 1 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.901 -1.710 18098 133 1 1 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.668 -1.598 18098 134 1 1 . 1 1 32 32 LYS H H 32 7.245 7.245 7.355 -0.110 18098 135 1 1 . 1 1 33 33 ARG N N 33 119.630 119.630 123.601 -3.971 18098 136 1 1 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.395 0.081 18098 137 1 1 . 1 1 33 33 ARG C C 33 177.289 177.289 175.696 1.593 18098 138 1 1 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.005 -2.616 18098 139 1 1 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.672 -5.330 18098 140 1 1 . 1 1 33 33 ARG H H 33 8.831 8.831 8.231 0.600 18098 141 1 1 . 1 1 34 34 GLY N N 34 107.776 107.776 109.748 -1.972 18098 142 1 1 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.702 0.211 18098 143 1 1 . 1 1 34 34 GLY H H 34 8.652 8.652 8.894 -0.242 18098 144 1 1 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.373 -0.027 18098 145 1 1 . 1 1 35 35 ILE C C 35 175.624 175.624 176.171 -0.547 18098 146 1 1 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.355 -1.351 18098 147 1 1 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.462 -1.579 18098 148 1 1 . 1 1 35 35 ILE H H 35 6.841 6.841 7.584 -0.743 18098 149 1 1 . 1 1 36 36 LEU N N 36 128.200 128.200 123.280 4.920 18098 150 1 1 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.107 -0.167 18098 151 1 1 . 1 1 36 36 LEU C C 36 177.994 177.994 178.939 -0.945 18098 152 1 1 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.392 0.626 18098 153 1 1 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.420 1.462 18098 154 1 1 . 1 1 36 36 LEU H H 36 8.518 8.518 8.642 -0.124 18098 155 1 1 . 1 1 37 37 GLU N N 37 118.515 118.515 119.487 -0.972 18098 156 1 1 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.960 -0.420 18098 157 1 1 . 1 1 37 37 GLU C C 37 179.332 179.332 178.579 0.753 18098 158 1 1 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.426 2.081 18098 159 1 1 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.909 -0.174 18098 160 1 1 . 1 1 37 37 GLU H H 37 9.964 9.964 8.466 1.498 18098 161 1 1 . 1 1 38 38 THR N N 38 111.283 111.283 114.238 -2.955 18098 162 1 1 . 1 1 38 38 THR HA H 38 3.867 3.867 4.029 -0.162 18098 163 1 1 . 1 1 38 38 THR C C 38 175.061 175.061 176.073 -1.012 18098 164 1 1 . 1 1 38 38 THR CA C 38 65.735 65.735 66.417 -0.682 18098 165 1 1 . 1 1 38 38 THR CB C 38 67.623 67.623 68.060 -0.437 18098 166 1 1 . 1 1 38 38 THR H H 38 6.425 6.425 7.663 -1.238 18098 167 1 1 . 1 1 39 39 ASP N N 39 124.325 124.325 123.284 1.041 18098 168 1 1 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.368 0.145 18098 169 1 1 . 1 1 39 39 ASP C C 39 179.225 179.225 178.236 0.989 18098 170 1 1 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.382 -0.284 18098 171 1 1 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.834 1.048 18098 172 1 1 . 1 1 39 39 ASP H H 39 7.997 7.997 7.586 0.411 18098 173 1 1 . 1 1 40 40 LEU N N 40 118.757 118.757 119.502 -0.745 18098 174 1 1 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.060 -0.049 18098 175 1 1 . 1 1 40 40 LEU C C 40 180.528 180.528 179.307 1.221 18098 176 1 1 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.531 0.562 18098 177 1 1 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.839 -0.041 18098 178 1 1 . 1 1 40 40 LEU H H 40 8.623 8.623 7.973 0.650 18098 179 1 1 . 1 1 41 41 LEU N N 41 119.923 119.923 120.802 -0.879 18098 180 1 1 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.248 0.145 18098 181 1 1 . 1 1 41 41 LEU C C 41 177.631 177.631 178.619 -0.988 18098 182 1 1 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.311 0.046 18098 183 1 1 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.931 1.408 18098 184 1 1 . 1 1 41 41 LEU H H 41 7.382 7.382 7.504 -0.122 18098 185 1 1 . 1 1 42 42 LEU N N 42 115.623 115.623 117.318 -1.695 18098 186 1 1 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.074 0.199 18098 187 1 1 . 1 1 42 42 LEU C C 42 179.489 179.489 179.257 0.232 18098 188 1 1 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.629 -0.060 18098 189 1 1 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.350 -0.866 18098 190 1 1 . 1 1 42 42 LEU H H 42 8.963 8.963 8.256 0.707 18098 191 1 1 . 1 1 43 43 SER N N 43 115.349 115.349 115.873 -0.524 18098 192 1 1 . 1 1 43 43 SER HA H 43 4.039 4.039 4.191 -0.151 18098 193 1 1 . 1 1 43 43 SER C C 43 178.200 178.200 177.011 1.189 18098 194 1 1 . 1 1 43 43 SER CA C 43 62.665 62.665 62.182 0.483 18098 195 1 1 . 1 1 43 43 SER CB C 43 62.476 62.476 62.907 -0.431 18098 196 1 1 . 1 1 43 43 SER H H 43 8.535 8.535 8.623 -0.088 18098 197 1 1 . 1 1 44 44 GLY N N 44 110.034 110.034 109.069 0.965 18098 198 1 1 . 1 1 44 44 GLY C C 44 175.624 175.624 175.898 -0.274 18098 199 1 1 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.856 0.288 18098 200 1 1 . 1 1 44 44 GLY H H 44 7.812 7.812 7.808 0.004 18098 201 1 1 . 1 1 45 45 PHE N N 45 125.487 125.487 122.496 2.991 18098 202 1 1 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.273 -0.335 18098 203 1 1 . 1 1 45 45 PHE C C 45 177.482 177.482 176.281 1.201 18098 204 1 1 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.711 0.534 18098 205 1 1 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.696 1.223 18098 206 1 1 . 1 1 45 45 PHE H H 45 8.542 8.542 7.829 0.713 18098 207 1 1 . 1 1 46 46 ALA N N 46 121.034 121.034 121.264 -0.230 18098 208 1 1 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.592 0.140 18098 209 1 1 . 1 1 46 46 ALA C C 46 179.916 179.916 178.818 1.098 18098 210 1 1 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.998 -0.290 18098 211 1 1 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.030 0.067 18098 212 1 1 . 1 1 46 46 ALA H H 46 9.262 9.262 8.279 0.983 18098 213 1 1 . 1 1 47 47 ALA N N 47 117.642 117.642 119.587 -1.945 18098 214 1 1 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.003 -0.032 18098 215 1 1 . 1 1 47 47 ALA C C 47 178.250 178.250 178.577 -0.327 18098 216 1 1 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.733 -0.350 18098 217 1 1 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.340 -0.140 18098 218 1 1 . 1 1 47 47 ALA H H 47 7.481 7.481 7.755 -0.274 18098 219 1 1 . 1 1 48 48 LYS N N 48 115.388 115.388 117.542 -2.154 18098 220 1 1 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.067 0.033 18098 221 1 1 . 1 1 48 48 LYS C C 48 177.845 177.845 178.895 -1.050 18098 222 1 1 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.626 -0.866 18098 223 1 1 . 1 1 48 48 LYS CB C 48 33.786 33.786 32.926 0.860 18098 224 1 1 . 1 1 48 48 LYS H H 48 7.056 7.056 7.283 -0.227 18098 225 1 1 . 1 1 49 49 TYR N N 49 112.714 112.714 118.280 -5.566 18098 226 1 1 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.114 0.182 18098 227 1 1 . 1 1 49 49 TYR C C 49 178.272 178.272 178.047 0.225 18098 228 1 1 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.019 -0.896 18098 229 1 1 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.307 1.953 18098 230 1 1 . 1 1 49 49 TYR H H 49 7.941 7.941 8.071 -0.130 18098 231 1 1 . 1 1 50 50 LEU N N 50 120.890 120.890 118.642 2.248 18098 232 1 1 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.839 0.136 18098 233 1 1 . 1 1 50 50 LEU C C 50 180.108 180.108 178.247 1.861 18098 234 1 1 . 1 1 50 50 LEU CA C 50 59.709 59.709 58.297 1.411 18098 235 1 1 . 1 1 50 50 LEU CB C 50 40.837 40.837 40.930 -0.093 18098 236 1 1 . 1 1 50 50 LEU H H 50 7.945 7.945 7.820 0.125 18098 237 1 1 . 1 1 51 51 LYS N N 51 115.335 115.335 116.509 -1.174 18098 238 1 1 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.951 -0.093 18098 239 1 1 . 1 1 51 51 LYS C C 51 176.051 176.051 177.727 -1.676 18098 240 1 1 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.986 -0.181 18098 241 1 1 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.103 -0.596 18098 242 1 1 . 1 1 51 51 LYS H H 51 8.463 8.463 8.094 0.369 18098 243 1 1 . 1 1 52 52 LYS N N 52 115.175 115.175 115.457 -0.282 18098 244 1 1 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.201 0.209 18098 245 1 1 . 1 1 52 52 LYS C C 52 176.777 176.777 177.454 -0.677 18098 246 1 1 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.630 -1.545 18098 247 1 1 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.939 0.177 18098 248 1 1 . 1 1 52 52 LYS H H 52 7.232 7.232 7.469 -0.237 18098 249 1 1 . 1 1 53 53 MET N N 53 120.127 120.127 121.328 -1.201 18098 250 1 1 . 1 1 53 53 MET HA H 53 4.485 4.485 4.425 0.060 18098 251 1 1 . 1 1 53 53 MET C C 53 176.179 176.179 175.662 0.517 18098 252 1 1 . 1 1 53 53 MET CA C 53 57.091 57.091 55.759 1.332 18098 253 1 1 . 1 1 53 53 MET CB C 53 34.125 34.125 33.728 0.397 18098 254 1 1 . 1 1 53 53 MET H H 53 7.175 7.175 7.819 -0.644 18098 255 1 1 . 1 1 54 54 ASN N N 54 120.819 120.819 122.646 -1.827 18098 256 1 1 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.661 0.104 18098 257 1 1 . 1 1 54 54 ASN C C 54 175.154 175.154 176.303 -1.149 18098 258 1 1 . 1 1 54 54 ASN CA C 54 50.941 50.941 53.412 -2.471 18098 259 1 1 . 1 1 54 54 ASN CB C 54 38.535 38.535 40.604 -2.069 18098 260 1 1 . 1 1 54 54 ASN H H 54 9.045 9.045 8.758 0.287 18098 261 1 1 . 1 1 55 55 GLU N N 55 116.971 116.971 122.246 -5.275 18098 262 1 1 . 1 1 55 55 GLU HA H 55 3.824 3.824 4.002 -0.178 18098 263 1 1 . 1 1 55 55 GLU C C 55 178.122 178.122 178.178 -0.056 18098 264 1 1 . 1 1 55 55 GLU CA C 55 61.252 61.252 59.651 1.601 18098 265 1 1 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.768 -0.099 18098 266 1 1 . 1 1 55 55 GLU H H 55 8.891 8.891 8.991 -0.100 18098 267 1 1 . 1 1 56 56 GLU N N 56 119.652 119.652 118.779 0.873 18098 268 1 1 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.007 0.130 18098 269 1 1 . 1 1 56 56 GLU C C 56 179.937 179.937 179.291 0.646 18098 270 1 1 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.530 0.286 18098 271 1 1 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.288 -0.206 18098 272 1 1 . 1 1 56 56 GLU H H 56 8.366 8.366 8.075 0.291 18098 273 1 1 . 1 1 57 57 GLU N N 57 122.119 122.119 119.133 2.986 18098 274 1 1 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.207 0.057 18098 275 1 1 . 1 1 57 57 GLU C C 57 179.332 179.332 179.425 -0.093 18098 276 1 1 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.812 0.346 18098 277 1 1 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.185 0.115 18098 278 1 1 . 1 1 57 57 GLU H H 57 8.491 8.491 7.762 0.729 18098 279 1 1 . 1 1 58 58 LEU N N 58 119.424 119.424 119.253 0.171 18098 280 1 1 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.160 -0.024 18098 281 1 1 . 1 1 58 58 LEU C C 58 179.218 179.218 179.422 -0.204 18098 282 1 1 . 1 1 58 58 LEU CA C 58 57.685 57.685 57.952 -0.267 18098 283 1 1 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.304 0.546 18098 284 1 1 . 1 1 58 58 LEU H H 58 8.693 8.693 8.383 0.310 18098 285 1 1 . 1 1 59 59 GLU N N 59 118.813 118.813 118.246 0.567 18098 286 1 1 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.158 0.142 18098 287 1 1 . 1 1 59 59 GLU C C 59 179.361 179.361 179.066 0.295 18098 288 1 1 . 1 1 59 59 GLU CA C 59 59.039 59.039 58.854 0.185 18098 289 1 1 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.109 -0.004 18098 290 1 1 . 1 1 59 59 GLU H H 59 8.009 8.009 8.307 -0.298 18098 291 1 1 . 1 1 60 60 GLU N N 60 121.472 121.472 121.407 0.065 18098 292 1 1 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.183 0.073 18098 293 1 1 . 1 1 60 60 GLU C C 60 178.451 178.451 178.688 -0.237 18098 294 1 1 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.790 0.859 18098 295 1 1 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.364 0.400 18098 296 1 1 . 1 1 60 60 GLU H H 60 7.867 7.867 7.820 0.047 18098 297 1 1 . 1 1 61 61 TYR N N 61 121.955 121.955 119.647 2.308 18098 298 1 1 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.374 -0.240 18098 299 1 1 . 1 1 61 61 TYR C C 61 176.278 176.278 177.538 -1.260 18098 300 1 1 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.392 0.779 18098 301 1 1 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.853 -0.663 18098 302 1 1 . 1 1 61 61 TYR H H 61 8.675 8.675 8.150 0.525 18098 303 1 1 . 1 1 62 62 ASP N N 62 118.314 118.314 119.430 -1.116 18098 304 1 1 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.301 -0.038 18098 305 1 1 . 1 1 62 62 ASP C C 62 178.464 178.464 178.494 -0.030 18098 306 1 1 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.679 -0.934 18098 307 1 1 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.743 0.802 18098 308 1 1 . 1 1 62 62 ASP H H 62 8.481 8.481 8.182 0.299 18098 309 1 1 . 1 1 63 63 SER N N 63 111.380 111.380 115.437 -4.057 18098 310 1 1 . 1 1 63 63 SER HA H 63 4.361 4.361 4.207 0.154 18098 311 1 1 . 1 1 63 63 SER C C 63 178.763 178.763 176.738 2.025 18098 312 1 1 . 1 1 63 63 SER CA C 63 61.824 61.824 61.525 0.299 18098 313 1 1 . 1 1 63 63 SER CB C 63 62.830 62.830 63.266 -0.436 18098 314 1 1 . 1 1 63 63 SER H H 63 7.779 7.779 7.853 -0.074 18098 315 1 1 . 1 1 64 64 LEU N N 64 127.444 127.444 123.459 3.985 18098 316 1 1 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.470 -0.414 18098 317 1 1 . 1 1 64 64 LEU C C 64 177.688 177.688 177.859 -0.171 18098 318 1 1 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.616 0.435 18098 319 1 1 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.883 -1.708 18098 320 1 1 . 1 1 64 64 LEU H H 64 8.616 8.616 7.541 1.075 18098 321 1 1 . 1 1 65 65 LEU N N 65 114.503 114.503 118.808 -4.305 18098 322 1 1 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.885 -0.117 18098 323 1 1 . 1 1 65 65 LEU C C 65 178.506 178.506 178.274 0.232 18098 324 1 1 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.072 -0.707 18098 325 1 1 . 1 1 65 65 LEU CB C 65 40.463 40.463 41.058 -0.595 18098 326 1 1 . 1 1 65 65 LEU H H 65 7.700 7.700 7.638 0.062 18098 327 1 1 . 1 1 66 66 ASN N N 66 116.208 116.208 114.854 1.354 18098 328 1 1 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.634 0.105 18098 329 1 1 . 1 1 66 66 ASN C C 66 176.008 176.008 175.843 0.165 18098 330 1 1 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.691 -0.805 18098 331 1 1 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.897 0.362 18098 332 1 1 . 1 1 66 66 ASN H H 66 7.533 7.533 7.695 -0.162 18098 333 1 1 . 1 1 67 67 GLU N N 67 120.300 120.300 118.925 1.375 18098 334 1 1 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.630 -0.141 18098 335 1 1 . 1 1 67 67 GLU C C 67 175.410 175.410 175.887 -0.477 18098 336 1 1 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.001 -0.035 18098 337 1 1 . 1 1 67 67 GLU CB C 67 28.420 28.420 31.038 -2.619 18098 338 1 1 . 1 1 67 67 GLU H H 67 7.948 7.948 7.530 0.418 18098 339 1 1 . 1 1 68 68 LEU N N 68 120.037 120.037 121.690 -1.653 18098 340 1 1 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.366 -0.236 18098 341 1 1 . 1 1 68 68 LEU C C 68 178.720 178.720 178.023 0.697 18098 342 1 1 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.532 0.173 18098 343 1 1 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.444 -0.936 18098 344 1 1 . 1 1 68 68 LEU H H 68 9.451 9.451 8.423 1.028 18098 345 1 1 . 1 1 69 69 ASP N N 69 120.774 120.774 123.041 -2.267 18098 346 1 1 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.097 0.080 18098 347 1 1 . 1 1 69 69 ASP C C 69 179.446 179.446 178.007 1.439 18098 348 1 1 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.674 -0.037 18098 349 1 1 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.483 0.371 18098 350 1 1 . 1 1 69 69 ASP H H 69 8.445 8.445 8.880 -0.435 18098 351 1 1 . 1 1 70 70 TRP N N 70 117.865 117.865 117.418 0.447 18098 352 1 1 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.091 0.027 18098 353 1 1 . 1 1 70 70 TRP C C 70 176.983 176.983 177.890 -0.907 18098 354 1 1 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.971 0.132 18098 355 1 1 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.140 -0.748 18098 356 1 1 . 1 1 70 70 TRP H H 70 8.809 8.809 8.232 0.577 18098 357 1 1 . 1 1 71 71 ASP N N 71 116.993 116.993 119.434 -2.441 18098 358 1 1 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.976 -0.114 18098 359 1 1 . 1 1 71 71 ASP C C 71 175.218 175.218 177.806 -2.588 18098 360 1 1 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.636 -0.183 18098 361 1 1 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.975 -1.252 18098 362 1 1 . 1 1 71 71 ASP H H 71 6.134 6.134 7.549 -1.415 18098 363 1 1 . 1 1 72 72 ILE N N 72 115.361 115.361 120.083 -4.722 18098 364 1 1 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.396 -0.524 18098 365 1 1 . 1 1 72 72 ILE C C 72 177.097 177.097 177.567 -0.470 18098 366 1 1 . 1 1 72 72 ILE CA C 72 66.119 66.119 65.030 1.089 18098 367 1 1 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.749 0.530 18098 368 1 1 . 1 1 72 72 ILE H H 72 7.302 7.302 7.645 -0.343 18098 369 1 1 . 1 1 73 73 TYR N N 73 116.121 116.121 120.404 -4.283 18098 370 1 1 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.886 -0.145 18098 371 1 1 . 1 1 73 73 TYR C C 73 178.827 178.827 177.341 1.486 18098 372 1 1 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.776 0.374 18098 373 1 1 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.282 -0.110 18098 374 1 1 . 1 1 73 73 TYR H H 73 7.327 7.327 7.836 -0.509 18098 375 1 1 . 1 1 74 74 TYR N N 74 121.029 121.029 118.841 2.188 18098 376 1 1 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.202 0.074 18098 377 1 1 . 1 1 74 74 TYR C C 74 178.165 178.165 178.183 -0.018 18098 378 1 1 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.062 0.215 18098 379 1 1 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.669 -1.885 18098 380 1 1 . 1 1 74 74 TYR H H 74 8.922 8.922 7.924 0.998 18098 381 1 1 . 1 1 75 75 TRP N N 75 121.118 121.118 118.472 2.646 18098 382 1 1 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.072 0.683 18098 383 1 1 . 1 1 75 75 TRP C C 75 180.599 180.599 178.949 1.650 18098 384 1 1 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.199 -1.429 18098 385 1 1 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.928 0.483 18098 386 1 1 . 1 1 75 75 TRP H H 75 9.201 9.201 7.826 1.375 18098 387 1 1 . 1 1 76 76 ALA N N 76 122.129 122.129 121.036 1.093 18098 388 1 1 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.142 -0.186 18098 389 1 1 . 1 1 76 76 ALA C C 76 177.546 177.546 178.955 -1.409 18098 390 1 1 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.425 0.775 18098 391 1 1 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.635 0.590 18098 392 1 1 . 1 1 76 76 ALA H H 76 8.761 8.761 7.614 1.147 18098 393 1 1 . 1 1 77 77 THR N N 77 102.584 102.584 109.244 -6.660 18098 394 1 1 . 1 1 77 77 THR HA H 77 4.192 4.192 4.085 0.107 18098 395 1 1 . 1 1 77 77 THR C C 77 173.425 173.425 175.324 -1.899 18098 396 1 1 . 1 1 77 77 THR CA C 77 60.767 60.767 62.625 -1.858 18098 397 1 1 . 1 1 77 77 THR CB C 77 69.573 69.573 68.855 0.718 18098 398 1 1 . 1 1 77 77 THR H H 77 7.411 7.411 7.586 -0.175 18098 399 1 1 . 1 1 78 78 LYS N N 78 116.069 116.069 117.417 -1.348 18098 400 1 1 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.064 -0.234 18098 401 1 1 . 1 1 78 78 LYS C C 78 174.514 174.514 174.905 -0.391 18098 402 1 1 . 1 1 78 78 LYS CA C 78 57.242 57.242 56.994 0.248 18098 403 1 1 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.657 -2.324 18098 404 1 1 . 1 1 78 78 LYS H H 78 7.420 7.420 7.528 -0.108 18098 405 1 1 . 1 1 79 79 ASN N N 79 120.318 120.318 118.895 1.423 18098 406 1 1 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.638 0.159 18098 407 1 1 . 1 1 79 79 ASN C C 79 175.581 175.581 174.837 0.744 18098 408 1 1 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.761 -1.166 18098 409 1 1 . 1 1 79 79 ASN CB C 79 36.999 36.999 36.880 0.119 18098 410 1 1 . 1 1 79 79 ASN H H 79 8.828 8.828 8.025 0.803 18098 411 1 1 . 1 1 80 80 PHE N N 80 120.545 120.545 120.816 -0.271 18098 412 1 1 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.885 -0.016 18098 413 1 1 . 1 1 80 80 PHE C C 80 177.311 177.311 177.751 -0.440 18098 414 1 1 . 1 1 80 80 PHE CA C 80 56.745 56.745 59.161 -2.416 18098 415 1 1 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.777 -0.566 18098 416 1 1 . 1 1 80 80 PHE H H 80 7.581 7.581 7.709 -0.128 18098 417 1 1 . 1 1 81 81 LYS N N 81 118.568 118.568 120.992 -2.424 18098 418 1 1 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.067 -0.006 18098 419 1 1 . 1 1 81 81 LYS C C 81 177.845 177.845 177.666 0.179 18098 420 1 1 . 1 1 81 81 LYS CA C 81 58.508 58.508 59.217 -0.709 18098 421 1 1 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.243 -0.152 18098 422 1 1 . 1 1 81 81 LYS H H 81 7.999 7.999 8.023 -0.024 18098 423 1 1 . 1 1 82 82 THR N N 82 111.828 111.828 114.146 -2.318 18098 424 1 1 . 1 1 82 82 THR HA H 82 4.098 4.098 4.107 -0.009 18098 425 1 1 . 1 1 82 82 THR C C 82 174.556 174.556 175.328 -0.772 18098 426 1 1 . 1 1 82 82 THR CA C 82 63.796 63.796 64.701 -0.905 18098 427 1 1 . 1 1 82 82 THR CB C 82 68.509 68.509 68.990 -0.481 18098 428 1 1 . 1 1 82 82 THR H H 82 7.419 7.419 7.708 -0.289 18098 429 1 1 . 1 1 83 83 SER N N 83 115.546 115.546 118.112 -2.566 18098 430 1 1 . 1 1 83 83 SER HA H 83 5.000 5.000 5.059 -0.059 18098 431 1 1 . 1 1 83 83 SER C C 83 170.371 170.371 172.647 -2.276 18098 432 1 1 . 1 1 83 83 SER CA C 83 54.673 54.673 56.465 -1.792 18098 433 1 1 . 1 1 83 83 SER CB C 83 63.763 63.763 64.021 -0.258 18098 434 1 1 . 1 1 83 83 SER H H 83 7.312 7.312 7.579 -0.267 18098 435 1 1 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.653 -0.098 18098 436 1 1 . 1 1 84 84 PRO C C 84 176.855 176.855 176.871 -0.016 18098 437 1 1 . 1 1 84 84 PRO CA C 84 62.540 62.540 63.014 -0.474 18098 438 1 1 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.408 -0.325 18098 439 1 1 . 1 1 85 85 LEU N N 85 125.147 125.147 124.020 1.127 18098 440 1 1 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.280 -0.467 18098 441 1 1 . 1 1 85 85 LEU C C 85 175.168 175.168 175.304 -0.136 18098 442 1 1 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.351 -0.014 18098 443 1 1 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.250 1.110 18098 444 1 1 . 1 1 85 85 LEU H H 85 8.171 8.171 8.374 -0.203 18098 445 1 1 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.595 -0.087 18098 446 1 1 . 1 1 86 86 PRO C C 86 177.111 177.111 176.765 0.346 18098 447 1 1 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.101 0.160 18098 448 1 1 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.825 -0.050 18098 449 1 1 . 1 1 87 87 ASP N N 87 123.224 123.224 121.248 1.976 18098 450 1 1 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.148 0.007 18098 451 1 1 . 1 1 87 87 ASP C C 87 178.392 178.392 177.838 0.554 18098 452 1 1 . 1 1 87 87 ASP CA C 87 57.499 57.499 58.066 -0.566 18098 453 1 1 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.467 -0.346 18098 454 1 1 . 1 1 87 87 ASP H H 87 8.649 8.649 8.543 0.106 18098 455 1 1 . 1 1 88 88 LYS N N 88 115.960 115.960 116.558 -0.598 18098 456 1 1 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.807 0.024 18098 457 1 1 . 1 1 88 88 LYS C C 88 176.585 176.585 176.695 -0.110 18098 458 1 1 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.305 -0.046 18098 459 1 1 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.318 0.416 18098 460 1 1 . 1 1 88 88 LYS H H 88 8.344 8.344 8.302 0.042 18098 461 1 1 . 1 1 89 89 TRP N N 89 116.821 116.821 117.811 -0.990 18098 462 1 1 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.610 0.204 18098 463 1 1 . 1 1 89 89 TRP C C 89 176.329 176.329 178.648 -2.319 18098 464 1 1 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.776 -0.630 18098 465 1 1 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.373 1.129 18098 466 1 1 . 1 1 89 89 TRP H H 89 7.145 7.145 7.082 0.063 18098 467 1 1 . 1 1 90 90 ALA N N 90 122.680 122.680 123.993 -1.313 18098 468 1 1 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.938 -0.072 18098 469 1 1 . 1 1 90 90 ALA C C 90 177.965 177.965 177.551 0.414 18098 470 1 1 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.815 -0.104 18098 471 1 1 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.529 -0.150 18098 472 1 1 . 1 1 90 90 ALA H H 90 7.456 7.456 7.886 -0.430 18098 473 1 1 . 1 1 91 91 ASN N N 91 114.054 114.054 111.647 2.407 18098 474 1 1 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.740 0.075 18098 475 1 1 . 1 1 91 91 ASN C C 91 174.727 174.727 175.044 -0.317 18098 476 1 1 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.317 0.072 18098 477 1 1 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.987 -0.280 18098 478 1 1 . 1 1 91 91 ASN H H 91 8.318 8.318 7.735 0.583 18098 479 1 1 . 1 1 92 92 SER N N 92 113.359 113.359 115.900 -2.541 18098 480 1 1 . 1 1 92 92 SER HA H 92 4.649 4.649 4.544 0.105 18098 481 1 1 . 1 1 92 92 SER C C 92 177.033 177.033 175.376 1.657 18098 482 1 1 . 1 1 92 92 SER CA C 92 57.599 57.599 57.535 0.064 18098 483 1 1 . 1 1 92 92 SER CB C 92 64.454 64.454 64.518 -0.064 18098 484 1 1 . 1 1 92 92 SER H H 92 7.255 7.255 7.571 -0.316 18098 485 1 1 . 1 1 93 93 LYS N N 93 133.672 133.672 128.839 4.833 18098 486 1 1 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.212 -0.082 18098 487 1 1 . 1 1 93 93 LYS C C 93 178.763 178.763 178.144 0.619 18098 488 1 1 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.132 -0.003 18098 489 1 1 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.568 -0.485 18098 490 1 1 . 1 1 93 93 LYS H H 93 9.608 9.608 8.914 0.694 18098 491 1 1 . 1 1 94 94 LEU N N 94 122.086 122.086 120.330 1.756 18098 492 1 1 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.215 0.136 18098 493 1 1 . 1 1 94 94 LEU C C 94 178.663 178.663 178.245 0.418 18098 494 1 1 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.130 -0.894 18098 495 1 1 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.959 -0.798 18098 496 1 1 . 1 1 94 94 LEU H H 94 8.000 8.000 7.939 0.061 18098 497 1 1 . 1 1 95 95 LEU N N 95 118.720 118.720 118.858 -0.138 18098 498 1 1 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.757 0.168 18098 499 1 1 . 1 1 95 95 LEU C C 95 178.530 178.530 178.260 0.270 18098 500 1 1 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.245 -0.864 18098 501 1 1 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.755 -0.831 18098 502 1 1 . 1 1 95 95 LEU H H 95 7.997 7.997 7.632 0.365 18098 503 1 1 . 1 1 96 96 LYS N N 96 117.880 117.880 117.812 0.068 18098 504 1 1 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.987 0.269 18098 505 1 1 . 1 1 96 96 LYS C C 96 179.147 179.147 179.287 -0.140 18098 506 1 1 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.820 -0.358 18098 507 1 1 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.052 -0.132 18098 508 1 1 . 1 1 96 96 LYS H H 96 7.341 7.341 7.667 -0.326 18098 509 1 1 . 1 1 97 97 GLN N N 97 119.660 119.660 118.820 0.840 18098 510 1 1 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.290 -0.096 18098 511 1 1 . 1 1 97 97 GLN C C 97 179.040 179.040 178.910 0.130 18098 512 1 1 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.506 0.576 18098 513 1 1 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.587 0.460 18098 514 1 1 . 1 1 97 97 GLN H H 97 8.007 8.007 8.269 -0.262 18098 515 1 1 . 1 1 98 98 LEU N N 98 122.983 122.983 121.390 1.593 18098 516 1 1 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.784 0.067 18098 517 1 1 . 1 1 98 98 LEU C C 98 178.841 178.841 178.746 0.095 18098 518 1 1 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.490 0.591 18098 519 1 1 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.333 0.563 18098 520 1 1 . 1 1 98 98 LEU H H 98 8.425 8.425 8.001 0.424 18098 521 1 1 . 1 1 99 99 GLN N N 99 119.099 119.099 119.100 -0.001 18098 522 1 1 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.188 0.452 18098 523 1 1 . 1 1 99 99 GLN C C 99 179.660 179.660 178.839 0.821 18098 524 1 1 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.140 -1.324 18098 525 1 1 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.858 -1.441 18098 526 1 1 . 1 1 99 99 GLN H H 99 8.594 8.594 8.127 0.467 18098 527 1 1 . 1 1 100 100 GLU N N 100 120.803 120.803 119.143 1.660 18098 528 1 1 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.426 -0.315 18098 529 1 1 . 1 1 100 100 GLU C C 100 178.870 178.870 179.172 -0.302 18098 530 1 1 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.695 0.754 18098 531 1 1 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.642 -0.262 18098 532 1 1 . 1 1 100 100 GLU H H 100 8.353 8.353 8.164 0.189 18098 533 1 1 . 1 1 101 101 PHE N N 101 120.752 120.752 121.517 -0.765 18098 534 1 1 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.462 0.011 18098 535 1 1 . 1 1 101 101 PHE C C 101 177.289 177.289 176.716 0.573 18098 536 1 1 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.683 0.434 18098 537 1 1 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.727 -0.025 18098 538 1 1 . 1 1 101 101 PHE H H 101 8.544 8.544 8.238 0.306 18098 539 1 1 . 1 1 102 102 SER N N 102 112.889 112.889 114.568 -1.679 18098 540 1 1 . 1 1 102 102 SER HA H 102 3.821 3.821 3.837 -0.016 18098 541 1 1 . 1 1 102 102 SER C C 102 176.414 176.414 175.664 0.750 18098 542 1 1 . 1 1 102 102 SER CA C 102 61.123 61.123 62.107 -0.984 18098 543 1 1 . 1 1 102 102 SER CB C 102 63.193 63.193 62.984 0.209 18098 544 1 1 . 1 1 102 102 SER H H 102 8.314 8.314 8.086 0.228 18098 545 1 1 . 1 1 103 103 GLU N N 103 118.066 118.066 118.102 -0.036 18098 546 1 1 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.003 0.111 18098 547 1 1 . 1 1 103 103 GLU C C 103 177.375 177.375 178.145 -0.770 18098 548 1 1 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.572 -0.771 18098 549 1 1 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.562 0.464 18098 550 1 1 . 1 1 103 103 GLU H H 103 7.809 7.809 7.784 0.025 18098 551 1 1 . 1 1 104 104 ASN N N 104 117.241 117.241 117.981 -0.740 18098 552 1 1 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.673 -0.026 18098 553 1 1 . 1 1 104 104 ASN C C 104 175.752 175.752 177.246 -1.494 18098 554 1 1 . 1 1 104 104 ASN CA C 104 53.739 53.739 54.648 -0.909 18098 555 1 1 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.533 -0.911 18098 556 1 1 . 1 1 104 104 ASN H H 104 7.917 7.917 7.591 0.326 18098 557 1 1 . 1 1 105 105 LYS N N 105 121.903 121.903 117.564 4.339 18098 558 1 1 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.345 0.723 18098 559 1 1 . 1 1 105 105 LYS C C 105 177.311 177.311 177.025 0.286 18098 560 1 1 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.985 -1.611 18098 561 1 1 . 1 1 105 105 LYS CB C 105 32.037 32.037 30.933 1.104 18098 562 1 1 . 1 1 105 105 LYS H H 105 8.093 8.093 8.116 -0.023 18098 563 1 1 . 1 1 106 106 GLU N N 106 119.595 119.595 118.083 1.512 18098 564 1 1 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.347 -0.078 18098 565 1 1 . 1 1 106 106 GLU C C 106 176.585 176.585 176.548 0.037 18098 566 1 1 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.486 0.205 18098 567 1 1 . 1 1 106 106 GLU CB C 106 29.700 29.700 30.057 -0.357 18098 568 1 1 . 1 1 106 106 GLU H H 106 8.200 8.200 8.108 0.092 18098 569 1 1 . 1 1 107 107 LYS N N 107 120.538 120.538 121.058 -0.520 18098 570 1 1 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.543 -0.276 18098 571 1 1 . 1 1 107 107 LYS C C 107 176.435 176.435 175.243 1.192 18098 572 1 1 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.300 1.152 18098 573 1 1 . 1 1 107 107 LYS CB C 107 33.110 33.110 32.975 0.135 18098 574 1 1 . 1 1 107 107 LYS H H 107 7.838 7.838 7.668 0.170 18098 575 1 1 . 1 1 108 108 GLU N N 108 122.869 122.869 123.568 -0.699 18098 576 1 1 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.204 0.113 18098 577 1 1 . 1 1 108 108 GLU C C 108 175.403 175.403 176.625 -1.222 18098 578 1 1 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.735 0.830 18098 579 1 1 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.344 -0.287 18098 580 1 1 . 1 1 108 108 GLU H H 108 8.313 8.313 8.351 -0.038 18098 581 1 2 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.680 -0.038 18098 582 1 2 . 1 1 10 10 HIS C C 10 174.891 174.891 173.785 1.106 18098 583 1 2 . 1 1 10 10 HIS CA C 10 56.030 56.030 54.969 1.061 18098 584 1 2 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.930 -0.817 18098 585 1 2 . 1 1 11 11 MET N N 11 121.211 121.211 121.751 -0.540 18098 586 1 2 . 1 1 11 11 MET HA H 11 4.417 4.417 4.767 -0.350 18098 587 1 2 . 1 1 11 11 MET C C 11 175.709 175.709 176.343 -0.634 18098 588 1 2 . 1 1 11 11 MET CA C 11 55.405 55.405 55.029 0.376 18098 589 1 2 . 1 1 11 11 MET CB C 11 32.776 32.776 33.761 -0.985 18098 590 1 2 . 1 1 11 11 MET H H 11 8.179 8.179 8.508 -0.329 18098 591 1 2 . 1 1 12 12 ILE N N 12 122.511 122.511 125.656 -3.145 18098 592 1 2 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.233 -0.110 18098 593 1 2 . 1 1 12 12 ILE C C 12 175.809 175.809 175.355 0.454 18098 594 1 2 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.503 -0.701 18098 595 1 2 . 1 1 12 12 ILE CB C 12 38.531 38.531 35.850 2.681 18098 596 1 2 . 1 1 12 12 ILE H H 12 8.088 8.088 8.676 -0.588 18098 597 1 2 . 1 1 13 13 LYS N N 13 126.072 126.072 126.304 -0.232 18098 598 1 2 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.565 -0.237 18098 599 1 2 . 1 1 13 13 LYS C C 13 176.108 176.108 175.814 0.294 18098 600 1 2 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.636 0.417 18098 601 1 2 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.747 -0.832 18098 602 1 2 . 1 1 13 13 LYS H H 13 8.381 8.381 7.872 0.509 18098 603 1 2 . 1 1 14 14 ARG N N 14 123.714 123.714 128.172 -4.458 18098 604 1 2 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.358 0.086 18098 605 1 2 . 1 1 14 14 ARG C C 14 176.428 176.428 176.013 0.415 18098 606 1 2 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.101 -0.359 18098 607 1 2 . 1 1 14 14 ARG CB C 14 30.781 30.781 29.187 1.594 18098 608 1 2 . 1 1 14 14 ARG H H 14 8.484 8.484 8.789 -0.305 18098 609 1 2 . 1 1 15 15 THR N N 15 115.338 115.338 122.145 -6.807 18098 610 1 2 . 1 1 15 15 THR HA H 15 4.367 4.367 4.358 0.009 18098 611 1 2 . 1 1 15 15 THR C C 15 174.172 174.172 174.098 0.074 18098 612 1 2 . 1 1 15 15 THR CA C 15 61.501 61.501 62.418 -0.917 18098 613 1 2 . 1 1 15 15 THR CB C 15 69.868 69.868 67.989 1.879 18098 614 1 2 . 1 1 15 15 THR H H 15 8.279 8.279 8.092 0.187 18098 615 1 2 . 1 1 16 16 ASN N N 16 120.727 120.727 122.082 -1.355 18098 616 1 2 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.419 0.259 18098 617 1 2 . 1 1 16 16 ASN C C 16 174.482 174.482 173.432 1.050 18098 618 1 2 . 1 1 16 16 ASN CA C 16 53.072 53.072 54.371 -1.300 18098 619 1 2 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.549 -0.168 18098 620 1 2 . 1 1 16 16 ASN H H 16 8.612 8.612 8.140 0.472 18098 621 1 2 . 1 1 17 17 GLU N N 17 123.790 123.790 121.855 1.935 18098 622 1 2 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.676 -0.075 18098 623 1 2 . 1 1 17 17 GLU C C 17 173.823 173.823 174.310 -0.487 18098 624 1 2 . 1 1 17 17 GLU CA C 17 53.965 53.965 53.504 0.461 18098 625 1 2 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.381 1.382 18098 626 1 2 . 1 1 17 17 GLU H H 17 8.113 8.113 8.390 -0.277 18098 627 1 2 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.426 0.089 18098 628 1 2 . 1 1 18 18 PRO C C 18 177.709 177.709 177.192 0.517 18098 629 1 2 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.367 0.398 18098 630 1 2 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.627 -0.146 18098 631 1 2 . 1 1 19 19 LEU N N 19 123.760 123.760 124.545 -0.785 18098 632 1 2 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.111 -0.105 18098 633 1 2 . 1 1 19 19 LEU C C 19 178.307 178.307 177.944 0.363 18098 634 1 2 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.835 0.628 18098 635 1 2 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.444 0.354 18098 636 1 2 . 1 1 19 19 LEU H H 19 8.720 8.720 8.530 0.190 18098 637 1 2 . 1 1 20 20 ASP N N 20 115.650 115.650 118.959 -3.309 18098 638 1 2 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.506 -0.145 18098 639 1 2 . 1 1 20 20 ASP C C 20 179.531 179.531 178.844 0.687 18098 640 1 2 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.200 -0.113 18098 641 1 2 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.096 -0.775 18098 642 1 2 . 1 1 20 20 ASP H H 20 8.829 8.829 8.672 0.157 18098 643 1 2 . 1 1 21 21 LYS N N 21 121.462 121.462 120.374 1.088 18098 644 1 2 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.077 0.055 18098 645 1 2 . 1 1 21 21 LYS C C 21 178.421 178.421 178.601 -0.180 18098 646 1 2 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.996 -0.713 18098 647 1 2 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.455 -0.475 18098 648 1 2 . 1 1 21 21 LYS H H 21 7.352 7.352 8.268 -0.916 18098 649 1 2 . 1 1 22 22 LYS N N 22 123.296 123.296 120.003 3.293 18098 650 1 2 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.016 -0.026 18098 651 1 2 . 1 1 22 22 LYS C C 22 178.179 178.179 178.247 -0.068 18098 652 1 2 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.685 0.169 18098 653 1 2 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.482 0.305 18098 654 1 2 . 1 1 22 22 LYS H H 22 8.407 8.407 8.124 0.283 18098 655 1 2 . 1 1 23 23 ARG N N 23 116.950 116.950 119.375 -2.425 18098 656 1 2 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.003 -0.269 18098 657 1 2 . 1 1 23 23 ARG C C 23 177.460 177.460 178.395 -0.935 18098 658 1 2 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.491 1.014 18098 659 1 2 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.166 0.101 18098 660 1 2 . 1 1 23 23 ARG H H 23 8.594 8.594 8.007 0.587 18098 661 1 2 . 1 1 24 24 ALA N N 24 118.391 118.391 120.147 -1.756 18098 662 1 2 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.088 -0.044 18098 663 1 2 . 1 1 24 24 ALA C C 24 180.514 180.514 179.663 0.851 18098 664 1 2 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.974 0.095 18098 665 1 2 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.167 -0.233 18098 666 1 2 . 1 1 24 24 ALA H H 24 7.505 7.505 8.118 -0.613 18098 667 1 2 . 1 1 25 25 ARG N N 25 120.413 120.413 119.256 1.157 18098 668 1 2 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.174 0.033 18098 669 1 2 . 1 1 25 25 ARG C C 25 178.058 178.058 178.610 -0.552 18098 670 1 2 . 1 1 25 25 ARG CA C 25 59.393 59.393 58.920 0.473 18098 671 1 2 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.202 -0.590 18098 672 1 2 . 1 1 25 25 ARG H H 25 8.291 8.291 7.629 0.662 18098 673 1 2 . 1 1 26 26 LEU N N 26 119.205 119.205 120.561 -1.356 18098 674 1 2 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.096 0.049 18098 675 1 2 . 1 1 26 26 LEU C C 26 180.642 180.642 179.318 1.324 18098 676 1 2 . 1 1 26 26 LEU CA C 26 57.775 57.775 58.091 -0.316 18098 677 1 2 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.181 -0.481 18098 678 1 2 . 1 1 26 26 LEU H H 26 8.305 8.305 8.122 0.183 18098 679 1 2 . 1 1 27 27 ILE N N 27 123.643 123.643 118.228 5.415 18098 680 1 2 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.878 -0.277 18098 681 1 2 . 1 1 27 27 ILE C C 27 177.716 177.716 179.321 -1.605 18098 682 1 2 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.043 1.109 18098 683 1 2 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.773 0.068 18098 684 1 2 . 1 1 27 27 ILE H H 27 8.488 8.488 8.168 0.320 18098 685 1 2 . 1 1 28 28 TYR N N 28 121.443 121.443 121.911 -0.468 18098 686 1 2 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.048 0.167 18098 687 1 2 . 1 1 28 28 TYR C C 28 178.656 178.656 177.087 1.569 18098 688 1 2 . 1 1 28 28 TYR CA C 28 61.443 61.443 62.025 -0.582 18098 689 1 2 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.456 -0.622 18098 690 1 2 . 1 1 28 28 TYR H H 28 7.832 7.832 7.905 -0.073 18098 691 1 2 . 1 1 29 29 GLN N N 29 115.999 115.999 116.782 -0.783 18098 692 1 2 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.816 0.045 18098 693 1 2 . 1 1 29 29 GLN C C 29 178.537 178.537 178.078 0.459 18098 694 1 2 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.080 0.117 18098 695 1 2 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.651 0.637 18098 696 1 2 . 1 1 29 29 GLN H H 29 8.965 8.965 8.311 0.654 18098 697 1 2 . 1 1 30 30 SER N N 30 115.599 115.599 115.278 0.321 18098 698 1 2 . 1 1 30 30 SER HA H 30 4.100 4.100 4.298 -0.198 18098 699 1 2 . 1 1 30 30 SER C C 30 171.004 171.004 175.701 -4.697 18098 700 1 2 . 1 1 30 30 SER CA C 30 61.818 61.818 61.383 0.435 18098 701 1 2 . 1 1 30 30 SER CB C 30 63.196 63.196 63.819 -0.624 18098 702 1 2 . 1 1 30 30 SER H H 30 7.643 7.643 7.913 -0.270 18098 703 1 2 . 1 1 31 31 ARG N N 31 114.000 114.000 120.026 -6.026 18098 704 1 2 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.259 0.367 18098 705 1 2 . 1 1 31 31 ARG C C 31 176.556 176.556 176.486 0.070 18098 706 1 2 . 1 1 31 31 ARG CA C 31 55.010 55.010 57.081 -2.071 18098 707 1 2 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.311 0.348 18098 708 1 2 . 1 1 31 31 ARG H H 31 6.987 6.987 7.608 -0.621 18098 709 1 2 . 1 1 32 32 LYS N N 32 120.507 120.507 121.663 -1.156 18098 710 1 2 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.241 0.264 18098 711 1 2 . 1 1 32 32 LYS C C 32 176.577 176.577 175.156 1.421 18098 712 1 2 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.541 -1.350 18098 713 1 2 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.032 -0.962 18098 714 1 2 . 1 1 32 32 LYS H H 32 7.245 7.245 7.596 -0.351 18098 715 1 2 . 1 1 33 33 ARG N N 33 119.630 119.630 122.303 -2.673 18098 716 1 2 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.389 0.087 18098 717 1 2 . 1 1 33 33 ARG C C 33 177.289 177.289 175.951 1.338 18098 718 1 2 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.369 -1.980 18098 719 1 2 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.876 -5.533 18098 720 1 2 . 1 1 33 33 ARG H H 33 8.831 8.831 8.194 0.637 18098 721 1 2 . 1 1 34 34 GLY N N 34 107.776 107.776 109.908 -2.132 18098 722 1 2 . 1 1 34 34 GLY CA C 34 45.913 45.913 46.074 -0.161 18098 723 1 2 . 1 1 34 34 GLY H H 34 8.652 8.652 8.400 0.252 18098 724 1 2 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.114 0.232 18098 725 1 2 . 1 1 35 35 ILE C C 35 175.624 175.624 176.183 -0.559 18098 726 1 2 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.774 -1.770 18098 727 1 2 . 1 1 35 35 ILE CB C 35 38.883 38.883 38.968 -0.085 18098 728 1 2 . 1 1 35 35 ILE H H 35 6.841 6.841 7.196 -0.355 18098 729 1 2 . 1 1 36 36 LEU N N 36 128.200 128.200 124.920 3.280 18098 730 1 2 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.031 -0.091 18098 731 1 2 . 1 1 36 36 LEU C C 36 177.994 177.994 177.903 0.091 18098 732 1 2 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.388 0.630 18098 733 1 2 . 1 1 36 36 LEU CB C 36 41.883 41.883 41.283 0.600 18098 734 1 2 . 1 1 36 36 LEU H H 36 8.518 8.518 8.592 -0.074 18098 735 1 2 . 1 1 37 37 GLU N N 37 118.515 118.515 117.582 0.933 18098 736 1 2 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.863 -0.323 18098 737 1 2 . 1 1 37 37 GLU C C 37 179.332 179.332 178.520 0.812 18098 738 1 2 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.987 1.520 18098 739 1 2 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.221 -0.486 18098 740 1 2 . 1 1 37 37 GLU H H 37 9.964 9.964 8.234 1.730 18098 741 1 2 . 1 1 38 38 THR N N 38 111.283 111.283 113.441 -2.158 18098 742 1 2 . 1 1 38 38 THR HA H 38 3.867 3.867 4.012 -0.145 18098 743 1 2 . 1 1 38 38 THR C C 38 175.061 175.061 175.961 -0.900 18098 744 1 2 . 1 1 38 38 THR CA C 38 65.735 65.735 66.522 -0.787 18098 745 1 2 . 1 1 38 38 THR CB C 38 67.623 67.623 68.249 -0.626 18098 746 1 2 . 1 1 38 38 THR H H 38 6.425 6.425 7.638 -1.213 18098 747 1 2 . 1 1 39 39 ASP N N 39 124.325 124.325 123.413 0.912 18098 748 1 2 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.297 0.216 18098 749 1 2 . 1 1 39 39 ASP C C 39 179.225 179.225 178.197 1.028 18098 750 1 2 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.407 -0.309 18098 751 1 2 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.795 1.088 18098 752 1 2 . 1 1 39 39 ASP H H 39 7.997 7.997 7.453 0.544 18098 753 1 2 . 1 1 40 40 LEU N N 40 118.757 118.757 118.850 -0.093 18098 754 1 2 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.069 -0.058 18098 755 1 2 . 1 1 40 40 LEU C C 40 180.528 180.528 179.634 0.894 18098 756 1 2 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.367 0.725 18098 757 1 2 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.703 0.095 18098 758 1 2 . 1 1 40 40 LEU H H 40 8.623 8.623 7.884 0.739 18098 759 1 2 . 1 1 41 41 LEU N N 41 119.923 119.923 120.494 -0.571 18098 760 1 2 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.176 0.217 18098 761 1 2 . 1 1 41 41 LEU C C 41 177.631 177.631 178.542 -0.911 18098 762 1 2 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.081 0.276 18098 763 1 2 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.992 1.347 18098 764 1 2 . 1 1 41 41 LEU H H 41 7.382 7.382 7.311 0.071 18098 765 1 2 . 1 1 42 42 LEU N N 42 115.623 115.623 117.805 -2.182 18098 766 1 2 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.106 0.167 18098 767 1 2 . 1 1 42 42 LEU C C 42 179.489 179.489 179.481 0.008 18098 768 1 2 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.888 -0.319 18098 769 1 2 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.544 -1.060 18098 770 1 2 . 1 1 42 42 LEU H H 42 8.963 8.963 8.409 0.554 18098 771 1 2 . 1 1 43 43 SER N N 43 115.349 115.349 115.887 -0.538 18098 772 1 2 . 1 1 43 43 SER HA H 43 4.039 4.039 4.270 -0.231 18098 773 1 2 . 1 1 43 43 SER C C 43 178.200 178.200 177.093 1.107 18098 774 1 2 . 1 1 43 43 SER CA C 43 62.665 62.665 61.951 0.714 18098 775 1 2 . 1 1 43 43 SER CB C 43 62.476 62.476 62.545 -0.069 18098 776 1 2 . 1 1 43 43 SER H H 43 8.535 8.535 8.625 -0.090 18098 777 1 2 . 1 1 44 44 GLY N N 44 110.034 110.034 109.879 0.155 18098 778 1 2 . 1 1 44 44 GLY C C 44 175.624 175.624 175.618 0.006 18098 779 1 2 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.852 0.291 18098 780 1 2 . 1 1 44 44 GLY H H 44 7.812 7.812 7.681 0.131 18098 781 1 2 . 1 1 45 45 PHE N N 45 125.487 125.487 122.701 2.786 18098 782 1 2 . 1 1 45 45 PHE HA H 45 2.938 2.938 2.892 0.046 18098 783 1 2 . 1 1 45 45 PHE C C 45 177.482 177.482 176.462 1.020 18098 784 1 2 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.353 0.892 18098 785 1 2 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.648 1.271 18098 786 1 2 . 1 1 45 45 PHE H H 45 8.542 8.542 7.906 0.636 18098 787 1 2 . 1 1 46 46 ALA N N 46 121.034 121.034 121.097 -0.063 18098 788 1 2 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.544 0.188 18098 789 1 2 . 1 1 46 46 ALA C C 46 179.916 179.916 178.836 1.080 18098 790 1 2 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.785 -0.076 18098 791 1 2 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.115 -0.018 18098 792 1 2 . 1 1 46 46 ALA H H 46 9.262 9.262 8.162 1.100 18098 793 1 2 . 1 1 47 47 ALA N N 47 117.642 117.642 120.107 -2.465 18098 794 1 2 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.046 -0.075 18098 795 1 2 . 1 1 47 47 ALA C C 47 178.250 178.250 178.804 -0.554 18098 796 1 2 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.560 -0.177 18098 797 1 2 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.401 -0.200 18098 798 1 2 . 1 1 47 47 ALA H H 47 7.481 7.481 7.614 -0.133 18098 799 1 2 . 1 1 48 48 LYS N N 48 115.388 115.388 117.262 -1.874 18098 800 1 2 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.192 -0.092 18098 801 1 2 . 1 1 48 48 LYS C C 48 177.845 177.845 178.825 -0.980 18098 802 1 2 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.478 -0.718 18098 803 1 2 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.351 0.435 18098 804 1 2 . 1 1 48 48 LYS H H 48 7.056 7.056 7.509 -0.453 18098 805 1 2 . 1 1 49 49 TYR N N 49 112.714 112.714 117.399 -4.685 18098 806 1 2 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.126 0.170 18098 807 1 2 . 1 1 49 49 TYR C C 49 178.272 178.272 177.776 0.496 18098 808 1 2 . 1 1 49 49 TYR CA C 49 60.123 60.123 59.754 0.369 18098 809 1 2 . 1 1 49 49 TYR CB C 49 40.260 40.260 37.968 2.292 18098 810 1 2 . 1 1 49 49 TYR H H 49 7.941 7.941 7.914 0.027 18098 811 1 2 . 1 1 50 50 LEU N N 50 120.890 120.890 118.588 2.302 18098 812 1 2 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.797 0.178 18098 813 1 2 . 1 1 50 50 LEU C C 50 180.108 180.108 177.941 2.167 18098 814 1 2 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.569 2.140 18098 815 1 2 . 1 1 50 50 LEU CB C 50 40.837 40.837 40.880 -0.043 18098 816 1 2 . 1 1 50 50 LEU H H 50 7.945 7.945 7.636 0.309 18098 817 1 2 . 1 1 51 51 LYS N N 51 115.335 115.335 117.445 -2.110 18098 818 1 2 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.906 -0.048 18098 819 1 2 . 1 1 51 51 LYS C C 51 176.051 176.051 177.849 -1.798 18098 820 1 2 . 1 1 51 51 LYS CA C 51 58.805 58.805 59.136 -0.331 18098 821 1 2 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.341 -0.834 18098 822 1 2 . 1 1 51 51 LYS H H 51 8.463 8.463 7.477 0.986 18098 823 1 2 . 1 1 52 52 LYS N N 52 115.175 115.175 115.014 0.161 18098 824 1 2 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.156 0.254 18098 825 1 2 . 1 1 52 52 LYS C C 52 176.777 176.777 177.271 -0.494 18098 826 1 2 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.491 -1.406 18098 827 1 2 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.388 0.729 18098 828 1 2 . 1 1 52 52 LYS H H 52 7.232 7.232 7.427 -0.195 18098 829 1 2 . 1 1 53 53 MET N N 53 120.127 120.127 120.683 -0.556 18098 830 1 2 . 1 1 53 53 MET HA H 53 4.485 4.485 4.440 0.045 18098 831 1 2 . 1 1 53 53 MET C C 53 176.179 176.179 174.915 1.264 18098 832 1 2 . 1 1 53 53 MET CA C 53 57.091 57.091 55.736 1.355 18098 833 1 2 . 1 1 53 53 MET CB C 53 34.125 34.125 33.644 0.481 18098 834 1 2 . 1 1 53 53 MET H H 53 7.175 7.175 7.468 -0.293 18098 835 1 2 . 1 1 54 54 ASN N N 54 120.819 120.819 121.044 -0.225 18098 836 1 2 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.790 -0.025 18098 837 1 2 . 1 1 54 54 ASN C C 54 175.154 175.154 176.334 -1.180 18098 838 1 2 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.539 -1.598 18098 839 1 2 . 1 1 54 54 ASN CB C 54 38.535 38.535 41.045 -2.510 18098 840 1 2 . 1 1 54 54 ASN H H 54 9.045 9.045 8.644 0.401 18098 841 1 2 . 1 1 55 55 GLU N N 55 116.971 116.971 120.289 -3.318 18098 842 1 2 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.951 -0.127 18098 843 1 2 . 1 1 55 55 GLU C C 55 178.122 178.122 178.508 -0.386 18098 844 1 2 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.738 0.514 18098 845 1 2 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.420 0.249 18098 846 1 2 . 1 1 55 55 GLU H H 55 8.891 8.891 8.902 -0.011 18098 847 1 2 . 1 1 56 56 GLU N N 56 119.652 119.652 117.182 2.470 18098 848 1 2 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.278 -0.141 18098 849 1 2 . 1 1 56 56 GLU C C 56 179.937 179.937 179.258 0.679 18098 850 1 2 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.076 0.740 18098 851 1 2 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.376 -0.294 18098 852 1 2 . 1 1 56 56 GLU H H 56 8.366 8.366 8.612 -0.246 18098 853 1 2 . 1 1 57 57 GLU N N 57 122.119 122.119 119.947 2.172 18098 854 1 2 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.105 0.160 18098 855 1 2 . 1 1 57 57 GLU C C 57 179.332 179.332 179.180 0.152 18098 856 1 2 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.956 0.203 18098 857 1 2 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.526 -0.226 18098 858 1 2 . 1 1 57 57 GLU H H 57 8.491 8.491 7.647 0.844 18098 859 1 2 . 1 1 58 58 LEU N N 58 119.424 119.424 118.051 1.373 18098 860 1 2 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.105 0.031 18098 861 1 2 . 1 1 58 58 LEU C C 58 179.218 179.218 179.114 0.104 18098 862 1 2 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.017 -0.332 18098 863 1 2 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.667 0.183 18098 864 1 2 . 1 1 58 58 LEU H H 58 8.693 8.693 8.005 0.688 18098 865 1 2 . 1 1 59 59 GLU N N 59 118.813 118.813 118.259 0.554 18098 866 1 2 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.040 0.260 18098 867 1 2 . 1 1 59 59 GLU C C 59 179.361 179.361 179.040 0.321 18098 868 1 2 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.623 -0.584 18098 869 1 2 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.098 0.007 18098 870 1 2 . 1 1 59 59 GLU H H 59 8.009 8.009 7.972 0.037 18098 871 1 2 . 1 1 60 60 GLU N N 60 121.472 121.472 120.398 1.074 18098 872 1 2 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.185 0.071 18098 873 1 2 . 1 1 60 60 GLU C C 60 178.451 178.451 178.704 -0.253 18098 874 1 2 . 1 1 60 60 GLU CA C 60 59.649 59.649 59.016 0.633 18098 875 1 2 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.662 0.102 18098 876 1 2 . 1 1 60 60 GLU H H 60 7.867 7.867 7.881 -0.014 18098 877 1 2 . 1 1 61 61 TYR N N 61 121.955 121.955 119.898 2.057 18098 878 1 2 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.308 -0.174 18098 879 1 2 . 1 1 61 61 TYR C C 61 176.278 176.278 177.550 -1.272 18098 880 1 2 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.846 1.325 18098 881 1 2 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.660 -0.470 18098 882 1 2 . 1 1 61 61 TYR H H 61 8.675 8.675 7.777 0.898 18098 883 1 2 . 1 1 62 62 ASP N N 62 118.314 118.314 118.621 -0.307 18098 884 1 2 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.248 0.015 18098 885 1 2 . 1 1 62 62 ASP C C 62 178.464 178.464 178.520 -0.056 18098 886 1 2 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.101 -0.356 18098 887 1 2 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.707 0.838 18098 888 1 2 . 1 1 62 62 ASP H H 62 8.481 8.481 8.040 0.441 18098 889 1 2 . 1 1 63 63 SER N N 63 111.380 111.380 115.093 -3.713 18098 890 1 2 . 1 1 63 63 SER HA H 63 4.361 4.361 4.272 0.089 18098 891 1 2 . 1 1 63 63 SER C C 63 178.763 178.763 176.710 2.053 18098 892 1 2 . 1 1 63 63 SER CA C 63 61.824 61.824 61.178 0.646 18098 893 1 2 . 1 1 63 63 SER CB C 63 62.830 62.830 63.469 -0.639 18098 894 1 2 . 1 1 63 63 SER H H 63 7.779 7.779 7.729 0.050 18098 895 1 2 . 1 1 64 64 LEU N N 64 127.444 127.444 123.652 3.792 18098 896 1 2 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.153 -0.097 18098 897 1 2 . 1 1 64 64 LEU C C 64 177.688 177.688 177.600 0.088 18098 898 1 2 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.317 0.734 18098 899 1 2 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.780 -1.605 18098 900 1 2 . 1 1 64 64 LEU H H 64 8.616 8.616 7.419 1.197 18098 901 1 2 . 1 1 65 65 LEU N N 65 114.503 114.503 117.671 -3.168 18098 902 1 2 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.876 -0.108 18098 903 1 2 . 1 1 65 65 LEU C C 65 178.506 178.506 177.981 0.525 18098 904 1 2 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.050 -0.685 18098 905 1 2 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.669 -0.206 18098 906 1 2 . 1 1 65 65 LEU H H 65 7.700 7.700 7.555 0.145 18098 907 1 2 . 1 1 66 66 ASN N N 66 116.208 116.208 116.468 -0.260 18098 908 1 2 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.690 0.049 18098 909 1 2 . 1 1 66 66 ASN C C 66 176.008 176.008 175.512 0.496 18098 910 1 2 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.059 -0.173 18098 911 1 2 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.912 0.347 18098 912 1 2 . 1 1 66 66 ASN H H 66 7.533 7.533 7.737 -0.204 18098 913 1 2 . 1 1 67 67 GLU N N 67 120.300 120.300 120.725 -0.425 18098 914 1 2 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.569 -0.080 18098 915 1 2 . 1 1 67 67 GLU C C 67 175.410 175.410 175.716 -0.306 18098 916 1 2 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.205 -0.239 18098 917 1 2 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.961 -2.541 18098 918 1 2 . 1 1 67 67 GLU H H 67 7.948 7.948 7.594 0.354 18098 919 1 2 . 1 1 68 68 LEU N N 68 120.037 120.037 121.894 -1.857 18098 920 1 2 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.330 -0.200 18098 921 1 2 . 1 1 68 68 LEU C C 68 178.720 178.720 177.952 0.768 18098 922 1 2 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.277 0.429 18098 923 1 2 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.338 -0.830 18098 924 1 2 . 1 1 68 68 LEU H H 68 9.451 9.451 8.403 1.048 18098 925 1 2 . 1 1 69 69 ASP N N 69 120.774 120.774 123.925 -3.151 18098 926 1 2 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.089 0.088 18098 927 1 2 . 1 1 69 69 ASP C C 69 179.446 179.446 177.814 1.632 18098 928 1 2 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.104 1.533 18098 929 1 2 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.043 0.811 18098 930 1 2 . 1 1 69 69 ASP H H 69 8.445 8.445 8.711 -0.266 18098 931 1 2 . 1 1 70 70 TRP N N 70 117.865 117.865 120.200 -2.335 18098 932 1 2 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.081 0.037 18098 933 1 2 . 1 1 70 70 TRP C C 70 176.983 176.983 178.364 -1.381 18098 934 1 2 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.140 -0.037 18098 935 1 2 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.170 -0.779 18098 936 1 2 . 1 1 70 70 TRP H H 70 8.809 8.809 7.869 0.940 18098 937 1 2 . 1 1 71 71 ASP N N 71 116.993 116.993 119.153 -2.160 18098 938 1 2 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.957 -0.095 18098 939 1 2 . 1 1 71 71 ASP C C 71 175.218 175.218 177.728 -2.510 18098 940 1 2 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.933 -0.480 18098 941 1 2 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.824 -1.101 18098 942 1 2 . 1 1 71 71 ASP H H 71 6.134 6.134 7.533 -1.399 18098 943 1 2 . 1 1 72 72 ILE N N 72 115.361 115.361 119.847 -4.486 18098 944 1 2 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.337 -0.465 18098 945 1 2 . 1 1 72 72 ILE C C 72 177.097 177.097 177.607 -0.510 18098 946 1 2 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.818 1.301 18098 947 1 2 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.617 0.662 18098 948 1 2 . 1 1 72 72 ILE H H 72 7.302 7.302 7.572 -0.270 18098 949 1 2 . 1 1 73 73 TYR N N 73 116.121 116.121 120.832 -4.711 18098 950 1 2 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.890 -0.149 18098 951 1 2 . 1 1 73 73 TYR C C 73 178.827 178.827 177.253 1.574 18098 952 1 2 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.028 0.122 18098 953 1 2 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.355 -0.183 18098 954 1 2 . 1 1 73 73 TYR H H 73 7.327 7.327 7.598 -0.271 18098 955 1 2 . 1 1 74 74 TYR N N 74 121.029 121.029 117.406 3.623 18098 956 1 2 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.277 -0.001 18098 957 1 2 . 1 1 74 74 TYR C C 74 178.165 178.165 177.765 0.400 18098 958 1 2 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.723 -0.446 18098 959 1 2 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.573 -1.789 18098 960 1 2 . 1 1 74 74 TYR H H 74 8.922 8.922 7.676 1.246 18098 961 1 2 . 1 1 75 75 TRP N N 75 121.118 121.118 118.950 2.168 18098 962 1 2 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.243 0.512 18098 963 1 2 . 1 1 75 75 TRP C C 75 180.599 180.599 177.596 3.003 18098 964 1 2 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.286 -0.516 18098 965 1 2 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.045 0.366 18098 966 1 2 . 1 1 75 75 TRP H H 75 9.201 9.201 7.690 1.511 18098 967 1 2 . 1 1 76 76 ALA N N 76 122.129 122.129 120.844 1.285 18098 968 1 2 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.223 -0.267 18098 969 1 2 . 1 1 76 76 ALA C C 76 177.546 177.546 178.088 -0.542 18098 970 1 2 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.179 2.021 18098 971 1 2 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.051 0.174 18098 972 1 2 . 1 1 76 76 ALA H H 76 8.761 8.761 7.519 1.242 18098 973 1 2 . 1 1 77 77 THR N N 77 102.584 102.584 112.971 -10.387 18098 974 1 2 . 1 1 77 77 THR HA H 77 4.192 4.192 4.085 0.107 18098 975 1 2 . 1 1 77 77 THR C C 77 173.425 173.425 174.403 -0.978 18098 976 1 2 . 1 1 77 77 THR CA C 77 60.767 60.767 61.295 -0.528 18098 977 1 2 . 1 1 77 77 THR CB C 77 69.573 69.573 68.376 1.197 18098 978 1 2 . 1 1 77 77 THR H H 77 7.411 7.411 7.479 -0.068 18098 979 1 2 . 1 1 78 78 LYS N N 78 116.069 116.069 128.472 -12.403 18098 980 1 2 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.985 -1.155 18098 981 1 2 . 1 1 78 78 LYS C C 78 174.514 174.514 175.698 -1.184 18098 982 1 2 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.047 0.195 18098 983 1 2 . 1 1 78 78 LYS CB C 78 28.333 28.333 31.049 -2.716 18098 984 1 2 . 1 1 78 78 LYS H H 78 7.420 7.420 8.672 -1.252 18098 985 1 2 . 1 1 79 79 ASN N N 79 120.318 120.318 119.810 0.508 18098 986 1 2 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.884 -0.087 18098 987 1 2 . 1 1 79 79 ASN C C 79 175.581 175.581 175.703 -0.122 18098 988 1 2 . 1 1 79 79 ASN CA C 79 50.595 50.595 53.753 -3.158 18098 989 1 2 . 1 1 79 79 ASN CB C 79 36.999 36.999 39.870 -2.871 18098 990 1 2 . 1 1 79 79 ASN H H 79 8.828 8.828 8.091 0.737 18098 991 1 2 . 1 1 80 80 PHE N N 80 120.545 120.545 114.939 5.606 18098 992 1 2 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.438 0.431 18098 993 1 2 . 1 1 80 80 PHE C C 80 177.311 177.311 175.888 1.423 18098 994 1 2 . 1 1 80 80 PHE CA C 80 56.745 56.745 58.731 -1.986 18098 995 1 2 . 1 1 80 80 PHE CB C 80 38.211 38.211 36.770 1.441 18098 996 1 2 . 1 1 80 80 PHE H H 80 7.581 7.581 7.494 0.087 18098 997 1 2 . 1 1 81 81 LYS N N 81 118.568 118.568 117.090 1.478 18098 998 1 2 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.194 -0.133 18098 999 1 2 . 1 1 81 81 LYS C C 81 177.845 177.845 176.016 1.829 18098 1000 1 2 . 1 1 81 81 LYS CA C 81 58.508 58.508 57.596 0.912 18098 1001 1 2 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.959 0.132 18098 1002 1 2 . 1 1 81 81 LYS H H 81 7.999 7.999 8.118 -0.119 18098 1003 1 2 . 1 1 82 82 THR N N 82 111.828 111.828 109.350 2.478 18098 1004 1 2 . 1 1 82 82 THR HA H 82 4.098 4.098 4.268 -0.170 18098 1005 1 2 . 1 1 82 82 THR C C 82 174.556 174.556 173.443 1.113 18098 1006 1 2 . 1 1 82 82 THR CA C 82 63.796 63.796 62.443 1.353 18098 1007 1 2 . 1 1 82 82 THR CB C 82 68.509 68.509 68.754 -0.245 18098 1008 1 2 . 1 1 82 82 THR H H 82 7.419 7.419 7.606 -0.187 18098 1009 1 2 . 1 1 83 83 SER N N 83 115.546 115.546 119.667 -4.121 18098 1010 1 2 . 1 1 83 83 SER HA H 83 5.000 5.000 5.001 -0.001 18098 1011 1 2 . 1 1 83 83 SER C C 83 170.371 170.371 172.623 -2.252 18098 1012 1 2 . 1 1 83 83 SER CA C 83 54.673 54.673 56.488 -1.815 18098 1013 1 2 . 1 1 83 83 SER CB C 83 63.763 63.763 64.310 -0.547 18098 1014 1 2 . 1 1 83 83 SER H H 83 7.312 7.312 7.953 -0.641 18098 1015 1 2 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.779 -0.224 18098 1016 1 2 . 1 1 84 84 PRO C C 84 176.855 176.855 176.250 0.605 18098 1017 1 2 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.659 -0.119 18098 1018 1 2 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.627 -0.544 18098 1019 1 2 . 1 1 85 85 LEU N N 85 125.147 125.147 122.401 2.746 18098 1020 1 2 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.471 -0.658 18098 1021 1 2 . 1 1 85 85 LEU C C 85 175.168 175.168 175.280 -0.112 18098 1022 1 2 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.080 0.258 18098 1023 1 2 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.540 0.820 18098 1024 1 2 . 1 1 85 85 LEU H H 85 8.171 8.171 8.353 -0.182 18098 1025 1 2 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.673 -0.165 18098 1026 1 2 . 1 1 86 86 PRO C C 86 177.111 177.111 176.672 0.439 18098 1027 1 2 . 1 1 86 86 PRO CA C 86 62.261 62.261 61.995 0.266 18098 1028 1 2 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.931 -0.156 18098 1029 1 2 . 1 1 87 87 ASP N N 87 123.224 123.224 121.309 1.915 18098 1030 1 2 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.206 -0.051 18098 1031 1 2 . 1 1 87 87 ASP C C 87 178.392 178.392 177.757 0.635 18098 1032 1 2 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.539 -0.040 18098 1033 1 2 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.348 -0.228 18098 1034 1 2 . 1 1 87 87 ASP H H 87 8.649 8.649 8.553 0.096 18098 1035 1 2 . 1 1 88 88 LYS N N 88 115.960 115.960 117.456 -1.496 18098 1036 1 2 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.825 0.006 18098 1037 1 2 . 1 1 88 88 LYS C C 88 176.585 176.585 177.182 -0.597 18098 1038 1 2 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.527 -0.268 18098 1039 1 2 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.381 0.353 18098 1040 1 2 . 1 1 88 88 LYS H H 88 8.344 8.344 8.430 -0.086 18098 1041 1 2 . 1 1 89 89 TRP N N 89 116.821 116.821 118.193 -1.372 18098 1042 1 2 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.773 0.041 18098 1043 1 2 . 1 1 89 89 TRP C C 89 176.329 176.329 178.640 -2.311 18098 1044 1 2 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.761 -0.614 18098 1045 1 2 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.466 1.036 18098 1046 1 2 . 1 1 89 89 TRP H H 89 7.145 7.145 7.323 -0.178 18098 1047 1 2 . 1 1 90 90 ALA N N 90 122.680 122.680 124.455 -1.775 18098 1048 1 2 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.010 -0.144 18098 1049 1 2 . 1 1 90 90 ALA C C 90 177.965 177.965 177.832 0.133 18098 1050 1 2 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.919 -0.208 18098 1051 1 2 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.495 -0.116 18098 1052 1 2 . 1 1 90 90 ALA H H 90 7.456 7.456 7.796 -0.340 18098 1053 1 2 . 1 1 91 91 ASN N N 91 114.054 114.054 113.401 0.653 18098 1054 1 2 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.837 -0.022 18098 1055 1 2 . 1 1 91 91 ASN C C 91 174.727 174.727 174.479 0.248 18098 1056 1 2 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.579 -0.190 18098 1057 1 2 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.934 -0.227 18098 1058 1 2 . 1 1 91 91 ASN H H 91 8.318 8.318 7.818 0.500 18098 1059 1 2 . 1 1 92 92 SER N N 92 113.359 113.359 117.574 -4.215 18098 1060 1 2 . 1 1 92 92 SER HA H 92 4.649 4.649 4.603 0.046 18098 1061 1 2 . 1 1 92 92 SER C C 92 177.033 177.033 174.408 2.625 18098 1062 1 2 . 1 1 92 92 SER CA C 92 57.599 57.599 58.230 -0.631 18098 1063 1 2 . 1 1 92 92 SER CB C 92 64.454 64.454 64.474 -0.020 18098 1064 1 2 . 1 1 92 92 SER H H 92 7.255 7.255 7.424 -0.169 18098 1065 1 2 . 1 1 93 93 LYS N N 93 133.672 133.672 128.087 5.585 18098 1066 1 2 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.190 -0.060 18098 1067 1 2 . 1 1 93 93 LYS C C 93 178.763 178.763 177.945 0.818 18098 1068 1 2 . 1 1 93 93 LYS CA C 93 59.129 59.129 58.133 0.996 18098 1069 1 2 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.103 -0.020 18098 1070 1 2 . 1 1 93 93 LYS H H 93 9.608 9.608 9.189 0.419 18098 1071 1 2 . 1 1 94 94 LEU N N 94 122.086 122.086 121.206 0.880 18098 1072 1 2 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.209 0.142 18098 1073 1 2 . 1 1 94 94 LEU C C 94 178.663 178.663 178.220 0.443 18098 1074 1 2 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.583 -1.347 18098 1075 1 2 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.902 -0.741 18098 1076 1 2 . 1 1 94 94 LEU H H 94 8.000 8.000 7.941 0.059 18098 1077 1 2 . 1 1 95 95 LEU N N 95 118.720 118.720 118.250 0.470 18098 1078 1 2 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.912 0.013 18098 1079 1 2 . 1 1 95 95 LEU C C 95 178.530 178.530 178.280 0.250 18098 1080 1 2 . 1 1 95 95 LEU CA C 95 57.381 57.381 57.984 -0.604 18098 1081 1 2 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.681 -0.757 18098 1082 1 2 . 1 1 95 95 LEU H H 95 7.997 7.997 7.782 0.215 18098 1083 1 2 . 1 1 96 96 LYS N N 96 117.880 117.880 118.273 -0.393 18098 1084 1 2 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.304 -0.048 18098 1085 1 2 . 1 1 96 96 LYS C C 96 179.147 179.147 179.431 -0.284 18098 1086 1 2 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.343 0.119 18098 1087 1 2 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.081 -0.161 18098 1088 1 2 . 1 1 96 96 LYS H H 96 7.341 7.341 7.618 -0.277 18098 1089 1 2 . 1 1 97 97 GLN N N 97 119.660 119.660 118.229 1.431 18098 1090 1 2 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.505 -0.311 18098 1091 1 2 . 1 1 97 97 GLN C C 97 179.040 179.040 178.497 0.543 18098 1092 1 2 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.555 0.527 18098 1093 1 2 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.727 0.320 18098 1094 1 2 . 1 1 97 97 GLN H H 97 8.007 8.007 8.308 -0.301 18098 1095 1 2 . 1 1 98 98 LEU N N 98 122.983 122.983 121.230 1.753 18098 1096 1 2 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.536 0.315 18098 1097 1 2 . 1 1 98 98 LEU C C 98 178.841 178.841 178.562 0.279 18098 1098 1 2 . 1 1 98 98 LEU CA C 98 58.081 58.081 56.928 1.153 18098 1099 1 2 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.297 0.599 18098 1100 1 2 . 1 1 98 98 LEU H H 98 8.425 8.425 7.744 0.681 18098 1101 1 2 . 1 1 99 99 GLN N N 99 119.099 119.099 118.249 0.850 18098 1102 1 2 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.077 0.563 18098 1103 1 2 . 1 1 99 99 GLN C C 99 179.660 179.660 178.485 1.175 18098 1104 1 2 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.123 -1.307 18098 1105 1 2 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.804 -1.387 18098 1106 1 2 . 1 1 99 99 GLN H H 99 8.594 8.594 8.312 0.282 18098 1107 1 2 . 1 1 100 100 GLU N N 100 120.803 120.803 119.277 1.526 18098 1108 1 2 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.096 0.015 18098 1109 1 2 . 1 1 100 100 GLU C C 100 178.870 178.870 178.812 0.058 18098 1110 1 2 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.837 0.613 18098 1111 1 2 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.364 0.016 18098 1112 1 2 . 1 1 100 100 GLU H H 100 8.353 8.353 7.998 0.355 18098 1113 1 2 . 1 1 101 101 PHE N N 101 120.752 120.752 122.202 -1.450 18098 1114 1 2 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.380 0.093 18098 1115 1 2 . 1 1 101 101 PHE C C 101 177.289 177.289 177.158 0.131 18098 1116 1 2 . 1 1 101 101 PHE CA C 101 61.117 61.117 59.974 1.143 18098 1117 1 2 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.379 0.324 18098 1118 1 2 . 1 1 101 101 PHE H H 101 8.544 8.544 8.087 0.457 18098 1119 1 2 . 1 1 102 102 SER N N 102 112.889 112.889 113.898 -1.009 18098 1120 1 2 . 1 1 102 102 SER HA H 102 3.821 3.821 3.896 -0.075 18098 1121 1 2 . 1 1 102 102 SER C C 102 176.414 176.414 176.392 0.022 18098 1122 1 2 . 1 1 102 102 SER CA C 102 61.123 61.123 61.966 -0.843 18098 1123 1 2 . 1 1 102 102 SER CB C 102 63.193 63.193 62.624 0.569 18098 1124 1 2 . 1 1 102 102 SER H H 102 8.314 8.314 8.066 0.248 18098 1125 1 2 . 1 1 103 103 GLU N N 103 118.066 118.066 119.438 -1.372 18098 1126 1 2 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.093 0.021 18098 1127 1 2 . 1 1 103 103 GLU C C 103 177.375 177.375 178.221 -0.846 18098 1128 1 2 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.694 -0.893 18098 1129 1 2 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.416 0.610 18098 1130 1 2 . 1 1 103 103 GLU H H 103 7.809 7.809 7.516 0.293 18098 1131 1 2 . 1 1 104 104 ASN N N 104 117.241 117.241 117.044 0.197 18098 1132 1 2 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.722 -0.075 18098 1133 1 2 . 1 1 104 104 ASN C C 104 175.752 175.752 177.530 -1.778 18098 1134 1 2 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.883 -0.144 18098 1135 1 2 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.595 0.027 18098 1136 1 2 . 1 1 104 104 ASN H H 104 7.917 7.917 7.632 0.285 18098 1137 1 2 . 1 1 105 105 LYS N N 105 121.903 121.903 119.098 2.805 18098 1138 1 2 . 1 1 105 105 LYS HA H 105 4.068 4.068 4.161 -0.093 18098 1139 1 2 . 1 1 105 105 LYS C C 105 177.311 177.311 177.367 -0.056 18098 1140 1 2 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.241 -0.867 18098 1141 1 2 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.291 0.746 18098 1142 1 2 . 1 1 105 105 LYS H H 105 8.093 8.093 7.892 0.201 18098 1143 1 2 . 1 1 106 106 GLU N N 106 119.595 119.595 115.969 3.626 18098 1144 1 2 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.401 -0.132 18098 1145 1 2 . 1 1 106 106 GLU C C 106 176.585 176.585 176.553 0.032 18098 1146 1 2 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.601 0.090 18098 1147 1 2 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.950 -0.250 18098 1148 1 2 . 1 1 106 106 GLU H H 106 8.200 8.200 7.954 0.246 18098 1149 1 2 . 1 1 107 107 LYS N N 107 120.538 120.538 118.043 2.495 18098 1150 1 2 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.376 -0.109 18098 1151 1 2 . 1 1 107 107 LYS C C 107 176.435 176.435 176.660 -0.225 18098 1152 1 2 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.415 0.037 18098 1153 1 2 . 1 1 107 107 LYS CB C 107 33.110 33.110 33.209 -0.098 18098 1154 1 2 . 1 1 107 107 LYS H H 107 7.838 7.838 7.494 0.344 18098 1155 1 2 . 1 1 108 108 GLU N N 108 122.869 122.869 120.148 2.721 18098 1156 1 2 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.497 -0.180 18098 1157 1 2 . 1 1 108 108 GLU C C 108 175.403 175.403 175.997 -0.594 18098 1158 1 2 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.566 0.999 18098 1159 1 2 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.922 -0.865 18098 1160 1 2 . 1 1 108 108 GLU H H 108 8.313 8.313 7.904 0.409 18098 1161 1 3 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.724 -0.082 18098 1162 1 3 . 1 1 10 10 HIS C C 10 174.891 174.891 175.156 -0.265 18098 1163 1 3 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.748 0.282 18098 1164 1 3 . 1 1 10 10 HIS CB C 10 30.113 30.113 29.842 0.271 18098 1165 1 3 . 1 1 11 11 MET N N 11 121.211 121.211 125.144 -3.933 18098 1166 1 3 . 1 1 11 11 MET HA H 11 4.417 4.417 4.476 -0.059 18098 1167 1 3 . 1 1 11 11 MET C C 11 175.709 175.709 175.713 -0.004 18098 1168 1 3 . 1 1 11 11 MET CA C 11 55.405 55.405 55.106 0.299 18098 1169 1 3 . 1 1 11 11 MET CB C 11 32.776 32.776 31.387 1.389 18098 1170 1 3 . 1 1 11 11 MET H H 11 8.179 8.179 8.859 -0.680 18098 1171 1 3 . 1 1 12 12 ILE N N 12 122.511 122.511 125.635 -3.124 18098 1172 1 3 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.196 -0.073 18098 1173 1 3 . 1 1 12 12 ILE C C 12 175.809 175.809 176.045 -0.236 18098 1174 1 3 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.240 -0.438 18098 1175 1 3 . 1 1 12 12 ILE CB C 12 38.531 38.531 38.043 0.488 18098 1176 1 3 . 1 1 12 12 ILE H H 12 8.088 8.088 7.956 0.132 18098 1177 1 3 . 1 1 13 13 LYS N N 13 126.072 126.072 129.107 -3.035 18098 1178 1 3 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.569 -0.241 18098 1179 1 3 . 1 1 13 13 LYS C C 13 176.108 176.108 176.175 -0.067 18098 1180 1 3 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.686 0.367 18098 1181 1 3 . 1 1 13 13 LYS CB C 13 32.915 32.915 31.217 1.698 18098 1182 1 3 . 1 1 13 13 LYS H H 13 8.381 8.381 8.694 -0.313 18098 1183 1 3 . 1 1 14 14 ARG N N 14 123.714 123.714 123.288 0.426 18098 1184 1 3 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.347 0.097 18098 1185 1 3 . 1 1 14 14 ARG C C 14 176.428 176.428 175.576 0.852 18098 1186 1 3 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.716 -0.974 18098 1187 1 3 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.852 -0.071 18098 1188 1 3 . 1 1 14 14 ARG H H 14 8.484 8.484 8.559 -0.075 18098 1189 1 3 . 1 1 15 15 THR N N 15 115.338 115.338 115.951 -0.613 18098 1190 1 3 . 1 1 15 15 THR HA H 15 4.367 4.367 4.328 0.039 18098 1191 1 3 . 1 1 15 15 THR C C 15 174.172 174.172 174.928 -0.756 18098 1192 1 3 . 1 1 15 15 THR CA C 15 61.501 61.501 64.030 -2.529 18098 1193 1 3 . 1 1 15 15 THR CB C 15 69.868 69.868 68.617 1.251 18098 1194 1 3 . 1 1 15 15 THR H H 15 8.279 8.279 7.909 0.370 18098 1195 1 3 . 1 1 16 16 ASN N N 16 120.727 120.727 120.465 0.262 18098 1196 1 3 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.332 0.346 18098 1197 1 3 . 1 1 16 16 ASN C C 16 174.482 174.482 173.857 0.625 18098 1198 1 3 . 1 1 16 16 ASN CA C 16 53.072 53.072 54.336 -1.264 18098 1199 1 3 . 1 1 16 16 ASN CB C 16 38.381 38.381 37.791 0.590 18098 1200 1 3 . 1 1 16 16 ASN H H 16 8.612 8.612 8.765 -0.153 18098 1201 1 3 . 1 1 17 17 GLU N N 17 123.790 123.790 121.033 2.757 18098 1202 1 3 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.602 -0.001 18098 1203 1 3 . 1 1 17 17 GLU C C 17 173.823 173.823 174.617 -0.794 18098 1204 1 3 . 1 1 17 17 GLU CA C 17 53.965 53.965 53.643 0.322 18098 1205 1 3 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.753 1.010 18098 1206 1 3 . 1 1 17 17 GLU H H 17 8.113 8.113 7.582 0.531 18098 1207 1 3 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.455 0.060 18098 1208 1 3 . 1 1 18 18 PRO C C 18 177.709 177.709 177.269 0.440 18098 1209 1 3 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.420 0.345 18098 1210 1 3 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.523 -0.042 18098 1211 1 3 . 1 1 19 19 LEU N N 19 123.760 123.760 124.118 -0.358 18098 1212 1 3 . 1 1 19 19 LEU HA H 19 4.006 4.006 3.963 0.043 18098 1213 1 3 . 1 1 19 19 LEU C C 19 178.307 178.307 178.571 -0.264 18098 1214 1 3 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.795 0.668 18098 1215 1 3 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.792 0.006 18098 1216 1 3 . 1 1 19 19 LEU H H 19 8.720 8.720 8.704 0.016 18098 1217 1 3 . 1 1 20 20 ASP N N 20 115.650 115.650 118.243 -2.593 18098 1218 1 3 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.317 0.044 18098 1219 1 3 . 1 1 20 20 ASP C C 20 179.531 179.531 178.205 1.326 18098 1220 1 3 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.925 -0.838 18098 1221 1 3 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.774 -1.453 18098 1222 1 3 . 1 1 20 20 ASP H H 20 8.829 8.829 8.834 -0.005 18098 1223 1 3 . 1 1 21 21 LYS N N 21 121.462 121.462 118.760 2.702 18098 1224 1 3 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.075 0.057 18098 1225 1 3 . 1 1 21 21 LYS C C 21 178.421 178.421 178.642 -0.221 18098 1226 1 3 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.831 -0.548 18098 1227 1 3 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.410 -0.430 18098 1228 1 3 . 1 1 21 21 LYS H H 21 7.352 7.352 7.503 -0.151 18098 1229 1 3 . 1 1 22 22 LYS N N 22 123.296 123.296 120.676 2.620 18098 1230 1 3 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.006 -0.016 18098 1231 1 3 . 1 1 22 22 LYS C C 22 178.179 178.179 178.308 -0.129 18098 1232 1 3 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.618 0.236 18098 1233 1 3 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.366 0.421 18098 1234 1 3 . 1 1 22 22 LYS H H 22 8.407 8.407 8.195 0.212 18098 1235 1 3 . 1 1 23 23 ARG N N 23 116.950 116.950 118.947 -1.997 18098 1236 1 3 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.950 -0.216 18098 1237 1 3 . 1 1 23 23 ARG C C 23 177.460 177.460 178.052 -0.592 18098 1238 1 3 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.536 0.969 18098 1239 1 3 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.136 0.131 18098 1240 1 3 . 1 1 23 23 ARG H H 23 8.594 8.594 8.066 0.528 18098 1241 1 3 . 1 1 24 24 ALA N N 24 118.391 118.391 121.109 -2.718 18098 1242 1 3 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.112 -0.068 18098 1243 1 3 . 1 1 24 24 ALA C C 24 180.514 180.514 179.517 0.997 18098 1244 1 3 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.019 0.050 18098 1245 1 3 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.138 -0.204 18098 1246 1 3 . 1 1 24 24 ALA H H 24 7.505 7.505 7.764 -0.259 18098 1247 1 3 . 1 1 25 25 ARG N N 25 120.413 120.413 119.334 1.079 18098 1248 1 3 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.153 0.054 18098 1249 1 3 . 1 1 25 25 ARG C C 25 178.058 178.058 178.790 -0.732 18098 1250 1 3 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.174 0.219 18098 1251 1 3 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.260 -0.648 18098 1252 1 3 . 1 1 25 25 ARG H H 25 8.291 8.291 7.805 0.486 18098 1253 1 3 . 1 1 26 26 LEU N N 26 119.205 119.205 119.896 -0.691 18098 1254 1 3 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.181 -0.036 18098 1255 1 3 . 1 1 26 26 LEU C C 26 180.642 180.642 179.165 1.477 18098 1256 1 3 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.798 -0.023 18098 1257 1 3 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.334 -0.634 18098 1258 1 3 . 1 1 26 26 LEU H H 26 8.305 8.305 8.135 0.170 18098 1259 1 3 . 1 1 27 27 ILE N N 27 123.643 123.643 118.901 4.742 18098 1260 1 3 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.794 -0.193 18098 1261 1 3 . 1 1 27 27 ILE C C 27 177.716 177.716 178.756 -1.040 18098 1262 1 3 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.270 0.881 18098 1263 1 3 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.781 0.060 18098 1264 1 3 . 1 1 27 27 ILE H H 27 8.488 8.488 8.007 0.481 18098 1265 1 3 . 1 1 28 28 TYR N N 28 121.443 121.443 120.685 0.758 18098 1266 1 3 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.062 0.153 18098 1267 1 3 . 1 1 28 28 TYR C C 28 178.656 178.656 177.283 1.373 18098 1268 1 3 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.931 -0.487 18098 1269 1 3 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.593 -0.759 18098 1270 1 3 . 1 1 28 28 TYR H H 28 7.832 7.832 8.040 -0.208 18098 1271 1 3 . 1 1 29 29 GLN N N 29 115.999 115.999 115.781 0.218 18098 1272 1 3 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.923 -0.062 18098 1273 1 3 . 1 1 29 29 GLN C C 29 178.537 178.537 177.829 0.708 18098 1274 1 3 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.548 0.648 18098 1275 1 3 . 1 1 29 29 GLN CB C 29 29.288 29.288 29.006 0.282 18098 1276 1 3 . 1 1 29 29 GLN H H 29 8.965 8.965 7.909 1.056 18098 1277 1 3 . 1 1 30 30 SER N N 30 115.599 115.599 116.665 -1.066 18098 1278 1 3 . 1 1 30 30 SER HA H 30 4.100 4.100 4.282 -0.182 18098 1279 1 3 . 1 1 30 30 SER C C 30 171.004 171.004 175.839 -4.835 18098 1280 1 3 . 1 1 30 30 SER CA C 30 61.818 61.818 61.763 0.055 18098 1281 1 3 . 1 1 30 30 SER CB C 30 63.196 63.196 63.656 -0.460 18098 1282 1 3 . 1 1 30 30 SER H H 30 7.643 7.643 8.077 -0.434 18098 1283 1 3 . 1 1 31 31 ARG N N 31 114.000 114.000 119.561 -5.561 18098 1284 1 3 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.612 0.014 18098 1285 1 3 . 1 1 31 31 ARG C C 31 176.556 176.556 176.219 0.337 18098 1286 1 3 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.678 -1.667 18098 1287 1 3 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.392 0.267 18098 1288 1 3 . 1 1 31 31 ARG H H 31 6.987 6.987 7.496 -0.509 18098 1289 1 3 . 1 1 32 32 LYS N N 32 120.507 120.507 120.547 -0.040 18098 1290 1 3 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.609 -0.104 18098 1291 1 3 . 1 1 32 32 LYS C C 32 176.577 176.577 175.388 1.189 18098 1292 1 3 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.610 -1.419 18098 1293 1 3 . 1 1 32 32 LYS CB C 32 31.070 31.070 33.467 -2.397 18098 1294 1 3 . 1 1 32 32 LYS H H 32 7.245 7.245 7.195 0.050 18098 1295 1 3 . 1 1 33 33 ARG N N 33 119.630 119.630 123.765 -4.135 18098 1296 1 3 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.536 -0.060 18098 1297 1 3 . 1 1 33 33 ARG C C 33 177.289 177.289 176.383 0.906 18098 1298 1 3 . 1 1 33 33 ARG CA C 33 52.389 52.389 53.592 -1.203 18098 1299 1 3 . 1 1 33 33 ARG CB C 33 27.343 27.343 33.020 -5.677 18098 1300 1 3 . 1 1 33 33 ARG H H 33 8.831 8.831 8.181 0.650 18098 1301 1 3 . 1 1 34 34 GLY N N 34 107.776 107.776 108.552 -0.776 18098 1302 1 3 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.940 -0.027 18098 1303 1 3 . 1 1 34 34 GLY H H 34 8.652 8.652 8.529 0.123 18098 1304 1 3 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.204 0.142 18098 1305 1 3 . 1 1 35 35 ILE C C 35 175.624 175.624 176.084 -0.460 18098 1306 1 3 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.651 -1.647 18098 1307 1 3 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.693 -0.810 18098 1308 1 3 . 1 1 35 35 ILE H H 35 6.841 6.841 7.124 -0.283 18098 1309 1 3 . 1 1 36 36 LEU N N 36 128.200 128.200 124.659 3.541 18098 1310 1 3 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.120 -0.180 18098 1311 1 3 . 1 1 36 36 LEU C C 36 177.994 177.994 178.932 -0.938 18098 1312 1 3 . 1 1 36 36 LEU CA C 36 58.018 58.018 56.964 1.054 18098 1313 1 3 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.378 1.505 18098 1314 1 3 . 1 1 36 36 LEU H H 36 8.518 8.518 8.596 -0.078 18098 1315 1 3 . 1 1 37 37 GLU N N 37 118.515 118.515 119.705 -1.190 18098 1316 1 3 . 1 1 37 37 GLU HA H 37 3.540 3.540 4.030 -0.490 18098 1317 1 3 . 1 1 37 37 GLU C C 37 179.332 179.332 178.630 0.702 18098 1318 1 3 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.379 2.128 18098 1319 1 3 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.834 -1.099 18098 1320 1 3 . 1 1 37 37 GLU H H 37 9.964 9.964 8.500 1.464 18098 1321 1 3 . 1 1 38 38 THR N N 38 111.283 111.283 115.100 -3.817 18098 1322 1 3 . 1 1 38 38 THR HA H 38 3.867 3.867 3.998 -0.131 18098 1323 1 3 . 1 1 38 38 THR C C 38 175.061 175.061 175.821 -0.760 18098 1324 1 3 . 1 1 38 38 THR CA C 38 65.735 65.735 66.083 -0.348 18098 1325 1 3 . 1 1 38 38 THR CB C 38 67.623 67.623 68.153 -0.530 18098 1326 1 3 . 1 1 38 38 THR H H 38 6.425 6.425 7.699 -1.274 18098 1327 1 3 . 1 1 39 39 ASP N N 39 124.325 124.325 123.294 1.031 18098 1328 1 3 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.312 0.201 18098 1329 1 3 . 1 1 39 39 ASP C C 39 179.225 179.225 178.427 0.798 18098 1330 1 3 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.654 -0.555 18098 1331 1 3 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.991 0.892 18098 1332 1 3 . 1 1 39 39 ASP H H 39 7.997 7.997 7.690 0.307 18098 1333 1 3 . 1 1 40 40 LEU N N 40 118.757 118.757 119.406 -0.649 18098 1334 1 3 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.123 -0.112 18098 1335 1 3 . 1 1 40 40 LEU C C 40 180.528 180.528 179.379 1.149 18098 1336 1 3 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.123 0.969 18098 1337 1 3 . 1 1 40 40 LEU CB C 40 41.798 41.798 42.004 -0.206 18098 1338 1 3 . 1 1 40 40 LEU H H 40 8.623 8.623 7.650 0.973 18098 1339 1 3 . 1 1 41 41 LEU N N 41 119.923 119.923 121.368 -1.445 18098 1340 1 3 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.201 0.192 18098 1341 1 3 . 1 1 41 41 LEU C C 41 177.631 177.631 178.602 -0.971 18098 1342 1 3 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.397 -0.040 18098 1343 1 3 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.854 1.485 18098 1344 1 3 . 1 1 41 41 LEU H H 41 7.382 7.382 7.604 -0.222 18098 1345 1 3 . 1 1 42 42 LEU N N 42 115.623 115.623 117.117 -1.494 18098 1346 1 3 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.114 0.159 18098 1347 1 3 . 1 1 42 42 LEU C C 42 179.489 179.489 179.285 0.204 18098 1348 1 3 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.610 -0.041 18098 1349 1 3 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.281 -0.797 18098 1350 1 3 . 1 1 42 42 LEU H H 42 8.963 8.963 8.275 0.688 18098 1351 1 3 . 1 1 43 43 SER N N 43 115.349 115.349 116.294 -0.945 18098 1352 1 3 . 1 1 43 43 SER HA H 43 4.039 4.039 4.206 -0.167 18098 1353 1 3 . 1 1 43 43 SER C C 43 178.200 178.200 176.967 1.233 18098 1354 1 3 . 1 1 43 43 SER CA C 43 62.665 62.665 61.955 0.710 18098 1355 1 3 . 1 1 43 43 SER CB C 43 62.476 62.476 62.871 -0.395 18098 1356 1 3 . 1 1 43 43 SER H H 43 8.535 8.535 8.195 0.340 18098 1357 1 3 . 1 1 44 44 GLY N N 44 110.034 110.034 108.955 1.079 18098 1358 1 3 . 1 1 44 44 GLY C C 44 175.624 175.624 175.782 -0.158 18098 1359 1 3 . 1 1 44 44 GLY CA C 44 47.144 47.144 47.059 0.086 18098 1360 1 3 . 1 1 44 44 GLY H H 44 7.812 7.812 8.099 -0.287 18098 1361 1 3 . 1 1 45 45 PHE N N 45 125.487 125.487 122.564 2.923 18098 1362 1 3 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.074 -0.136 18098 1363 1 3 . 1 1 45 45 PHE C C 45 177.482 177.482 176.268 1.214 18098 1364 1 3 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.394 0.851 18098 1365 1 3 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.611 1.308 18098 1366 1 3 . 1 1 45 45 PHE H H 45 8.542 8.542 7.952 0.590 18098 1367 1 3 . 1 1 46 46 ALA N N 46 121.034 121.034 120.933 0.101 18098 1368 1 3 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.624 0.108 18098 1369 1 3 . 1 1 46 46 ALA C C 46 179.916 179.916 178.578 1.338 18098 1370 1 3 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.529 0.179 18098 1371 1 3 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.173 -0.076 18098 1372 1 3 . 1 1 46 46 ALA H H 46 9.262 9.262 7.978 1.284 18098 1373 1 3 . 1 1 47 47 ALA N N 47 117.642 117.642 119.908 -2.266 18098 1374 1 3 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.026 -0.055 18098 1375 1 3 . 1 1 47 47 ALA C C 47 178.250 178.250 178.541 -0.291 18098 1376 1 3 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.741 -0.358 18098 1377 1 3 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.459 -0.258 18098 1378 1 3 . 1 1 47 47 ALA H H 47 7.481 7.481 7.765 -0.284 18098 1379 1 3 . 1 1 48 48 LYS N N 48 115.388 115.388 116.921 -1.533 18098 1380 1 3 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.059 0.041 18098 1381 1 3 . 1 1 48 48 LYS C C 48 177.845 177.845 178.660 -0.815 18098 1382 1 3 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.707 -0.947 18098 1383 1 3 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.147 0.639 18098 1384 1 3 . 1 1 48 48 LYS H H 48 7.056 7.056 7.455 -0.399 18098 1385 1 3 . 1 1 49 49 TYR N N 49 112.714 112.714 118.026 -5.312 18098 1386 1 3 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.006 0.290 18098 1387 1 3 . 1 1 49 49 TYR C C 49 178.272 178.272 178.459 -0.187 18098 1388 1 3 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.624 -1.502 18098 1389 1 3 . 1 1 49 49 TYR CB C 49 40.260 40.260 37.724 2.536 18098 1390 1 3 . 1 1 49 49 TYR H H 49 7.941 7.941 8.049 -0.108 18098 1391 1 3 . 1 1 50 50 LEU N N 50 120.890 120.890 117.904 2.986 18098 1392 1 3 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.871 0.104 18098 1393 1 3 . 1 1 50 50 LEU C C 50 180.108 180.108 178.084 2.024 18098 1394 1 3 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.359 2.350 18098 1395 1 3 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.270 -0.433 18098 1396 1 3 . 1 1 50 50 LEU H H 50 7.945 7.945 7.544 0.401 18098 1397 1 3 . 1 1 51 51 LYS N N 51 115.335 115.335 116.877 -1.542 18098 1398 1 3 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.024 -0.166 18098 1399 1 3 . 1 1 51 51 LYS C C 51 176.051 176.051 177.333 -1.282 18098 1400 1 3 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.380 0.425 18098 1401 1 3 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.571 -1.064 18098 1402 1 3 . 1 1 51 51 LYS H H 51 8.463 8.463 7.985 0.478 18098 1403 1 3 . 1 1 52 52 LYS N N 52 115.175 115.175 115.190 -0.015 18098 1404 1 3 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.367 0.043 18098 1405 1 3 . 1 1 52 52 LYS C C 52 176.777 176.777 176.323 0.454 18098 1406 1 3 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.636 -0.551 18098 1407 1 3 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.583 -0.467 18098 1408 1 3 . 1 1 52 52 LYS H H 52 7.232 7.232 7.627 -0.395 18098 1409 1 3 . 1 1 53 53 MET N N 53 120.127 120.127 120.184 -0.057 18098 1410 1 3 . 1 1 53 53 MET HA H 53 4.485 4.485 4.221 0.264 18098 1411 1 3 . 1 1 53 53 MET C C 53 176.179 176.179 175.472 0.707 18098 1412 1 3 . 1 1 53 53 MET CA C 53 57.091 57.091 56.115 0.976 18098 1413 1 3 . 1 1 53 53 MET CB C 53 34.125 34.125 33.653 0.472 18098 1414 1 3 . 1 1 53 53 MET H H 53 7.175 7.175 7.679 -0.504 18098 1415 1 3 . 1 1 54 54 ASN N N 54 120.819 120.819 122.982 -2.163 18098 1416 1 3 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.873 -0.108 18098 1417 1 3 . 1 1 54 54 ASN C C 54 175.154 175.154 176.128 -0.974 18098 1418 1 3 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.559 -1.618 18098 1419 1 3 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.502 -0.966 18098 1420 1 3 . 1 1 54 54 ASN H H 54 9.045 9.045 8.568 0.477 18098 1421 1 3 . 1 1 55 55 GLU N N 55 116.971 116.971 122.761 -5.790 18098 1422 1 3 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.906 -0.082 18098 1423 1 3 . 1 1 55 55 GLU C C 55 178.122 178.122 178.222 -0.100 18098 1424 1 3 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.280 0.972 18098 1425 1 3 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.582 0.087 18098 1426 1 3 . 1 1 55 55 GLU H H 55 8.891 8.891 8.925 -0.034 18098 1427 1 3 . 1 1 56 56 GLU N N 56 119.652 119.652 117.022 2.630 18098 1428 1 3 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.266 -0.129 18098 1429 1 3 . 1 1 56 56 GLU C C 56 179.937 179.937 178.908 1.029 18098 1430 1 3 . 1 1 56 56 GLU CA C 56 59.816 59.816 58.944 0.872 18098 1431 1 3 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.045 0.037 18098 1432 1 3 . 1 1 56 56 GLU H H 56 8.366 8.366 8.841 -0.475 18098 1433 1 3 . 1 1 57 57 GLU N N 57 122.119 122.119 119.845 2.274 18098 1434 1 3 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.273 -0.008 18098 1435 1 3 . 1 1 57 57 GLU C C 57 179.332 179.332 178.964 0.368 18098 1436 1 3 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.239 0.920 18098 1437 1 3 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.790 -0.490 18098 1438 1 3 . 1 1 57 57 GLU H H 57 8.491 8.491 7.589 0.902 18098 1439 1 3 . 1 1 58 58 LEU N N 58 119.424 119.424 119.431 -0.007 18098 1440 1 3 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.150 -0.014 18098 1441 1 3 . 1 1 58 58 LEU C C 58 179.218 179.218 179.326 -0.108 18098 1442 1 3 . 1 1 58 58 LEU CA C 58 57.685 57.685 57.877 -0.192 18098 1443 1 3 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.776 0.074 18098 1444 1 3 . 1 1 58 58 LEU H H 58 8.693 8.693 7.929 0.764 18098 1445 1 3 . 1 1 59 59 GLU N N 59 118.813 118.813 117.656 1.157 18098 1446 1 3 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.072 0.228 18098 1447 1 3 . 1 1 59 59 GLU C C 59 179.361 179.361 178.773 0.588 18098 1448 1 3 . 1 1 59 59 GLU CA C 59 59.039 59.039 58.985 0.054 18098 1449 1 3 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.869 0.236 18098 1450 1 3 . 1 1 59 59 GLU H H 59 8.009 8.009 7.975 0.034 18098 1451 1 3 . 1 1 60 60 GLU N N 60 121.472 121.472 121.216 0.256 18098 1452 1 3 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.163 0.093 18098 1453 1 3 . 1 1 60 60 GLU C C 60 178.451 178.451 178.564 -0.113 18098 1454 1 3 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.611 1.038 18098 1455 1 3 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.918 -0.154 18098 1456 1 3 . 1 1 60 60 GLU H H 60 7.867 7.867 8.003 -0.136 18098 1457 1 3 . 1 1 61 61 TYR N N 61 121.955 121.955 120.646 1.309 18098 1458 1 3 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.310 -0.176 18098 1459 1 3 . 1 1 61 61 TYR C C 61 176.278 176.278 177.381 -1.103 18098 1460 1 3 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.049 1.122 18098 1461 1 3 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.681 -0.492 18098 1462 1 3 . 1 1 61 61 TYR H H 61 8.675 8.675 8.350 0.325 18098 1463 1 3 . 1 1 62 62 ASP N N 62 118.314 118.314 118.698 -0.384 18098 1464 1 3 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.230 0.033 18098 1465 1 3 . 1 1 62 62 ASP C C 62 178.464 178.464 178.568 -0.104 18098 1466 1 3 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.775 -1.030 18098 1467 1 3 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.678 0.867 18098 1468 1 3 . 1 1 62 62 ASP H H 62 8.481 8.481 8.173 0.308 18098 1469 1 3 . 1 1 63 63 SER N N 63 111.380 111.380 115.448 -4.068 18098 1470 1 3 . 1 1 63 63 SER HA H 63 4.361 4.361 4.252 0.109 18098 1471 1 3 . 1 1 63 63 SER C C 63 178.763 178.763 176.309 2.454 18098 1472 1 3 . 1 1 63 63 SER CA C 63 61.824 61.824 61.189 0.635 18098 1473 1 3 . 1 1 63 63 SER CB C 63 62.830 62.830 63.044 -0.214 18098 1474 1 3 . 1 1 63 63 SER H H 63 7.779 7.779 7.724 0.055 18098 1475 1 3 . 1 1 64 64 LEU N N 64 127.444 127.444 121.377 6.067 18098 1476 1 3 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.310 -0.254 18098 1477 1 3 . 1 1 64 64 LEU C C 64 177.688 177.688 178.644 -0.956 18098 1478 1 3 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.352 0.698 18098 1479 1 3 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.041 -1.866 18098 1480 1 3 . 1 1 64 64 LEU H H 64 8.616 8.616 7.475 1.141 18098 1481 1 3 . 1 1 65 65 LEU N N 65 114.503 114.503 118.333 -3.830 18098 1482 1 3 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.899 -0.131 18098 1483 1 3 . 1 1 65 65 LEU C C 65 178.506 178.506 178.090 0.416 18098 1484 1 3 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.012 -0.647 18098 1485 1 3 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.818 -0.355 18098 1486 1 3 . 1 1 65 65 LEU H H 65 7.700 7.700 7.527 0.173 18098 1487 1 3 . 1 1 66 66 ASN N N 66 116.208 116.208 115.156 1.052 18098 1488 1 3 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.744 -0.005 18098 1489 1 3 . 1 1 66 66 ASN C C 66 176.008 176.008 175.351 0.657 18098 1490 1 3 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.882 0.004 18098 1491 1 3 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.850 0.409 18098 1492 1 3 . 1 1 66 66 ASN H H 66 7.533 7.533 7.707 -0.174 18098 1493 1 3 . 1 1 67 67 GLU N N 67 120.300 120.300 120.662 -0.362 18098 1494 1 3 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.522 -0.033 18098 1495 1 3 . 1 1 67 67 GLU C C 67 175.410 175.410 175.841 -0.431 18098 1496 1 3 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.384 -0.418 18098 1497 1 3 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.831 -2.411 18098 1498 1 3 . 1 1 67 67 GLU H H 67 7.948 7.948 7.585 0.363 18098 1499 1 3 . 1 1 68 68 LEU N N 68 120.037 120.037 121.997 -1.960 18098 1500 1 3 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.271 -0.141 18098 1501 1 3 . 1 1 68 68 LEU C C 68 178.720 178.720 177.773 0.947 18098 1502 1 3 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.578 0.128 18098 1503 1 3 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.303 -0.795 18098 1504 1 3 . 1 1 68 68 LEU H H 68 9.451 9.451 8.419 1.032 18098 1505 1 3 . 1 1 69 69 ASP N N 69 120.774 120.774 125.022 -4.248 18098 1506 1 3 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.113 0.064 18098 1507 1 3 . 1 1 69 69 ASP C C 69 179.446 179.446 178.196 1.250 18098 1508 1 3 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.009 0.628 18098 1509 1 3 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.319 0.535 18098 1510 1 3 . 1 1 69 69 ASP H H 69 8.445 8.445 8.766 -0.321 18098 1511 1 3 . 1 1 70 70 TRP N N 70 117.865 117.865 119.356 -1.491 18098 1512 1 3 . 1 1 70 70 TRP HA H 70 4.118 4.118 3.916 0.202 18098 1513 1 3 . 1 1 70 70 TRP C C 70 176.983 176.983 178.100 -1.117 18098 1514 1 3 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.134 -0.031 18098 1515 1 3 . 1 1 70 70 TRP CB C 70 28.391 28.391 28.922 -0.531 18098 1516 1 3 . 1 1 70 70 TRP H H 70 8.809 8.809 7.878 0.931 18098 1517 1 3 . 1 1 71 71 ASP N N 71 116.993 116.993 118.124 -1.131 18098 1518 1 3 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.005 -0.143 18098 1519 1 3 . 1 1 71 71 ASP C C 71 175.218 175.218 177.763 -2.545 18098 1520 1 3 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.935 -0.482 18098 1521 1 3 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.705 -0.982 18098 1522 1 3 . 1 1 71 71 ASP H H 71 6.134 6.134 7.529 -1.395 18098 1523 1 3 . 1 1 72 72 ILE N N 72 115.361 115.361 119.862 -4.501 18098 1524 1 3 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.262 -0.390 18098 1525 1 3 . 1 1 72 72 ILE C C 72 177.097 177.097 177.466 -0.369 18098 1526 1 3 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.955 1.164 18098 1527 1 3 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.626 0.653 18098 1528 1 3 . 1 1 72 72 ILE H H 72 7.302 7.302 7.468 -0.166 18098 1529 1 3 . 1 1 73 73 TYR N N 73 116.121 116.121 120.335 -4.214 18098 1530 1 3 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.849 -0.108 18098 1531 1 3 . 1 1 73 73 TYR C C 73 178.827 178.827 177.015 1.812 18098 1532 1 3 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.296 -0.146 18098 1533 1 3 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.367 -0.195 18098 1534 1 3 . 1 1 73 73 TYR H H 73 7.327 7.327 7.526 -0.199 18098 1535 1 3 . 1 1 74 74 TYR N N 74 121.029 121.029 118.367 2.662 18098 1536 1 3 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.173 0.103 18098 1537 1 3 . 1 1 74 74 TYR C C 74 178.165 178.165 178.209 -0.044 18098 1538 1 3 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.223 0.054 18098 1539 1 3 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.642 -1.859 18098 1540 1 3 . 1 1 74 74 TYR H H 74 8.922 8.922 7.816 1.106 18098 1541 1 3 . 1 1 75 75 TRP N N 75 121.118 121.118 118.290 2.828 18098 1542 1 3 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.067 0.688 18098 1543 1 3 . 1 1 75 75 TRP C C 75 180.599 180.599 178.735 1.864 18098 1544 1 3 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.377 -1.607 18098 1545 1 3 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.813 0.598 18098 1546 1 3 . 1 1 75 75 TRP H H 75 9.201 9.201 7.796 1.405 18098 1547 1 3 . 1 1 76 76 ALA N N 76 122.129 122.129 121.017 1.112 18098 1548 1 3 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.093 -0.137 18098 1549 1 3 . 1 1 76 76 ALA C C 76 177.546 177.546 179.171 -1.625 18098 1550 1 3 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.529 0.671 18098 1551 1 3 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.545 0.680 18098 1552 1 3 . 1 1 76 76 ALA H H 76 8.761 8.761 7.390 1.371 18098 1553 1 3 . 1 1 77 77 THR N N 77 102.584 102.584 108.536 -5.952 18098 1554 1 3 . 1 1 77 77 THR HA H 77 4.192 4.192 4.085 0.107 18098 1555 1 3 . 1 1 77 77 THR C C 77 173.425 173.425 174.846 -1.421 18098 1556 1 3 . 1 1 77 77 THR CA C 77 60.767 60.767 62.383 -1.616 18098 1557 1 3 . 1 1 77 77 THR CB C 77 69.573 69.573 68.725 0.848 18098 1558 1 3 . 1 1 77 77 THR H H 77 7.411 7.411 7.714 -0.303 18098 1559 1 3 . 1 1 78 78 LYS N N 78 116.069 116.069 113.890 2.179 18098 1560 1 3 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.447 -0.617 18098 1561 1 3 . 1 1 78 78 LYS C C 78 174.514 174.514 175.303 -0.789 18098 1562 1 3 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.336 -0.094 18098 1563 1 3 . 1 1 78 78 LYS CB C 78 28.333 28.333 29.311 -0.978 18098 1564 1 3 . 1 1 78 78 LYS H H 78 7.420 7.420 7.701 -0.281 18098 1565 1 3 . 1 1 79 79 ASN N N 79 120.318 120.318 118.982 1.336 18098 1566 1 3 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.787 0.010 18098 1567 1 3 . 1 1 79 79 ASN C C 79 175.581 175.581 175.049 0.532 18098 1568 1 3 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.959 -1.365 18098 1569 1 3 . 1 1 79 79 ASN CB C 79 36.999 36.999 36.830 0.169 18098 1570 1 3 . 1 1 79 79 ASN H H 79 8.828 8.828 7.876 0.952 18098 1571 1 3 . 1 1 80 80 PHE N N 80 120.545 120.545 119.099 1.446 18098 1572 1 3 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.712 0.157 18098 1573 1 3 . 1 1 80 80 PHE C C 80 177.311 177.311 177.056 0.255 18098 1574 1 3 . 1 1 80 80 PHE CA C 80 56.745 56.745 58.489 -1.744 18098 1575 1 3 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.517 -0.306 18098 1576 1 3 . 1 1 80 80 PHE H H 80 7.581 7.581 7.455 0.126 18098 1577 1 3 . 1 1 81 81 LYS N N 81 118.568 118.568 117.787 0.781 18098 1578 1 3 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.039 0.022 18098 1579 1 3 . 1 1 81 81 LYS C C 81 177.845 177.845 177.343 0.502 18098 1580 1 3 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.575 -0.067 18098 1581 1 3 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.824 0.267 18098 1582 1 3 . 1 1 81 81 LYS H H 81 7.999 7.999 8.134 -0.135 18098 1583 1 3 . 1 1 82 82 THR N N 82 111.828 111.828 111.324 0.504 18098 1584 1 3 . 1 1 82 82 THR HA H 82 4.098 4.098 4.292 -0.194 18098 1585 1 3 . 1 1 82 82 THR C C 82 174.556 174.556 174.543 0.013 18098 1586 1 3 . 1 1 82 82 THR CA C 82 63.796 63.796 61.936 1.860 18098 1587 1 3 . 1 1 82 82 THR CB C 82 68.509 68.509 69.723 -1.214 18098 1588 1 3 . 1 1 82 82 THR H H 82 7.419 7.419 7.494 -0.075 18098 1589 1 3 . 1 1 83 83 SER N N 83 115.546 115.546 119.859 -4.313 18098 1590 1 3 . 1 1 83 83 SER HA H 83 5.000 5.000 5.085 -0.085 18098 1591 1 3 . 1 1 83 83 SER C C 83 170.371 170.371 172.572 -2.201 18098 1592 1 3 . 1 1 83 83 SER CA C 83 54.673 54.673 56.396 -1.723 18098 1593 1 3 . 1 1 83 83 SER CB C 83 63.763 63.763 64.404 -0.641 18098 1594 1 3 . 1 1 83 83 SER H H 83 7.312 7.312 7.837 -0.525 18098 1595 1 3 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.758 -0.203 18098 1596 1 3 . 1 1 84 84 PRO C C 84 176.855 176.855 176.347 0.508 18098 1597 1 3 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.649 -0.109 18098 1598 1 3 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.605 -0.521 18098 1599 1 3 . 1 1 85 85 LEU N N 85 125.147 125.147 122.024 3.123 18098 1600 1 3 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.380 -0.567 18098 1601 1 3 . 1 1 85 85 LEU C C 85 175.168 175.168 175.326 -0.158 18098 1602 1 3 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.594 -0.257 18098 1603 1 3 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.363 0.997 18098 1604 1 3 . 1 1 85 85 LEU H H 85 8.171 8.171 8.404 -0.233 18098 1605 1 3 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.676 -0.168 18098 1606 1 3 . 1 1 86 86 PRO C C 86 177.111 177.111 176.859 0.252 18098 1607 1 3 . 1 1 86 86 PRO CA C 86 62.261 62.261 61.965 0.296 18098 1608 1 3 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.828 -0.053 18098 1609 1 3 . 1 1 87 87 ASP N N 87 123.224 123.224 120.420 2.804 18098 1610 1 3 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.244 -0.089 18098 1611 1 3 . 1 1 87 87 ASP C C 87 178.392 178.392 177.803 0.589 18098 1612 1 3 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.552 -0.053 18098 1613 1 3 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.675 -0.555 18098 1614 1 3 . 1 1 87 87 ASP H H 87 8.649 8.649 8.580 0.069 18098 1615 1 3 . 1 1 88 88 LYS N N 88 115.960 115.960 117.988 -2.028 18098 1616 1 3 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.897 -0.066 18098 1617 1 3 . 1 1 88 88 LYS C C 88 176.585 176.585 176.820 -0.235 18098 1618 1 3 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.209 0.050 18098 1619 1 3 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.248 0.485 18098 1620 1 3 . 1 1 88 88 LYS H H 88 8.344 8.344 8.320 0.024 18098 1621 1 3 . 1 1 89 89 TRP N N 89 116.821 116.821 118.735 -1.914 18098 1622 1 3 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.723 0.091 18098 1623 1 3 . 1 1 89 89 TRP C C 89 176.329 176.329 178.385 -2.056 18098 1624 1 3 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.933 -0.786 18098 1625 1 3 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.096 1.406 18098 1626 1 3 . 1 1 89 89 TRP H H 89 7.145 7.145 7.275 -0.130 18098 1627 1 3 . 1 1 90 90 ALA N N 90 122.680 122.680 123.900 -1.220 18098 1628 1 3 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.962 -0.096 18098 1629 1 3 . 1 1 90 90 ALA C C 90 177.965 177.965 178.464 -0.499 18098 1630 1 3 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.947 -0.236 18098 1631 1 3 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.251 0.128 18098 1632 1 3 . 1 1 90 90 ALA H H 90 7.456 7.456 7.730 -0.274 18098 1633 1 3 . 1 1 91 91 ASN N N 91 114.054 114.054 112.827 1.227 18098 1634 1 3 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.830 -0.015 18098 1635 1 3 . 1 1 91 91 ASN C C 91 174.727 174.727 175.080 -0.353 18098 1636 1 3 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.687 -0.298 18098 1637 1 3 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.130 -0.423 18098 1638 1 3 . 1 1 91 91 ASN H H 91 8.318 8.318 7.953 0.365 18098 1639 1 3 . 1 1 92 92 SER N N 92 113.359 113.359 116.778 -3.419 18098 1640 1 3 . 1 1 92 92 SER HA H 92 4.649 4.649 4.678 -0.029 18098 1641 1 3 . 1 1 92 92 SER C C 92 177.033 177.033 174.788 2.245 18098 1642 1 3 . 1 1 92 92 SER CA C 92 57.599 57.599 58.550 -0.951 18098 1643 1 3 . 1 1 92 92 SER CB C 92 64.454 64.454 64.258 0.196 18098 1644 1 3 . 1 1 92 92 SER H H 92 7.255 7.255 7.580 -0.325 18098 1645 1 3 . 1 1 93 93 LYS N N 93 133.672 133.672 127.205 6.467 18098 1646 1 3 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.213 -0.083 18098 1647 1 3 . 1 1 93 93 LYS C C 93 178.763 178.763 178.515 0.248 18098 1648 1 3 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.136 -0.007 18098 1649 1 3 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.633 -0.550 18098 1650 1 3 . 1 1 93 93 LYS H H 93 9.608 9.608 8.581 1.027 18098 1651 1 3 . 1 1 94 94 LEU N N 94 122.086 122.086 121.016 1.070 18098 1652 1 3 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.161 0.190 18098 1653 1 3 . 1 1 94 94 LEU C C 94 178.663 178.663 178.296 0.367 18098 1654 1 3 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.301 -1.065 18098 1655 1 3 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.879 -0.718 18098 1656 1 3 . 1 1 94 94 LEU H H 94 8.000 8.000 8.288 -0.288 18098 1657 1 3 . 1 1 95 95 LEU N N 95 118.720 118.720 118.156 0.564 18098 1658 1 3 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.872 0.053 18098 1659 1 3 . 1 1 95 95 LEU C C 95 178.530 178.530 178.323 0.207 18098 1660 1 3 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.367 -0.986 18098 1661 1 3 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.587 -0.663 18098 1662 1 3 . 1 1 95 95 LEU H H 95 7.997 7.997 8.392 -0.395 18098 1663 1 3 . 1 1 96 96 LYS N N 96 117.880 117.880 117.836 0.044 18098 1664 1 3 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.295 -0.039 18098 1665 1 3 . 1 1 96 96 LYS C C 96 179.147 179.147 179.476 -0.329 18098 1666 1 3 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.483 -0.020 18098 1667 1 3 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.099 -0.179 18098 1668 1 3 . 1 1 96 96 LYS H H 96 7.341 7.341 7.647 -0.306 18098 1669 1 3 . 1 1 97 97 GLN N N 97 119.660 119.660 118.229 1.431 18098 1670 1 3 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.258 -0.064 18098 1671 1 3 . 1 1 97 97 GLN C C 97 179.040 179.040 178.592 0.448 18098 1672 1 3 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.711 0.371 18098 1673 1 3 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.640 0.407 18098 1674 1 3 . 1 1 97 97 GLN H H 97 8.007 8.007 7.854 0.153 18098 1675 1 3 . 1 1 98 98 LEU N N 98 122.983 122.983 120.920 2.063 18098 1676 1 3 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.683 0.168 18098 1677 1 3 . 1 1 98 98 LEU C C 98 178.841 178.841 178.482 0.359 18098 1678 1 3 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.043 1.038 18098 1679 1 3 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.269 0.627 18098 1680 1 3 . 1 1 98 98 LEU H H 98 8.425 8.425 8.034 0.391 18098 1681 1 3 . 1 1 99 99 GLN N N 99 119.099 119.099 119.080 0.019 18098 1682 1 3 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.221 0.419 18098 1683 1 3 . 1 1 99 99 GLN C C 99 179.660 179.660 178.810 0.850 18098 1684 1 3 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.051 -1.235 18098 1685 1 3 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.707 -1.290 18098 1686 1 3 . 1 1 99 99 GLN H H 99 8.594 8.594 8.254 0.340 18098 1687 1 3 . 1 1 100 100 GLU N N 100 120.803 120.803 119.287 1.516 18098 1688 1 3 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.178 -0.067 18098 1689 1 3 . 1 1 100 100 GLU C C 100 178.870 178.870 178.741 0.129 18098 1690 1 3 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.708 0.742 18098 1691 1 3 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.461 -0.081 18098 1692 1 3 . 1 1 100 100 GLU H H 100 8.353 8.353 7.942 0.411 18098 1693 1 3 . 1 1 101 101 PHE N N 101 120.752 120.752 120.663 0.089 18098 1694 1 3 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.368 0.105 18098 1695 1 3 . 1 1 101 101 PHE C C 101 177.289 177.289 176.727 0.562 18098 1696 1 3 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.911 0.206 18098 1697 1 3 . 1 1 101 101 PHE CB C 101 39.703 39.703 40.044 -0.341 18098 1698 1 3 . 1 1 101 101 PHE H H 101 8.544 8.544 7.926 0.618 18098 1699 1 3 . 1 1 102 102 SER N N 102 112.889 112.889 113.765 -0.876 18098 1700 1 3 . 1 1 102 102 SER HA H 102 3.821 3.821 3.993 -0.172 18098 1701 1 3 . 1 1 102 102 SER C C 102 176.414 176.414 177.227 -0.813 18098 1702 1 3 . 1 1 102 102 SER CA C 102 61.123 61.123 61.469 -0.346 18098 1703 1 3 . 1 1 102 102 SER CB C 102 63.193 63.193 62.728 0.465 18098 1704 1 3 . 1 1 102 102 SER H H 102 8.314 8.314 8.357 -0.043 18098 1705 1 3 . 1 1 103 103 GLU N N 103 118.066 118.066 119.774 -1.708 18098 1706 1 3 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.199 -0.085 18098 1707 1 3 . 1 1 103 103 GLU C C 103 177.375 177.375 177.087 0.288 18098 1708 1 3 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.259 -0.458 18098 1709 1 3 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.767 0.259 18098 1710 1 3 . 1 1 103 103 GLU H H 103 7.809 7.809 7.648 0.161 18098 1711 1 3 . 1 1 104 104 ASN N N 104 117.241 117.241 114.604 2.637 18098 1712 1 3 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.912 -0.265 18098 1713 1 3 . 1 1 104 104 ASN C C 104 175.752 175.752 176.068 -0.316 18098 1714 1 3 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.001 0.738 18098 1715 1 3 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.679 -1.058 18098 1716 1 3 . 1 1 104 104 ASN H H 104 7.917 7.917 7.622 0.295 18098 1717 1 3 . 1 1 105 105 LYS N N 105 121.903 121.903 121.313 0.590 18098 1718 1 3 . 1 1 105 105 LYS HA H 105 4.068 4.068 4.017 0.051 18098 1719 1 3 . 1 1 105 105 LYS C C 105 177.311 177.311 177.027 0.284 18098 1720 1 3 . 1 1 105 105 LYS CA C 105 57.374 57.374 57.495 -0.121 18098 1721 1 3 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.087 0.950 18098 1722 1 3 . 1 1 105 105 LYS H H 105 8.093 8.093 7.565 0.528 18098 1723 1 3 . 1 1 106 106 GLU N N 106 119.595 119.595 118.298 1.297 18098 1724 1 3 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.287 -0.018 18098 1725 1 3 . 1 1 106 106 GLU C C 106 176.585 176.585 176.443 0.142 18098 1726 1 3 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.141 0.550 18098 1727 1 3 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.422 0.278 18098 1728 1 3 . 1 1 106 106 GLU H H 106 8.200 8.200 7.991 0.209 18098 1729 1 3 . 1 1 107 107 LYS N N 107 120.538 120.538 120.584 -0.046 18098 1730 1 3 . 1 1 107 107 LYS HA H 107 4.267 4.267 3.856 0.411 18098 1731 1 3 . 1 1 107 107 LYS C C 107 176.435 176.435 175.104 1.331 18098 1732 1 3 . 1 1 107 107 LYS CA C 107 56.452 56.452 57.132 -0.680 18098 1733 1 3 . 1 1 107 107 LYS CB C 107 33.110 33.110 30.969 2.141 18098 1734 1 3 . 1 1 107 107 LYS H H 107 7.838 7.838 7.675 0.163 18098 1735 1 3 . 1 1 108 108 GLU N N 108 122.869 122.869 121.829 1.040 18098 1736 1 3 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.637 -0.320 18098 1737 1 3 . 1 1 108 108 GLU C C 108 175.403 175.403 175.834 -0.431 18098 1738 1 3 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.314 1.251 18098 1739 1 3 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.648 -0.591 18098 1740 1 3 . 1 1 108 108 GLU H H 108 8.313 8.313 8.231 0.082 18098 1741 1 4 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.779 -0.137 18098 1742 1 4 . 1 1 10 10 HIS C C 10 174.891 174.891 174.408 0.483 18098 1743 1 4 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.699 0.331 18098 1744 1 4 . 1 1 10 10 HIS CB C 10 30.113 30.113 28.321 1.792 18098 1745 1 4 . 1 1 11 11 MET N N 11 121.211 121.211 124.212 -3.001 18098 1746 1 4 . 1 1 11 11 MET HA H 11 4.417 4.417 4.772 -0.355 18098 1747 1 4 . 1 1 11 11 MET C C 11 175.709 175.709 175.035 0.674 18098 1748 1 4 . 1 1 11 11 MET CA C 11 55.405 55.405 54.533 0.872 18098 1749 1 4 . 1 1 11 11 MET CB C 11 32.776 32.776 31.455 1.321 18098 1750 1 4 . 1 1 11 11 MET H H 11 8.179 8.179 8.026 0.153 18098 1751 1 4 . 1 1 12 12 ILE N N 12 122.511 122.511 125.557 -3.046 18098 1752 1 4 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.344 -0.221 18098 1753 1 4 . 1 1 12 12 ILE C C 12 175.809 175.809 175.566 0.243 18098 1754 1 4 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.809 -0.008 18098 1755 1 4 . 1 1 12 12 ILE CB C 12 38.531 38.531 38.903 -0.372 18098 1756 1 4 . 1 1 12 12 ILE H H 12 8.088 8.088 8.324 -0.236 18098 1757 1 4 . 1 1 13 13 LYS N N 13 126.072 126.072 126.097 -0.025 18098 1758 1 4 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.068 0.260 18098 1759 1 4 . 1 1 13 13 LYS C C 13 176.108 176.108 175.930 0.178 18098 1760 1 4 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.576 -0.523 18098 1761 1 4 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.093 -0.178 18098 1762 1 4 . 1 1 13 13 LYS H H 13 8.381 8.381 8.599 -0.218 18098 1763 1 4 . 1 1 14 14 ARG N N 14 123.714 123.714 122.876 0.838 18098 1764 1 4 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.127 0.317 18098 1765 1 4 . 1 1 14 14 ARG C C 14 176.428 176.428 176.172 0.256 18098 1766 1 4 . 1 1 14 14 ARG CA C 14 55.742 55.742 58.023 -2.281 18098 1767 1 4 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.518 0.263 18098 1768 1 4 . 1 1 14 14 ARG H H 14 8.484 8.484 8.674 -0.190 18098 1769 1 4 . 1 1 15 15 THR N N 15 115.338 115.338 108.878 6.460 18098 1770 1 4 . 1 1 15 15 THR HA H 15 4.367 4.367 4.349 0.018 18098 1771 1 4 . 1 1 15 15 THR C C 15 174.172 174.172 173.734 0.438 18098 1772 1 4 . 1 1 15 15 THR CA C 15 61.501 61.501 62.124 -0.623 18098 1773 1 4 . 1 1 15 15 THR CB C 15 69.868 69.868 69.987 -0.119 18098 1774 1 4 . 1 1 15 15 THR H H 15 8.279 8.279 7.697 0.582 18098 1775 1 4 . 1 1 16 16 ASN N N 16 120.727 120.727 118.249 2.478 18098 1776 1 4 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.735 -0.057 18098 1777 1 4 . 1 1 16 16 ASN C C 16 174.482 174.482 173.836 0.646 18098 1778 1 4 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.493 -0.422 18098 1779 1 4 . 1 1 16 16 ASN CB C 16 38.381 38.381 40.542 -2.161 18098 1780 1 4 . 1 1 16 16 ASN H H 16 8.612 8.612 8.030 0.582 18098 1781 1 4 . 1 1 17 17 GLU N N 17 123.790 123.790 120.075 3.715 18098 1782 1 4 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.796 -0.195 18098 1783 1 4 . 1 1 17 17 GLU C C 17 173.823 173.823 174.311 -0.488 18098 1784 1 4 . 1 1 17 17 GLU CA C 17 53.965 53.965 52.900 1.065 18098 1785 1 4 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.636 1.127 18098 1786 1 4 . 1 1 17 17 GLU H H 17 8.113 8.113 8.422 -0.309 18098 1787 1 4 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.459 0.056 18098 1788 1 4 . 1 1 18 18 PRO C C 18 177.709 177.709 177.564 0.145 18098 1789 1 4 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.148 0.617 18098 1790 1 4 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.767 -0.286 18098 1791 1 4 . 1 1 19 19 LEU N N 19 123.760 123.760 121.284 2.476 18098 1792 1 4 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.089 -0.083 18098 1793 1 4 . 1 1 19 19 LEU C C 19 178.307 178.307 178.046 0.261 18098 1794 1 4 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.430 1.033 18098 1795 1 4 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.162 0.636 18098 1796 1 4 . 1 1 19 19 LEU H H 19 8.720 8.720 8.550 0.170 18098 1797 1 4 . 1 1 20 20 ASP N N 20 115.650 115.650 118.154 -2.504 18098 1798 1 4 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.362 -0.001 18098 1799 1 4 . 1 1 20 20 ASP C C 20 179.531 179.531 178.905 0.626 18098 1800 1 4 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.925 -0.837 18098 1801 1 4 . 1 1 20 20 ASP CB C 20 39.321 39.321 39.994 -0.673 18098 1802 1 4 . 1 1 20 20 ASP H H 20 8.829 8.829 8.856 -0.027 18098 1803 1 4 . 1 1 21 21 LYS N N 21 121.462 121.462 119.691 1.771 18098 1804 1 4 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.101 0.031 18098 1805 1 4 . 1 1 21 21 LYS C C 21 178.421 178.421 178.690 -0.269 18098 1806 1 4 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.969 -0.686 18098 1807 1 4 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.438 -0.458 18098 1808 1 4 . 1 1 21 21 LYS H H 21 7.352 7.352 7.470 -0.118 18098 1809 1 4 . 1 1 22 22 LYS N N 22 123.296 123.296 120.055 3.241 18098 1810 1 4 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.010 -0.020 18098 1811 1 4 . 1 1 22 22 LYS C C 22 178.179 178.179 178.902 -0.723 18098 1812 1 4 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.498 0.356 18098 1813 1 4 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.412 0.375 18098 1814 1 4 . 1 1 22 22 LYS H H 22 8.407 8.407 7.620 0.787 18098 1815 1 4 . 1 1 23 23 ARG N N 23 116.950 116.950 118.823 -1.873 18098 1816 1 4 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.001 -0.267 18098 1817 1 4 . 1 1 23 23 ARG C C 23 177.460 177.460 178.571 -1.111 18098 1818 1 4 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.362 1.143 18098 1819 1 4 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.088 0.179 18098 1820 1 4 . 1 1 23 23 ARG H H 23 8.594 8.594 8.071 0.523 18098 1821 1 4 . 1 1 24 24 ALA N N 24 118.391 118.391 120.976 -2.585 18098 1822 1 4 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.107 -0.063 18098 1823 1 4 . 1 1 24 24 ALA C C 24 180.514 180.514 179.782 0.732 18098 1824 1 4 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.046 0.023 18098 1825 1 4 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.176 -0.242 18098 1826 1 4 . 1 1 24 24 ALA H H 24 7.505 7.505 8.076 -0.571 18098 1827 1 4 . 1 1 25 25 ARG N N 25 120.413 120.413 119.180 1.233 18098 1828 1 4 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.197 0.010 18098 1829 1 4 . 1 1 25 25 ARG C C 25 178.058 178.058 178.835 -0.777 18098 1830 1 4 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.238 0.155 18098 1831 1 4 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.364 -0.753 18098 1832 1 4 . 1 1 25 25 ARG H H 25 8.291 8.291 7.913 0.378 18098 1833 1 4 . 1 1 26 26 LEU N N 26 119.205 119.205 119.922 -0.717 18098 1834 1 4 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.192 -0.047 18098 1835 1 4 . 1 1 26 26 LEU C C 26 180.642 180.642 179.363 1.279 18098 1836 1 4 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.808 -0.033 18098 1837 1 4 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.313 -0.613 18098 1838 1 4 . 1 1 26 26 LEU H H 26 8.305 8.305 7.896 0.409 18098 1839 1 4 . 1 1 27 27 ILE N N 27 123.643 123.643 119.135 4.508 18098 1840 1 4 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.864 -0.263 18098 1841 1 4 . 1 1 27 27 ILE C C 27 177.716 177.716 179.361 -1.645 18098 1842 1 4 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.348 0.804 18098 1843 1 4 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.827 0.014 18098 1844 1 4 . 1 1 27 27 ILE H H 27 8.488 8.488 8.527 -0.039 18098 1845 1 4 . 1 1 28 28 TYR N N 28 121.443 121.443 121.468 -0.025 18098 1846 1 4 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.149 0.066 18098 1847 1 4 . 1 1 28 28 TYR C C 28 178.656 178.656 177.076 1.580 18098 1848 1 4 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.629 -0.186 18098 1849 1 4 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.339 -0.505 18098 1850 1 4 . 1 1 28 28 TYR H H 28 7.832 7.832 8.029 -0.197 18098 1851 1 4 . 1 1 29 29 GLN N N 29 115.999 115.999 117.101 -1.102 18098 1852 1 4 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.855 0.006 18098 1853 1 4 . 1 1 29 29 GLN C C 29 178.537 178.537 177.757 0.780 18098 1854 1 4 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.839 0.358 18098 1855 1 4 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.564 0.724 18098 1856 1 4 . 1 1 29 29 GLN H H 29 8.965 8.965 8.145 0.820 18098 1857 1 4 . 1 1 30 30 SER N N 30 115.599 115.599 115.323 0.276 18098 1858 1 4 . 1 1 30 30 SER HA H 30 4.100 4.100 4.339 -0.239 18098 1859 1 4 . 1 1 30 30 SER C C 30 171.004 171.004 175.725 -4.721 18098 1860 1 4 . 1 1 30 30 SER CA C 30 61.818 61.818 61.168 0.650 18098 1861 1 4 . 1 1 30 30 SER CB C 30 63.196 63.196 63.421 -0.225 18098 1862 1 4 . 1 1 30 30 SER H H 30 7.643 7.643 8.013 -0.370 18098 1863 1 4 . 1 1 31 31 ARG N N 31 114.000 114.000 120.240 -6.240 18098 1864 1 4 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.458 0.168 18098 1865 1 4 . 1 1 31 31 ARG C C 31 176.556 176.556 176.395 0.161 18098 1866 1 4 . 1 1 31 31 ARG CA C 31 55.010 55.010 57.273 -2.263 18098 1867 1 4 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.622 0.037 18098 1868 1 4 . 1 1 31 31 ARG H H 31 6.987 6.987 7.469 -0.482 18098 1869 1 4 . 1 1 32 32 LYS N N 32 120.507 120.507 120.788 -0.281 18098 1870 1 4 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.245 0.260 18098 1871 1 4 . 1 1 32 32 LYS C C 32 176.577 176.577 174.856 1.721 18098 1872 1 4 . 1 1 32 32 LYS CA C 32 54.191 54.191 56.330 -2.139 18098 1873 1 4 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.820 -1.750 18098 1874 1 4 . 1 1 32 32 LYS H H 32 7.245 7.245 7.460 -0.215 18098 1875 1 4 . 1 1 33 33 ARG N N 33 119.630 119.630 121.676 -2.046 18098 1876 1 4 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.336 0.140 18098 1877 1 4 . 1 1 33 33 ARG C C 33 177.289 177.289 175.892 1.397 18098 1878 1 4 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.395 -3.006 18098 1879 1 4 . 1 1 33 33 ARG CB C 33 27.343 27.343 33.028 -5.685 18098 1880 1 4 . 1 1 33 33 ARG H H 33 8.831 8.831 7.970 0.861 18098 1881 1 4 . 1 1 34 34 GLY N N 34 107.776 107.776 109.515 -1.739 18098 1882 1 4 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.686 0.227 18098 1883 1 4 . 1 1 34 34 GLY H H 34 8.652 8.652 8.395 0.257 18098 1884 1 4 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.159 0.187 18098 1885 1 4 . 1 1 35 35 ILE C C 35 175.624 175.624 176.415 -0.791 18098 1886 1 4 . 1 1 35 35 ILE CA C 35 58.004 58.004 60.023 -2.019 18098 1887 1 4 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.357 -0.474 18098 1888 1 4 . 1 1 35 35 ILE H H 35 6.841 6.841 7.322 -0.481 18098 1889 1 4 . 1 1 36 36 LEU N N 36 128.200 128.200 123.660 4.540 18098 1890 1 4 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.073 -0.133 18098 1891 1 4 . 1 1 36 36 LEU C C 36 177.994 177.994 178.885 -0.891 18098 1892 1 4 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.255 0.763 18098 1893 1 4 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.359 1.524 18098 1894 1 4 . 1 1 36 36 LEU H H 36 8.518 8.518 8.562 -0.044 18098 1895 1 4 . 1 1 37 37 GLU N N 37 118.515 118.515 118.190 0.325 18098 1896 1 4 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.946 -0.406 18098 1897 1 4 . 1 1 37 37 GLU C C 37 179.332 179.332 178.770 0.562 18098 1898 1 4 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.827 1.680 18098 1899 1 4 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.445 -0.710 18098 1900 1 4 . 1 1 37 37 GLU H H 37 9.964 9.964 8.269 1.695 18098 1901 1 4 . 1 1 38 38 THR N N 38 111.283 111.283 113.606 -2.323 18098 1902 1 4 . 1 1 38 38 THR HA H 38 3.867 3.867 4.120 -0.253 18098 1903 1 4 . 1 1 38 38 THR C C 38 175.061 175.061 175.952 -0.891 18098 1904 1 4 . 1 1 38 38 THR CA C 38 65.735 65.735 66.635 -0.900 18098 1905 1 4 . 1 1 38 38 THR CB C 38 67.623 67.623 68.223 -0.600 18098 1906 1 4 . 1 1 38 38 THR H H 38 6.425 6.425 7.722 -1.297 18098 1907 1 4 . 1 1 39 39 ASP N N 39 124.325 124.325 123.445 0.880 18098 1908 1 4 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.476 0.037 18098 1909 1 4 . 1 1 39 39 ASP C C 39 179.225 179.225 178.255 0.970 18098 1910 1 4 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.635 -0.537 18098 1911 1 4 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.894 0.989 18098 1912 1 4 . 1 1 39 39 ASP H H 39 7.997 7.997 7.453 0.544 18098 1913 1 4 . 1 1 40 40 LEU N N 40 118.757 118.757 118.674 0.083 18098 1914 1 4 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.137 -0.126 18098 1915 1 4 . 1 1 40 40 LEU C C 40 180.528 180.528 179.308 1.220 18098 1916 1 4 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.320 0.772 18098 1917 1 4 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.682 0.116 18098 1918 1 4 . 1 1 40 40 LEU H H 40 8.623 8.623 7.760 0.863 18098 1919 1 4 . 1 1 41 41 LEU N N 41 119.923 119.923 121.399 -1.476 18098 1920 1 4 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.256 0.137 18098 1921 1 4 . 1 1 41 41 LEU C C 41 177.631 177.631 178.648 -1.017 18098 1922 1 4 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.357 -0.000 18098 1923 1 4 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.904 1.435 18098 1924 1 4 . 1 1 41 41 LEU H H 41 7.382 7.382 7.558 -0.176 18098 1925 1 4 . 1 1 42 42 LEU N N 42 115.623 115.623 117.872 -2.249 18098 1926 1 4 . 1 1 42 42 LEU HA H 42 4.273 4.273 3.972 0.301 18098 1927 1 4 . 1 1 42 42 LEU C C 42 179.489 179.489 179.367 0.122 18098 1928 1 4 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.873 -0.304 18098 1929 1 4 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.584 -1.100 18098 1930 1 4 . 1 1 42 42 LEU H H 42 8.963 8.963 8.304 0.659 18098 1931 1 4 . 1 1 43 43 SER N N 43 115.349 115.349 115.221 0.128 18098 1932 1 4 . 1 1 43 43 SER HA H 43 4.039 4.039 4.372 -0.333 18098 1933 1 4 . 1 1 43 43 SER C C 43 178.200 178.200 177.067 1.133 18098 1934 1 4 . 1 1 43 43 SER CA C 43 62.665 62.665 62.209 0.456 18098 1935 1 4 . 1 1 43 43 SER CB C 43 62.476 62.476 63.156 -0.680 18098 1936 1 4 . 1 1 43 43 SER H H 43 8.535 8.535 8.531 0.004 18098 1937 1 4 . 1 1 44 44 GLY N N 44 110.034 110.034 109.850 0.184 18098 1938 1 4 . 1 1 44 44 GLY C C 44 175.624 175.624 175.553 0.071 18098 1939 1 4 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.925 0.219 18098 1940 1 4 . 1 1 44 44 GLY H H 44 7.812 7.812 8.108 -0.296 18098 1941 1 4 . 1 1 45 45 PHE N N 45 125.487 125.487 122.306 3.181 18098 1942 1 4 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.234 -0.296 18098 1943 1 4 . 1 1 45 45 PHE C C 45 177.482 177.482 176.171 1.311 18098 1944 1 4 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.398 0.847 18098 1945 1 4 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.551 1.368 18098 1946 1 4 . 1 1 45 45 PHE H H 45 8.542 8.542 7.619 0.923 18098 1947 1 4 . 1 1 46 46 ALA N N 46 121.034 121.034 121.383 -0.349 18098 1948 1 4 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.831 -0.099 18098 1949 1 4 . 1 1 46 46 ALA C C 46 179.916 179.916 178.545 1.371 18098 1950 1 4 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.633 0.075 18098 1951 1 4 . 1 1 46 46 ALA CB C 46 18.097 18.097 17.913 0.184 18098 1952 1 4 . 1 1 46 46 ALA H H 46 9.262 9.262 7.904 1.358 18098 1953 1 4 . 1 1 47 47 ALA N N 47 117.642 117.642 119.844 -2.202 18098 1954 1 4 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.079 -0.108 18098 1955 1 4 . 1 1 47 47 ALA C C 47 178.250 178.250 178.378 -0.128 18098 1956 1 4 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.621 -0.238 18098 1957 1 4 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.519 -0.318 18098 1958 1 4 . 1 1 47 47 ALA H H 47 7.481 7.481 7.721 -0.240 18098 1959 1 4 . 1 1 48 48 LYS N N 48 115.388 115.388 116.883 -1.495 18098 1960 1 4 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.119 -0.019 18098 1961 1 4 . 1 1 48 48 LYS C C 48 177.845 177.845 178.532 -0.687 18098 1962 1 4 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.331 -0.571 18098 1963 1 4 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.226 0.560 18098 1964 1 4 . 1 1 48 48 LYS H H 48 7.056 7.056 7.425 -0.369 18098 1965 1 4 . 1 1 49 49 TYR N N 49 112.714 112.714 117.257 -4.543 18098 1966 1 4 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.067 0.229 18098 1967 1 4 . 1 1 49 49 TYR C C 49 178.272 178.272 177.725 0.547 18098 1968 1 4 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.889 -0.766 18098 1969 1 4 . 1 1 49 49 TYR CB C 49 40.260 40.260 37.901 2.359 18098 1970 1 4 . 1 1 49 49 TYR H H 49 7.941 7.941 7.870 0.071 18098 1971 1 4 . 1 1 50 50 LEU N N 50 120.890 120.890 119.758 1.132 18098 1972 1 4 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.781 0.194 18098 1973 1 4 . 1 1 50 50 LEU C C 50 180.108 180.108 178.736 1.372 18098 1974 1 4 . 1 1 50 50 LEU CA C 50 59.709 59.709 58.775 0.934 18098 1975 1 4 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.284 -0.447 18098 1976 1 4 . 1 1 50 50 LEU H H 50 7.945 7.945 7.901 0.044 18098 1977 1 4 . 1 1 51 51 LYS N N 51 115.335 115.335 115.849 -0.514 18098 1978 1 4 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.996 -0.138 18098 1979 1 4 . 1 1 51 51 LYS C C 51 176.051 176.051 177.666 -1.615 18098 1980 1 4 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.213 0.592 18098 1981 1 4 . 1 1 51 51 LYS CB C 51 31.507 31.507 31.982 -0.475 18098 1982 1 4 . 1 1 51 51 LYS H H 51 8.463 8.463 8.305 0.158 18098 1983 1 4 . 1 1 52 52 LYS N N 52 115.175 115.175 116.392 -1.217 18098 1984 1 4 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.310 0.100 18098 1985 1 4 . 1 1 52 52 LYS C C 52 176.777 176.777 177.056 -0.279 18098 1986 1 4 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.104 -1.019 18098 1987 1 4 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.612 -0.496 18098 1988 1 4 . 1 1 52 52 LYS H H 52 7.232 7.232 7.557 -0.325 18098 1989 1 4 . 1 1 53 53 MET N N 53 120.127 120.127 119.774 0.353 18098 1990 1 4 . 1 1 53 53 MET HA H 53 4.485 4.485 4.446 0.039 18098 1991 1 4 . 1 1 53 53 MET C C 53 176.179 176.179 175.620 0.559 18098 1992 1 4 . 1 1 53 53 MET CA C 53 57.091 57.091 56.312 0.779 18098 1993 1 4 . 1 1 53 53 MET CB C 53 34.125 34.125 33.906 0.219 18098 1994 1 4 . 1 1 53 53 MET H H 53 7.175 7.175 7.652 -0.477 18098 1995 1 4 . 1 1 54 54 ASN N N 54 120.819 120.819 121.457 -0.638 18098 1996 1 4 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.903 -0.138 18098 1997 1 4 . 1 1 54 54 ASN C C 54 175.154 175.154 175.827 -0.673 18098 1998 1 4 . 1 1 54 54 ASN CA C 54 50.941 50.941 53.143 -2.202 18098 1999 1 4 . 1 1 54 54 ASN CB C 54 38.535 38.535 40.140 -1.605 18098 2000 1 4 . 1 1 54 54 ASN H H 54 9.045 9.045 8.751 0.294 18098 2001 1 4 . 1 1 55 55 GLU N N 55 116.971 116.971 122.257 -5.286 18098 2002 1 4 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.980 -0.156 18098 2003 1 4 . 1 1 55 55 GLU C C 55 178.122 178.122 178.190 -0.068 18098 2004 1 4 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.556 0.696 18098 2005 1 4 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.491 0.178 18098 2006 1 4 . 1 1 55 55 GLU H H 55 8.891 8.891 8.986 -0.095 18098 2007 1 4 . 1 1 56 56 GLU N N 56 119.652 119.652 116.423 3.229 18098 2008 1 4 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.096 0.041 18098 2009 1 4 . 1 1 56 56 GLU C C 56 179.937 179.937 179.053 0.884 18098 2010 1 4 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.216 0.600 18098 2011 1 4 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.913 0.169 18098 2012 1 4 . 1 1 56 56 GLU H H 56 8.366 8.366 8.865 -0.499 18098 2013 1 4 . 1 1 57 57 GLU N N 57 122.119 122.119 120.387 1.732 18098 2014 1 4 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.205 0.060 18098 2015 1 4 . 1 1 57 57 GLU C C 57 179.332 179.332 179.397 -0.065 18098 2016 1 4 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.626 0.534 18098 2017 1 4 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.591 -0.291 18098 2018 1 4 . 1 1 57 57 GLU H H 57 8.491 8.491 7.705 0.786 18098 2019 1 4 . 1 1 58 58 LEU N N 58 119.424 119.424 119.550 -0.126 18098 2020 1 4 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.092 0.044 18098 2021 1 4 . 1 1 58 58 LEU C C 58 179.218 179.218 179.323 -0.105 18098 2022 1 4 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.071 -0.386 18098 2023 1 4 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.299 0.551 18098 2024 1 4 . 1 1 58 58 LEU H H 58 8.693 8.693 8.344 0.349 18098 2025 1 4 . 1 1 59 59 GLU N N 59 118.813 118.813 118.383 0.430 18098 2026 1 4 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.004 0.296 18098 2027 1 4 . 1 1 59 59 GLU C C 59 179.361 179.361 179.143 0.218 18098 2028 1 4 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.752 -0.713 18098 2029 1 4 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.187 -0.082 18098 2030 1 4 . 1 1 59 59 GLU H H 59 8.009 8.009 8.017 -0.008 18098 2031 1 4 . 1 1 60 60 GLU N N 60 121.472 121.472 120.227 1.245 18098 2032 1 4 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.212 0.044 18098 2033 1 4 . 1 1 60 60 GLU C C 60 178.451 178.451 178.842 -0.391 18098 2034 1 4 . 1 1 60 60 GLU CA C 60 59.649 59.649 59.245 0.404 18098 2035 1 4 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.427 0.337 18098 2036 1 4 . 1 1 60 60 GLU H H 60 7.867 7.867 8.013 -0.146 18098 2037 1 4 . 1 1 61 61 TYR N N 61 121.955 121.955 120.946 1.009 18098 2038 1 4 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.207 -0.073 18098 2039 1 4 . 1 1 61 61 TYR C C 61 176.278 176.278 177.331 -1.053 18098 2040 1 4 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.451 0.720 18098 2041 1 4 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.551 -0.361 18098 2042 1 4 . 1 1 61 61 TYR H H 61 8.675 8.675 8.280 0.395 18098 2043 1 4 . 1 1 62 62 ASP N N 62 118.314 118.314 119.253 -0.939 18098 2044 1 4 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.232 0.031 18098 2045 1 4 . 1 1 62 62 ASP C C 62 178.464 178.464 178.734 -0.270 18098 2046 1 4 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.875 -1.130 18098 2047 1 4 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.556 0.989 18098 2048 1 4 . 1 1 62 62 ASP H H 62 8.481 8.481 8.204 0.277 18098 2049 1 4 . 1 1 63 63 SER N N 63 111.380 111.380 115.748 -4.368 18098 2050 1 4 . 1 1 63 63 SER HA H 63 4.361 4.361 4.234 0.127 18098 2051 1 4 . 1 1 63 63 SER C C 63 178.763 178.763 176.637 2.126 18098 2052 1 4 . 1 1 63 63 SER CA C 63 61.824 61.824 61.279 0.545 18098 2053 1 4 . 1 1 63 63 SER CB C 63 62.830 62.830 63.449 -0.619 18098 2054 1 4 . 1 1 63 63 SER H H 63 7.779 7.779 7.781 -0.002 18098 2055 1 4 . 1 1 64 64 LEU N N 64 127.444 127.444 122.745 4.699 18098 2056 1 4 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.047 0.009 18098 2057 1 4 . 1 1 64 64 LEU C C 64 177.688 177.688 177.975 -0.287 18098 2058 1 4 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.453 0.598 18098 2059 1 4 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.759 -1.584 18098 2060 1 4 . 1 1 64 64 LEU H H 64 8.616 8.616 7.596 1.020 18098 2061 1 4 . 1 1 65 65 LEU N N 65 114.503 114.503 118.742 -4.239 18098 2062 1 4 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.780 -0.012 18098 2063 1 4 . 1 1 65 65 LEU C C 65 178.506 178.506 178.988 -0.482 18098 2064 1 4 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.637 -1.272 18098 2065 1 4 . 1 1 65 65 LEU CB C 65 40.463 40.463 41.122 -0.659 18098 2066 1 4 . 1 1 65 65 LEU H H 65 7.700 7.700 7.970 -0.270 18098 2067 1 4 . 1 1 66 66 ASN N N 66 116.208 116.208 117.576 -1.368 18098 2068 1 4 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.549 0.190 18098 2069 1 4 . 1 1 66 66 ASN C C 66 176.008 176.008 175.275 0.733 18098 2070 1 4 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.562 -0.676 18098 2071 1 4 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.944 0.315 18098 2072 1 4 . 1 1 66 66 ASN H H 66 7.533 7.533 7.850 -0.317 18098 2073 1 4 . 1 1 67 67 GLU N N 67 120.300 120.300 118.826 1.474 18098 2074 1 4 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.325 0.164 18098 2075 1 4 . 1 1 67 67 GLU C C 67 175.410 175.410 175.123 0.287 18098 2076 1 4 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.768 -0.802 18098 2077 1 4 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.640 -2.220 18098 2078 1 4 . 1 1 67 67 GLU H H 67 7.948 7.948 7.329 0.619 18098 2079 1 4 . 1 1 68 68 LEU N N 68 120.037 120.037 123.019 -2.982 18098 2080 1 4 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.363 -0.233 18098 2081 1 4 . 1 1 68 68 LEU C C 68 178.720 178.720 177.864 0.856 18098 2082 1 4 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.687 0.019 18098 2083 1 4 . 1 1 68 68 LEU CB C 68 41.508 41.508 43.580 -2.072 18098 2084 1 4 . 1 1 68 68 LEU H H 68 9.451 9.451 8.609 0.842 18098 2085 1 4 . 1 1 69 69 ASP N N 69 120.774 120.774 126.024 -5.250 18098 2086 1 4 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.088 0.089 18098 2087 1 4 . 1 1 69 69 ASP C C 69 179.446 179.446 177.887 1.559 18098 2088 1 4 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.199 1.438 18098 2089 1 4 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.821 1.033 18098 2090 1 4 . 1 1 69 69 ASP H H 69 8.445 8.445 8.706 -0.261 18098 2091 1 4 . 1 1 70 70 TRP N N 70 117.865 117.865 121.082 -3.217 18098 2092 1 4 . 1 1 70 70 TRP HA H 70 4.118 4.118 3.954 0.164 18098 2093 1 4 . 1 1 70 70 TRP C C 70 176.983 176.983 178.270 -1.287 18098 2094 1 4 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.748 0.355 18098 2095 1 4 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.153 -0.762 18098 2096 1 4 . 1 1 70 70 TRP H H 70 8.809 8.809 7.941 0.868 18098 2097 1 4 . 1 1 71 71 ASP N N 71 116.993 116.993 119.008 -2.015 18098 2098 1 4 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.078 -0.216 18098 2099 1 4 . 1 1 71 71 ASP C C 71 175.218 175.218 177.878 -2.660 18098 2100 1 4 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.087 0.366 18098 2101 1 4 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.963 -1.240 18098 2102 1 4 . 1 1 71 71 ASP H H 71 6.134 6.134 7.563 -1.429 18098 2103 1 4 . 1 1 72 72 ILE N N 72 115.361 115.361 119.858 -4.497 18098 2104 1 4 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.291 -0.419 18098 2105 1 4 . 1 1 72 72 ILE C C 72 177.097 177.097 177.753 -0.656 18098 2106 1 4 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.944 1.175 18098 2107 1 4 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.565 0.714 18098 2108 1 4 . 1 1 72 72 ILE H H 72 7.302 7.302 7.252 0.050 18098 2109 1 4 . 1 1 73 73 TYR N N 73 116.121 116.121 120.232 -4.111 18098 2110 1 4 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.927 -0.186 18098 2111 1 4 . 1 1 73 73 TYR C C 73 178.827 178.827 177.630 1.197 18098 2112 1 4 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.176 -0.026 18098 2113 1 4 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.434 -0.262 18098 2114 1 4 . 1 1 73 73 TYR H H 73 7.327 7.327 7.659 -0.332 18098 2115 1 4 . 1 1 74 74 TYR N N 74 121.029 121.029 118.654 2.375 18098 2116 1 4 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.274 0.002 18098 2117 1 4 . 1 1 74 74 TYR C C 74 178.165 178.165 178.075 0.090 18098 2118 1 4 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.397 -0.120 18098 2119 1 4 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.622 -1.838 18098 2120 1 4 . 1 1 74 74 TYR H H 74 8.922 8.922 7.861 1.061 18098 2121 1 4 . 1 1 75 75 TRP N N 75 121.118 121.118 118.637 2.481 18098 2122 1 4 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.173 0.582 18098 2123 1 4 . 1 1 75 75 TRP C C 75 180.599 180.599 178.539 2.060 18098 2124 1 4 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.910 -1.140 18098 2125 1 4 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.061 0.350 18098 2126 1 4 . 1 1 75 75 TRP H H 75 9.201 9.201 7.878 1.323 18098 2127 1 4 . 1 1 76 76 ALA N N 76 122.129 122.129 118.997 3.132 18098 2128 1 4 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.291 -0.335 18098 2129 1 4 . 1 1 76 76 ALA C C 76 177.546 177.546 177.925 -0.379 18098 2130 1 4 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.826 1.374 18098 2131 1 4 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.958 0.267 18098 2132 1 4 . 1 1 76 76 ALA H H 76 8.761 8.761 7.653 1.108 18098 2133 1 4 . 1 1 77 77 THR N N 77 102.584 102.584 107.483 -4.899 18098 2134 1 4 . 1 1 77 77 THR HA H 77 4.192 4.192 4.306 -0.114 18098 2135 1 4 . 1 1 77 77 THR C C 77 173.425 173.425 174.828 -1.403 18098 2136 1 4 . 1 1 77 77 THR CA C 77 60.767 60.767 61.045 -0.278 18098 2137 1 4 . 1 1 77 77 THR CB C 77 69.573 69.573 69.367 0.206 18098 2138 1 4 . 1 1 77 77 THR H H 77 7.411 7.411 7.358 0.053 18098 2139 1 4 . 1 1 78 78 LYS N N 78 116.069 116.069 116.060 0.009 18098 2140 1 4 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.172 -0.342 18098 2141 1 4 . 1 1 78 78 LYS C C 78 174.514 174.514 175.137 -0.623 18098 2142 1 4 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.617 -0.375 18098 2143 1 4 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.002 -1.669 18098 2144 1 4 . 1 1 78 78 LYS H H 78 7.420 7.420 7.611 -0.191 18098 2145 1 4 . 1 1 79 79 ASN N N 79 120.318 120.318 119.041 1.277 18098 2146 1 4 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.764 0.033 18098 2147 1 4 . 1 1 79 79 ASN C C 79 175.581 175.581 174.938 0.643 18098 2148 1 4 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.174 -1.579 18098 2149 1 4 . 1 1 79 79 ASN CB C 79 36.999 36.999 36.647 0.352 18098 2150 1 4 . 1 1 79 79 ASN H H 79 8.828 8.828 8.089 0.739 18098 2151 1 4 . 1 1 80 80 PHE N N 80 120.545 120.545 119.712 0.833 18098 2152 1 4 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.813 0.056 18098 2153 1 4 . 1 1 80 80 PHE C C 80 177.311 177.311 177.530 -0.219 18098 2154 1 4 . 1 1 80 80 PHE CA C 80 56.745 56.745 59.490 -2.745 18098 2155 1 4 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.628 -0.417 18098 2156 1 4 . 1 1 80 80 PHE H H 80 7.581 7.581 7.557 0.024 18098 2157 1 4 . 1 1 81 81 LYS N N 81 118.568 118.568 118.130 0.438 18098 2158 1 4 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.123 -0.062 18098 2159 1 4 . 1 1 81 81 LYS C C 81 177.845 177.845 177.851 -0.006 18098 2160 1 4 . 1 1 81 81 LYS CA C 81 58.508 58.508 59.054 -0.546 18098 2161 1 4 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.796 0.295 18098 2162 1 4 . 1 1 81 81 LYS H H 81 7.999 7.999 8.199 -0.200 18098 2163 1 4 . 1 1 82 82 THR N N 82 111.828 111.828 113.307 -1.479 18098 2164 1 4 . 1 1 82 82 THR HA H 82 4.098 4.098 4.185 -0.087 18098 2165 1 4 . 1 1 82 82 THR C C 82 174.556 174.556 175.125 -0.569 18098 2166 1 4 . 1 1 82 82 THR CA C 82 63.796 63.796 62.849 0.947 18098 2167 1 4 . 1 1 82 82 THR CB C 82 68.509 68.509 69.519 -1.010 18098 2168 1 4 . 1 1 82 82 THR H H 82 7.419 7.419 7.578 -0.159 18098 2169 1 4 . 1 1 83 83 SER N N 83 115.546 115.546 118.824 -3.278 18098 2170 1 4 . 1 1 83 83 SER HA H 83 5.000 5.000 5.103 -0.103 18098 2171 1 4 . 1 1 83 83 SER C C 83 170.371 170.371 172.609 -2.238 18098 2172 1 4 . 1 1 83 83 SER CA C 83 54.673 54.673 56.139 -1.466 18098 2173 1 4 . 1 1 83 83 SER CB C 83 63.763 63.763 64.745 -0.982 18098 2174 1 4 . 1 1 83 83 SER H H 83 7.312 7.312 7.641 -0.329 18098 2175 1 4 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.824 -0.269 18098 2176 1 4 . 1 1 84 84 PRO C C 84 176.855 176.855 176.757 0.098 18098 2177 1 4 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.702 -0.162 18098 2178 1 4 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.443 -0.360 18098 2179 1 4 . 1 1 85 85 LEU N N 85 125.147 125.147 123.022 2.125 18098 2180 1 4 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.229 -0.416 18098 2181 1 4 . 1 1 85 85 LEU C C 85 175.168 175.168 175.318 -0.150 18098 2182 1 4 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.280 0.057 18098 2183 1 4 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.288 1.072 18098 2184 1 4 . 1 1 85 85 LEU H H 85 8.171 8.171 8.445 -0.274 18098 2185 1 4 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.628 -0.120 18098 2186 1 4 . 1 1 86 86 PRO C C 86 177.111 177.111 177.206 -0.095 18098 2187 1 4 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.176 0.085 18098 2188 1 4 . 1 1 86 86 PRO CB C 86 32.775 32.775 33.241 -0.466 18098 2189 1 4 . 1 1 87 87 ASP N N 87 123.224 123.224 120.351 2.873 18098 2190 1 4 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.208 -0.053 18098 2191 1 4 . 1 1 87 87 ASP C C 87 178.392 178.392 177.053 1.339 18098 2192 1 4 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.376 0.123 18098 2193 1 4 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.530 -0.410 18098 2194 1 4 . 1 1 87 87 ASP H H 87 8.649 8.649 8.616 0.033 18098 2195 1 4 . 1 1 88 88 LYS N N 88 115.960 115.960 116.713 -0.753 18098 2196 1 4 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.802 0.029 18098 2197 1 4 . 1 1 88 88 LYS C C 88 176.585 176.585 176.511 0.074 18098 2198 1 4 . 1 1 88 88 LYS CA C 88 58.259 58.259 57.854 0.405 18098 2199 1 4 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.725 0.009 18098 2200 1 4 . 1 1 88 88 LYS H H 88 8.344 8.344 8.045 0.299 18098 2201 1 4 . 1 1 89 89 TRP N N 89 116.821 116.821 117.450 -0.629 18098 2202 1 4 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.681 0.133 18098 2203 1 4 . 1 1 89 89 TRP C C 89 176.329 176.329 177.474 -1.145 18098 2204 1 4 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.723 -0.576 18098 2205 1 4 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.596 0.906 18098 2206 1 4 . 1 1 89 89 TRP H H 89 7.145 7.145 7.226 -0.081 18098 2207 1 4 . 1 1 90 90 ALA N N 90 122.680 122.680 122.588 0.092 18098 2208 1 4 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.147 -0.281 18098 2209 1 4 . 1 1 90 90 ALA C C 90 177.965 177.965 176.517 1.448 18098 2210 1 4 . 1 1 90 90 ALA CA C 90 54.711 54.711 53.587 1.124 18098 2211 1 4 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.125 0.254 18098 2212 1 4 . 1 1 90 90 ALA H H 90 7.456 7.456 7.508 -0.052 18098 2213 1 4 . 1 1 91 91 ASN N N 91 114.054 114.054 111.844 2.210 18098 2214 1 4 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.724 0.091 18098 2215 1 4 . 1 1 91 91 ASN C C 91 174.727 174.727 174.724 0.003 18098 2216 1 4 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.135 0.254 18098 2217 1 4 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.021 -0.314 18098 2218 1 4 . 1 1 91 91 ASN H H 91 8.318 8.318 8.072 0.246 18098 2219 1 4 . 1 1 92 92 SER N N 92 113.359 113.359 116.301 -2.942 18098 2220 1 4 . 1 1 92 92 SER HA H 92 4.649 4.649 4.587 0.062 18098 2221 1 4 . 1 1 92 92 SER C C 92 177.033 177.033 175.548 1.485 18098 2222 1 4 . 1 1 92 92 SER CA C 92 57.599 57.599 57.273 0.326 18098 2223 1 4 . 1 1 92 92 SER CB C 92 64.454 64.454 64.647 -0.193 18098 2224 1 4 . 1 1 92 92 SER H H 92 7.255 7.255 7.623 -0.368 18098 2225 1 4 . 1 1 93 93 LYS N N 93 133.672 133.672 128.982 4.690 18098 2226 1 4 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.114 0.016 18098 2227 1 4 . 1 1 93 93 LYS C C 93 178.763 178.763 178.185 0.578 18098 2228 1 4 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.178 -0.049 18098 2229 1 4 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.555 -0.472 18098 2230 1 4 . 1 1 93 93 LYS H H 93 9.608 9.608 9.001 0.607 18098 2231 1 4 . 1 1 94 94 LEU N N 94 122.086 122.086 120.998 1.088 18098 2232 1 4 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.141 0.210 18098 2233 1 4 . 1 1 94 94 LEU C C 94 178.663 178.663 178.369 0.294 18098 2234 1 4 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.296 -1.060 18098 2235 1 4 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.906 -0.745 18098 2236 1 4 . 1 1 94 94 LEU H H 94 8.000 8.000 7.898 0.102 18098 2237 1 4 . 1 1 95 95 LEU N N 95 118.720 118.720 118.766 -0.046 18098 2238 1 4 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.854 0.071 18098 2239 1 4 . 1 1 95 95 LEU C C 95 178.530 178.530 178.400 0.130 18098 2240 1 4 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.514 -1.133 18098 2241 1 4 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.666 -0.742 18098 2242 1 4 . 1 1 95 95 LEU H H 95 7.997 7.997 7.746 0.251 18098 2243 1 4 . 1 1 96 96 LYS N N 96 117.880 117.880 117.316 0.564 18098 2244 1 4 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.015 0.241 18098 2245 1 4 . 1 1 96 96 LYS C C 96 179.147 179.147 179.238 -0.091 18098 2246 1 4 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.749 -0.287 18098 2247 1 4 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.023 -0.103 18098 2248 1 4 . 1 1 96 96 LYS H H 96 7.341 7.341 7.612 -0.271 18098 2249 1 4 . 1 1 97 97 GLN N N 97 119.660 119.660 118.630 1.030 18098 2250 1 4 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.264 -0.070 18098 2251 1 4 . 1 1 97 97 GLN C C 97 179.040 179.040 178.594 0.446 18098 2252 1 4 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.538 0.545 18098 2253 1 4 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.486 0.561 18098 2254 1 4 . 1 1 97 97 GLN H H 97 8.007 8.007 8.401 -0.394 18098 2255 1 4 . 1 1 98 98 LEU N N 98 122.983 122.983 121.409 1.574 18098 2256 1 4 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.825 0.026 18098 2257 1 4 . 1 1 98 98 LEU C C 98 178.841 178.841 178.761 0.080 18098 2258 1 4 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.598 0.483 18098 2259 1 4 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.389 0.507 18098 2260 1 4 . 1 1 98 98 LEU H H 98 8.425 8.425 8.064 0.361 18098 2261 1 4 . 1 1 99 99 GLN N N 99 119.099 119.099 118.504 0.595 18098 2262 1 4 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.013 0.627 18098 2263 1 4 . 1 1 99 99 GLN C C 99 179.660 179.660 178.769 0.891 18098 2264 1 4 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.957 -1.141 18098 2265 1 4 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.781 -1.364 18098 2266 1 4 . 1 1 99 99 GLN H H 99 8.594 8.594 7.834 0.760 18098 2267 1 4 . 1 1 100 100 GLU N N 100 120.803 120.803 120.170 0.633 18098 2268 1 4 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.091 0.020 18098 2269 1 4 . 1 1 100 100 GLU C C 100 178.870 178.870 178.986 -0.116 18098 2270 1 4 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.222 0.227 18098 2271 1 4 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.778 -0.398 18098 2272 1 4 . 1 1 100 100 GLU H H 100 8.353 8.353 8.108 0.245 18098 2273 1 4 . 1 1 101 101 PHE N N 101 120.752 120.752 120.491 0.261 18098 2274 1 4 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.397 0.076 18098 2275 1 4 . 1 1 101 101 PHE C C 101 177.289 177.289 177.653 -0.364 18098 2276 1 4 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.724 0.393 18098 2277 1 4 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.597 0.106 18098 2278 1 4 . 1 1 101 101 PHE H H 101 8.544 8.544 8.353 0.191 18098 2279 1 4 . 1 1 102 102 SER N N 102 112.889 112.889 113.363 -0.474 18098 2280 1 4 . 1 1 102 102 SER HA H 102 3.821 3.821 4.053 -0.232 18098 2281 1 4 . 1 1 102 102 SER C C 102 176.414 176.414 175.820 0.594 18098 2282 1 4 . 1 1 102 102 SER CA C 102 61.123 61.123 60.546 0.577 18098 2283 1 4 . 1 1 102 102 SER CB C 102 63.193 63.193 62.783 0.410 18098 2284 1 4 . 1 1 102 102 SER H H 102 8.314 8.314 8.153 0.161 18098 2285 1 4 . 1 1 103 103 GLU N N 103 118.066 118.066 118.428 -0.362 18098 2286 1 4 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.261 -0.147 18098 2287 1 4 . 1 1 103 103 GLU C C 103 177.375 177.375 177.247 0.128 18098 2288 1 4 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.168 -0.367 18098 2289 1 4 . 1 1 103 103 GLU CB C 103 30.026 30.026 30.157 -0.131 18098 2290 1 4 . 1 1 103 103 GLU H H 103 7.809 7.809 7.684 0.125 18098 2291 1 4 . 1 1 104 104 ASN N N 104 117.241 117.241 115.032 2.209 18098 2292 1 4 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.932 -0.285 18098 2293 1 4 . 1 1 104 104 ASN C C 104 175.752 175.752 176.477 -0.725 18098 2294 1 4 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.072 0.667 18098 2295 1 4 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.997 -0.375 18098 2296 1 4 . 1 1 104 104 ASN H H 104 7.917 7.917 7.858 0.059 18098 2297 1 4 . 1 1 105 105 LYS N N 105 121.903 121.903 120.729 1.174 18098 2298 1 4 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.863 0.205 18098 2299 1 4 . 1 1 105 105 LYS C C 105 177.311 177.311 176.750 0.561 18098 2300 1 4 . 1 1 105 105 LYS CA C 105 57.374 57.374 57.686 -0.312 18098 2301 1 4 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.199 0.838 18098 2302 1 4 . 1 1 105 105 LYS H H 105 8.093 8.093 7.448 0.645 18098 2303 1 4 . 1 1 106 106 GLU N N 106 119.595 119.595 117.285 2.310 18098 2304 1 4 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.464 -0.195 18098 2305 1 4 . 1 1 106 106 GLU C C 106 176.585 176.585 176.290 0.295 18098 2306 1 4 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.752 -0.061 18098 2307 1 4 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.568 0.132 18098 2308 1 4 . 1 1 106 106 GLU H H 106 8.200 8.200 8.383 -0.183 18098 2309 1 4 . 1 1 107 107 LYS N N 107 120.538 120.538 118.818 1.720 18098 2310 1 4 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.369 -0.102 18098 2311 1 4 . 1 1 107 107 LYS C C 107 176.435 176.435 176.466 -0.031 18098 2312 1 4 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.161 0.291 18098 2313 1 4 . 1 1 107 107 LYS CB C 107 33.110 33.110 33.289 -0.179 18098 2314 1 4 . 1 1 107 107 LYS H H 107 7.838 7.838 7.581 0.257 18098 2315 1 4 . 1 1 108 108 GLU N N 108 122.869 122.869 119.814 3.055 18098 2316 1 4 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.364 -0.047 18098 2317 1 4 . 1 1 108 108 GLU C C 108 175.403 175.403 176.948 -1.545 18098 2318 1 4 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.477 1.088 18098 2319 1 4 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.261 -0.204 18098 2320 1 4 . 1 1 108 108 GLU H H 108 8.313 8.313 7.769 0.544 18098 2321 1 5 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.866 -0.224 18098 2322 1 5 . 1 1 10 10 HIS C C 10 174.891 174.891 174.468 0.423 18098 2323 1 5 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.616 0.414 18098 2324 1 5 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.422 -0.309 18098 2325 1 5 . 1 1 11 11 MET N N 11 121.211 121.211 121.966 -0.755 18098 2326 1 5 . 1 1 11 11 MET HA H 11 4.417 4.417 4.528 -0.111 18098 2327 1 5 . 1 1 11 11 MET C C 11 175.709 175.709 176.490 -0.781 18098 2328 1 5 . 1 1 11 11 MET CA C 11 55.405 55.405 54.225 1.180 18098 2329 1 5 . 1 1 11 11 MET CB C 11 32.776 32.776 33.057 -0.281 18098 2330 1 5 . 1 1 11 11 MET H H 11 8.179 8.179 8.376 -0.197 18098 2331 1 5 . 1 1 12 12 ILE N N 12 122.511 122.511 123.047 -0.536 18098 2332 1 5 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.134 -0.011 18098 2333 1 5 . 1 1 12 12 ILE C C 12 175.809 175.809 176.220 -0.411 18098 2334 1 5 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.783 0.019 18098 2335 1 5 . 1 1 12 12 ILE CB C 12 38.531 38.531 37.193 1.338 18098 2336 1 5 . 1 1 12 12 ILE H H 12 8.088 8.088 8.247 -0.159 18098 2337 1 5 . 1 1 13 13 LYS N N 13 126.072 126.072 129.306 -3.234 18098 2338 1 5 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.258 0.070 18098 2339 1 5 . 1 1 13 13 LYS C C 13 176.108 176.108 176.658 -0.550 18098 2340 1 5 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.623 -0.570 18098 2341 1 5 . 1 1 13 13 LYS CB C 13 32.915 32.915 30.816 2.099 18098 2342 1 5 . 1 1 13 13 LYS H H 13 8.381 8.381 8.676 -0.295 18098 2343 1 5 . 1 1 14 14 ARG N N 14 123.714 123.714 124.699 -0.985 18098 2344 1 5 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.134 0.310 18098 2345 1 5 . 1 1 14 14 ARG C C 14 176.428 176.428 176.121 0.307 18098 2346 1 5 . 1 1 14 14 ARG CA C 14 55.742 55.742 57.876 -2.134 18098 2347 1 5 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.702 0.079 18098 2348 1 5 . 1 1 14 14 ARG H H 14 8.484 8.484 8.437 0.047 18098 2349 1 5 . 1 1 15 15 THR N N 15 115.338 115.338 112.162 3.176 18098 2350 1 5 . 1 1 15 15 THR HA H 15 4.367 4.367 4.410 -0.043 18098 2351 1 5 . 1 1 15 15 THR C C 15 174.172 174.172 173.886 0.286 18098 2352 1 5 . 1 1 15 15 THR CA C 15 61.501 61.501 61.379 0.122 18098 2353 1 5 . 1 1 15 15 THR CB C 15 69.868 69.868 70.058 -0.190 18098 2354 1 5 . 1 1 15 15 THR H H 15 8.279 8.279 7.879 0.400 18098 2355 1 5 . 1 1 16 16 ASN N N 16 120.727 120.727 122.637 -1.910 18098 2356 1 5 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.708 -0.030 18098 2357 1 5 . 1 1 16 16 ASN C C 16 174.482 174.482 174.534 -0.052 18098 2358 1 5 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.490 -0.418 18098 2359 1 5 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.137 -0.756 18098 2360 1 5 . 1 1 16 16 ASN H H 16 8.612 8.612 8.512 0.100 18098 2361 1 5 . 1 1 17 17 GLU N N 17 123.790 123.790 123.705 0.085 18098 2362 1 5 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.124 0.477 18098 2363 1 5 . 1 1 17 17 GLU C C 17 173.823 173.823 174.576 -0.753 18098 2364 1 5 . 1 1 17 17 GLU CA C 17 53.965 53.965 56.005 -2.040 18098 2365 1 5 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.704 2.059 18098 2366 1 5 . 1 1 17 17 GLU H H 17 8.113 8.113 8.566 -0.453 18098 2367 1 5 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.428 0.087 18098 2368 1 5 . 1 1 18 18 PRO C C 18 177.709 177.709 177.057 0.652 18098 2369 1 5 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.107 0.658 18098 2370 1 5 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.400 0.081 18098 2371 1 5 . 1 1 19 19 LEU N N 19 123.760 123.760 122.210 1.550 18098 2372 1 5 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.096 -0.090 18098 2373 1 5 . 1 1 19 19 LEU C C 19 178.307 178.307 178.208 0.099 18098 2374 1 5 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.978 0.485 18098 2375 1 5 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.262 0.536 18098 2376 1 5 . 1 1 19 19 LEU H H 19 8.720 8.720 8.505 0.215 18098 2377 1 5 . 1 1 20 20 ASP N N 20 115.650 115.650 118.446 -2.796 18098 2378 1 5 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.413 -0.052 18098 2379 1 5 . 1 1 20 20 ASP C C 20 179.531 179.531 178.458 1.073 18098 2380 1 5 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.668 -0.581 18098 2381 1 5 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.275 -0.954 18098 2382 1 5 . 1 1 20 20 ASP H H 20 8.829 8.829 8.825 0.004 18098 2383 1 5 . 1 1 21 21 LYS N N 21 121.462 121.462 120.110 1.352 18098 2384 1 5 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.103 0.029 18098 2385 1 5 . 1 1 21 21 LYS C C 21 178.421 178.421 178.523 -0.102 18098 2386 1 5 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.831 -0.548 18098 2387 1 5 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.399 -0.419 18098 2388 1 5 . 1 1 21 21 LYS H H 21 7.352 7.352 8.232 -0.880 18098 2389 1 5 . 1 1 22 22 LYS N N 22 123.296 123.296 120.327 2.969 18098 2390 1 5 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.039 -0.049 18098 2391 1 5 . 1 1 22 22 LYS C C 22 178.179 178.179 178.246 -0.067 18098 2392 1 5 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.601 0.253 18098 2393 1 5 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.438 0.349 18098 2394 1 5 . 1 1 22 22 LYS H H 22 8.407 8.407 8.304 0.103 18098 2395 1 5 . 1 1 23 23 ARG N N 23 116.950 116.950 119.312 -2.362 18098 2396 1 5 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.992 -0.258 18098 2397 1 5 . 1 1 23 23 ARG C C 23 177.460 177.460 178.432 -0.972 18098 2398 1 5 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.469 1.036 18098 2399 1 5 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.200 0.067 18098 2400 1 5 . 1 1 23 23 ARG H H 23 8.594 8.594 8.103 0.491 18098 2401 1 5 . 1 1 24 24 ALA N N 24 118.391 118.391 120.641 -2.250 18098 2402 1 5 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.136 -0.092 18098 2403 1 5 . 1 1 24 24 ALA C C 24 180.514 180.514 179.740 0.774 18098 2404 1 5 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.046 0.023 18098 2405 1 5 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.155 -0.221 18098 2406 1 5 . 1 1 24 24 ALA H H 24 7.505 7.505 7.902 -0.397 18098 2407 1 5 . 1 1 25 25 ARG N N 25 120.413 120.413 119.440 0.973 18098 2408 1 5 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.209 -0.002 18098 2409 1 5 . 1 1 25 25 ARG C C 25 178.058 178.058 178.815 -0.757 18098 2410 1 5 . 1 1 25 25 ARG CA C 25 59.393 59.393 58.796 0.597 18098 2411 1 5 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.139 -0.527 18098 2412 1 5 . 1 1 25 25 ARG H H 25 8.291 8.291 7.809 0.482 18098 2413 1 5 . 1 1 26 26 LEU N N 26 119.205 119.205 120.132 -0.927 18098 2414 1 5 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.180 -0.035 18098 2415 1 5 . 1 1 26 26 LEU C C 26 180.642 180.642 179.342 1.300 18098 2416 1 5 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.884 -0.109 18098 2417 1 5 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.114 -0.414 18098 2418 1 5 . 1 1 26 26 LEU H H 26 8.305 8.305 8.193 0.112 18098 2419 1 5 . 1 1 27 27 ILE N N 27 123.643 123.643 119.408 4.235 18098 2420 1 5 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.777 -0.176 18098 2421 1 5 . 1 1 27 27 ILE C C 27 177.716 177.716 178.644 -0.928 18098 2422 1 5 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.328 0.824 18098 2423 1 5 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.857 -0.016 18098 2424 1 5 . 1 1 27 27 ILE H H 27 8.488 8.488 7.848 0.640 18098 2425 1 5 . 1 1 28 28 TYR N N 28 121.443 121.443 120.299 1.144 18098 2426 1 5 . 1 1 28 28 TYR HA H 28 4.215 4.215 3.994 0.221 18098 2427 1 5 . 1 1 28 28 TYR C C 28 178.656 178.656 177.474 1.182 18098 2428 1 5 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.884 -0.441 18098 2429 1 5 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.216 -0.382 18098 2430 1 5 . 1 1 28 28 TYR H H 28 7.832 7.832 8.138 -0.306 18098 2431 1 5 . 1 1 29 29 GLN N N 29 115.999 115.999 115.783 0.216 18098 2432 1 5 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.724 0.137 18098 2433 1 5 . 1 1 29 29 GLN C C 29 178.537 178.537 177.566 0.971 18098 2434 1 5 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.782 0.415 18098 2435 1 5 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.673 0.615 18098 2436 1 5 . 1 1 29 29 GLN H H 29 8.965 8.965 7.823 1.142 18098 2437 1 5 . 1 1 30 30 SER N N 30 115.599 115.599 113.590 2.009 18098 2438 1 5 . 1 1 30 30 SER HA H 30 4.100 4.100 4.346 -0.246 18098 2439 1 5 . 1 1 30 30 SER C C 30 171.004 171.004 175.869 -4.865 18098 2440 1 5 . 1 1 30 30 SER CA C 30 61.818 61.818 60.749 1.069 18098 2441 1 5 . 1 1 30 30 SER CB C 30 63.196 63.196 64.022 -0.826 18098 2442 1 5 . 1 1 30 30 SER H H 30 7.643 7.643 7.538 0.105 18098 2443 1 5 . 1 1 31 31 ARG N N 31 114.000 114.000 120.138 -6.138 18098 2444 1 5 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.217 0.409 18098 2445 1 5 . 1 1 31 31 ARG C C 31 176.556 176.556 176.453 0.103 18098 2446 1 5 . 1 1 31 31 ARG CA C 31 55.010 55.010 57.362 -2.352 18098 2447 1 5 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.773 -0.114 18098 2448 1 5 . 1 1 31 31 ARG H H 31 6.987 6.987 7.577 -0.590 18098 2449 1 5 . 1 1 32 32 LYS N N 32 120.507 120.507 120.321 0.186 18098 2450 1 5 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.327 0.178 18098 2451 1 5 . 1 1 32 32 LYS C C 32 176.577 176.577 175.314 1.263 18098 2452 1 5 . 1 1 32 32 LYS CA C 32 54.191 54.191 56.108 -1.917 18098 2453 1 5 . 1 1 32 32 LYS CB C 32 31.070 31.070 33.053 -1.983 18098 2454 1 5 . 1 1 32 32 LYS H H 32 7.245 7.245 7.238 0.007 18098 2455 1 5 . 1 1 33 33 ARG N N 33 119.630 119.630 124.156 -4.526 18098 2456 1 5 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.464 0.012 18098 2457 1 5 . 1 1 33 33 ARG C C 33 177.289 177.289 176.105 1.184 18098 2458 1 5 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.354 -1.965 18098 2459 1 5 . 1 1 33 33 ARG CB C 33 27.343 27.343 33.696 -6.353 18098 2460 1 5 . 1 1 33 33 ARG H H 33 8.831 8.831 7.955 0.876 18098 2461 1 5 . 1 1 34 34 GLY N N 34 107.776 107.776 109.662 -1.886 18098 2462 1 5 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.758 0.155 18098 2463 1 5 . 1 1 34 34 GLY H H 34 8.652 8.652 8.375 0.277 18098 2464 1 5 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.079 0.267 18098 2465 1 5 . 1 1 35 35 ILE C C 35 175.624 175.624 176.153 -0.529 18098 2466 1 5 . 1 1 35 35 ILE CA C 35 58.004 58.004 58.275 -0.271 18098 2467 1 5 . 1 1 35 35 ILE CB C 35 38.883 38.883 38.125 0.758 18098 2468 1 5 . 1 1 35 35 ILE H H 35 6.841 6.841 7.686 -0.845 18098 2469 1 5 . 1 1 36 36 LEU N N 36 128.200 128.200 127.664 0.536 18098 2470 1 5 . 1 1 36 36 LEU HA H 36 3.940 3.940 3.934 0.006 18098 2471 1 5 . 1 1 36 36 LEU C C 36 177.994 177.994 178.983 -0.989 18098 2472 1 5 . 1 1 36 36 LEU CA C 36 58.018 58.018 58.498 -0.480 18098 2473 1 5 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.901 0.982 18098 2474 1 5 . 1 1 36 36 LEU H H 36 8.518 8.518 8.624 -0.106 18098 2475 1 5 . 1 1 37 37 GLU N N 37 118.515 118.515 117.779 0.736 18098 2476 1 5 . 1 1 37 37 GLU HA H 37 3.540 3.540 4.024 -0.484 18098 2477 1 5 . 1 1 37 37 GLU C C 37 179.332 179.332 178.626 0.706 18098 2478 1 5 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.195 2.312 18098 2479 1 5 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.476 -0.740 18098 2480 1 5 . 1 1 37 37 GLU H H 37 9.964 9.964 8.546 1.418 18098 2481 1 5 . 1 1 38 38 THR N N 38 111.283 111.283 114.880 -3.597 18098 2482 1 5 . 1 1 38 38 THR HA H 38 3.867 3.867 4.003 -0.136 18098 2483 1 5 . 1 1 38 38 THR C C 38 175.061 175.061 176.044 -0.983 18098 2484 1 5 . 1 1 38 38 THR CA C 38 65.735 65.735 66.810 -1.075 18098 2485 1 5 . 1 1 38 38 THR CB C 38 67.623 67.623 68.213 -0.590 18098 2486 1 5 . 1 1 38 38 THR H H 38 6.425 6.425 7.697 -1.272 18098 2487 1 5 . 1 1 39 39 ASP N N 39 124.325 124.325 123.138 1.187 18098 2488 1 5 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.397 0.116 18098 2489 1 5 . 1 1 39 39 ASP C C 39 179.225 179.225 178.326 0.899 18098 2490 1 5 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.460 -0.362 18098 2491 1 5 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.920 0.963 18098 2492 1 5 . 1 1 39 39 ASP H H 39 7.997 7.997 7.915 0.082 18098 2493 1 5 . 1 1 40 40 LEU N N 40 118.757 118.757 119.282 -0.525 18098 2494 1 5 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.142 -0.131 18098 2495 1 5 . 1 1 40 40 LEU C C 40 180.528 180.528 179.447 1.081 18098 2496 1 5 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.361 0.731 18098 2497 1 5 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.856 -0.058 18098 2498 1 5 . 1 1 40 40 LEU H H 40 8.623 8.623 7.908 0.715 18098 2499 1 5 . 1 1 41 41 LEU N N 41 119.923 119.923 121.460 -1.537 18098 2500 1 5 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.362 0.031 18098 2501 1 5 . 1 1 41 41 LEU C C 41 177.631 177.631 178.410 -0.779 18098 2502 1 5 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.345 0.012 18098 2503 1 5 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.915 1.424 18098 2504 1 5 . 1 1 41 41 LEU H H 41 7.382 7.382 7.668 -0.286 18098 2505 1 5 . 1 1 42 42 LEU N N 42 115.623 115.623 117.560 -1.937 18098 2506 1 5 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.048 0.225 18098 2507 1 5 . 1 1 42 42 LEU C C 42 179.489 179.489 179.318 0.171 18098 2508 1 5 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.672 -0.103 18098 2509 1 5 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.382 -0.898 18098 2510 1 5 . 1 1 42 42 LEU H H 42 8.963 8.963 8.111 0.852 18098 2511 1 5 . 1 1 43 43 SER N N 43 115.349 115.349 115.384 -0.035 18098 2512 1 5 . 1 1 43 43 SER HA H 43 4.039 4.039 4.205 -0.166 18098 2513 1 5 . 1 1 43 43 SER C C 43 178.200 178.200 176.945 1.255 18098 2514 1 5 . 1 1 43 43 SER CA C 43 62.665 62.665 61.811 0.854 18098 2515 1 5 . 1 1 43 43 SER CB C 43 62.476 62.476 62.992 -0.516 18098 2516 1 5 . 1 1 43 43 SER H H 43 8.535 8.535 8.692 -0.157 18098 2517 1 5 . 1 1 44 44 GLY N N 44 110.034 110.034 108.581 1.453 18098 2518 1 5 . 1 1 44 44 GLY C C 44 175.624 175.624 175.656 -0.032 18098 2519 1 5 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.745 0.399 18098 2520 1 5 . 1 1 44 44 GLY H H 44 7.812 7.812 7.756 0.056 18098 2521 1 5 . 1 1 45 45 PHE N N 45 125.487 125.487 122.348 3.139 18098 2522 1 5 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.296 -0.358 18098 2523 1 5 . 1 1 45 45 PHE C C 45 177.482 177.482 176.309 1.173 18098 2524 1 5 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.699 0.546 18098 2525 1 5 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.766 1.153 18098 2526 1 5 . 1 1 45 45 PHE H H 45 8.542 8.542 7.624 0.918 18098 2527 1 5 . 1 1 46 46 ALA N N 46 121.034 121.034 121.253 -0.219 18098 2528 1 5 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.698 0.034 18098 2529 1 5 . 1 1 46 46 ALA C C 46 179.916 179.916 178.502 1.414 18098 2530 1 5 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.579 0.129 18098 2531 1 5 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.204 -0.107 18098 2532 1 5 . 1 1 46 46 ALA H H 46 9.262 9.262 7.751 1.511 18098 2533 1 5 . 1 1 47 47 ALA N N 47 117.642 117.642 119.749 -2.107 18098 2534 1 5 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.010 -0.039 18098 2535 1 5 . 1 1 47 47 ALA C C 47 178.250 178.250 178.835 -0.585 18098 2536 1 5 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.856 -0.473 18098 2537 1 5 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.531 -0.330 18098 2538 1 5 . 1 1 47 47 ALA H H 47 7.481 7.481 7.697 -0.216 18098 2539 1 5 . 1 1 48 48 LYS N N 48 115.388 115.388 117.810 -2.422 18098 2540 1 5 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.004 0.096 18098 2541 1 5 . 1 1 48 48 LYS C C 48 177.845 177.845 178.931 -1.086 18098 2542 1 5 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.745 -0.985 18098 2543 1 5 . 1 1 48 48 LYS CB C 48 33.786 33.786 32.706 1.080 18098 2544 1 5 . 1 1 48 48 LYS H H 48 7.056 7.056 7.360 -0.304 18098 2545 1 5 . 1 1 49 49 TYR N N 49 112.714 112.714 118.041 -5.327 18098 2546 1 5 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.049 0.247 18098 2547 1 5 . 1 1 49 49 TYR C C 49 178.272 178.272 178.121 0.151 18098 2548 1 5 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.396 -1.273 18098 2549 1 5 . 1 1 49 49 TYR CB C 49 40.260 40.260 37.967 2.293 18098 2550 1 5 . 1 1 49 49 TYR H H 49 7.941 7.941 7.955 -0.014 18098 2551 1 5 . 1 1 50 50 LEU N N 50 120.890 120.890 119.140 1.750 18098 2552 1 5 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.790 0.185 18098 2553 1 5 . 1 1 50 50 LEU C C 50 180.108 180.108 178.592 1.516 18098 2554 1 5 . 1 1 50 50 LEU CA C 50 59.709 59.709 58.475 1.234 18098 2555 1 5 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.038 -0.202 18098 2556 1 5 . 1 1 50 50 LEU H H 50 7.945 7.945 7.867 0.078 18098 2557 1 5 . 1 1 51 51 LYS N N 51 115.335 115.335 118.269 -2.934 18098 2558 1 5 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.953 -0.095 18098 2559 1 5 . 1 1 51 51 LYS C C 51 176.051 176.051 177.587 -1.536 18098 2560 1 5 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.881 -0.076 18098 2561 1 5 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.170 -0.663 18098 2562 1 5 . 1 1 51 51 LYS H H 51 8.463 8.463 8.397 0.066 18098 2563 1 5 . 1 1 52 52 LYS N N 52 115.175 115.175 113.879 1.296 18098 2564 1 5 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.274 0.136 18098 2565 1 5 . 1 1 52 52 LYS C C 52 176.777 176.777 177.291 -0.514 18098 2566 1 5 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.988 -0.903 18098 2567 1 5 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.873 0.243 18098 2568 1 5 . 1 1 52 52 LYS H H 52 7.232 7.232 7.523 -0.291 18098 2569 1 5 . 1 1 53 53 MET N N 53 120.127 120.127 122.097 -1.970 18098 2570 1 5 . 1 1 53 53 MET HA H 53 4.485 4.485 4.271 0.214 18098 2571 1 5 . 1 1 53 53 MET C C 53 176.179 176.179 174.896 1.283 18098 2572 1 5 . 1 1 53 53 MET CA C 53 57.091 57.091 56.143 0.948 18098 2573 1 5 . 1 1 53 53 MET CB C 53 34.125 34.125 34.140 -0.015 18098 2574 1 5 . 1 1 53 53 MET H H 53 7.175 7.175 7.615 -0.440 18098 2575 1 5 . 1 1 54 54 ASN N N 54 120.819 120.819 123.196 -2.377 18098 2576 1 5 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.631 0.134 18098 2577 1 5 . 1 1 54 54 ASN C C 54 175.154 175.154 176.376 -1.222 18098 2578 1 5 . 1 1 54 54 ASN CA C 54 50.941 50.941 53.295 -2.354 18098 2579 1 5 . 1 1 54 54 ASN CB C 54 38.535 38.535 40.296 -1.761 18098 2580 1 5 . 1 1 54 54 ASN H H 54 9.045 9.045 8.472 0.573 18098 2581 1 5 . 1 1 55 55 GLU N N 55 116.971 116.971 122.534 -5.563 18098 2582 1 5 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.957 -0.133 18098 2583 1 5 . 1 1 55 55 GLU C C 55 178.122 178.122 178.609 -0.487 18098 2584 1 5 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.639 0.613 18098 2585 1 5 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.458 0.211 18098 2586 1 5 . 1 1 55 55 GLU H H 55 8.891 8.891 8.970 -0.079 18098 2587 1 5 . 1 1 56 56 GLU N N 56 119.652 119.652 118.742 0.910 18098 2588 1 5 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.097 0.040 18098 2589 1 5 . 1 1 56 56 GLU C C 56 179.937 179.937 179.233 0.704 18098 2590 1 5 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.672 0.144 18098 2591 1 5 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.321 -0.239 18098 2592 1 5 . 1 1 56 56 GLU H H 56 8.366 8.366 8.628 -0.262 18098 2593 1 5 . 1 1 57 57 GLU N N 57 122.119 122.119 119.511 2.608 18098 2594 1 5 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.202 0.063 18098 2595 1 5 . 1 1 57 57 GLU C C 57 179.332 179.332 179.068 0.264 18098 2596 1 5 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.860 0.299 18098 2597 1 5 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.323 -0.023 18098 2598 1 5 . 1 1 57 57 GLU H H 57 8.491 8.491 8.523 -0.032 18098 2599 1 5 . 1 1 58 58 LEU N N 58 119.424 119.424 119.311 0.113 18098 2600 1 5 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.159 -0.023 18098 2601 1 5 . 1 1 58 58 LEU C C 58 179.218 179.218 179.301 -0.083 18098 2602 1 5 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.309 -0.624 18098 2603 1 5 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.908 -0.059 18098 2604 1 5 . 1 1 58 58 LEU H H 58 8.693 8.693 8.268 0.425 18098 2605 1 5 . 1 1 59 59 GLU N N 59 118.813 118.813 118.206 0.607 18098 2606 1 5 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.092 0.208 18098 2607 1 5 . 1 1 59 59 GLU C C 59 179.361 179.361 179.179 0.182 18098 2608 1 5 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.304 -0.265 18098 2609 1 5 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.128 -0.024 18098 2610 1 5 . 1 1 59 59 GLU H H 59 8.009 8.009 7.858 0.151 18098 2611 1 5 . 1 1 60 60 GLU N N 60 121.472 121.472 120.840 0.632 18098 2612 1 5 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.172 0.084 18098 2613 1 5 . 1 1 60 60 GLU C C 60 178.451 178.451 178.593 -0.142 18098 2614 1 5 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.683 0.966 18098 2615 1 5 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.441 0.323 18098 2616 1 5 . 1 1 60 60 GLU H H 60 7.867 7.867 7.726 0.141 18098 2617 1 5 . 1 1 61 61 TYR N N 61 121.955 121.955 120.106 1.849 18098 2618 1 5 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.383 -0.249 18098 2619 1 5 . 1 1 61 61 TYR C C 61 176.278 176.278 177.491 -1.213 18098 2620 1 5 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.222 0.949 18098 2621 1 5 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.799 -0.609 18098 2622 1 5 . 1 1 61 61 TYR H H 61 8.675 8.675 8.187 0.488 18098 2623 1 5 . 1 1 62 62 ASP N N 62 118.314 118.314 119.040 -0.726 18098 2624 1 5 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.277 -0.014 18098 2625 1 5 . 1 1 62 62 ASP C C 62 178.464 178.464 178.596 -0.132 18098 2626 1 5 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.718 -0.973 18098 2627 1 5 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.663 0.882 18098 2628 1 5 . 1 1 62 62 ASP H H 62 8.481 8.481 8.126 0.355 18098 2629 1 5 . 1 1 63 63 SER N N 63 111.380 111.380 115.669 -4.289 18098 2630 1 5 . 1 1 63 63 SER HA H 63 4.361 4.361 4.208 0.153 18098 2631 1 5 . 1 1 63 63 SER C C 63 178.763 178.763 176.942 1.821 18098 2632 1 5 . 1 1 63 63 SER CA C 63 61.824 61.824 61.417 0.407 18098 2633 1 5 . 1 1 63 63 SER CB C 63 62.830 62.830 63.352 -0.522 18098 2634 1 5 . 1 1 63 63 SER H H 63 7.779 7.779 7.735 0.044 18098 2635 1 5 . 1 1 64 64 LEU N N 64 127.444 127.444 123.476 3.968 18098 2636 1 5 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.316 -0.260 18098 2637 1 5 . 1 1 64 64 LEU C C 64 177.688 177.688 177.396 0.292 18098 2638 1 5 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.577 0.474 18098 2639 1 5 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.862 -1.687 18098 2640 1 5 . 1 1 64 64 LEU H H 64 8.616 8.616 7.555 1.061 18098 2641 1 5 . 1 1 65 65 LEU N N 65 114.503 114.503 115.069 -0.566 18098 2642 1 5 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.967 -0.199 18098 2643 1 5 . 1 1 65 65 LEU C C 65 178.506 178.506 177.759 0.747 18098 2644 1 5 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.438 -0.073 18098 2645 1 5 . 1 1 65 65 LEU CB C 65 40.463 40.463 41.247 -0.784 18098 2646 1 5 . 1 1 65 65 LEU H H 65 7.700 7.700 7.435 0.265 18098 2647 1 5 . 1 1 66 66 ASN N N 66 116.208 116.208 114.643 1.565 18098 2648 1 5 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.770 -0.031 18098 2649 1 5 . 1 1 66 66 ASN C C 66 176.008 176.008 175.627 0.381 18098 2650 1 5 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.740 0.145 18098 2651 1 5 . 1 1 66 66 ASN CB C 66 39.259 39.259 39.166 0.093 18098 2652 1 5 . 1 1 66 66 ASN H H 66 7.533 7.533 7.672 -0.139 18098 2653 1 5 . 1 1 67 67 GLU N N 67 120.300 120.300 119.958 0.342 18098 2654 1 5 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.523 -0.034 18098 2655 1 5 . 1 1 67 67 GLU C C 67 175.410 175.410 176.125 -0.715 18098 2656 1 5 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.366 -0.400 18098 2657 1 5 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.749 -2.329 18098 2658 1 5 . 1 1 67 67 GLU H H 67 7.948 7.948 7.563 0.385 18098 2659 1 5 . 1 1 68 68 LEU N N 68 120.037 120.037 122.015 -1.978 18098 2660 1 5 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.291 -0.161 18098 2661 1 5 . 1 1 68 68 LEU C C 68 178.720 178.720 177.806 0.914 18098 2662 1 5 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.904 -0.198 18098 2663 1 5 . 1 1 68 68 LEU CB C 68 41.508 41.508 41.944 -0.436 18098 2664 1 5 . 1 1 68 68 LEU H H 68 9.451 9.451 8.487 0.964 18098 2665 1 5 . 1 1 69 69 ASP N N 69 120.774 120.774 125.478 -4.704 18098 2666 1 5 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.167 0.010 18098 2667 1 5 . 1 1 69 69 ASP C C 69 179.446 179.446 178.397 1.049 18098 2668 1 5 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.594 0.042 18098 2669 1 5 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.368 0.486 18098 2670 1 5 . 1 1 69 69 ASP H H 69 8.445 8.445 8.761 -0.316 18098 2671 1 5 . 1 1 70 70 TRP N N 70 117.865 117.865 120.078 -2.213 18098 2672 1 5 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.331 -0.213 18098 2673 1 5 . 1 1 70 70 TRP C C 70 176.983 176.983 178.043 -1.060 18098 2674 1 5 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.745 0.358 18098 2675 1 5 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.383 -0.992 18098 2676 1 5 . 1 1 70 70 TRP H H 70 8.809 8.809 8.062 0.747 18098 2677 1 5 . 1 1 71 71 ASP N N 71 116.993 116.993 118.609 -1.616 18098 2678 1 5 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.083 -0.221 18098 2679 1 5 . 1 1 71 71 ASP C C 71 175.218 175.218 177.701 -2.483 18098 2680 1 5 . 1 1 71 71 ASP CA C 71 57.453 57.453 58.238 -0.785 18098 2681 1 5 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.923 -1.200 18098 2682 1 5 . 1 1 71 71 ASP H H 71 6.134 6.134 8.173 -2.039 18098 2683 1 5 . 1 1 72 72 ILE N N 72 115.361 115.361 119.804 -4.443 18098 2684 1 5 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.220 -0.348 18098 2685 1 5 . 1 1 72 72 ILE C C 72 177.097 177.097 177.482 -0.385 18098 2686 1 5 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.925 1.194 18098 2687 1 5 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.666 0.613 18098 2688 1 5 . 1 1 72 72 ILE H H 72 7.302 7.302 7.577 -0.275 18098 2689 1 5 . 1 1 73 73 TYR N N 73 116.121 116.121 120.774 -4.653 18098 2690 1 5 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.918 -0.177 18098 2691 1 5 . 1 1 73 73 TYR C C 73 178.827 178.827 177.212 1.615 18098 2692 1 5 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.227 -0.077 18098 2693 1 5 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.426 -0.254 18098 2694 1 5 . 1 1 73 73 TYR H H 73 7.327 7.327 7.465 -0.138 18098 2695 1 5 . 1 1 74 74 TYR N N 74 121.029 121.029 117.889 3.140 18098 2696 1 5 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.381 -0.105 18098 2697 1 5 . 1 1 74 74 TYR C C 74 178.165 178.165 178.180 -0.015 18098 2698 1 5 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.864 -0.587 18098 2699 1 5 . 1 1 74 74 TYR CB C 74 35.784 35.784 38.188 -2.404 18098 2700 1 5 . 1 1 74 74 TYR H H 74 8.922 8.922 7.971 0.951 18098 2701 1 5 . 1 1 75 75 TRP N N 75 121.118 121.118 119.669 1.449 18098 2702 1 5 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.770 -0.015 18098 2703 1 5 . 1 1 75 75 TRP C C 75 180.599 180.599 178.903 1.696 18098 2704 1 5 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.153 -1.383 18098 2705 1 5 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.076 0.335 18098 2706 1 5 . 1 1 75 75 TRP H H 75 9.201 9.201 8.083 1.118 18098 2707 1 5 . 1 1 76 76 ALA N N 76 122.129 122.129 120.904 1.225 18098 2708 1 5 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.162 -0.206 18098 2709 1 5 . 1 1 76 76 ALA C C 76 177.546 177.546 179.028 -1.482 18098 2710 1 5 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.492 0.708 18098 2711 1 5 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.686 0.539 18098 2712 1 5 . 1 1 76 76 ALA H H 76 8.761 8.761 7.756 1.005 18098 2713 1 5 . 1 1 77 77 THR N N 77 102.584 102.584 108.690 -6.106 18098 2714 1 5 . 1 1 77 77 THR HA H 77 4.192 4.192 4.346 -0.154 18098 2715 1 5 . 1 1 77 77 THR C C 77 173.425 173.425 175.284 -1.859 18098 2716 1 5 . 1 1 77 77 THR CA C 77 60.767 60.767 61.568 -0.801 18098 2717 1 5 . 1 1 77 77 THR CB C 77 69.573 69.573 69.236 0.337 18098 2718 1 5 . 1 1 77 77 THR H H 77 7.411 7.411 7.573 -0.162 18098 2719 1 5 . 1 1 78 78 LYS N N 78 116.069 116.069 117.276 -1.207 18098 2720 1 5 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.206 -0.376 18098 2721 1 5 . 1 1 78 78 LYS C C 78 174.514 174.514 174.375 0.139 18098 2722 1 5 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.261 -0.019 18098 2723 1 5 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.658 -2.325 18098 2724 1 5 . 1 1 78 78 LYS H H 78 7.420 7.420 7.569 -0.149 18098 2725 1 5 . 1 1 79 79 ASN N N 79 120.318 120.318 118.503 1.815 18098 2726 1 5 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.700 0.097 18098 2727 1 5 . 1 1 79 79 ASN C C 79 175.581 175.581 175.238 0.343 18098 2728 1 5 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.992 -1.397 18098 2729 1 5 . 1 1 79 79 ASN CB C 79 36.999 36.999 37.400 -0.401 18098 2730 1 5 . 1 1 79 79 ASN H H 79 8.828 8.828 7.808 1.020 18098 2731 1 5 . 1 1 80 80 PHE N N 80 120.545 120.545 120.213 0.332 18098 2732 1 5 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.753 0.116 18098 2733 1 5 . 1 1 80 80 PHE C C 80 177.311 177.311 176.723 0.588 18098 2734 1 5 . 1 1 80 80 PHE CA C 80 56.745 56.745 57.229 -0.484 18098 2735 1 5 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.366 -0.155 18098 2736 1 5 . 1 1 80 80 PHE H H 80 7.581 7.581 7.506 0.075 18098 2737 1 5 . 1 1 81 81 LYS N N 81 118.568 118.568 118.927 -0.359 18098 2738 1 5 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.053 0.008 18098 2739 1 5 . 1 1 81 81 LYS C C 81 177.845 177.845 177.816 0.029 18098 2740 1 5 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.836 -0.328 18098 2741 1 5 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.978 0.113 18098 2742 1 5 . 1 1 81 81 LYS H H 81 7.999 7.999 8.080 -0.081 18098 2743 1 5 . 1 1 82 82 THR N N 82 111.828 111.828 108.740 3.088 18098 2744 1 5 . 1 1 82 82 THR HA H 82 4.098 4.098 4.183 -0.085 18098 2745 1 5 . 1 1 82 82 THR C C 82 174.556 174.556 175.407 -0.851 18098 2746 1 5 . 1 1 82 82 THR CA C 82 63.796 63.796 62.688 1.108 18098 2747 1 5 . 1 1 82 82 THR CB C 82 68.509 68.509 69.466 -0.957 18098 2748 1 5 . 1 1 82 82 THR H H 82 7.419 7.419 7.768 -0.349 18098 2749 1 5 . 1 1 83 83 SER N N 83 115.546 115.546 118.515 -2.969 18098 2750 1 5 . 1 1 83 83 SER HA H 83 5.000 5.000 5.043 -0.043 18098 2751 1 5 . 1 1 83 83 SER C C 83 170.371 170.371 172.435 -2.064 18098 2752 1 5 . 1 1 83 83 SER CA C 83 54.673 54.673 56.742 -2.069 18098 2753 1 5 . 1 1 83 83 SER CB C 83 63.763 63.763 64.361 -0.598 18098 2754 1 5 . 1 1 83 83 SER H H 83 7.312 7.312 7.879 -0.567 18098 2755 1 5 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.524 0.031 18098 2756 1 5 . 1 1 84 84 PRO C C 84 176.855 176.855 175.741 1.114 18098 2757 1 5 . 1 1 84 84 PRO CA C 84 62.540 62.540 63.001 -0.461 18098 2758 1 5 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.366 -0.283 18098 2759 1 5 . 1 1 85 85 LEU N N 85 125.147 125.147 122.509 2.638 18098 2760 1 5 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.062 -0.249 18098 2761 1 5 . 1 1 85 85 LEU C C 85 175.168 175.168 175.144 0.024 18098 2762 1 5 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.124 0.213 18098 2763 1 5 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.410 0.950 18098 2764 1 5 . 1 1 85 85 LEU H H 85 8.171 8.171 7.787 0.384 18098 2765 1 5 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.551 -0.043 18098 2766 1 5 . 1 1 86 86 PRO C C 86 177.111 177.111 177.196 -0.085 18098 2767 1 5 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.227 0.034 18098 2768 1 5 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.828 -0.053 18098 2769 1 5 . 1 1 87 87 ASP N N 87 123.224 123.224 120.597 2.627 18098 2770 1 5 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.148 0.007 18098 2771 1 5 . 1 1 87 87 ASP C C 87 178.392 178.392 177.673 0.719 18098 2772 1 5 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.769 -0.270 18098 2773 1 5 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.661 -0.541 18098 2774 1 5 . 1 1 87 87 ASP H H 87 8.649 8.649 8.645 0.004 18098 2775 1 5 . 1 1 88 88 LYS N N 88 115.960 115.960 118.457 -2.497 18098 2776 1 5 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.834 -0.003 18098 2777 1 5 . 1 1 88 88 LYS C C 88 176.585 176.585 178.702 -2.117 18098 2778 1 5 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.391 -0.132 18098 2779 1 5 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.511 0.223 18098 2780 1 5 . 1 1 88 88 LYS H H 88 8.344 8.344 8.125 0.219 18098 2781 1 5 . 1 1 89 89 TRP N N 89 116.821 116.821 120.492 -3.671 18098 2782 1 5 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.618 0.196 18098 2783 1 5 . 1 1 89 89 TRP C C 89 176.329 176.329 178.811 -2.482 18098 2784 1 5 . 1 1 89 89 TRP CA C 89 56.147 56.147 57.752 -1.605 18098 2785 1 5 . 1 1 89 89 TRP CB C 89 31.502 31.502 29.425 2.077 18098 2786 1 5 . 1 1 89 89 TRP H H 89 7.145 7.145 7.350 -0.205 18098 2787 1 5 . 1 1 90 90 ALA N N 90 122.680 122.680 122.060 0.620 18098 2788 1 5 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.974 -0.108 18098 2789 1 5 . 1 1 90 90 ALA C C 90 177.965 177.965 177.056 0.909 18098 2790 1 5 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.631 0.080 18098 2791 1 5 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.502 -0.123 18098 2792 1 5 . 1 1 90 90 ALA H H 90 7.456 7.456 7.453 0.003 18098 2793 1 5 . 1 1 91 91 ASN N N 91 114.054 114.054 111.411 2.643 18098 2794 1 5 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.793 0.022 18098 2795 1 5 . 1 1 91 91 ASN C C 91 174.727 174.727 175.683 -0.956 18098 2796 1 5 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.224 0.165 18098 2797 1 5 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.170 -0.464 18098 2798 1 5 . 1 1 91 91 ASN H H 91 8.318 8.318 7.731 0.587 18098 2799 1 5 . 1 1 92 92 SER N N 92 113.359 113.359 117.457 -4.098 18098 2800 1 5 . 1 1 92 92 SER HA H 92 4.649 4.649 4.438 0.211 18098 2801 1 5 . 1 1 92 92 SER C C 92 177.033 177.033 175.424 1.609 18098 2802 1 5 . 1 1 92 92 SER CA C 92 57.599 57.599 59.339 -1.740 18098 2803 1 5 . 1 1 92 92 SER CB C 92 64.454 64.454 64.216 0.238 18098 2804 1 5 . 1 1 92 92 SER H H 92 7.255 7.255 7.710 -0.455 18098 2805 1 5 . 1 1 93 93 LYS N N 93 133.672 133.672 125.800 7.872 18098 2806 1 5 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.112 0.018 18098 2807 1 5 . 1 1 93 93 LYS C C 93 178.763 178.763 179.039 -0.276 18098 2808 1 5 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.271 -0.142 18098 2809 1 5 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.205 -0.122 18098 2810 1 5 . 1 1 93 93 LYS H H 93 9.608 9.608 9.005 0.603 18098 2811 1 5 . 1 1 94 94 LEU N N 94 122.086 122.086 120.476 1.610 18098 2812 1 5 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.263 0.088 18098 2813 1 5 . 1 1 94 94 LEU C C 94 178.663 178.663 178.669 -0.006 18098 2814 1 5 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.046 -0.810 18098 2815 1 5 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.647 -0.486 18098 2816 1 5 . 1 1 94 94 LEU H H 94 8.000 8.000 8.120 -0.120 18098 2817 1 5 . 1 1 95 95 LEU N N 95 118.720 118.720 118.349 0.371 18098 2818 1 5 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.881 0.044 18098 2819 1 5 . 1 1 95 95 LEU C C 95 178.530 178.530 178.417 0.113 18098 2820 1 5 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.018 -0.637 18098 2821 1 5 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.615 -0.691 18098 2822 1 5 . 1 1 95 95 LEU H H 95 7.997 7.997 8.217 -0.220 18098 2823 1 5 . 1 1 96 96 LYS N N 96 117.880 117.880 118.395 -0.515 18098 2824 1 5 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.946 0.310 18098 2825 1 5 . 1 1 96 96 LYS C C 96 179.147 179.147 179.321 -0.174 18098 2826 1 5 . 1 1 96 96 LYS CA C 96 59.462 59.462 60.158 -0.696 18098 2827 1 5 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.096 -0.176 18098 2828 1 5 . 1 1 96 96 LYS H H 96 7.341 7.341 7.592 -0.251 18098 2829 1 5 . 1 1 97 97 GLN N N 97 119.660 119.660 118.279 1.381 18098 2830 1 5 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.218 -0.024 18098 2831 1 5 . 1 1 97 97 GLN C C 97 179.040 179.040 178.478 0.562 18098 2832 1 5 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.809 0.273 18098 2833 1 5 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.883 0.164 18098 2834 1 5 . 1 1 97 97 GLN H H 97 8.007 8.007 7.707 0.300 18098 2835 1 5 . 1 1 98 98 LEU N N 98 122.983 122.983 121.753 1.230 18098 2836 1 5 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.715 0.136 18098 2837 1 5 . 1 1 98 98 LEU C C 98 178.841 178.841 178.430 0.411 18098 2838 1 5 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.670 0.411 18098 2839 1 5 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.508 0.388 18098 2840 1 5 . 1 1 98 98 LEU H H 98 8.425 8.425 8.172 0.253 18098 2841 1 5 . 1 1 99 99 GLN N N 99 119.099 119.099 118.512 0.587 18098 2842 1 5 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.221 0.419 18098 2843 1 5 . 1 1 99 99 GLN C C 99 179.660 179.660 178.696 0.964 18098 2844 1 5 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.919 -1.103 18098 2845 1 5 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.559 -1.142 18098 2846 1 5 . 1 1 99 99 GLN H H 99 8.594 8.594 8.286 0.308 18098 2847 1 5 . 1 1 100 100 GLU N N 100 120.803 120.803 119.563 1.240 18098 2848 1 5 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.147 -0.036 18098 2849 1 5 . 1 1 100 100 GLU C C 100 178.870 178.870 179.175 -0.305 18098 2850 1 5 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.037 0.412 18098 2851 1 5 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.453 -0.073 18098 2852 1 5 . 1 1 100 100 GLU H H 100 8.353 8.353 7.722 0.631 18098 2853 1 5 . 1 1 101 101 PHE N N 101 120.752 120.752 119.336 1.416 18098 2854 1 5 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.499 -0.026 18098 2855 1 5 . 1 1 101 101 PHE C C 101 177.289 177.289 176.754 0.535 18098 2856 1 5 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.304 0.813 18098 2857 1 5 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.809 -0.106 18098 2858 1 5 . 1 1 101 101 PHE H H 101 8.544 8.544 8.055 0.489 18098 2859 1 5 . 1 1 102 102 SER N N 102 112.889 112.889 114.895 -2.006 18098 2860 1 5 . 1 1 102 102 SER HA H 102 3.821 3.821 4.038 -0.217 18098 2861 1 5 . 1 1 102 102 SER C C 102 176.414 176.414 176.469 -0.055 18098 2862 1 5 . 1 1 102 102 SER CA C 102 61.123 61.123 61.376 -0.253 18098 2863 1 5 . 1 1 102 102 SER CB C 102 63.193 63.193 63.539 -0.346 18098 2864 1 5 . 1 1 102 102 SER H H 102 8.314 8.314 8.240 0.074 18098 2865 1 5 . 1 1 103 103 GLU N N 103 118.066 118.066 119.307 -1.241 18098 2866 1 5 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.184 -0.070 18098 2867 1 5 . 1 1 103 103 GLU C C 103 177.375 177.375 177.344 0.031 18098 2868 1 5 . 1 1 103 103 GLU CA C 103 57.801 57.801 57.918 -0.117 18098 2869 1 5 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.602 0.424 18098 2870 1 5 . 1 1 103 103 GLU H H 103 7.809 7.809 7.807 0.002 18098 2871 1 5 . 1 1 104 104 ASN N N 104 117.241 117.241 117.424 -0.183 18098 2872 1 5 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.842 -0.195 18098 2873 1 5 . 1 1 104 104 ASN C C 104 175.752 175.752 173.668 2.084 18098 2874 1 5 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.613 1.126 18098 2875 1 5 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.233 -0.611 18098 2876 1 5 . 1 1 104 104 ASN H H 104 7.917 7.917 7.576 0.341 18098 2877 1 5 . 1 1 105 105 LYS N N 105 121.903 121.903 121.248 0.655 18098 2878 1 5 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.723 0.345 18098 2879 1 5 . 1 1 105 105 LYS C C 105 177.311 177.311 176.006 1.305 18098 2880 1 5 . 1 1 105 105 LYS CA C 105 57.374 57.374 56.994 0.380 18098 2881 1 5 . 1 1 105 105 LYS CB C 105 32.037 32.037 30.674 1.363 18098 2882 1 5 . 1 1 105 105 LYS H H 105 8.093 8.093 7.552 0.541 18098 2883 1 5 . 1 1 106 106 GLU N N 106 119.595 119.595 122.353 -2.758 18098 2884 1 5 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.471 -0.202 18098 2885 1 5 . 1 1 106 106 GLU C C 106 176.585 176.585 175.584 1.001 18098 2886 1 5 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.708 0.983 18098 2887 1 5 . 1 1 106 106 GLU CB C 106 29.700 29.700 30.568 -0.868 18098 2888 1 5 . 1 1 106 106 GLU H H 106 8.200 8.200 7.970 0.230 18098 2889 1 5 . 1 1 107 107 LYS N N 107 120.538 120.538 120.545 -0.007 18098 2890 1 5 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.218 0.049 18098 2891 1 5 . 1 1 107 107 LYS C C 107 176.435 176.435 176.048 0.387 18098 2892 1 5 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.875 -0.423 18098 2893 1 5 . 1 1 107 107 LYS CB C 107 33.110 33.110 30.839 2.271 18098 2894 1 5 . 1 1 107 107 LYS H H 107 7.838 7.838 8.188 -0.350 18098 2895 1 5 . 1 1 108 108 GLU N N 108 122.869 122.869 120.681 2.188 18098 2896 1 5 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.589 -0.272 18098 2897 1 5 . 1 1 108 108 GLU C C 108 175.403 175.403 175.570 -0.167 18098 2898 1 5 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.467 1.098 18098 2899 1 5 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.774 -0.717 18098 2900 1 5 . 1 1 108 108 GLU H H 108 8.313 8.313 8.047 0.266 18098 2901 1 6 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.461 0.181 18098 2902 1 6 . 1 1 10 10 HIS C C 10 174.891 174.891 174.924 -0.033 18098 2903 1 6 . 1 1 10 10 HIS CA C 10 56.030 56.030 56.023 0.007 18098 2904 1 6 . 1 1 10 10 HIS CB C 10 30.113 30.113 29.854 0.260 18098 2905 1 6 . 1 1 11 11 MET N N 11 121.211 121.211 121.379 -0.168 18098 2906 1 6 . 1 1 11 11 MET HA H 11 4.417 4.417 4.401 0.016 18098 2907 1 6 . 1 1 11 11 MET C C 11 175.709 175.709 174.946 0.763 18098 2908 1 6 . 1 1 11 11 MET CA C 11 55.405 55.405 54.493 0.912 18098 2909 1 6 . 1 1 11 11 MET CB C 11 32.776 32.776 32.387 0.389 18098 2910 1 6 . 1 1 11 11 MET H H 11 8.179 8.179 7.056 1.123 18098 2911 1 6 . 1 1 12 12 ILE N N 12 122.511 122.511 127.888 -5.377 18098 2912 1 6 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.137 -0.014 18098 2913 1 6 . 1 1 12 12 ILE C C 12 175.809 175.809 175.635 0.174 18098 2914 1 6 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.256 0.546 18098 2915 1 6 . 1 1 12 12 ILE CB C 12 38.531 38.531 36.002 2.529 18098 2916 1 6 . 1 1 12 12 ILE H H 12 8.088 8.088 8.572 -0.484 18098 2917 1 6 . 1 1 13 13 LYS N N 13 126.072 126.072 127.591 -1.519 18098 2918 1 6 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.636 -0.308 18098 2919 1 6 . 1 1 13 13 LYS C C 13 176.108 176.108 175.726 0.382 18098 2920 1 6 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.326 0.727 18098 2921 1 6 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.065 0.851 18098 2922 1 6 . 1 1 13 13 LYS H H 13 8.381 8.381 8.413 -0.032 18098 2923 1 6 . 1 1 14 14 ARG N N 14 123.714 123.714 123.421 0.293 18098 2924 1 6 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.123 0.321 18098 2925 1 6 . 1 1 14 14 ARG C C 14 176.428 176.428 176.129 0.299 18098 2926 1 6 . 1 1 14 14 ARG CA C 14 55.742 55.742 58.421 -2.679 18098 2927 1 6 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.447 0.334 18098 2928 1 6 . 1 1 14 14 ARG H H 14 8.484 8.484 8.565 -0.081 18098 2929 1 6 . 1 1 15 15 THR N N 15 115.338 115.338 115.683 -0.345 18098 2930 1 6 . 1 1 15 15 THR HA H 15 4.367 4.367 4.348 0.019 18098 2931 1 6 . 1 1 15 15 THR C C 15 174.172 174.172 174.102 0.070 18098 2932 1 6 . 1 1 15 15 THR CA C 15 61.501 61.501 63.538 -2.037 18098 2933 1 6 . 1 1 15 15 THR CB C 15 69.868 69.868 67.624 2.244 18098 2934 1 6 . 1 1 15 15 THR H H 15 8.279 8.279 8.084 0.195 18098 2935 1 6 . 1 1 16 16 ASN N N 16 120.727 120.727 123.651 -2.924 18098 2936 1 6 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.824 -0.146 18098 2937 1 6 . 1 1 16 16 ASN C C 16 174.482 174.482 173.738 0.744 18098 2938 1 6 . 1 1 16 16 ASN CA C 16 53.072 53.072 52.994 0.078 18098 2939 1 6 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.410 -1.029 18098 2940 1 6 . 1 1 16 16 ASN H H 16 8.612 8.612 8.193 0.419 18098 2941 1 6 . 1 1 17 17 GLU N N 17 123.790 123.790 122.348 1.442 18098 2942 1 6 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.673 -0.072 18098 2943 1 6 . 1 1 17 17 GLU C C 17 173.823 173.823 174.810 -0.987 18098 2944 1 6 . 1 1 17 17 GLU CA C 17 53.965 53.965 53.361 0.604 18098 2945 1 6 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.410 1.353 18098 2946 1 6 . 1 1 17 17 GLU H H 17 8.113 8.113 7.909 0.204 18098 2947 1 6 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.505 0.010 18098 2948 1 6 . 1 1 18 18 PRO C C 18 177.709 177.709 177.023 0.686 18098 2949 1 6 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.029 0.736 18098 2950 1 6 . 1 1 18 18 PRO CB C 18 32.481 32.481 33.162 -0.681 18098 2951 1 6 . 1 1 19 19 LEU N N 19 123.760 123.760 122.031 1.729 18098 2952 1 6 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.126 -0.120 18098 2953 1 6 . 1 1 19 19 LEU C C 19 178.307 178.307 177.725 0.582 18098 2954 1 6 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.376 1.087 18098 2955 1 6 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.371 0.427 18098 2956 1 6 . 1 1 19 19 LEU H H 19 8.720 8.720 8.563 0.157 18098 2957 1 6 . 1 1 20 20 ASP N N 20 115.650 115.650 118.124 -2.474 18098 2958 1 6 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.383 -0.022 18098 2959 1 6 . 1 1 20 20 ASP C C 20 179.531 179.531 178.897 0.634 18098 2960 1 6 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.708 -0.621 18098 2961 1 6 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.030 -0.709 18098 2962 1 6 . 1 1 20 20 ASP H H 20 8.829 8.829 8.851 -0.022 18098 2963 1 6 . 1 1 21 21 LYS N N 21 121.462 121.462 119.373 2.089 18098 2964 1 6 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.119 0.013 18098 2965 1 6 . 1 1 21 21 LYS C C 21 178.421 178.421 178.625 -0.204 18098 2966 1 6 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.736 -0.453 18098 2967 1 6 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.545 -0.565 18098 2968 1 6 . 1 1 21 21 LYS H H 21 7.352 7.352 7.647 -0.295 18098 2969 1 6 . 1 1 22 22 LYS N N 22 123.296 123.296 120.681 2.615 18098 2970 1 6 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.029 -0.039 18098 2971 1 6 . 1 1 22 22 LYS C C 22 178.179 178.179 178.283 -0.104 18098 2972 1 6 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.745 0.109 18098 2973 1 6 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.395 0.392 18098 2974 1 6 . 1 1 22 22 LYS H H 22 8.407 8.407 7.483 0.924 18098 2975 1 6 . 1 1 23 23 ARG N N 23 116.950 116.950 118.862 -1.912 18098 2976 1 6 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.000 -0.266 18098 2977 1 6 . 1 1 23 23 ARG C C 23 177.460 177.460 178.232 -0.772 18098 2978 1 6 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.572 0.933 18098 2979 1 6 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.206 0.061 18098 2980 1 6 . 1 1 23 23 ARG H H 23 8.594 8.594 7.972 0.622 18098 2981 1 6 . 1 1 24 24 ALA N N 24 118.391 118.391 120.686 -2.295 18098 2982 1 6 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.146 -0.102 18098 2983 1 6 . 1 1 24 24 ALA C C 24 180.514 180.514 179.522 0.992 18098 2984 1 6 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.907 0.162 18098 2985 1 6 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.153 -0.219 18098 2986 1 6 . 1 1 24 24 ALA H H 24 7.505 7.505 8.238 -0.733 18098 2987 1 6 . 1 1 25 25 ARG N N 25 120.413 120.413 119.633 0.780 18098 2988 1 6 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.151 0.056 18098 2989 1 6 . 1 1 25 25 ARG C C 25 178.058 178.058 178.658 -0.600 18098 2990 1 6 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.256 0.137 18098 2991 1 6 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.236 -0.624 18098 2992 1 6 . 1 1 25 25 ARG H H 25 8.291 8.291 7.757 0.534 18098 2993 1 6 . 1 1 26 26 LEU N N 26 119.205 119.205 119.177 0.028 18098 2994 1 6 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.181 -0.036 18098 2995 1 6 . 1 1 26 26 LEU C C 26 180.642 180.642 179.460 1.182 18098 2996 1 6 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.819 -0.043 18098 2997 1 6 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.262 -0.562 18098 2998 1 6 . 1 1 26 26 LEU H H 26 8.305 8.305 8.094 0.211 18098 2999 1 6 . 1 1 27 27 ILE N N 27 123.643 123.643 118.439 5.204 18098 3000 1 6 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.859 -0.258 18098 3001 1 6 . 1 1 27 27 ILE C C 27 177.716 177.716 178.656 -0.940 18098 3002 1 6 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.007 1.145 18098 3003 1 6 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.895 -0.054 18098 3004 1 6 . 1 1 27 27 ILE H H 27 8.488 8.488 7.903 0.585 18098 3005 1 6 . 1 1 28 28 TYR N N 28 121.443 121.443 120.829 0.614 18098 3006 1 6 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.126 0.089 18098 3007 1 6 . 1 1 28 28 TYR C C 28 178.656 178.656 177.336 1.320 18098 3008 1 6 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.551 -0.108 18098 3009 1 6 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.690 -0.856 18098 3010 1 6 . 1 1 28 28 TYR H H 28 7.832 7.832 7.807 0.025 18098 3011 1 6 . 1 1 29 29 GLN N N 29 115.999 115.999 117.225 -1.226 18098 3012 1 6 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.897 -0.036 18098 3013 1 6 . 1 1 29 29 GLN C C 29 178.537 178.537 178.038 0.499 18098 3014 1 6 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.092 0.105 18098 3015 1 6 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.745 0.543 18098 3016 1 6 . 1 1 29 29 GLN H H 29 8.965 8.965 8.334 0.631 18098 3017 1 6 . 1 1 30 30 SER N N 30 115.599 115.599 113.716 1.883 18098 3018 1 6 . 1 1 30 30 SER HA H 30 4.100 4.100 4.255 -0.155 18098 3019 1 6 . 1 1 30 30 SER C C 30 171.004 171.004 175.503 -4.499 18098 3020 1 6 . 1 1 30 30 SER CA C 30 61.818 61.818 61.082 0.736 18098 3021 1 6 . 1 1 30 30 SER CB C 30 63.196 63.196 63.532 -0.336 18098 3022 1 6 . 1 1 30 30 SER H H 30 7.643 7.643 7.890 -0.247 18098 3023 1 6 . 1 1 31 31 ARG N N 31 114.000 114.000 119.783 -5.783 18098 3024 1 6 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.775 -0.149 18098 3025 1 6 . 1 1 31 31 ARG C C 31 176.556 176.556 176.836 -0.280 18098 3026 1 6 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.417 -1.407 18098 3027 1 6 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.637 0.022 18098 3028 1 6 . 1 1 31 31 ARG H H 31 6.987 6.987 7.217 -0.230 18098 3029 1 6 . 1 1 32 32 LYS N N 32 120.507 120.507 121.307 -0.800 18098 3030 1 6 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.264 0.241 18098 3031 1 6 . 1 1 32 32 LYS C C 32 176.577 176.577 175.360 1.217 18098 3032 1 6 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.754 -1.563 18098 3033 1 6 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.141 -1.071 18098 3034 1 6 . 1 1 32 32 LYS H H 32 7.245 7.245 7.405 -0.160 18098 3035 1 6 . 1 1 33 33 ARG N N 33 119.630 119.630 122.936 -3.306 18098 3036 1 6 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.513 -0.037 18098 3037 1 6 . 1 1 33 33 ARG C C 33 177.289 177.289 175.956 1.333 18098 3038 1 6 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.694 -2.305 18098 3039 1 6 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.817 -5.474 18098 3040 1 6 . 1 1 33 33 ARG H H 33 8.831 8.831 8.175 0.656 18098 3041 1 6 . 1 1 34 34 GLY N N 34 107.776 107.776 109.494 -1.718 18098 3042 1 6 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.617 0.296 18098 3043 1 6 . 1 1 34 34 GLY H H 34 8.652 8.652 8.858 -0.206 18098 3044 1 6 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.365 -0.019 18098 3045 1 6 . 1 1 35 35 ILE C C 35 175.624 175.624 175.360 0.264 18098 3046 1 6 . 1 1 35 35 ILE CA C 35 58.004 58.004 58.972 -0.968 18098 3047 1 6 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.201 -1.318 18098 3048 1 6 . 1 1 35 35 ILE H H 35 6.841 6.841 7.042 -0.201 18098 3049 1 6 . 1 1 36 36 LEU N N 36 128.200 128.200 123.805 4.395 18098 3050 1 6 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.094 -0.154 18098 3051 1 6 . 1 1 36 36 LEU C C 36 177.994 177.994 177.687 0.307 18098 3052 1 6 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.483 0.535 18098 3053 1 6 . 1 1 36 36 LEU CB C 36 41.883 41.883 41.679 0.204 18098 3054 1 6 . 1 1 36 36 LEU H H 36 8.518 8.518 8.477 0.041 18098 3055 1 6 . 1 1 37 37 GLU N N 37 118.515 118.515 117.767 0.748 18098 3056 1 6 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.948 -0.408 18098 3057 1 6 . 1 1 37 37 GLU C C 37 179.332 179.332 178.354 0.978 18098 3058 1 6 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.360 2.147 18098 3059 1 6 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.226 -0.491 18098 3060 1 6 . 1 1 37 37 GLU H H 37 9.964 9.964 8.528 1.436 18098 3061 1 6 . 1 1 38 38 THR N N 38 111.283 111.283 113.925 -2.642 18098 3062 1 6 . 1 1 38 38 THR HA H 38 3.867 3.867 4.037 -0.170 18098 3063 1 6 . 1 1 38 38 THR C C 38 175.061 175.061 176.165 -1.104 18098 3064 1 6 . 1 1 38 38 THR CA C 38 65.735 65.735 66.102 -0.367 18098 3065 1 6 . 1 1 38 38 THR CB C 38 67.623 67.623 67.900 -0.277 18098 3066 1 6 . 1 1 38 38 THR H H 38 6.425 6.425 7.789 -1.364 18098 3067 1 6 . 1 1 39 39 ASP N N 39 124.325 124.325 123.544 0.781 18098 3068 1 6 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.583 -0.070 18098 3069 1 6 . 1 1 39 39 ASP C C 39 179.225 179.225 178.631 0.594 18098 3070 1 6 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.239 -0.141 18098 3071 1 6 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.831 1.052 18098 3072 1 6 . 1 1 39 39 ASP H H 39 7.997 7.997 7.510 0.487 18098 3073 1 6 . 1 1 40 40 LEU N N 40 118.757 118.757 119.518 -0.761 18098 3074 1 6 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.120 -0.109 18098 3075 1 6 . 1 1 40 40 LEU C C 40 180.528 180.528 178.899 1.629 18098 3076 1 6 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.335 0.757 18098 3077 1 6 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.903 -0.105 18098 3078 1 6 . 1 1 40 40 LEU H H 40 8.623 8.623 8.116 0.507 18098 3079 1 6 . 1 1 41 41 LEU N N 41 119.923 119.923 120.389 -0.466 18098 3080 1 6 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.401 -0.008 18098 3081 1 6 . 1 1 41 41 LEU C C 41 177.631 177.631 178.607 -0.976 18098 3082 1 6 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.076 0.281 18098 3083 1 6 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.101 1.238 18098 3084 1 6 . 1 1 41 41 LEU H H 41 7.382 7.382 7.481 -0.099 18098 3085 1 6 . 1 1 42 42 LEU N N 42 115.623 115.623 118.109 -2.486 18098 3086 1 6 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.050 0.223 18098 3087 1 6 . 1 1 42 42 LEU C C 42 179.489 179.489 179.413 0.076 18098 3088 1 6 . 1 1 42 42 LEU CA C 42 57.569 57.569 58.208 -0.639 18098 3089 1 6 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.761 -1.277 18098 3090 1 6 . 1 1 42 42 LEU H H 42 8.963 8.963 8.297 0.666 18098 3091 1 6 . 1 1 43 43 SER N N 43 115.349 115.349 114.134 1.215 18098 3092 1 6 . 1 1 43 43 SER HA H 43 4.039 4.039 4.320 -0.281 18098 3093 1 6 . 1 1 43 43 SER C C 43 178.200 178.200 177.081 1.119 18098 3094 1 6 . 1 1 43 43 SER CA C 43 62.665 62.665 61.014 1.651 18098 3095 1 6 . 1 1 43 43 SER CB C 43 62.476 62.476 62.766 -0.290 18098 3096 1 6 . 1 1 43 43 SER H H 43 8.535 8.535 8.389 0.146 18098 3097 1 6 . 1 1 44 44 GLY N N 44 110.034 110.034 109.936 0.098 18098 3098 1 6 . 1 1 44 44 GLY C C 44 175.624 175.624 175.820 -0.196 18098 3099 1 6 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.815 0.329 18098 3100 1 6 . 1 1 44 44 GLY H H 44 7.812 7.812 7.784 0.028 18098 3101 1 6 . 1 1 45 45 PHE N N 45 125.487 125.487 122.387 3.100 18098 3102 1 6 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.392 -0.454 18098 3103 1 6 . 1 1 45 45 PHE C C 45 177.482 177.482 176.494 0.988 18098 3104 1 6 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.497 0.748 18098 3105 1 6 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.666 1.253 18098 3106 1 6 . 1 1 45 45 PHE H H 45 8.542 8.542 7.612 0.930 18098 3107 1 6 . 1 1 46 46 ALA N N 46 121.034 121.034 121.292 -0.258 18098 3108 1 6 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.880 -0.148 18098 3109 1 6 . 1 1 46 46 ALA C C 46 179.916 179.916 178.663 1.253 18098 3110 1 6 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.489 0.219 18098 3111 1 6 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.165 -0.068 18098 3112 1 6 . 1 1 46 46 ALA H H 46 9.262 9.262 8.076 1.186 18098 3113 1 6 . 1 1 47 47 ALA N N 47 117.642 117.642 120.359 -2.717 18098 3114 1 6 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.124 -0.153 18098 3115 1 6 . 1 1 47 47 ALA C C 47 178.250 178.250 178.799 -0.549 18098 3116 1 6 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.325 0.058 18098 3117 1 6 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.846 -0.645 18098 3118 1 6 . 1 1 47 47 ALA H H 47 7.481 7.481 7.758 -0.277 18098 3119 1 6 . 1 1 48 48 LYS N N 48 115.388 115.388 118.072 -2.684 18098 3120 1 6 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.115 -0.015 18098 3121 1 6 . 1 1 48 48 LYS C C 48 177.845 177.845 178.296 -0.451 18098 3122 1 6 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.329 -0.569 18098 3123 1 6 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.276 0.510 18098 3124 1 6 . 1 1 48 48 LYS H H 48 7.056 7.056 7.510 -0.454 18098 3125 1 6 . 1 1 49 49 TYR N N 49 112.714 112.714 116.443 -3.729 18098 3126 1 6 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.112 0.184 18098 3127 1 6 . 1 1 49 49 TYR C C 49 178.272 178.272 178.004 0.268 18098 3128 1 6 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.446 -0.323 18098 3129 1 6 . 1 1 49 49 TYR CB C 49 40.260 40.260 37.989 2.272 18098 3130 1 6 . 1 1 49 49 TYR H H 49 7.941 7.941 7.814 0.127 18098 3131 1 6 . 1 1 50 50 LEU N N 50 120.890 120.890 119.290 1.600 18098 3132 1 6 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.987 -0.012 18098 3133 1 6 . 1 1 50 50 LEU C C 50 180.108 180.108 178.329 1.779 18098 3134 1 6 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.392 2.317 18098 3135 1 6 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.407 -0.570 18098 3136 1 6 . 1 1 50 50 LEU H H 50 7.945 7.945 8.059 -0.114 18098 3137 1 6 . 1 1 51 51 LYS N N 51 115.335 115.335 118.299 -2.964 18098 3138 1 6 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.002 -0.144 18098 3139 1 6 . 1 1 51 51 LYS C C 51 176.051 176.051 177.523 -1.472 18098 3140 1 6 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.274 0.531 18098 3141 1 6 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.281 -0.774 18098 3142 1 6 . 1 1 51 51 LYS H H 51 8.463 8.463 8.210 0.253 18098 3143 1 6 . 1 1 52 52 LYS N N 52 115.175 115.175 115.836 -0.661 18098 3144 1 6 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.382 0.028 18098 3145 1 6 . 1 1 52 52 LYS C C 52 176.777 176.777 176.353 0.424 18098 3146 1 6 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.930 -0.845 18098 3147 1 6 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.878 -0.762 18098 3148 1 6 . 1 1 52 52 LYS H H 52 7.232 7.232 7.563 -0.331 18098 3149 1 6 . 1 1 53 53 MET N N 53 120.127 120.127 121.654 -1.527 18098 3150 1 6 . 1 1 53 53 MET HA H 53 4.485 4.485 4.344 0.141 18098 3151 1 6 . 1 1 53 53 MET C C 53 176.179 176.179 175.023 1.156 18098 3152 1 6 . 1 1 53 53 MET CA C 53 57.091 57.091 56.221 0.870 18098 3153 1 6 . 1 1 53 53 MET CB C 53 34.125 34.125 33.132 0.993 18098 3154 1 6 . 1 1 53 53 MET H H 53 7.175 7.175 7.398 -0.223 18098 3155 1 6 . 1 1 54 54 ASN N N 54 120.819 120.819 123.604 -2.785 18098 3156 1 6 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.840 -0.075 18098 3157 1 6 . 1 1 54 54 ASN C C 54 175.154 175.154 176.092 -0.938 18098 3158 1 6 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.131 -1.190 18098 3159 1 6 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.257 -0.722 18098 3160 1 6 . 1 1 54 54 ASN H H 54 9.045 9.045 8.299 0.746 18098 3161 1 6 . 1 1 55 55 GLU N N 55 116.971 116.971 121.314 -4.343 18098 3162 1 6 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.951 -0.127 18098 3163 1 6 . 1 1 55 55 GLU C C 55 178.122 178.122 178.294 -0.172 18098 3164 1 6 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.738 0.514 18098 3165 1 6 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.362 0.307 18098 3166 1 6 . 1 1 55 55 GLU H H 55 8.891 8.891 8.934 -0.043 18098 3167 1 6 . 1 1 56 56 GLU N N 56 119.652 119.652 117.419 2.233 18098 3168 1 6 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.225 -0.088 18098 3169 1 6 . 1 1 56 56 GLU C C 56 179.937 179.937 178.929 1.008 18098 3170 1 6 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.147 0.669 18098 3171 1 6 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.010 0.072 18098 3172 1 6 . 1 1 56 56 GLU H H 56 8.366 8.366 8.829 -0.463 18098 3173 1 6 . 1 1 57 57 GLU N N 57 122.119 122.119 119.194 2.925 18098 3174 1 6 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.288 -0.023 18098 3175 1 6 . 1 1 57 57 GLU C C 57 179.332 179.332 178.898 0.434 18098 3176 1 6 . 1 1 57 57 GLU CA C 57 59.159 59.159 57.850 1.308 18098 3177 1 6 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.455 -0.155 18098 3178 1 6 . 1 1 57 57 GLU H H 57 8.491 8.491 7.676 0.815 18098 3179 1 6 . 1 1 58 58 LEU N N 58 119.424 119.424 120.622 -1.198 18098 3180 1 6 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.194 -0.058 18098 3181 1 6 . 1 1 58 58 LEU C C 58 179.218 179.218 179.377 -0.159 18098 3182 1 6 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.061 -0.376 18098 3183 1 6 . 1 1 58 58 LEU CB C 58 41.850 41.850 42.064 -0.214 18098 3184 1 6 . 1 1 58 58 LEU H H 58 8.693 8.693 8.412 0.281 18098 3185 1 6 . 1 1 59 59 GLU N N 59 118.813 118.813 117.954 0.859 18098 3186 1 6 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.031 0.269 18098 3187 1 6 . 1 1 59 59 GLU C C 59 179.361 179.361 179.095 0.266 18098 3188 1 6 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.273 -0.234 18098 3189 1 6 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.934 0.171 18098 3190 1 6 . 1 1 59 59 GLU H H 59 8.009 8.009 8.355 -0.346 18098 3191 1 6 . 1 1 60 60 GLU N N 60 121.472 121.472 121.165 0.307 18098 3192 1 6 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.147 0.109 18098 3193 1 6 . 1 1 60 60 GLU C C 60 178.451 178.451 178.491 -0.040 18098 3194 1 6 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.828 0.821 18098 3195 1 6 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.533 0.231 18098 3196 1 6 . 1 1 60 60 GLU H H 60 7.867 7.867 7.754 0.113 18098 3197 1 6 . 1 1 61 61 TYR N N 61 121.955 121.955 120.011 1.944 18098 3198 1 6 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.211 -0.077 18098 3199 1 6 . 1 1 61 61 TYR C C 61 176.278 176.278 177.606 -1.328 18098 3200 1 6 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.019 1.152 18098 3201 1 6 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.635 -0.445 18098 3202 1 6 . 1 1 61 61 TYR H H 61 8.675 8.675 8.039 0.636 18098 3203 1 6 . 1 1 62 62 ASP N N 62 118.314 118.314 118.967 -0.653 18098 3204 1 6 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.162 0.101 18098 3205 1 6 . 1 1 62 62 ASP C C 62 178.464 178.464 178.510 -0.046 18098 3206 1 6 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.731 -0.986 18098 3207 1 6 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.739 0.806 18098 3208 1 6 . 1 1 62 62 ASP H H 62 8.481 8.481 8.356 0.125 18098 3209 1 6 . 1 1 63 63 SER N N 63 111.380 111.380 115.430 -4.050 18098 3210 1 6 . 1 1 63 63 SER HA H 63 4.361 4.361 4.182 0.179 18098 3211 1 6 . 1 1 63 63 SER C C 63 178.763 178.763 176.342 2.421 18098 3212 1 6 . 1 1 63 63 SER CA C 63 61.824 61.824 61.865 -0.041 18098 3213 1 6 . 1 1 63 63 SER CB C 63 62.830 62.830 63.420 -0.590 18098 3214 1 6 . 1 1 63 63 SER H H 63 7.779 7.779 7.638 0.141 18098 3215 1 6 . 1 1 64 64 LEU N N 64 127.444 127.444 121.511 5.933 18098 3216 1 6 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.184 -0.128 18098 3217 1 6 . 1 1 64 64 LEU C C 64 177.688 177.688 178.456 -0.768 18098 3218 1 6 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.492 0.559 18098 3219 1 6 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.854 -1.679 18098 3220 1 6 . 1 1 64 64 LEU H H 64 8.616 8.616 7.476 1.140 18098 3221 1 6 . 1 1 65 65 LEU N N 65 114.503 114.503 119.148 -4.645 18098 3222 1 6 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.824 -0.056 18098 3223 1 6 . 1 1 65 65 LEU C C 65 178.506 178.506 178.485 0.021 18098 3224 1 6 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.471 -1.106 18098 3225 1 6 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.941 -0.478 18098 3226 1 6 . 1 1 65 65 LEU H H 65 7.700 7.700 7.582 0.118 18098 3227 1 6 . 1 1 66 66 ASN N N 66 116.208 116.208 115.690 0.518 18098 3228 1 6 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.688 0.051 18098 3229 1 6 . 1 1 66 66 ASN C C 66 176.008 176.008 175.178 0.830 18098 3230 1 6 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.089 -0.202 18098 3231 1 6 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.882 0.377 18098 3232 1 6 . 1 1 66 66 ASN H H 66 7.533 7.533 7.754 -0.221 18098 3233 1 6 . 1 1 67 67 GLU N N 67 120.300 120.300 120.532 -0.232 18098 3234 1 6 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.511 -0.022 18098 3235 1 6 . 1 1 67 67 GLU C C 67 175.410 175.410 175.801 -0.391 18098 3236 1 6 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.206 -0.240 18098 3237 1 6 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.790 -2.370 18098 3238 1 6 . 1 1 67 67 GLU H H 67 7.948 7.948 7.551 0.397 18098 3239 1 6 . 1 1 68 68 LEU N N 68 120.037 120.037 122.090 -2.053 18098 3240 1 6 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.322 -0.192 18098 3241 1 6 . 1 1 68 68 LEU C C 68 178.720 178.720 177.993 0.727 18098 3242 1 6 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.375 0.331 18098 3243 1 6 . 1 1 68 68 LEU CB C 68 41.508 41.508 41.695 -0.187 18098 3244 1 6 . 1 1 68 68 LEU H H 68 9.451 9.451 8.486 0.965 18098 3245 1 6 . 1 1 69 69 ASP N N 69 120.774 120.774 126.321 -5.547 18098 3246 1 6 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.113 0.064 18098 3247 1 6 . 1 1 69 69 ASP C C 69 179.446 179.446 178.264 1.182 18098 3248 1 6 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.888 -0.251 18098 3249 1 6 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.321 0.533 18098 3250 1 6 . 1 1 69 69 ASP H H 69 8.445 8.445 8.776 -0.331 18098 3251 1 6 . 1 1 70 70 TRP N N 70 117.865 117.865 118.502 -0.637 18098 3252 1 6 . 1 1 70 70 TRP HA H 70 4.118 4.118 3.983 0.135 18098 3253 1 6 . 1 1 70 70 TRP C C 70 176.983 176.983 177.883 -0.900 18098 3254 1 6 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.841 0.262 18098 3255 1 6 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.030 -0.639 18098 3256 1 6 . 1 1 70 70 TRP H H 70 8.809 8.809 7.986 0.823 18098 3257 1 6 . 1 1 71 71 ASP N N 71 116.993 116.993 119.926 -2.933 18098 3258 1 6 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.038 -0.176 18098 3259 1 6 . 1 1 71 71 ASP C C 71 175.218 175.218 177.723 -2.505 18098 3260 1 6 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.581 -0.128 18098 3261 1 6 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.725 -1.002 18098 3262 1 6 . 1 1 71 71 ASP H H 71 6.134 6.134 7.520 -1.386 18098 3263 1 6 . 1 1 72 72 ILE N N 72 115.361 115.361 120.235 -4.874 18098 3264 1 6 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.379 -0.507 18098 3265 1 6 . 1 1 72 72 ILE C C 72 177.097 177.097 177.670 -0.573 18098 3266 1 6 . 1 1 72 72 ILE CA C 72 66.119 66.119 65.100 1.019 18098 3267 1 6 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.704 0.575 18098 3268 1 6 . 1 1 72 72 ILE H H 72 7.302 7.302 7.737 -0.435 18098 3269 1 6 . 1 1 73 73 TYR N N 73 116.121 116.121 120.114 -3.993 18098 3270 1 6 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.975 -0.234 18098 3271 1 6 . 1 1 73 73 TYR C C 73 178.827 178.827 177.684 1.143 18098 3272 1 6 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.764 0.386 18098 3273 1 6 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.465 -0.293 18098 3274 1 6 . 1 1 73 73 TYR H H 73 7.327 7.327 7.752 -0.425 18098 3275 1 6 . 1 1 74 74 TYR N N 74 121.029 121.029 119.343 1.686 18098 3276 1 6 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.251 0.025 18098 3277 1 6 . 1 1 74 74 TYR C C 74 178.165 178.165 178.378 -0.213 18098 3278 1 6 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.992 0.285 18098 3279 1 6 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.689 -1.905 18098 3280 1 6 . 1 1 74 74 TYR H H 74 8.922 8.922 7.955 0.967 18098 3281 1 6 . 1 1 75 75 TRP N N 75 121.118 121.118 118.597 2.521 18098 3282 1 6 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.397 0.358 18098 3283 1 6 . 1 1 75 75 TRP C C 75 180.599 180.599 178.801 1.798 18098 3284 1 6 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.390 -1.620 18098 3285 1 6 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.822 0.589 18098 3286 1 6 . 1 1 75 75 TRP H H 75 9.201 9.201 8.144 1.057 18098 3287 1 6 . 1 1 76 76 ALA N N 76 122.129 122.129 120.172 1.957 18098 3288 1 6 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.255 -0.299 18098 3289 1 6 . 1 1 76 76 ALA C C 76 177.546 177.546 178.394 -0.848 18098 3290 1 6 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.167 1.033 18098 3291 1 6 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.987 0.238 18098 3292 1 6 . 1 1 76 76 ALA H H 76 8.761 8.761 7.620 1.141 18098 3293 1 6 . 1 1 77 77 THR N N 77 102.584 102.584 106.928 -4.344 18098 3294 1 6 . 1 1 77 77 THR HA H 77 4.192 4.192 4.245 -0.053 18098 3295 1 6 . 1 1 77 77 THR C C 77 173.425 173.425 174.498 -1.073 18098 3296 1 6 . 1 1 77 77 THR CA C 77 60.767 60.767 60.252 0.515 18098 3297 1 6 . 1 1 77 77 THR CB C 77 69.573 69.573 68.728 0.845 18098 3298 1 6 . 1 1 77 77 THR H H 77 7.411 7.411 7.491 -0.080 18098 3299 1 6 . 1 1 78 78 LYS N N 78 116.069 116.069 121.255 -5.186 18098 3300 1 6 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.583 -0.753 18098 3301 1 6 . 1 1 78 78 LYS C C 78 174.514 174.514 174.311 0.203 18098 3302 1 6 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.219 0.023 18098 3303 1 6 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.943 -2.610 18098 3304 1 6 . 1 1 78 78 LYS H H 78 7.420 7.420 7.546 -0.126 18098 3305 1 6 . 1 1 79 79 ASN N N 79 120.318 120.318 119.007 1.311 18098 3306 1 6 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.676 0.121 18098 3307 1 6 . 1 1 79 79 ASN C C 79 175.581 175.581 173.689 1.892 18098 3308 1 6 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.480 -1.885 18098 3309 1 6 . 1 1 79 79 ASN CB C 79 36.999 36.999 39.328 -2.329 18098 3310 1 6 . 1 1 79 79 ASN H H 79 8.828 8.828 7.583 1.245 18098 3311 1 6 . 1 1 80 80 PHE N N 80 120.545 120.545 122.613 -2.068 18098 3312 1 6 . 1 1 80 80 PHE HA H 80 4.869 4.869 5.146 -0.277 18098 3313 1 6 . 1 1 80 80 PHE C C 80 177.311 177.311 176.672 0.639 18098 3314 1 6 . 1 1 80 80 PHE CA C 80 56.745 56.745 57.005 -0.260 18098 3315 1 6 . 1 1 80 80 PHE CB C 80 38.211 38.211 39.564 -1.353 18098 3316 1 6 . 1 1 80 80 PHE H H 80 7.581 7.581 8.504 -0.923 18098 3317 1 6 . 1 1 81 81 LYS N N 81 118.568 118.568 121.164 -2.596 18098 3318 1 6 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.201 -0.140 18098 3319 1 6 . 1 1 81 81 LYS C C 81 177.845 177.845 177.896 -0.051 18098 3320 1 6 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.984 -0.476 18098 3321 1 6 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.572 -0.481 18098 3322 1 6 . 1 1 81 81 LYS H H 81 7.999 7.999 7.919 0.080 18098 3323 1 6 . 1 1 82 82 THR N N 82 111.828 111.828 111.370 0.458 18098 3324 1 6 . 1 1 82 82 THR HA H 82 4.098 4.098 4.256 -0.158 18098 3325 1 6 . 1 1 82 82 THR C C 82 174.556 174.556 174.713 -0.157 18098 3326 1 6 . 1 1 82 82 THR CA C 82 63.796 63.796 62.775 1.021 18098 3327 1 6 . 1 1 82 82 THR CB C 82 68.509 68.509 69.463 -0.954 18098 3328 1 6 . 1 1 82 82 THR H H 82 7.419 7.419 7.721 -0.302 18098 3329 1 6 . 1 1 83 83 SER N N 83 115.546 115.546 118.187 -2.641 18098 3330 1 6 . 1 1 83 83 SER HA H 83 5.000 5.000 5.119 -0.119 18098 3331 1 6 . 1 1 83 83 SER C C 83 170.371 170.371 172.627 -2.256 18098 3332 1 6 . 1 1 83 83 SER CA C 83 54.673 54.673 56.549 -1.876 18098 3333 1 6 . 1 1 83 83 SER CB C 83 63.763 63.763 64.710 -0.947 18098 3334 1 6 . 1 1 83 83 SER H H 83 7.312 7.312 7.886 -0.574 18098 3335 1 6 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.786 -0.231 18098 3336 1 6 . 1 1 84 84 PRO C C 84 176.855 176.855 176.361 0.494 18098 3337 1 6 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.808 -0.268 18098 3338 1 6 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.437 -0.354 18098 3339 1 6 . 1 1 85 85 LEU N N 85 125.147 125.147 122.802 2.345 18098 3340 1 6 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.215 -0.402 18098 3341 1 6 . 1 1 85 85 LEU C C 85 175.168 175.168 175.170 -0.002 18098 3342 1 6 . 1 1 85 85 LEU CA C 85 52.337 52.337 51.839 0.498 18098 3343 1 6 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.373 0.987 18098 3344 1 6 . 1 1 85 85 LEU H H 85 8.171 8.171 8.352 -0.181 18098 3345 1 6 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.540 -0.032 18098 3346 1 6 . 1 1 86 86 PRO C C 86 177.111 177.111 177.296 -0.185 18098 3347 1 6 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.356 -0.095 18098 3348 1 6 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.749 0.026 18098 3349 1 6 . 1 1 87 87 ASP N N 87 123.224 123.224 121.223 2.001 18098 3350 1 6 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.152 0.003 18098 3351 1 6 . 1 1 87 87 ASP C C 87 178.392 178.392 177.744 0.648 18098 3352 1 6 . 1 1 87 87 ASP CA C 87 57.499 57.499 58.004 -0.505 18098 3353 1 6 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.565 -0.445 18098 3354 1 6 . 1 1 87 87 ASP H H 87 8.649 8.649 8.730 -0.081 18098 3355 1 6 . 1 1 88 88 LYS N N 88 115.960 115.960 116.791 -0.831 18098 3356 1 6 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.877 -0.046 18098 3357 1 6 . 1 1 88 88 LYS C C 88 176.585 176.585 176.736 -0.151 18098 3358 1 6 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.255 0.004 18098 3359 1 6 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.422 0.312 18098 3360 1 6 . 1 1 88 88 LYS H H 88 8.344 8.344 8.217 0.127 18098 3361 1 6 . 1 1 89 89 TRP N N 89 116.821 116.821 118.123 -1.302 18098 3362 1 6 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.592 0.222 18098 3363 1 6 . 1 1 89 89 TRP C C 89 176.329 176.329 178.687 -2.358 18098 3364 1 6 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.972 -0.825 18098 3365 1 6 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.385 1.117 18098 3366 1 6 . 1 1 89 89 TRP H H 89 7.145 7.145 7.164 -0.019 18098 3367 1 6 . 1 1 90 90 ALA N N 90 122.680 122.680 123.690 -1.010 18098 3368 1 6 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.943 -0.077 18098 3369 1 6 . 1 1 90 90 ALA C C 90 177.965 177.965 177.854 0.111 18098 3370 1 6 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.782 -0.071 18098 3371 1 6 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.341 0.038 18098 3372 1 6 . 1 1 90 90 ALA H H 90 7.456 7.456 7.955 -0.499 18098 3373 1 6 . 1 1 91 91 ASN N N 91 114.054 114.054 112.725 1.329 18098 3374 1 6 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.791 0.024 18098 3375 1 6 . 1 1 91 91 ASN C C 91 174.727 174.727 174.786 -0.059 18098 3376 1 6 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.590 -0.201 18098 3377 1 6 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.374 -0.667 18098 3378 1 6 . 1 1 91 91 ASN H H 91 8.318 8.318 7.740 0.578 18098 3379 1 6 . 1 1 92 92 SER N N 92 113.359 113.359 116.701 -3.342 18098 3380 1 6 . 1 1 92 92 SER HA H 92 4.649 4.649 4.536 0.113 18098 3381 1 6 . 1 1 92 92 SER C C 92 177.033 177.033 175.396 1.637 18098 3382 1 6 . 1 1 92 92 SER CA C 92 57.599 57.599 57.975 -0.376 18098 3383 1 6 . 1 1 92 92 SER CB C 92 64.454 64.454 64.186 0.268 18098 3384 1 6 . 1 1 92 92 SER H H 92 7.255 7.255 7.576 -0.321 18098 3385 1 6 . 1 1 93 93 LYS N N 93 133.672 133.672 129.807 3.865 18098 3386 1 6 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.134 -0.004 18098 3387 1 6 . 1 1 93 93 LYS C C 93 178.763 178.763 178.105 0.658 18098 3388 1 6 . 1 1 93 93 LYS CA C 93 59.129 59.129 58.922 0.207 18098 3389 1 6 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.324 -0.241 18098 3390 1 6 . 1 1 93 93 LYS H H 93 9.608 9.608 9.020 0.588 18098 3391 1 6 . 1 1 94 94 LEU N N 94 122.086 122.086 119.620 2.466 18098 3392 1 6 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.241 0.110 18098 3393 1 6 . 1 1 94 94 LEU C C 94 178.663 178.663 178.133 0.530 18098 3394 1 6 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.371 -1.135 18098 3395 1 6 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.918 -0.757 18098 3396 1 6 . 1 1 94 94 LEU H H 94 8.000 8.000 7.804 0.196 18098 3397 1 6 . 1 1 95 95 LEU N N 95 118.720 118.720 118.634 0.086 18098 3398 1 6 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.860 0.066 18098 3399 1 6 . 1 1 95 95 LEU C C 95 178.530 178.530 178.388 0.142 18098 3400 1 6 . 1 1 95 95 LEU CA C 95 57.381 57.381 57.961 -0.579 18098 3401 1 6 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.720 -0.796 18098 3402 1 6 . 1 1 95 95 LEU H H 95 7.997 7.997 7.603 0.394 18098 3403 1 6 . 1 1 96 96 LYS N N 96 117.880 117.880 119.123 -1.243 18098 3404 1 6 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.914 0.342 18098 3405 1 6 . 1 1 96 96 LYS C C 96 179.147 179.147 179.306 -0.159 18098 3406 1 6 . 1 1 96 96 LYS CA C 96 59.462 59.462 60.252 -0.790 18098 3407 1 6 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.095 -0.175 18098 3408 1 6 . 1 1 96 96 LYS H H 96 7.341 7.341 7.594 -0.253 18098 3409 1 6 . 1 1 97 97 GLN N N 97 119.660 119.660 117.982 1.678 18098 3410 1 6 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.393 -0.199 18098 3411 1 6 . 1 1 97 97 GLN C C 97 179.040 179.040 179.076 -0.036 18098 3412 1 6 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.455 0.627 18098 3413 1 6 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.632 0.415 18098 3414 1 6 . 1 1 97 97 GLN H H 97 8.007 8.007 8.101 -0.094 18098 3415 1 6 . 1 1 98 98 LEU N N 98 122.983 122.983 122.261 0.722 18098 3416 1 6 . 1 1 98 98 LEU HA H 98 3.851 3.851 4.087 -0.236 18098 3417 1 6 . 1 1 98 98 LEU C C 98 178.841 178.841 178.734 0.107 18098 3418 1 6 . 1 1 98 98 LEU CA C 98 58.081 58.081 58.033 0.048 18098 3419 1 6 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.589 0.307 18098 3420 1 6 . 1 1 98 98 LEU H H 98 8.425 8.425 8.319 0.106 18098 3421 1 6 . 1 1 99 99 GLN N N 99 119.099 119.099 118.410 0.689 18098 3422 1 6 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.004 0.636 18098 3423 1 6 . 1 1 99 99 GLN C C 99 179.660 179.660 178.905 0.755 18098 3424 1 6 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.170 -1.354 18098 3425 1 6 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.682 -1.265 18098 3426 1 6 . 1 1 99 99 GLN H H 99 8.594 8.594 8.264 0.330 18098 3427 1 6 . 1 1 100 100 GLU N N 100 120.803 120.803 120.009 0.794 18098 3428 1 6 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.125 -0.014 18098 3429 1 6 . 1 1 100 100 GLU C C 100 178.870 178.870 179.112 -0.242 18098 3430 1 6 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.145 0.304 18098 3431 1 6 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.659 -0.279 18098 3432 1 6 . 1 1 100 100 GLU H H 100 8.353 8.353 8.160 0.193 18098 3433 1 6 . 1 1 101 101 PHE N N 101 120.752 120.752 120.030 0.722 18098 3434 1 6 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.458 0.015 18098 3435 1 6 . 1 1 101 101 PHE C C 101 177.289 177.289 176.308 0.981 18098 3436 1 6 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.314 0.803 18098 3437 1 6 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.528 0.175 18098 3438 1 6 . 1 1 101 101 PHE H H 101 8.544 8.544 8.172 0.372 18098 3439 1 6 . 1 1 102 102 SER N N 102 112.889 112.889 113.545 -0.656 18098 3440 1 6 . 1 1 102 102 SER HA H 102 3.821 3.821 4.136 -0.315 18098 3441 1 6 . 1 1 102 102 SER C C 102 176.414 176.414 176.301 0.113 18098 3442 1 6 . 1 1 102 102 SER CA C 102 61.123 61.123 60.970 0.153 18098 3443 1 6 . 1 1 102 102 SER CB C 102 63.193 63.193 63.202 -0.009 18098 3444 1 6 . 1 1 102 102 SER H H 102 8.314 8.314 8.021 0.293 18098 3445 1 6 . 1 1 103 103 GLU N N 103 118.066 118.066 119.800 -1.734 18098 3446 1 6 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.211 -0.097 18098 3447 1 6 . 1 1 103 103 GLU C C 103 177.375 177.375 177.233 0.142 18098 3448 1 6 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.142 -0.342 18098 3449 1 6 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.768 0.258 18098 3450 1 6 . 1 1 103 103 GLU H H 103 7.809 7.809 7.799 0.010 18098 3451 1 6 . 1 1 104 104 ASN N N 104 117.241 117.241 116.493 0.748 18098 3452 1 6 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.833 -0.186 18098 3453 1 6 . 1 1 104 104 ASN C C 104 175.752 175.752 174.111 1.641 18098 3454 1 6 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.727 1.012 18098 3455 1 6 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.187 -0.565 18098 3456 1 6 . 1 1 104 104 ASN H H 104 7.917 7.917 7.663 0.254 18098 3457 1 6 . 1 1 105 105 LYS N N 105 121.903 121.903 119.293 2.610 18098 3458 1 6 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.155 0.913 18098 3459 1 6 . 1 1 105 105 LYS C C 105 177.311 177.311 177.027 0.284 18098 3460 1 6 . 1 1 105 105 LYS CA C 105 57.374 57.374 59.825 -2.451 18098 3461 1 6 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.515 -0.478 18098 3462 1 6 . 1 1 105 105 LYS H H 105 8.093 8.093 7.570 0.523 18098 3463 1 6 . 1 1 106 106 GLU N N 106 119.595 119.595 115.563 4.032 18098 3464 1 6 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.441 -0.172 18098 3465 1 6 . 1 1 106 106 GLU C C 106 176.585 176.585 176.357 0.228 18098 3466 1 6 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.665 0.026 18098 3467 1 6 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.857 -0.157 18098 3468 1 6 . 1 1 106 106 GLU H H 106 8.200 8.200 8.334 -0.134 18098 3469 1 6 . 1 1 107 107 LYS N N 107 120.538 120.538 117.348 3.190 18098 3470 1 6 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.413 -0.146 18098 3471 1 6 . 1 1 107 107 LYS C C 107 176.435 176.435 176.032 0.403 18098 3472 1 6 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.972 0.480 18098 3473 1 6 . 1 1 107 107 LYS CB C 107 33.110 33.110 33.000 0.110 18098 3474 1 6 . 1 1 107 107 LYS H H 107 7.838 7.838 8.054 -0.216 18098 3475 1 6 . 1 1 108 108 GLU N N 108 122.869 122.869 120.775 2.094 18098 3476 1 6 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.264 0.053 18098 3477 1 6 . 1 1 108 108 GLU C C 108 175.403 175.403 175.993 -0.590 18098 3478 1 6 . 1 1 108 108 GLU CA C 108 56.565 56.565 56.736 -0.171 18098 3479 1 6 . 1 1 108 108 GLU CB C 108 30.057 30.057 29.875 0.182 18098 3480 1 6 . 1 1 108 108 GLU H H 108 8.313 8.313 7.998 0.315 18098 3481 1 7 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.627 0.015 18098 3482 1 7 . 1 1 10 10 HIS C C 10 174.891 174.891 174.934 -0.043 18098 3483 1 7 . 1 1 10 10 HIS CA C 10 56.030 56.030 57.141 -1.111 18098 3484 1 7 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.276 -0.163 18098 3485 1 7 . 1 1 11 11 MET N N 11 121.211 121.211 117.395 3.816 18098 3486 1 7 . 1 1 11 11 MET HA H 11 4.417 4.417 4.225 0.192 18098 3487 1 7 . 1 1 11 11 MET C C 11 175.709 175.709 175.113 0.596 18098 3488 1 7 . 1 1 11 11 MET CA C 11 55.405 55.405 55.887 -0.482 18098 3489 1 7 . 1 1 11 11 MET CB C 11 32.776 32.776 32.255 0.521 18098 3490 1 7 . 1 1 11 11 MET H H 11 8.179 8.179 8.018 0.161 18098 3491 1 7 . 1 1 12 12 ILE N N 12 122.511 122.511 121.259 1.252 18098 3492 1 7 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.377 -0.254 18098 3493 1 7 . 1 1 12 12 ILE C C 12 175.809 175.809 175.839 -0.030 18098 3494 1 7 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.330 0.472 18098 3495 1 7 . 1 1 12 12 ILE CB C 12 38.531 38.531 39.901 -1.370 18098 3496 1 7 . 1 1 12 12 ILE H H 12 8.088 8.088 8.259 -0.171 18098 3497 1 7 . 1 1 13 13 LYS N N 13 126.072 126.072 126.015 0.057 18098 3498 1 7 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.258 0.070 18098 3499 1 7 . 1 1 13 13 LYS C C 13 176.108 176.108 176.343 -0.235 18098 3500 1 7 . 1 1 13 13 LYS CA C 13 56.053 56.053 57.056 -1.003 18098 3501 1 7 . 1 1 13 13 LYS CB C 13 32.915 32.915 31.818 1.097 18098 3502 1 7 . 1 1 13 13 LYS H H 13 8.381 8.381 8.656 -0.275 18098 3503 1 7 . 1 1 14 14 ARG N N 14 123.714 123.714 122.949 0.765 18098 3504 1 7 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.404 0.040 18098 3505 1 7 . 1 1 14 14 ARG C C 14 176.428 176.428 176.416 0.012 18098 3506 1 7 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.782 -0.041 18098 3507 1 7 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.841 -0.060 18098 3508 1 7 . 1 1 14 14 ARG H H 14 8.484 8.484 8.367 0.117 18098 3509 1 7 . 1 1 15 15 THR N N 15 115.338 115.338 118.022 -2.684 18098 3510 1 7 . 1 1 15 15 THR HA H 15 4.367 4.367 4.309 0.058 18098 3511 1 7 . 1 1 15 15 THR C C 15 174.172 174.172 174.462 -0.290 18098 3512 1 7 . 1 1 15 15 THR CA C 15 61.501 61.501 63.405 -1.904 18098 3513 1 7 . 1 1 15 15 THR CB C 15 69.868 69.868 68.260 1.608 18098 3514 1 7 . 1 1 15 15 THR H H 15 8.279 8.279 8.022 0.257 18098 3515 1 7 . 1 1 16 16 ASN N N 16 120.727 120.727 126.137 -5.410 18098 3516 1 7 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.858 -0.180 18098 3517 1 7 . 1 1 16 16 ASN C C 16 174.482 174.482 173.276 1.206 18098 3518 1 7 . 1 1 16 16 ASN CA C 16 53.072 53.072 52.040 1.032 18098 3519 1 7 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.780 -1.399 18098 3520 1 7 . 1 1 16 16 ASN H H 16 8.612 8.612 8.340 0.272 18098 3521 1 7 . 1 1 17 17 GLU N N 17 123.790 123.790 119.997 3.793 18098 3522 1 7 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.656 -0.055 18098 3523 1 7 . 1 1 17 17 GLU C C 17 173.823 173.823 174.758 -0.935 18098 3524 1 7 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.094 -0.130 18098 3525 1 7 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.322 2.441 18098 3526 1 7 . 1 1 17 17 GLU H H 17 8.113 8.113 8.449 -0.336 18098 3527 1 7 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.384 0.131 18098 3528 1 7 . 1 1 18 18 PRO C C 18 177.709 177.709 177.212 0.497 18098 3529 1 7 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.365 0.400 18098 3530 1 7 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.618 -0.137 18098 3531 1 7 . 1 1 19 19 LEU N N 19 123.760 123.760 122.952 0.808 18098 3532 1 7 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.023 -0.017 18098 3533 1 7 . 1 1 19 19 LEU C C 19 178.307 178.307 178.535 -0.228 18098 3534 1 7 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.979 0.484 18098 3535 1 7 . 1 1 19 19 LEU CB C 19 41.798 41.798 40.926 0.872 18098 3536 1 7 . 1 1 19 19 LEU H H 19 8.720 8.720 8.575 0.145 18098 3537 1 7 . 1 1 20 20 ASP N N 20 115.650 115.650 119.137 -3.487 18098 3538 1 7 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.397 -0.036 18098 3539 1 7 . 1 1 20 20 ASP C C 20 179.531 179.531 178.922 0.609 18098 3540 1 7 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.796 -0.709 18098 3541 1 7 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.109 -0.788 18098 3542 1 7 . 1 1 20 20 ASP H H 20 8.829 8.829 8.852 -0.023 18098 3543 1 7 . 1 1 21 21 LYS N N 21 121.462 121.462 119.603 1.859 18098 3544 1 7 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.156 -0.024 18098 3545 1 7 . 1 1 21 21 LYS C C 21 178.421 178.421 178.729 -0.308 18098 3546 1 7 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.582 -0.299 18098 3547 1 7 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.487 -0.507 18098 3548 1 7 . 1 1 21 21 LYS H H 21 7.352 7.352 7.665 -0.313 18098 3549 1 7 . 1 1 22 22 LYS N N 22 123.296 123.296 121.192 2.104 18098 3550 1 7 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.380 -0.390 18098 3551 1 7 . 1 1 22 22 LYS C C 22 178.179 178.179 178.535 -0.356 18098 3552 1 7 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.361 0.493 18098 3553 1 7 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.566 0.221 18098 3554 1 7 . 1 1 22 22 LYS H H 22 8.407 8.407 8.339 0.068 18098 3555 1 7 . 1 1 23 23 ARG N N 23 116.950 116.950 119.594 -2.644 18098 3556 1 7 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.070 -0.336 18098 3557 1 7 . 1 1 23 23 ARG C C 23 177.460 177.460 178.409 -0.949 18098 3558 1 7 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.453 1.052 18098 3559 1 7 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.163 0.103 18098 3560 1 7 . 1 1 23 23 ARG H H 23 8.594 8.594 8.000 0.594 18098 3561 1 7 . 1 1 24 24 ALA N N 24 118.391 118.391 121.390 -2.999 18098 3562 1 7 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.131 -0.087 18098 3563 1 7 . 1 1 24 24 ALA C C 24 180.514 180.514 179.726 0.788 18098 3564 1 7 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.083 -0.014 18098 3565 1 7 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.125 -0.191 18098 3566 1 7 . 1 1 24 24 ALA H H 24 7.505 7.505 7.724 -0.219 18098 3567 1 7 . 1 1 25 25 ARG N N 25 120.413 120.413 119.310 1.103 18098 3568 1 7 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.235 -0.028 18098 3569 1 7 . 1 1 25 25 ARG C C 25 178.058 178.058 178.865 -0.807 18098 3570 1 7 . 1 1 25 25 ARG CA C 25 59.393 59.393 58.705 0.688 18098 3571 1 7 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.177 -0.565 18098 3572 1 7 . 1 1 25 25 ARG H H 25 8.291 8.291 7.838 0.453 18098 3573 1 7 . 1 1 26 26 LEU N N 26 119.205 119.205 119.725 -0.520 18098 3574 1 7 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.214 -0.069 18098 3575 1 7 . 1 1 26 26 LEU C C 26 180.642 180.642 179.229 1.413 18098 3576 1 7 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.836 -0.061 18098 3577 1 7 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.201 -0.501 18098 3578 1 7 . 1 1 26 26 LEU H H 26 8.305 8.305 8.332 -0.027 18098 3579 1 7 . 1 1 27 27 ILE N N 27 123.643 123.643 119.170 4.473 18098 3580 1 7 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.837 -0.236 18098 3581 1 7 . 1 1 27 27 ILE C C 27 177.716 177.716 178.687 -0.971 18098 3582 1 7 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.103 1.049 18098 3583 1 7 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.880 -0.039 18098 3584 1 7 . 1 1 27 27 ILE H H 27 8.488 8.488 7.940 0.548 18098 3585 1 7 . 1 1 28 28 TYR N N 28 121.443 121.443 120.771 0.672 18098 3586 1 7 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.006 0.209 18098 3587 1 7 . 1 1 28 28 TYR C C 28 178.656 178.656 177.413 1.243 18098 3588 1 7 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.862 -0.419 18098 3589 1 7 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.169 -0.335 18098 3590 1 7 . 1 1 28 28 TYR H H 28 7.832 7.832 8.123 -0.291 18098 3591 1 7 . 1 1 29 29 GLN N N 29 115.999 115.999 116.637 -0.638 18098 3592 1 7 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.675 0.186 18098 3593 1 7 . 1 1 29 29 GLN C C 29 178.537 178.537 178.056 0.481 18098 3594 1 7 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.990 0.207 18098 3595 1 7 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.558 0.730 18098 3596 1 7 . 1 1 29 29 GLN H H 29 8.965 8.965 7.982 0.983 18098 3597 1 7 . 1 1 30 30 SER N N 30 115.599 115.599 114.953 0.646 18098 3598 1 7 . 1 1 30 30 SER HA H 30 4.100 4.100 4.311 -0.210 18098 3599 1 7 . 1 1 30 30 SER C C 30 171.004 171.004 176.188 -5.184 18098 3600 1 7 . 1 1 30 30 SER CA C 30 61.818 61.818 60.970 0.848 18098 3601 1 7 . 1 1 30 30 SER CB C 30 63.196 63.196 62.975 0.221 18098 3602 1 7 . 1 1 30 30 SER H H 30 7.643 7.643 7.901 -0.258 18098 3603 1 7 . 1 1 31 31 ARG N N 31 114.000 114.000 120.321 -6.321 18098 3604 1 7 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.298 0.328 18098 3605 1 7 . 1 1 31 31 ARG C C 31 176.556 176.556 176.332 0.224 18098 3606 1 7 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.865 -1.855 18098 3607 1 7 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.852 -0.193 18098 3608 1 7 . 1 1 31 31 ARG H H 31 6.987 6.987 7.438 -0.451 18098 3609 1 7 . 1 1 32 32 LYS N N 32 120.507 120.507 120.509 -0.002 18098 3610 1 7 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.263 0.242 18098 3611 1 7 . 1 1 32 32 LYS C C 32 176.577 176.577 175.194 1.383 18098 3612 1 7 . 1 1 32 32 LYS CA C 32 54.191 54.191 56.130 -1.939 18098 3613 1 7 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.747 -1.677 18098 3614 1 7 . 1 1 32 32 LYS H H 32 7.245 7.245 7.282 -0.037 18098 3615 1 7 . 1 1 33 33 ARG N N 33 119.630 119.630 122.513 -2.883 18098 3616 1 7 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.508 -0.032 18098 3617 1 7 . 1 1 33 33 ARG C C 33 177.289 177.289 175.775 1.514 18098 3618 1 7 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.336 -1.947 18098 3619 1 7 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.393 -5.050 18098 3620 1 7 . 1 1 33 33 ARG H H 33 8.831 8.831 7.825 1.006 18098 3621 1 7 . 1 1 34 34 GLY N N 34 107.776 107.776 108.829 -1.053 18098 3622 1 7 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.696 0.217 18098 3623 1 7 . 1 1 34 34 GLY H H 34 8.652 8.652 8.422 0.230 18098 3624 1 7 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.262 0.084 18098 3625 1 7 . 1 1 35 35 ILE C C 35 175.624 175.624 176.089 -0.465 18098 3626 1 7 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.581 -1.577 18098 3627 1 7 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.157 -1.274 18098 3628 1 7 . 1 1 35 35 ILE H H 35 6.841 6.841 7.124 -0.283 18098 3629 1 7 . 1 1 36 36 LEU N N 36 128.200 128.200 122.924 5.276 18098 3630 1 7 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.337 -0.397 18098 3631 1 7 . 1 1 36 36 LEU C C 36 177.994 177.994 178.632 -0.638 18098 3632 1 7 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.019 0.999 18098 3633 1 7 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.938 0.945 18098 3634 1 7 . 1 1 36 36 LEU H H 36 8.518 8.518 8.576 -0.058 18098 3635 1 7 . 1 1 37 37 GLU N N 37 118.515 118.515 119.062 -0.547 18098 3636 1 7 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.893 -0.353 18098 3637 1 7 . 1 1 37 37 GLU C C 37 179.332 179.332 178.634 0.698 18098 3638 1 7 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.453 2.054 18098 3639 1 7 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.740 -0.005 18098 3640 1 7 . 1 1 37 37 GLU H H 37 9.964 9.964 8.269 1.695 18098 3641 1 7 . 1 1 38 38 THR N N 38 111.283 111.283 114.944 -3.661 18098 3642 1 7 . 1 1 38 38 THR HA H 38 3.867 3.867 3.997 -0.130 18098 3643 1 7 . 1 1 38 38 THR C C 38 175.061 175.061 176.205 -1.144 18098 3644 1 7 . 1 1 38 38 THR CA C 38 65.735 65.735 66.249 -0.513 18098 3645 1 7 . 1 1 38 38 THR CB C 38 67.623 67.623 67.927 -0.304 18098 3646 1 7 . 1 1 38 38 THR H H 38 6.425 6.425 7.160 -0.735 18098 3647 1 7 . 1 1 39 39 ASP N N 39 124.325 124.325 123.623 0.702 18098 3648 1 7 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.590 -0.077 18098 3649 1 7 . 1 1 39 39 ASP C C 39 179.225 179.225 178.724 0.501 18098 3650 1 7 . 1 1 39 39 ASP CA C 39 57.098 57.098 58.048 -0.950 18098 3651 1 7 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.644 1.239 18098 3652 1 7 . 1 1 39 39 ASP H H 39 7.997 7.997 7.730 0.267 18098 3653 1 7 . 1 1 40 40 LEU N N 40 118.757 118.757 119.245 -0.488 18098 3654 1 7 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.074 -0.063 18098 3655 1 7 . 1 1 40 40 LEU C C 40 180.528 180.528 179.728 0.800 18098 3656 1 7 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.287 0.805 18098 3657 1 7 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.882 -0.084 18098 3658 1 7 . 1 1 40 40 LEU H H 40 8.623 8.623 7.888 0.735 18098 3659 1 7 . 1 1 41 41 LEU N N 41 119.923 119.923 120.911 -0.988 18098 3660 1 7 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.347 0.046 18098 3661 1 7 . 1 1 41 41 LEU C C 41 177.631 177.631 178.419 -0.788 18098 3662 1 7 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.298 0.059 18098 3663 1 7 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.062 1.277 18098 3664 1 7 . 1 1 41 41 LEU H H 41 7.382 7.382 7.790 -0.408 18098 3665 1 7 . 1 1 42 42 LEU N N 42 115.623 115.623 118.280 -2.657 18098 3666 1 7 . 1 1 42 42 LEU HA H 42 4.273 4.273 3.996 0.277 18098 3667 1 7 . 1 1 42 42 LEU C C 42 179.489 179.489 179.504 -0.015 18098 3668 1 7 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.786 -0.217 18098 3669 1 7 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.652 -1.168 18098 3670 1 7 . 1 1 42 42 LEU H H 42 8.963 8.963 8.246 0.717 18098 3671 1 7 . 1 1 43 43 SER N N 43 115.349 115.349 114.877 0.472 18098 3672 1 7 . 1 1 43 43 SER HA H 43 4.039 4.039 4.367 -0.328 18098 3673 1 7 . 1 1 43 43 SER C C 43 178.200 178.200 176.913 1.287 18098 3674 1 7 . 1 1 43 43 SER CA C 43 62.665 62.665 62.248 0.417 18098 3675 1 7 . 1 1 43 43 SER CB C 43 62.476 62.476 62.831 -0.355 18098 3676 1 7 . 1 1 43 43 SER H H 43 8.535 8.535 8.567 -0.032 18098 3677 1 7 . 1 1 44 44 GLY N N 44 110.034 110.034 110.007 0.027 18098 3678 1 7 . 1 1 44 44 GLY C C 44 175.624 175.624 175.700 -0.076 18098 3679 1 7 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.907 0.237 18098 3680 1 7 . 1 1 44 44 GLY H H 44 7.812 7.812 7.701 0.111 18098 3681 1 7 . 1 1 45 45 PHE N N 45 125.487 125.487 122.332 3.155 18098 3682 1 7 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.411 -0.473 18098 3683 1 7 . 1 1 45 45 PHE C C 45 177.482 177.482 176.397 1.085 18098 3684 1 7 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.563 0.681 18098 3685 1 7 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.620 1.299 18098 3686 1 7 . 1 1 45 45 PHE H H 45 8.542 8.542 7.931 0.611 18098 3687 1 7 . 1 1 46 46 ALA N N 46 121.034 121.034 121.489 -0.455 18098 3688 1 7 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.925 -0.193 18098 3689 1 7 . 1 1 46 46 ALA C C 46 179.916 179.916 179.230 0.686 18098 3690 1 7 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.752 -0.044 18098 3691 1 7 . 1 1 46 46 ALA CB C 46 18.097 18.097 17.892 0.205 18098 3692 1 7 . 1 1 46 46 ALA H H 46 9.262 9.262 7.989 1.273 18098 3693 1 7 . 1 1 47 47 ALA N N 47 117.642 117.642 120.538 -2.896 18098 3694 1 7 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.096 -0.125 18098 3695 1 7 . 1 1 47 47 ALA C C 47 178.250 178.250 178.811 -0.561 18098 3696 1 7 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.414 -0.032 18098 3697 1 7 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.666 -0.465 18098 3698 1 7 . 1 1 47 47 ALA H H 47 7.481 7.481 7.831 -0.350 18098 3699 1 7 . 1 1 48 48 LYS N N 48 115.388 115.388 118.006 -2.618 18098 3700 1 7 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.078 0.022 18098 3701 1 7 . 1 1 48 48 LYS C C 48 177.845 177.845 178.219 -0.374 18098 3702 1 7 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.300 -0.540 18098 3703 1 7 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.225 0.561 18098 3704 1 7 . 1 1 48 48 LYS H H 48 7.056 7.056 7.504 -0.448 18098 3705 1 7 . 1 1 49 49 TYR N N 49 112.714 112.714 116.571 -3.857 18098 3706 1 7 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.121 0.175 18098 3707 1 7 . 1 1 49 49 TYR C C 49 178.272 178.272 177.642 0.630 18098 3708 1 7 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.065 -0.941 18098 3709 1 7 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.355 1.905 18098 3710 1 7 . 1 1 49 49 TYR H H 49 7.941 7.941 7.749 0.192 18098 3711 1 7 . 1 1 50 50 LEU N N 50 120.890 120.890 118.709 2.181 18098 3712 1 7 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.899 0.076 18098 3713 1 7 . 1 1 50 50 LEU C C 50 180.108 180.108 178.366 1.742 18098 3714 1 7 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.563 2.146 18098 3715 1 7 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.214 -0.377 18098 3716 1 7 . 1 1 50 50 LEU H H 50 7.945 7.945 7.748 0.197 18098 3717 1 7 . 1 1 51 51 LYS N N 51 115.335 115.335 117.858 -2.523 18098 3718 1 7 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.017 -0.159 18098 3719 1 7 . 1 1 51 51 LYS C C 51 176.051 176.051 177.374 -1.323 18098 3720 1 7 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.562 0.243 18098 3721 1 7 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.131 -0.624 18098 3722 1 7 . 1 1 51 51 LYS H H 51 8.463 8.463 8.239 0.224 18098 3723 1 7 . 1 1 52 52 LYS N N 52 115.175 115.175 115.484 -0.309 18098 3724 1 7 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.343 0.067 18098 3725 1 7 . 1 1 52 52 LYS C C 52 176.777 176.777 176.983 -0.206 18098 3726 1 7 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.124 -1.040 18098 3727 1 7 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.941 -0.825 18098 3728 1 7 . 1 1 52 52 LYS H H 52 7.232 7.232 7.532 -0.300 18098 3729 1 7 . 1 1 53 53 MET N N 53 120.127 120.127 119.263 0.864 18098 3730 1 7 . 1 1 53 53 MET HA H 53 4.485 4.485 4.231 0.254 18098 3731 1 7 . 1 1 53 53 MET C C 53 176.179 176.179 176.067 0.112 18098 3732 1 7 . 1 1 53 53 MET CA C 53 57.091 57.091 56.208 0.883 18098 3733 1 7 . 1 1 53 53 MET CB C 53 34.125 34.125 33.334 0.791 18098 3734 1 7 . 1 1 53 53 MET H H 53 7.175 7.175 7.871 -0.696 18098 3735 1 7 . 1 1 54 54 ASN N N 54 120.819 120.819 121.081 -0.262 18098 3736 1 7 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.890 -0.125 18098 3737 1 7 . 1 1 54 54 ASN C C 54 175.154 175.154 176.167 -1.013 18098 3738 1 7 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.211 -1.270 18098 3739 1 7 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.310 -0.775 18098 3740 1 7 . 1 1 54 54 ASN H H 54 9.045 9.045 8.623 0.422 18098 3741 1 7 . 1 1 55 55 GLU N N 55 116.971 116.971 121.555 -4.584 18098 3742 1 7 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.905 -0.081 18098 3743 1 7 . 1 1 55 55 GLU C C 55 178.122 178.122 178.335 -0.213 18098 3744 1 7 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.767 0.485 18098 3745 1 7 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.497 0.172 18098 3746 1 7 . 1 1 55 55 GLU H H 55 8.891 8.891 8.927 -0.036 18098 3747 1 7 . 1 1 56 56 GLU N N 56 119.652 119.652 117.648 2.004 18098 3748 1 7 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.221 -0.084 18098 3749 1 7 . 1 1 56 56 GLU C C 56 179.937 179.937 179.111 0.826 18098 3750 1 7 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.243 0.573 18098 3751 1 7 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.850 0.232 18098 3752 1 7 . 1 1 56 56 GLU H H 56 8.366 8.366 8.933 -0.567 18098 3753 1 7 . 1 1 57 57 GLU N N 57 122.119 122.119 120.471 1.648 18098 3754 1 7 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.201 0.064 18098 3755 1 7 . 1 1 57 57 GLU C C 57 179.332 179.332 179.323 0.009 18098 3756 1 7 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.746 0.413 18098 3757 1 7 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.503 -0.203 18098 3758 1 7 . 1 1 57 57 GLU H H 57 8.491 8.491 7.620 0.871 18098 3759 1 7 . 1 1 58 58 LEU N N 58 119.424 119.424 119.688 -0.264 18098 3760 1 7 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.125 0.011 18098 3761 1 7 . 1 1 58 58 LEU C C 58 179.218 179.218 179.240 -0.022 18098 3762 1 7 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.227 -0.542 18098 3763 1 7 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.804 0.046 18098 3764 1 7 . 1 1 58 58 LEU H H 58 8.693 8.693 8.414 0.279 18098 3765 1 7 . 1 1 59 59 GLU N N 59 118.813 118.813 117.676 1.137 18098 3766 1 7 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.096 0.204 18098 3767 1 7 . 1 1 59 59 GLU C C 59 179.361 179.361 179.154 0.207 18098 3768 1 7 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.043 -0.004 18098 3769 1 7 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.008 0.097 18098 3770 1 7 . 1 1 59 59 GLU H H 59 8.009 8.009 8.246 -0.237 18098 3771 1 7 . 1 1 60 60 GLU N N 60 121.472 121.472 121.409 0.063 18098 3772 1 7 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.149 0.107 18098 3773 1 7 . 1 1 60 60 GLU C C 60 178.451 178.451 178.486 -0.035 18098 3774 1 7 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.573 1.076 18098 3775 1 7 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.373 0.391 18098 3776 1 7 . 1 1 60 60 GLU H H 60 7.867 7.867 7.802 0.065 18098 3777 1 7 . 1 1 61 61 TYR N N 61 121.955 121.955 120.310 1.645 18098 3778 1 7 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.299 -0.165 18098 3779 1 7 . 1 1 61 61 TYR C C 61 176.278 176.278 177.530 -1.252 18098 3780 1 7 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.944 1.227 18098 3781 1 7 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.580 -0.390 18098 3782 1 7 . 1 1 61 61 TYR H H 61 8.675 8.675 8.259 0.416 18098 3783 1 7 . 1 1 62 62 ASP N N 62 118.314 118.314 119.269 -0.955 18098 3784 1 7 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.195 0.068 18098 3785 1 7 . 1 1 62 62 ASP C C 62 178.464 178.464 178.601 -0.137 18098 3786 1 7 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.316 -0.571 18098 3787 1 7 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.299 1.246 18098 3788 1 7 . 1 1 62 62 ASP H H 62 8.481 8.481 8.139 0.342 18098 3789 1 7 . 1 1 63 63 SER N N 63 111.380 111.380 115.384 -4.004 18098 3790 1 7 . 1 1 63 63 SER HA H 63 4.361 4.361 4.205 0.156 18098 3791 1 7 . 1 1 63 63 SER C C 63 178.763 178.763 176.677 2.086 18098 3792 1 7 . 1 1 63 63 SER CA C 63 61.824 61.824 61.505 0.319 18098 3793 1 7 . 1 1 63 63 SER CB C 63 62.830 62.830 63.445 -0.615 18098 3794 1 7 . 1 1 63 63 SER H H 63 7.779 7.779 7.663 0.116 18098 3795 1 7 . 1 1 64 64 LEU N N 64 127.444 127.444 122.408 5.036 18098 3796 1 7 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.225 -0.169 18098 3797 1 7 . 1 1 64 64 LEU C C 64 177.688 177.688 178.180 -0.492 18098 3798 1 7 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.394 0.657 18098 3799 1 7 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.032 -1.857 18098 3800 1 7 . 1 1 64 64 LEU H H 64 8.616 8.616 7.570 1.046 18098 3801 1 7 . 1 1 65 65 LEU N N 65 114.503 114.503 118.850 -4.347 18098 3802 1 7 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.811 -0.043 18098 3803 1 7 . 1 1 65 65 LEU C C 65 178.506 178.506 177.997 0.509 18098 3804 1 7 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.215 -0.850 18098 3805 1 7 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.983 -0.520 18098 3806 1 7 . 1 1 65 65 LEU H H 65 7.700 7.700 7.812 -0.112 18098 3807 1 7 . 1 1 66 66 ASN N N 66 116.208 116.208 115.312 0.896 18098 3808 1 7 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.696 0.043 18098 3809 1 7 . 1 1 66 66 ASN C C 66 176.008 176.008 175.068 0.940 18098 3810 1 7 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.724 0.162 18098 3811 1 7 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.852 0.407 18098 3812 1 7 . 1 1 66 66 ASN H H 66 7.533 7.533 7.694 -0.161 18098 3813 1 7 . 1 1 67 67 GLU N N 67 120.300 120.300 120.514 -0.214 18098 3814 1 7 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.542 -0.053 18098 3815 1 7 . 1 1 67 67 GLU C C 67 175.410 175.410 175.773 -0.363 18098 3816 1 7 . 1 1 67 67 GLU CA C 67 54.966 54.966 54.911 0.055 18098 3817 1 7 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.962 -2.542 18098 3818 1 7 . 1 1 67 67 GLU H H 67 7.948 7.948 7.493 0.455 18098 3819 1 7 . 1 1 68 68 LEU N N 68 120.037 120.037 122.042 -2.005 18098 3820 1 7 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.262 -0.132 18098 3821 1 7 . 1 1 68 68 LEU C C 68 178.720 178.720 177.665 1.055 18098 3822 1 7 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.632 0.074 18098 3823 1 7 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.219 -0.711 18098 3824 1 7 . 1 1 68 68 LEU H H 68 9.451 9.451 8.426 1.025 18098 3825 1 7 . 1 1 69 69 ASP N N 69 120.774 120.774 125.497 -4.723 18098 3826 1 7 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.117 0.060 18098 3827 1 7 . 1 1 69 69 ASP C C 69 179.446 179.446 178.279 1.167 18098 3828 1 7 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.246 0.391 18098 3829 1 7 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.480 0.374 18098 3830 1 7 . 1 1 69 69 ASP H H 69 8.445 8.445 8.805 -0.360 18098 3831 1 7 . 1 1 70 70 TRP N N 70 117.865 117.865 119.146 -1.281 18098 3832 1 7 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.248 -0.130 18098 3833 1 7 . 1 1 70 70 TRP C C 70 176.983 176.983 178.281 -1.298 18098 3834 1 7 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.266 -0.163 18098 3835 1 7 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.137 -0.746 18098 3836 1 7 . 1 1 70 70 TRP H H 70 8.809 8.809 8.059 0.750 18098 3837 1 7 . 1 1 71 71 ASP N N 71 116.993 116.993 119.313 -2.320 18098 3838 1 7 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.071 -0.209 18098 3839 1 7 . 1 1 71 71 ASP C C 71 175.218 175.218 177.643 -2.425 18098 3840 1 7 . 1 1 71 71 ASP CA C 71 57.453 57.453 58.020 -0.567 18098 3841 1 7 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.762 -1.039 18098 3842 1 7 . 1 1 71 71 ASP H H 71 6.134 6.134 7.510 -1.376 18098 3843 1 7 . 1 1 72 72 ILE N N 72 115.361 115.361 119.658 -4.297 18098 3844 1 7 . 1 1 72 72 ILE HA H 72 2.872 2.872 2.932 -0.060 18098 3845 1 7 . 1 1 72 72 ILE C C 72 177.097 177.097 177.559 -0.462 18098 3846 1 7 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.755 1.364 18098 3847 1 7 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.539 0.740 18098 3848 1 7 . 1 1 72 72 ILE H H 72 7.302 7.302 7.414 -0.112 18098 3849 1 7 . 1 1 73 73 TYR N N 73 116.121 116.121 120.283 -4.162 18098 3850 1 7 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.898 -0.157 18098 3851 1 7 . 1 1 73 73 TYR C C 73 178.827 178.827 177.069 1.758 18098 3852 1 7 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.816 0.334 18098 3853 1 7 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.383 -0.211 18098 3854 1 7 . 1 1 73 73 TYR H H 73 7.327 7.327 7.606 -0.279 18098 3855 1 7 . 1 1 74 74 TYR N N 74 121.029 121.029 118.618 2.411 18098 3856 1 7 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.262 0.014 18098 3857 1 7 . 1 1 74 74 TYR C C 74 178.165 178.165 178.225 -0.060 18098 3858 1 7 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.727 -0.451 18098 3859 1 7 . 1 1 74 74 TYR CB C 74 35.784 35.784 38.154 -2.369 18098 3860 1 7 . 1 1 74 74 TYR H H 74 8.922 8.922 8.064 0.858 18098 3861 1 7 . 1 1 75 75 TRP N N 75 121.118 121.118 119.532 1.586 18098 3862 1 7 . 1 1 75 75 TRP HA H 75 4.755 4.755 3.501 1.254 18098 3863 1 7 . 1 1 75 75 TRP C C 75 180.599 180.599 178.467 2.132 18098 3864 1 7 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.648 -0.878 18098 3865 1 7 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.617 0.794 18098 3866 1 7 . 1 1 75 75 TRP H H 75 9.201 9.201 8.052 1.149 18098 3867 1 7 . 1 1 76 76 ALA N N 76 122.129 122.129 121.821 0.308 18098 3868 1 7 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.079 -0.123 18098 3869 1 7 . 1 1 76 76 ALA C C 76 177.546 177.546 179.713 -2.167 18098 3870 1 7 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.567 0.633 18098 3871 1 7 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.435 0.790 18098 3872 1 7 . 1 1 76 76 ALA H H 76 8.761 8.761 7.465 1.296 18098 3873 1 7 . 1 1 77 77 THR N N 77 102.584 102.584 109.341 -6.757 18098 3874 1 7 . 1 1 77 77 THR HA H 77 4.192 4.192 3.917 0.275 18098 3875 1 7 . 1 1 77 77 THR C C 77 173.425 173.425 175.485 -2.060 18098 3876 1 7 . 1 1 77 77 THR CA C 77 60.767 60.767 62.996 -2.229 18098 3877 1 7 . 1 1 77 77 THR CB C 77 69.573 69.573 69.042 0.531 18098 3878 1 7 . 1 1 77 77 THR H H 77 7.411 7.411 7.615 -0.204 18098 3879 1 7 . 1 1 78 78 LYS N N 78 116.069 116.069 117.972 -1.903 18098 3880 1 7 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.746 -0.916 18098 3881 1 7 . 1 1 78 78 LYS C C 78 174.514 174.514 175.828 -1.314 18098 3882 1 7 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.554 -0.312 18098 3883 1 7 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.732 -2.399 18098 3884 1 7 . 1 1 78 78 LYS H H 78 7.420 7.420 7.647 -0.227 18098 3885 1 7 . 1 1 79 79 ASN N N 79 120.318 120.318 116.479 3.839 18098 3886 1 7 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.719 0.078 18098 3887 1 7 . 1 1 79 79 ASN C C 79 175.581 175.581 176.657 -1.076 18098 3888 1 7 . 1 1 79 79 ASN CA C 79 50.595 50.595 55.191 -4.596 18098 3889 1 7 . 1 1 79 79 ASN CB C 79 36.999 36.999 39.713 -2.714 18098 3890 1 7 . 1 1 79 79 ASN H H 79 8.828 8.828 7.618 1.210 18098 3891 1 7 . 1 1 80 80 PHE N N 80 120.545 120.545 116.037 4.508 18098 3892 1 7 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.080 0.789 18098 3893 1 7 . 1 1 80 80 PHE C C 80 177.311 177.311 177.023 0.288 18098 3894 1 7 . 1 1 80 80 PHE CA C 80 56.745 56.745 61.289 -4.544 18098 3895 1 7 . 1 1 80 80 PHE CB C 80 38.211 38.211 37.304 0.907 18098 3896 1 7 . 1 1 80 80 PHE H H 80 7.581 7.581 7.952 -0.371 18098 3897 1 7 . 1 1 81 81 LYS N N 81 118.568 118.568 118.462 0.106 18098 3898 1 7 . 1 1 81 81 LYS HA H 81 4.061 4.061 3.796 0.265 18098 3899 1 7 . 1 1 81 81 LYS C C 81 177.845 177.845 177.159 0.686 18098 3900 1 7 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.915 -0.407 18098 3901 1 7 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.199 0.892 18098 3902 1 7 . 1 1 81 81 LYS H H 81 7.999 7.999 8.356 -0.357 18098 3903 1 7 . 1 1 82 82 THR N N 82 111.828 111.828 112.499 -0.671 18098 3904 1 7 . 1 1 82 82 THR HA H 82 4.098 4.098 4.235 -0.137 18098 3905 1 7 . 1 1 82 82 THR C C 82 174.556 174.556 174.860 -0.304 18098 3906 1 7 . 1 1 82 82 THR CA C 82 63.796 63.796 62.482 1.314 18098 3907 1 7 . 1 1 82 82 THR CB C 82 68.509 68.509 69.574 -1.065 18098 3908 1 7 . 1 1 82 82 THR H H 82 7.419 7.419 7.698 -0.279 18098 3909 1 7 . 1 1 83 83 SER N N 83 115.546 115.546 119.245 -3.699 18098 3910 1 7 . 1 1 83 83 SER HA H 83 5.000 5.000 5.076 -0.076 18098 3911 1 7 . 1 1 83 83 SER C C 83 170.371 170.371 172.355 -1.984 18098 3912 1 7 . 1 1 83 83 SER CA C 83 54.673 54.673 56.663 -1.990 18098 3913 1 7 . 1 1 83 83 SER CB C 83 63.763 63.763 64.499 -0.736 18098 3914 1 7 . 1 1 83 83 SER H H 83 7.312 7.312 7.715 -0.403 18098 3915 1 7 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.721 -0.166 18098 3916 1 7 . 1 1 84 84 PRO C C 84 176.855 176.855 176.161 0.694 18098 3917 1 7 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.383 0.157 18098 3918 1 7 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.593 -0.510 18098 3919 1 7 . 1 1 85 85 LEU N N 85 125.147 125.147 120.988 4.159 18098 3920 1 7 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.453 -0.640 18098 3921 1 7 . 1 1 85 85 LEU C C 85 175.168 175.168 175.329 -0.161 18098 3922 1 7 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.012 0.325 18098 3923 1 7 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.480 0.880 18098 3924 1 7 . 1 1 85 85 LEU H H 85 8.171 8.171 8.182 -0.011 18098 3925 1 7 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.669 -0.161 18098 3926 1 7 . 1 1 86 86 PRO C C 86 177.111 177.111 176.752 0.359 18098 3927 1 7 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.250 0.011 18098 3928 1 7 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.999 -0.224 18098 3929 1 7 . 1 1 87 87 ASP N N 87 123.224 123.224 120.003 3.221 18098 3930 1 7 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.352 -0.197 18098 3931 1 7 . 1 1 87 87 ASP C C 87 178.392 178.392 176.837 1.555 18098 3932 1 7 . 1 1 87 87 ASP CA C 87 57.499 57.499 56.336 1.163 18098 3933 1 7 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.576 -0.456 18098 3934 1 7 . 1 1 87 87 ASP H H 87 8.649 8.649 8.421 0.228 18098 3935 1 7 . 1 1 88 88 LYS N N 88 115.960 115.960 116.382 -0.422 18098 3936 1 7 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.969 -0.138 18098 3937 1 7 . 1 1 88 88 LYS C C 88 176.585 176.585 176.169 0.416 18098 3938 1 7 . 1 1 88 88 LYS CA C 88 58.259 58.259 57.934 0.324 18098 3939 1 7 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.686 0.049 18098 3940 1 7 . 1 1 88 88 LYS H H 88 8.344 8.344 8.179 0.165 18098 3941 1 7 . 1 1 89 89 TRP N N 89 116.821 116.821 118.230 -1.409 18098 3942 1 7 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.561 0.253 18098 3943 1 7 . 1 1 89 89 TRP C C 89 176.329 176.329 175.905 0.424 18098 3944 1 7 . 1 1 89 89 TRP CA C 89 56.147 56.147 55.810 0.337 18098 3945 1 7 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.321 1.181 18098 3946 1 7 . 1 1 89 89 TRP H H 89 7.145 7.145 7.057 0.088 18098 3947 1 7 . 1 1 90 90 ALA N N 90 122.680 122.680 122.313 0.367 18098 3948 1 7 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.180 -0.314 18098 3949 1 7 . 1 1 90 90 ALA C C 90 177.965 177.965 176.892 1.073 18098 3950 1 7 . 1 1 90 90 ALA CA C 90 54.711 54.711 53.575 1.136 18098 3951 1 7 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.151 0.228 18098 3952 1 7 . 1 1 90 90 ALA H H 90 7.456 7.456 7.358 0.098 18098 3953 1 7 . 1 1 91 91 ASN N N 91 114.054 114.054 118.134 -4.080 18098 3954 1 7 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.395 0.420 18098 3955 1 7 . 1 1 91 91 ASN C C 91 174.727 174.727 174.376 0.351 18098 3956 1 7 . 1 1 91 91 ASN CA C 91 52.389 52.389 53.928 -1.538 18098 3957 1 7 . 1 1 91 91 ASN CB C 91 38.707 38.707 37.381 1.326 18098 3958 1 7 . 1 1 91 91 ASN H H 91 8.318 8.318 8.830 -0.512 18098 3959 1 7 . 1 1 92 92 SER N N 92 113.359 113.359 116.390 -3.031 18098 3960 1 7 . 1 1 92 92 SER HA H 92 4.649 4.649 4.532 0.117 18098 3961 1 7 . 1 1 92 92 SER C C 92 177.033 177.033 175.391 1.642 18098 3962 1 7 . 1 1 92 92 SER CA C 92 57.599 57.599 57.797 -0.198 18098 3963 1 7 . 1 1 92 92 SER CB C 92 64.454 64.454 64.435 0.019 18098 3964 1 7 . 1 1 92 92 SER H H 92 7.255 7.255 7.791 -0.536 18098 3965 1 7 . 1 1 93 93 LYS N N 93 133.672 133.672 129.164 4.508 18098 3966 1 7 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.134 -0.004 18098 3967 1 7 . 1 1 93 93 LYS C C 93 178.763 178.763 178.121 0.642 18098 3968 1 7 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.393 -0.264 18098 3969 1 7 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.461 -0.378 18098 3970 1 7 . 1 1 93 93 LYS H H 93 9.608 9.608 8.949 0.659 18098 3971 1 7 . 1 1 94 94 LEU N N 94 122.086 122.086 120.428 1.658 18098 3972 1 7 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.560 -0.209 18098 3973 1 7 . 1 1 94 94 LEU C C 94 178.663 178.663 178.859 -0.196 18098 3974 1 7 . 1 1 94 94 LEU CA C 94 57.236 57.236 57.819 -0.583 18098 3975 1 7 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.825 -0.664 18098 3976 1 7 . 1 1 94 94 LEU H H 94 8.000 8.000 8.181 -0.181 18098 3977 1 7 . 1 1 95 95 LEU N N 95 118.720 118.720 119.410 -0.690 18098 3978 1 7 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.927 -0.002 18098 3979 1 7 . 1 1 95 95 LEU C C 95 178.530 178.530 178.361 0.169 18098 3980 1 7 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.140 -0.759 18098 3981 1 7 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.723 -0.799 18098 3982 1 7 . 1 1 95 95 LEU H H 95 7.997 7.997 7.711 0.286 18098 3983 1 7 . 1 1 96 96 LYS N N 96 117.880 117.880 118.944 -1.064 18098 3984 1 7 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.173 0.083 18098 3985 1 7 . 1 1 96 96 LYS C C 96 179.147 179.147 179.529 -0.382 18098 3986 1 7 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.774 -0.312 18098 3987 1 7 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.193 -0.273 18098 3988 1 7 . 1 1 96 96 LYS H H 96 7.341 7.341 7.725 -0.384 18098 3989 1 7 . 1 1 97 97 GLN N N 97 119.660 119.660 118.253 1.407 18098 3990 1 7 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.161 0.033 18098 3991 1 7 . 1 1 97 97 GLN C C 97 179.040 179.040 178.799 0.241 18098 3992 1 7 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.943 0.139 18098 3993 1 7 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.719 0.328 18098 3994 1 7 . 1 1 97 97 GLN H H 97 8.007 8.007 8.062 -0.055 18098 3995 1 7 . 1 1 98 98 LEU N N 98 122.983 122.983 120.929 2.054 18098 3996 1 7 . 1 1 98 98 LEU HA H 98 3.851 3.851 4.102 -0.251 18098 3997 1 7 . 1 1 98 98 LEU C C 98 178.841 178.841 178.627 0.214 18098 3998 1 7 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.670 0.411 18098 3999 1 7 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.623 0.272 18098 4000 1 7 . 1 1 98 98 LEU H H 98 8.425 8.425 7.804 0.621 18098 4001 1 7 . 1 1 99 99 GLN N N 99 119.099 119.099 118.585 0.514 18098 4002 1 7 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.169 0.471 18098 4003 1 7 . 1 1 99 99 GLN C C 99 179.660 179.660 178.716 0.944 18098 4004 1 7 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.025 -1.209 18098 4005 1 7 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.949 -1.532 18098 4006 1 7 . 1 1 99 99 GLN H H 99 8.594 8.594 8.327 0.267 18098 4007 1 7 . 1 1 100 100 GLU N N 100 120.803 120.803 118.965 1.838 18098 4008 1 7 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.110 0.001 18098 4009 1 7 . 1 1 100 100 GLU C C 100 178.870 178.870 178.872 -0.002 18098 4010 1 7 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.685 0.764 18098 4011 1 7 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.354 0.026 18098 4012 1 7 . 1 1 100 100 GLU H H 100 8.353 8.353 7.928 0.425 18098 4013 1 7 . 1 1 101 101 PHE N N 101 120.752 120.752 122.569 -1.817 18098 4014 1 7 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.340 0.133 18098 4015 1 7 . 1 1 101 101 PHE C C 101 177.289 177.289 177.767 -0.478 18098 4016 1 7 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.829 0.288 18098 4017 1 7 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.630 0.073 18098 4018 1 7 . 1 1 101 101 PHE H H 101 8.544 8.544 8.101 0.443 18098 4019 1 7 . 1 1 102 102 SER N N 102 112.889 112.889 114.579 -1.690 18098 4020 1 7 . 1 1 102 102 SER HA H 102 3.821 3.821 4.023 -0.202 18098 4021 1 7 . 1 1 102 102 SER C C 102 176.414 176.414 176.568 -0.154 18098 4022 1 7 . 1 1 102 102 SER CA C 102 61.123 61.123 61.316 -0.193 18098 4023 1 7 . 1 1 102 102 SER CB C 102 63.193 63.193 62.707 0.486 18098 4024 1 7 . 1 1 102 102 SER H H 102 8.314 8.314 8.196 0.118 18098 4025 1 7 . 1 1 103 103 GLU N N 103 118.066 118.066 119.922 -1.856 18098 4026 1 7 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.197 -0.083 18098 4027 1 7 . 1 1 103 103 GLU C C 103 177.375 177.375 177.426 -0.051 18098 4028 1 7 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.413 -0.612 18098 4029 1 7 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.737 0.289 18098 4030 1 7 . 1 1 103 103 GLU H H 103 7.809 7.809 7.729 0.080 18098 4031 1 7 . 1 1 104 104 ASN N N 104 117.241 117.241 116.082 1.159 18098 4032 1 7 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.896 -0.249 18098 4033 1 7 . 1 1 104 104 ASN C C 104 175.752 175.752 176.320 -0.568 18098 4034 1 7 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.035 0.704 18098 4035 1 7 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.585 -0.963 18098 4036 1 7 . 1 1 104 104 ASN H H 104 7.917 7.917 7.849 0.068 18098 4037 1 7 . 1 1 105 105 LYS N N 105 121.903 121.903 120.690 1.213 18098 4038 1 7 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.265 0.803 18098 4039 1 7 . 1 1 105 105 LYS C C 105 177.311 177.311 176.532 0.779 18098 4040 1 7 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.649 -1.275 18098 4041 1 7 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.603 0.434 18098 4042 1 7 . 1 1 105 105 LYS H H 105 8.093 8.093 7.291 0.802 18098 4043 1 7 . 1 1 106 106 GLU N N 106 119.595 119.595 117.832 1.763 18098 4044 1 7 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.537 -0.268 18098 4045 1 7 . 1 1 106 106 GLU C C 106 176.585 176.585 175.765 0.820 18098 4046 1 7 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.522 1.169 18098 4047 1 7 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.413 0.287 18098 4048 1 7 . 1 1 106 106 GLU H H 106 8.200 8.200 8.369 -0.169 18098 4049 1 7 . 1 1 107 107 LYS N N 107 120.538 120.538 121.695 -1.157 18098 4050 1 7 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.327 -0.060 18098 4051 1 7 . 1 1 107 107 LYS C C 107 176.435 176.435 176.295 0.140 18098 4052 1 7 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.967 0.485 18098 4053 1 7 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.241 1.869 18098 4054 1 7 . 1 1 107 107 LYS H H 107 7.838 7.838 7.446 0.392 18098 4055 1 7 . 1 1 108 108 GLU N N 108 122.869 122.869 122.435 0.434 18098 4056 1 7 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.574 -0.257 18098 4057 1 7 . 1 1 108 108 GLU C C 108 175.403 175.403 176.457 -1.054 18098 4058 1 7 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.379 1.186 18098 4059 1 7 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.568 -0.511 18098 4060 1 7 . 1 1 108 108 GLU H H 108 8.313 8.313 7.918 0.395 18098 4061 1 8 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.870 -0.228 18098 4062 1 8 . 1 1 10 10 HIS C C 10 174.891 174.891 174.429 0.462 18098 4063 1 8 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.542 0.488 18098 4064 1 8 . 1 1 10 10 HIS CB C 10 30.113 30.113 31.195 -1.082 18098 4065 1 8 . 1 1 11 11 MET N N 11 121.211 121.211 120.629 0.582 18098 4066 1 8 . 1 1 11 11 MET HA H 11 4.417 4.417 4.696 -0.279 18098 4067 1 8 . 1 1 11 11 MET C C 11 175.709 175.709 175.559 0.150 18098 4068 1 8 . 1 1 11 11 MET CA C 11 55.405 55.405 54.344 1.061 18098 4069 1 8 . 1 1 11 11 MET CB C 11 32.776 32.776 34.086 -1.310 18098 4070 1 8 . 1 1 11 11 MET H H 11 8.179 8.179 8.315 -0.136 18098 4071 1 8 . 1 1 12 12 ILE N N 12 122.511 122.511 121.883 0.628 18098 4072 1 8 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.034 0.089 18098 4073 1 8 . 1 1 12 12 ILE C C 12 175.809 175.809 175.161 0.648 18098 4074 1 8 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.268 -0.466 18098 4075 1 8 . 1 1 12 12 ILE CB C 12 38.531 38.531 35.723 2.808 18098 4076 1 8 . 1 1 12 12 ILE H H 12 8.088 8.088 8.384 -0.296 18098 4077 1 8 . 1 1 13 13 LYS N N 13 126.072 126.072 126.797 -0.725 18098 4078 1 8 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.548 -0.220 18098 4079 1 8 . 1 1 13 13 LYS C C 13 176.108 176.108 175.997 0.111 18098 4080 1 8 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.191 0.862 18098 4081 1 8 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.527 -0.612 18098 4082 1 8 . 1 1 13 13 LYS H H 13 8.381 8.381 8.066 0.315 18098 4083 1 8 . 1 1 14 14 ARG N N 14 123.714 123.714 121.534 2.180 18098 4084 1 8 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.070 0.374 18098 4085 1 8 . 1 1 14 14 ARG C C 14 176.428 176.428 175.210 1.218 18098 4086 1 8 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.702 -0.960 18098 4087 1 8 . 1 1 14 14 ARG CB C 14 30.781 30.781 29.486 1.295 18098 4088 1 8 . 1 1 14 14 ARG H H 14 8.484 8.484 8.582 -0.098 18098 4089 1 8 . 1 1 15 15 THR N N 15 115.338 115.338 114.139 1.199 18098 4090 1 8 . 1 1 15 15 THR HA H 15 4.367 4.367 4.498 -0.131 18098 4091 1 8 . 1 1 15 15 THR C C 15 174.172 174.172 174.471 -0.299 18098 4092 1 8 . 1 1 15 15 THR CA C 15 61.501 61.501 60.876 0.625 18098 4093 1 8 . 1 1 15 15 THR CB C 15 69.868 69.868 70.087 -0.219 18098 4094 1 8 . 1 1 15 15 THR H H 15 8.279 8.279 8.078 0.201 18098 4095 1 8 . 1 1 16 16 ASN N N 16 120.727 120.727 123.815 -3.088 18098 4096 1 8 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.751 -0.073 18098 4097 1 8 . 1 1 16 16 ASN C C 16 174.482 174.482 174.703 -0.221 18098 4098 1 8 . 1 1 16 16 ASN CA C 16 53.072 53.072 54.599 -1.526 18098 4099 1 8 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.224 -0.843 18098 4100 1 8 . 1 1 16 16 ASN H H 16 8.612 8.612 8.730 -0.118 18098 4101 1 8 . 1 1 17 17 GLU N N 17 123.790 123.790 120.783 3.007 18098 4102 1 8 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.844 -0.243 18098 4103 1 8 . 1 1 17 17 GLU C C 17 173.823 173.823 173.792 0.031 18098 4104 1 8 . 1 1 17 17 GLU CA C 17 53.965 53.965 52.969 0.996 18098 4105 1 8 . 1 1 17 17 GLU CB C 17 31.763 31.763 31.349 0.414 18098 4106 1 8 . 1 1 17 17 GLU H H 17 8.113 8.113 8.230 -0.117 18098 4107 1 8 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.466 0.049 18098 4108 1 8 . 1 1 18 18 PRO C C 18 177.709 177.709 177.331 0.378 18098 4109 1 8 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.315 0.450 18098 4110 1 8 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.638 -0.157 18098 4111 1 8 . 1 1 19 19 LEU N N 19 123.760 123.760 122.626 1.134 18098 4112 1 8 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.076 -0.070 18098 4113 1 8 . 1 1 19 19 LEU C C 19 178.307 178.307 178.514 -0.207 18098 4114 1 8 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.925 0.538 18098 4115 1 8 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.319 0.479 18098 4116 1 8 . 1 1 19 19 LEU H H 19 8.720 8.720 8.538 0.182 18098 4117 1 8 . 1 1 20 20 ASP N N 20 115.650 115.650 118.406 -2.756 18098 4118 1 8 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.351 0.010 18098 4119 1 8 . 1 1 20 20 ASP C C 20 179.531 179.531 178.485 1.046 18098 4120 1 8 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.910 -0.823 18098 4121 1 8 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.724 -1.403 18098 4122 1 8 . 1 1 20 20 ASP H H 20 8.829 8.829 8.854 -0.025 18098 4123 1 8 . 1 1 21 21 LYS N N 21 121.462 121.462 118.910 2.552 18098 4124 1 8 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.034 0.098 18098 4125 1 8 . 1 1 21 21 LYS C C 21 178.421 178.421 178.695 -0.274 18098 4126 1 8 . 1 1 21 21 LYS CA C 21 58.283 58.283 59.036 -0.753 18098 4127 1 8 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.471 -0.491 18098 4128 1 8 . 1 1 21 21 LYS H H 21 7.352 7.352 7.636 -0.284 18098 4129 1 8 . 1 1 22 22 LYS N N 22 123.296 123.296 120.600 2.696 18098 4130 1 8 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.004 -0.014 18098 4131 1 8 . 1 1 22 22 LYS C C 22 178.179 178.179 178.439 -0.260 18098 4132 1 8 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.538 0.315 18098 4133 1 8 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.391 0.396 18098 4134 1 8 . 1 1 22 22 LYS H H 22 8.407 8.407 7.715 0.692 18098 4135 1 8 . 1 1 23 23 ARG N N 23 116.950 116.950 119.413 -2.463 18098 4136 1 8 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.034 -0.300 18098 4137 1 8 . 1 1 23 23 ARG C C 23 177.460 177.460 178.388 -0.928 18098 4138 1 8 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.444 1.061 18098 4139 1 8 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.205 0.062 18098 4140 1 8 . 1 1 23 23 ARG H H 23 8.594 8.594 8.070 0.524 18098 4141 1 8 . 1 1 24 24 ALA N N 24 118.391 118.391 120.468 -2.077 18098 4142 1 8 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.110 -0.066 18098 4143 1 8 . 1 1 24 24 ALA C C 24 180.514 180.514 179.644 0.870 18098 4144 1 8 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.989 0.080 18098 4145 1 8 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.138 -0.204 18098 4146 1 8 . 1 1 24 24 ALA H H 24 7.505 7.505 7.809 -0.304 18098 4147 1 8 . 1 1 25 25 ARG N N 25 120.413 120.413 119.594 0.819 18098 4148 1 8 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.157 0.050 18098 4149 1 8 . 1 1 25 25 ARG C C 25 178.058 178.058 178.671 -0.613 18098 4150 1 8 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.291 0.103 18098 4151 1 8 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.264 -0.652 18098 4152 1 8 . 1 1 25 25 ARG H H 25 8.291 8.291 7.982 0.309 18098 4153 1 8 . 1 1 26 26 LEU N N 26 119.205 119.205 119.788 -0.583 18098 4154 1 8 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.058 0.087 18098 4155 1 8 . 1 1 26 26 LEU C C 26 180.642 180.642 179.645 0.997 18098 4156 1 8 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.928 -0.153 18098 4157 1 8 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.119 -0.419 18098 4158 1 8 . 1 1 26 26 LEU H H 26 8.305 8.305 8.170 0.135 18098 4159 1 8 . 1 1 27 27 ILE N N 27 123.643 123.643 118.908 4.735 18098 4160 1 8 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.727 -0.126 18098 4161 1 8 . 1 1 27 27 ILE C C 27 177.716 177.716 178.162 -0.446 18098 4162 1 8 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.434 0.718 18098 4163 1 8 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.711 0.130 18098 4164 1 8 . 1 1 27 27 ILE H H 27 8.488 8.488 7.888 0.600 18098 4165 1 8 . 1 1 28 28 TYR N N 28 121.443 121.443 120.443 1.000 18098 4166 1 8 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.012 0.203 18098 4167 1 8 . 1 1 28 28 TYR C C 28 178.656 178.656 177.616 1.040 18098 4168 1 8 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.700 -0.257 18098 4169 1 8 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.310 -0.476 18098 4170 1 8 . 1 1 28 28 TYR H H 28 7.832 7.832 7.804 0.028 18098 4171 1 8 . 1 1 29 29 GLN N N 29 115.999 115.999 117.054 -1.055 18098 4172 1 8 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.709 0.152 18098 4173 1 8 . 1 1 29 29 GLN C C 29 178.537 178.537 178.163 0.374 18098 4174 1 8 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.074 0.123 18098 4175 1 8 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.343 0.945 18098 4176 1 8 . 1 1 29 29 GLN H H 29 8.965 8.965 8.309 0.656 18098 4177 1 8 . 1 1 30 30 SER N N 30 115.599 115.599 116.019 -0.420 18098 4178 1 8 . 1 1 30 30 SER HA H 30 4.100 4.100 4.142 -0.042 18098 4179 1 8 . 1 1 30 30 SER C C 30 171.004 171.004 175.847 -4.843 18098 4180 1 8 . 1 1 30 30 SER CA C 30 61.818 61.818 62.373 -0.555 18098 4181 1 8 . 1 1 30 30 SER CB C 30 63.196 63.196 63.311 -0.115 18098 4182 1 8 . 1 1 30 30 SER H H 30 7.643 7.643 7.953 -0.310 18098 4183 1 8 . 1 1 31 31 ARG N N 31 114.000 114.000 118.380 -4.380 18098 4184 1 8 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.228 0.398 18098 4185 1 8 . 1 1 31 31 ARG C C 31 176.556 176.556 176.499 0.057 18098 4186 1 8 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.796 -1.786 18098 4187 1 8 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.753 -0.094 18098 4188 1 8 . 1 1 31 31 ARG H H 31 6.987 6.987 7.448 -0.461 18098 4189 1 8 . 1 1 32 32 LYS N N 32 120.507 120.507 121.199 -0.692 18098 4190 1 8 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.145 0.360 18098 4191 1 8 . 1 1 32 32 LYS C C 32 176.577 176.577 175.529 1.048 18098 4192 1 8 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.830 -1.639 18098 4193 1 8 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.225 -1.155 18098 4194 1 8 . 1 1 32 32 LYS H H 32 7.245 7.245 7.474 -0.229 18098 4195 1 8 . 1 1 33 33 ARG N N 33 119.630 119.630 124.195 -4.565 18098 4196 1 8 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.338 0.138 18098 4197 1 8 . 1 1 33 33 ARG C C 33 177.289 177.289 175.898 1.391 18098 4198 1 8 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.256 -2.867 18098 4199 1 8 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.623 -5.280 18098 4200 1 8 . 1 1 33 33 ARG H H 33 8.831 8.831 8.109 0.722 18098 4201 1 8 . 1 1 34 34 GLY N N 34 107.776 107.776 110.620 -2.844 18098 4202 1 8 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.821 0.092 18098 4203 1 8 . 1 1 34 34 GLY H H 34 8.652 8.652 8.671 -0.019 18098 4204 1 8 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.241 0.105 18098 4205 1 8 . 1 1 35 35 ILE C C 35 175.624 175.624 176.265 -0.641 18098 4206 1 8 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.256 -1.252 18098 4207 1 8 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.099 -1.216 18098 4208 1 8 . 1 1 35 35 ILE H H 35 6.841 6.841 7.112 -0.271 18098 4209 1 8 . 1 1 36 36 LEU N N 36 128.200 128.200 122.958 5.242 18098 4210 1 8 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.072 -0.132 18098 4211 1 8 . 1 1 36 36 LEU C C 36 177.994 177.994 178.850 -0.856 18098 4212 1 8 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.359 0.659 18098 4213 1 8 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.392 1.491 18098 4214 1 8 . 1 1 36 36 LEU H H 36 8.518 8.518 8.545 -0.027 18098 4215 1 8 . 1 1 37 37 GLU N N 37 118.515 118.515 119.230 -0.715 18098 4216 1 8 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.856 -0.316 18098 4217 1 8 . 1 1 37 37 GLU C C 37 179.332 179.332 178.628 0.704 18098 4218 1 8 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.002 2.505 18098 4219 1 8 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.744 -0.009 18098 4220 1 8 . 1 1 37 37 GLU H H 37 9.964 9.964 8.338 1.626 18098 4221 1 8 . 1 1 38 38 THR N N 38 111.283 111.283 114.179 -2.896 18098 4222 1 8 . 1 1 38 38 THR HA H 38 3.867 3.867 4.043 -0.176 18098 4223 1 8 . 1 1 38 38 THR C C 38 175.061 175.061 176.135 -1.074 18098 4224 1 8 . 1 1 38 38 THR CA C 38 65.735 65.735 65.985 -0.250 18098 4225 1 8 . 1 1 38 38 THR CB C 38 67.623 67.623 67.900 -0.276 18098 4226 1 8 . 1 1 38 38 THR H H 38 6.425 6.425 7.648 -1.223 18098 4227 1 8 . 1 1 39 39 ASP N N 39 124.325 124.325 123.524 0.801 18098 4228 1 8 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.310 0.203 18098 4229 1 8 . 1 1 39 39 ASP C C 39 179.225 179.225 178.407 0.818 18098 4230 1 8 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.486 -0.389 18098 4231 1 8 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.742 1.141 18098 4232 1 8 . 1 1 39 39 ASP H H 39 7.997 7.997 7.497 0.500 18098 4233 1 8 . 1 1 40 40 LEU N N 40 118.757 118.757 118.831 -0.074 18098 4234 1 8 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.129 -0.118 18098 4235 1 8 . 1 1 40 40 LEU C C 40 180.528 180.528 179.471 1.057 18098 4236 1 8 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.213 0.879 18098 4237 1 8 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.792 0.006 18098 4238 1 8 . 1 1 40 40 LEU H H 40 8.623 8.623 7.640 0.983 18098 4239 1 8 . 1 1 41 41 LEU N N 41 119.923 119.923 121.418 -1.495 18098 4240 1 8 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.215 0.178 18098 4241 1 8 . 1 1 41 41 LEU C C 41 177.631 177.631 178.512 -0.881 18098 4242 1 8 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.241 0.116 18098 4243 1 8 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.992 1.347 18098 4244 1 8 . 1 1 41 41 LEU H H 41 7.382 7.382 7.388 -0.006 18098 4245 1 8 . 1 1 42 42 LEU N N 42 115.623 115.623 118.074 -2.451 18098 4246 1 8 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.170 0.103 18098 4247 1 8 . 1 1 42 42 LEU C C 42 179.489 179.489 179.642 -0.153 18098 4248 1 8 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.800 -0.230 18098 4249 1 8 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.480 -0.996 18098 4250 1 8 . 1 1 42 42 LEU H H 42 8.963 8.963 8.337 0.626 18098 4251 1 8 . 1 1 43 43 SER N N 43 115.349 115.349 115.413 -0.064 18098 4252 1 8 . 1 1 43 43 SER HA H 43 4.039 4.039 4.245 -0.206 18098 4253 1 8 . 1 1 43 43 SER C C 43 178.200 178.200 177.047 1.153 18098 4254 1 8 . 1 1 43 43 SER CA C 43 62.665 62.665 62.413 0.252 18098 4255 1 8 . 1 1 43 43 SER CB C 43 62.476 62.476 62.905 -0.429 18098 4256 1 8 . 1 1 43 43 SER H H 43 8.535 8.535 8.594 -0.059 18098 4257 1 8 . 1 1 44 44 GLY N N 44 110.034 110.034 109.014 1.020 18098 4258 1 8 . 1 1 44 44 GLY C C 44 175.624 175.624 175.829 -0.205 18098 4259 1 8 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.986 0.158 18098 4260 1 8 . 1 1 44 44 GLY H H 44 7.812 7.812 7.771 0.041 18098 4261 1 8 . 1 1 45 45 PHE N N 45 125.487 125.487 122.653 2.834 18098 4262 1 8 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.321 -0.383 18098 4263 1 8 . 1 1 45 45 PHE C C 45 177.482 177.482 176.292 1.190 18098 4264 1 8 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.799 0.446 18098 4265 1 8 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.904 1.015 18098 4266 1 8 . 1 1 45 45 PHE H H 45 8.542 8.542 7.884 0.658 18098 4267 1 8 . 1 1 46 46 ALA N N 46 121.034 121.034 121.361 -0.327 18098 4268 1 8 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.909 -0.177 18098 4269 1 8 . 1 1 46 46 ALA C C 46 179.916 179.916 179.049 0.867 18098 4270 1 8 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.826 -0.118 18098 4271 1 8 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.288 -0.191 18098 4272 1 8 . 1 1 46 46 ALA H H 46 9.262 9.262 8.371 0.891 18098 4273 1 8 . 1 1 47 47 ALA N N 47 117.642 117.642 120.037 -2.395 18098 4274 1 8 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.105 -0.134 18098 4275 1 8 . 1 1 47 47 ALA C C 47 178.250 178.250 178.717 -0.467 18098 4276 1 8 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.355 0.028 18098 4277 1 8 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.554 -0.353 18098 4278 1 8 . 1 1 47 47 ALA H H 47 7.481 7.481 7.753 -0.272 18098 4279 1 8 . 1 1 48 48 LYS N N 48 115.388 115.388 118.098 -2.710 18098 4280 1 8 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.118 -0.018 18098 4281 1 8 . 1 1 48 48 LYS C C 48 177.845 177.845 178.233 -0.388 18098 4282 1 8 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.622 -0.862 18098 4283 1 8 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.272 0.514 18098 4284 1 8 . 1 1 48 48 LYS H H 48 7.056 7.056 7.477 -0.421 18098 4285 1 8 . 1 1 49 49 TYR N N 49 112.714 112.714 117.751 -5.037 18098 4286 1 8 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.073 0.223 18098 4287 1 8 . 1 1 49 49 TYR C C 49 178.272 178.272 177.843 0.429 18098 4288 1 8 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.344 -1.221 18098 4289 1 8 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.009 2.251 18098 4290 1 8 . 1 1 49 49 TYR H H 49 7.941 7.941 8.172 -0.231 18098 4291 1 8 . 1 1 50 50 LEU N N 50 120.890 120.890 117.270 3.620 18098 4292 1 8 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.972 0.003 18098 4293 1 8 . 1 1 50 50 LEU C C 50 180.108 180.108 177.544 2.564 18098 4294 1 8 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.141 2.568 18098 4295 1 8 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.401 -0.564 18098 4296 1 8 . 1 1 50 50 LEU H H 50 7.945 7.945 7.545 0.400 18098 4297 1 8 . 1 1 51 51 LYS N N 51 115.335 115.335 116.847 -1.512 18098 4298 1 8 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.054 -0.196 18098 4299 1 8 . 1 1 51 51 LYS C C 51 176.051 176.051 177.465 -1.414 18098 4300 1 8 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.322 0.483 18098 4301 1 8 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.049 -0.542 18098 4302 1 8 . 1 1 51 51 LYS H H 51 8.463 8.463 8.126 0.337 18098 4303 1 8 . 1 1 52 52 LYS N N 52 115.175 115.175 115.493 -0.318 18098 4304 1 8 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.456 -0.046 18098 4305 1 8 . 1 1 52 52 LYS C C 52 176.777 176.777 176.469 0.308 18098 4306 1 8 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.753 -0.668 18098 4307 1 8 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.552 -0.436 18098 4308 1 8 . 1 1 52 52 LYS H H 52 7.232 7.232 7.751 -0.519 18098 4309 1 8 . 1 1 53 53 MET N N 53 120.127 120.127 121.307 -1.180 18098 4310 1 8 . 1 1 53 53 MET HA H 53 4.485 4.485 4.235 0.250 18098 4311 1 8 . 1 1 53 53 MET C C 53 176.179 176.179 175.721 0.458 18098 4312 1 8 . 1 1 53 53 MET CA C 53 57.091 57.091 56.055 1.036 18098 4313 1 8 . 1 1 53 53 MET CB C 53 34.125 34.125 33.256 0.869 18098 4314 1 8 . 1 1 53 53 MET H H 53 7.175 7.175 7.673 -0.498 18098 4315 1 8 . 1 1 54 54 ASN N N 54 120.819 120.819 125.269 -4.450 18098 4316 1 8 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.667 0.098 18098 4317 1 8 . 1 1 54 54 ASN C C 54 175.154 175.154 176.270 -1.116 18098 4318 1 8 . 1 1 54 54 ASN CA C 54 50.941 50.941 54.182 -3.241 18098 4319 1 8 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.569 -1.034 18098 4320 1 8 . 1 1 54 54 ASN H H 54 9.045 9.045 8.748 0.297 18098 4321 1 8 . 1 1 55 55 GLU N N 55 116.971 116.971 121.659 -4.688 18098 4322 1 8 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.901 -0.077 18098 4323 1 8 . 1 1 55 55 GLU C C 55 178.122 178.122 178.421 -0.299 18098 4324 1 8 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.650 0.602 18098 4325 1 8 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.397 0.272 18098 4326 1 8 . 1 1 55 55 GLU H H 55 8.891 8.891 8.938 -0.047 18098 4327 1 8 . 1 1 56 56 GLU N N 56 119.652 119.652 117.539 2.113 18098 4328 1 8 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.259 -0.122 18098 4329 1 8 . 1 1 56 56 GLU C C 56 179.937 179.937 179.120 0.817 18098 4330 1 8 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.026 0.790 18098 4331 1 8 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.149 -0.067 18098 4332 1 8 . 1 1 56 56 GLU H H 56 8.366 8.366 8.765 -0.399 18098 4333 1 8 . 1 1 57 57 GLU N N 57 122.119 122.119 119.977 2.142 18098 4334 1 8 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.205 0.060 18098 4335 1 8 . 1 1 57 57 GLU C C 57 179.332 179.332 179.136 0.196 18098 4336 1 8 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.683 0.476 18098 4337 1 8 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.445 -0.145 18098 4338 1 8 . 1 1 57 57 GLU H H 57 8.491 8.491 7.576 0.915 18098 4339 1 8 . 1 1 58 58 LEU N N 58 119.424 119.424 119.537 -0.113 18098 4340 1 8 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.179 -0.043 18098 4341 1 8 . 1 1 58 58 LEU C C 58 179.218 179.218 179.181 0.037 18098 4342 1 8 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.043 -0.358 18098 4343 1 8 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.694 0.156 18098 4344 1 8 . 1 1 58 58 LEU H H 58 8.693 8.693 8.338 0.355 18098 4345 1 8 . 1 1 59 59 GLU N N 59 118.813 118.813 118.438 0.375 18098 4346 1 8 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.113 0.187 18098 4347 1 8 . 1 1 59 59 GLU C C 59 179.361 179.361 179.033 0.328 18098 4348 1 8 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.294 -0.255 18098 4349 1 8 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.216 -0.111 18098 4350 1 8 . 1 1 59 59 GLU H H 59 8.009 8.009 7.962 0.047 18098 4351 1 8 . 1 1 60 60 GLU N N 60 121.472 121.472 120.943 0.529 18098 4352 1 8 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.194 0.062 18098 4353 1 8 . 1 1 60 60 GLU C C 60 178.451 178.451 178.571 -0.120 18098 4354 1 8 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.992 0.657 18098 4355 1 8 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.883 -0.119 18098 4356 1 8 . 1 1 60 60 GLU H H 60 7.867 7.867 7.654 0.213 18098 4357 1 8 . 1 1 61 61 TYR N N 61 121.955 121.955 120.169 1.786 18098 4358 1 8 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.275 -0.141 18098 4359 1 8 . 1 1 61 61 TYR C C 61 176.278 176.278 177.555 -1.277 18098 4360 1 8 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.270 1.901 18098 4361 1 8 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.590 -0.400 18098 4362 1 8 . 1 1 61 61 TYR H H 61 8.675 8.675 7.989 0.686 18098 4363 1 8 . 1 1 62 62 ASP N N 62 118.314 118.314 119.104 -0.790 18098 4364 1 8 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.153 0.110 18098 4365 1 8 . 1 1 62 62 ASP C C 62 178.464 178.464 178.158 0.306 18098 4366 1 8 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.750 -1.005 18098 4367 1 8 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.718 0.827 18098 4368 1 8 . 1 1 62 62 ASP H H 62 8.481 8.481 8.246 0.235 18098 4369 1 8 . 1 1 63 63 SER N N 63 111.380 111.380 115.454 -4.074 18098 4370 1 8 . 1 1 63 63 SER HA H 63 4.361 4.361 4.245 0.116 18098 4371 1 8 . 1 1 63 63 SER C C 63 178.763 178.763 176.102 2.661 18098 4372 1 8 . 1 1 63 63 SER CA C 63 61.824 61.824 61.860 -0.036 18098 4373 1 8 . 1 1 63 63 SER CB C 63 62.830 62.830 63.544 -0.714 18098 4374 1 8 . 1 1 63 63 SER H H 63 7.779 7.779 7.630 0.149 18098 4375 1 8 . 1 1 64 64 LEU N N 64 127.444 127.444 121.315 6.129 18098 4376 1 8 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.182 -0.126 18098 4377 1 8 . 1 1 64 64 LEU C C 64 177.688 177.688 178.426 -0.738 18098 4378 1 8 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.404 0.647 18098 4379 1 8 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.055 -1.880 18098 4380 1 8 . 1 1 64 64 LEU H H 64 8.616 8.616 7.481 1.135 18098 4381 1 8 . 1 1 65 65 LEU N N 65 114.503 114.503 118.664 -4.161 18098 4382 1 8 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.848 -0.080 18098 4383 1 8 . 1 1 65 65 LEU C C 65 178.506 178.506 178.017 0.489 18098 4384 1 8 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.206 -0.841 18098 4385 1 8 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.831 -0.368 18098 4386 1 8 . 1 1 65 65 LEU H H 65 7.700 7.700 8.015 -0.315 18098 4387 1 8 . 1 1 66 66 ASN N N 66 116.208 116.208 115.332 0.876 18098 4388 1 8 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.777 -0.038 18098 4389 1 8 . 1 1 66 66 ASN C C 66 176.008 176.008 175.163 0.845 18098 4390 1 8 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.305 0.581 18098 4391 1 8 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.790 0.469 18098 4392 1 8 . 1 1 66 66 ASN H H 66 7.533 7.533 7.706 -0.173 18098 4393 1 8 . 1 1 67 67 GLU N N 67 120.300 120.300 120.915 -0.615 18098 4394 1 8 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.448 0.041 18098 4395 1 8 . 1 1 67 67 GLU C C 67 175.410 175.410 176.017 -0.607 18098 4396 1 8 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.851 -0.885 18098 4397 1 8 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.676 -2.256 18098 4398 1 8 . 1 1 67 67 GLU H H 67 7.948 7.948 7.490 0.458 18098 4399 1 8 . 1 1 68 68 LEU N N 68 120.037 120.037 121.785 -1.748 18098 4400 1 8 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.229 -0.099 18098 4401 1 8 . 1 1 68 68 LEU C C 68 178.720 178.720 177.954 0.766 18098 4402 1 8 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.902 -0.196 18098 4403 1 8 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.220 -0.712 18098 4404 1 8 . 1 1 68 68 LEU H H 68 9.451 9.451 8.355 1.096 18098 4405 1 8 . 1 1 69 69 ASP N N 69 120.774 120.774 124.537 -3.763 18098 4406 1 8 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.097 0.080 18098 4407 1 8 . 1 1 69 69 ASP C C 69 179.446 179.446 178.263 1.183 18098 4408 1 8 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.510 0.127 18098 4409 1 8 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.380 0.474 18098 4410 1 8 . 1 1 69 69 ASP H H 69 8.445 8.445 8.627 -0.182 18098 4411 1 8 . 1 1 70 70 TRP N N 70 117.865 117.865 120.022 -2.157 18098 4412 1 8 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.071 0.047 18098 4413 1 8 . 1 1 70 70 TRP C C 70 176.983 176.983 177.976 -0.993 18098 4414 1 8 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.874 0.229 18098 4415 1 8 . 1 1 70 70 TRP CB C 70 28.391 28.391 28.809 -0.418 18098 4416 1 8 . 1 1 70 70 TRP H H 70 8.809 8.809 8.071 0.738 18098 4417 1 8 . 1 1 71 71 ASP N N 71 116.993 116.993 118.334 -1.341 18098 4418 1 8 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.994 -0.132 18098 4419 1 8 . 1 1 71 71 ASP C C 71 175.218 175.218 177.661 -2.443 18098 4420 1 8 . 1 1 71 71 ASP CA C 71 57.453 57.453 58.153 -0.700 18098 4421 1 8 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.822 -1.099 18098 4422 1 8 . 1 1 71 71 ASP H H 71 6.134 6.134 8.070 -1.936 18098 4423 1 8 . 1 1 72 72 ILE N N 72 115.361 115.361 119.692 -4.331 18098 4424 1 8 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.276 -0.404 18098 4425 1 8 . 1 1 72 72 ILE C C 72 177.097 177.097 177.567 -0.470 18098 4426 1 8 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.885 1.234 18098 4427 1 8 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.639 0.639 18098 4428 1 8 . 1 1 72 72 ILE H H 72 7.302 7.302 7.139 0.163 18098 4429 1 8 . 1 1 73 73 TYR N N 73 116.121 116.121 120.430 -4.309 18098 4430 1 8 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.925 -0.184 18098 4431 1 8 . 1 1 73 73 TYR C C 73 178.827 178.827 177.208 1.619 18098 4432 1 8 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.913 0.237 18098 4433 1 8 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.358 -0.186 18098 4434 1 8 . 1 1 73 73 TYR H H 73 7.327 7.327 7.285 0.042 18098 4435 1 8 . 1 1 74 74 TYR N N 74 121.029 121.029 118.113 2.916 18098 4436 1 8 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.177 0.099 18098 4437 1 8 . 1 1 74 74 TYR C C 74 178.165 178.165 178.177 -0.012 18098 4438 1 8 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.898 0.379 18098 4439 1 8 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.580 -1.796 18098 4440 1 8 . 1 1 74 74 TYR H H 74 8.922 8.922 7.800 1.122 18098 4441 1 8 . 1 1 75 75 TRP N N 75 121.118 121.118 118.806 2.312 18098 4442 1 8 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.190 0.565 18098 4443 1 8 . 1 1 75 75 TRP C C 75 180.599 180.599 178.801 1.798 18098 4444 1 8 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.287 -1.517 18098 4445 1 8 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.995 0.416 18098 4446 1 8 . 1 1 75 75 TRP H H 75 9.201 9.201 7.905 1.296 18098 4447 1 8 . 1 1 76 76 ALA N N 76 122.129 122.129 119.872 2.257 18098 4448 1 8 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.231 -0.275 18098 4449 1 8 . 1 1 76 76 ALA C C 76 177.546 177.546 179.077 -1.531 18098 4450 1 8 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.141 1.059 18098 4451 1 8 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.885 0.340 18098 4452 1 8 . 1 1 76 76 ALA H H 76 8.761 8.761 7.457 1.304 18098 4453 1 8 . 1 1 77 77 THR N N 77 102.584 102.584 107.731 -5.147 18098 4454 1 8 . 1 1 77 77 THR HA H 77 4.192 4.192 4.173 0.019 18098 4455 1 8 . 1 1 77 77 THR C C 77 173.425 173.425 174.284 -0.859 18098 4456 1 8 . 1 1 77 77 THR CA C 77 60.767 60.767 61.019 -0.252 18098 4457 1 8 . 1 1 77 77 THR CB C 77 69.573 69.573 68.119 1.454 18098 4458 1 8 . 1 1 77 77 THR H H 77 7.411 7.411 7.490 -0.079 18098 4459 1 8 . 1 1 78 78 LYS N N 78 116.069 116.069 116.963 -0.894 18098 4460 1 8 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.373 -0.543 18098 4461 1 8 . 1 1 78 78 LYS C C 78 174.514 174.514 175.331 -0.817 18098 4462 1 8 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.836 -0.594 18098 4463 1 8 . 1 1 78 78 LYS CB C 78 28.333 28.333 31.224 -2.892 18098 4464 1 8 . 1 1 78 78 LYS H H 78 7.420 7.420 7.351 0.069 18098 4465 1 8 . 1 1 79 79 ASN N N 79 120.318 120.318 118.451 1.867 18098 4466 1 8 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.646 0.151 18098 4467 1 8 . 1 1 79 79 ASN C C 79 175.581 175.581 175.055 0.526 18098 4468 1 8 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.659 -1.064 18098 4469 1 8 . 1 1 79 79 ASN CB C 79 36.999 36.999 37.034 -0.035 18098 4470 1 8 . 1 1 79 79 ASN H H 79 8.828 8.828 7.710 1.118 18098 4471 1 8 . 1 1 80 80 PHE N N 80 120.545 120.545 121.234 -0.689 18098 4472 1 8 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.934 -0.066 18098 4473 1 8 . 1 1 80 80 PHE C C 80 177.311 177.311 177.418 -0.107 18098 4474 1 8 . 1 1 80 80 PHE CA C 80 56.745 56.745 59.163 -2.418 18098 4475 1 8 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.808 -0.597 18098 4476 1 8 . 1 1 80 80 PHE H H 80 7.581 7.581 7.755 -0.174 18098 4477 1 8 . 1 1 81 81 LYS N N 81 118.568 118.568 119.180 -0.612 18098 4478 1 8 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.023 0.038 18098 4479 1 8 . 1 1 81 81 LYS C C 81 177.845 177.845 177.880 -0.035 18098 4480 1 8 . 1 1 81 81 LYS CA C 81 58.508 58.508 59.320 -0.812 18098 4481 1 8 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.942 0.149 18098 4482 1 8 . 1 1 81 81 LYS H H 81 7.999 7.999 8.238 -0.239 18098 4483 1 8 . 1 1 82 82 THR N N 82 111.828 111.828 112.072 -0.244 18098 4484 1 8 . 1 1 82 82 THR HA H 82 4.098 4.098 4.166 -0.068 18098 4485 1 8 . 1 1 82 82 THR C C 82 174.556 174.556 174.863 -0.307 18098 4486 1 8 . 1 1 82 82 THR CA C 82 63.796 63.796 63.399 0.397 18098 4487 1 8 . 1 1 82 82 THR CB C 82 68.509 68.509 69.510 -1.000 18098 4488 1 8 . 1 1 82 82 THR H H 82 7.419 7.419 7.789 -0.370 18098 4489 1 8 . 1 1 83 83 SER N N 83 115.546 115.546 118.759 -3.213 18098 4490 1 8 . 1 1 83 83 SER HA H 83 5.000 5.000 5.071 -0.071 18098 4491 1 8 . 1 1 83 83 SER C C 83 170.371 170.371 172.393 -2.022 18098 4492 1 8 . 1 1 83 83 SER CA C 83 54.673 54.673 56.614 -1.941 18098 4493 1 8 . 1 1 83 83 SER CB C 83 63.763 63.763 64.509 -0.746 18098 4494 1 8 . 1 1 83 83 SER H H 83 7.312 7.312 7.573 -0.261 18098 4495 1 8 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.694 -0.139 18098 4496 1 8 . 1 1 84 84 PRO C C 84 176.855 176.855 176.653 0.202 18098 4497 1 8 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.875 -0.335 18098 4498 1 8 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.383 -0.300 18098 4499 1 8 . 1 1 85 85 LEU N N 85 125.147 125.147 123.295 1.852 18098 4500 1 8 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.327 -0.514 18098 4501 1 8 . 1 1 85 85 LEU C C 85 175.168 175.168 175.320 -0.152 18098 4502 1 8 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.338 -0.001 18098 4503 1 8 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.627 0.733 18098 4504 1 8 . 1 1 85 85 LEU H H 85 8.171 8.171 8.356 -0.185 18098 4505 1 8 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.641 -0.133 18098 4506 1 8 . 1 1 86 86 PRO C C 86 177.111 177.111 176.891 0.220 18098 4507 1 8 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.122 0.139 18098 4508 1 8 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.870 -0.095 18098 4509 1 8 . 1 1 87 87 ASP N N 87 123.224 123.224 121.305 1.919 18098 4510 1 8 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.189 -0.034 18098 4511 1 8 . 1 1 87 87 ASP C C 87 178.392 178.392 177.492 0.900 18098 4512 1 8 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.207 0.292 18098 4513 1 8 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.527 -0.407 18098 4514 1 8 . 1 1 87 87 ASP H H 87 8.649 8.649 8.604 0.045 18098 4515 1 8 . 1 1 88 88 LYS N N 88 115.960 115.960 117.575 -1.615 18098 4516 1 8 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.897 -0.066 18098 4517 1 8 . 1 1 88 88 LYS C C 88 176.585 176.585 176.807 -0.222 18098 4518 1 8 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.180 0.079 18098 4519 1 8 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.373 0.360 18098 4520 1 8 . 1 1 88 88 LYS H H 88 8.344 8.344 8.312 0.032 18098 4521 1 8 . 1 1 89 89 TRP N N 89 116.821 116.821 118.470 -1.649 18098 4522 1 8 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.660 0.154 18098 4523 1 8 . 1 1 89 89 TRP C C 89 176.329 176.329 177.854 -1.525 18098 4524 1 8 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.905 -0.758 18098 4525 1 8 . 1 1 89 89 TRP CB C 89 31.502 31.502 29.833 1.669 18098 4526 1 8 . 1 1 89 89 TRP H H 89 7.145 7.145 7.550 -0.405 18098 4527 1 8 . 1 1 90 90 ALA N N 90 122.680 122.680 123.600 -0.920 18098 4528 1 8 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.904 -0.038 18098 4529 1 8 . 1 1 90 90 ALA C C 90 177.965 177.965 177.686 0.279 18098 4530 1 8 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.427 0.284 18098 4531 1 8 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.490 -0.111 18098 4532 1 8 . 1 1 90 90 ALA H H 90 7.456 7.456 8.043 -0.587 18098 4533 1 8 . 1 1 91 91 ASN N N 91 114.054 114.054 112.387 1.667 18098 4534 1 8 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.850 -0.035 18098 4535 1 8 . 1 1 91 91 ASN C C 91 174.727 174.727 174.793 -0.066 18098 4536 1 8 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.576 -0.187 18098 4537 1 8 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.157 -0.450 18098 4538 1 8 . 1 1 91 91 ASN H H 91 8.318 8.318 8.109 0.209 18098 4539 1 8 . 1 1 92 92 SER N N 92 113.359 113.359 117.988 -4.629 18098 4540 1 8 . 1 1 92 92 SER HA H 92 4.649 4.649 4.487 0.162 18098 4541 1 8 . 1 1 92 92 SER C C 92 177.033 177.033 175.196 1.837 18098 4542 1 8 . 1 1 92 92 SER CA C 92 57.599 57.599 59.311 -1.712 18098 4543 1 8 . 1 1 92 92 SER CB C 92 64.454 64.454 64.263 0.191 18098 4544 1 8 . 1 1 92 92 SER H H 92 7.255 7.255 7.505 -0.250 18098 4545 1 8 . 1 1 93 93 LYS N N 93 133.672 133.672 128.964 4.708 18098 4546 1 8 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.103 0.027 18098 4547 1 8 . 1 1 93 93 LYS C C 93 178.763 178.763 178.476 0.287 18098 4548 1 8 . 1 1 93 93 LYS CA C 93 59.129 59.129 58.982 0.147 18098 4549 1 8 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.269 -0.186 18098 4550 1 8 . 1 1 93 93 LYS H H 93 9.608 9.608 8.968 0.640 18098 4551 1 8 . 1 1 94 94 LEU N N 94 122.086 122.086 120.324 1.762 18098 4552 1 8 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.188 0.163 18098 4553 1 8 . 1 1 94 94 LEU C C 94 178.663 178.663 178.634 0.029 18098 4554 1 8 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.466 -1.230 18098 4555 1 8 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.803 -0.642 18098 4556 1 8 . 1 1 94 94 LEU H H 94 8.000 8.000 8.068 -0.068 18098 4557 1 8 . 1 1 95 95 LEU N N 95 118.720 118.720 118.209 0.511 18098 4558 1 8 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.895 0.030 18098 4559 1 8 . 1 1 95 95 LEU C C 95 178.530 178.530 178.528 0.002 18098 4560 1 8 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.042 -0.661 18098 4561 1 8 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.538 -0.614 18098 4562 1 8 . 1 1 95 95 LEU H H 95 7.997 7.997 7.717 0.280 18098 4563 1 8 . 1 1 96 96 LYS N N 96 117.880 117.880 119.127 -1.247 18098 4564 1 8 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.321 -0.065 18098 4565 1 8 . 1 1 96 96 LYS C C 96 179.147 179.147 179.489 -0.342 18098 4566 1 8 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.169 0.293 18098 4567 1 8 . 1 1 96 96 LYS CB C 96 31.920 31.920 31.829 0.090 18098 4568 1 8 . 1 1 96 96 LYS H H 96 7.341 7.341 7.604 -0.263 18098 4569 1 8 . 1 1 97 97 GLN N N 97 119.660 119.660 119.423 0.237 18098 4570 1 8 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.482 -0.288 18098 4571 1 8 . 1 1 97 97 GLN C C 97 179.040 179.040 178.958 0.082 18098 4572 1 8 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.411 0.671 18098 4573 1 8 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.645 0.402 18098 4574 1 8 . 1 1 97 97 GLN H H 97 8.007 8.007 7.867 0.140 18098 4575 1 8 . 1 1 98 98 LEU N N 98 122.983 122.983 121.579 1.404 18098 4576 1 8 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.930 -0.079 18098 4577 1 8 . 1 1 98 98 LEU C C 98 178.841 178.841 178.730 0.111 18098 4578 1 8 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.764 0.317 18098 4579 1 8 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.488 0.408 18098 4580 1 8 . 1 1 98 98 LEU H H 98 8.425 8.425 8.107 0.318 18098 4581 1 8 . 1 1 99 99 GLN N N 99 119.099 119.099 118.570 0.529 18098 4582 1 8 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.188 0.452 18098 4583 1 8 . 1 1 99 99 GLN C C 99 179.660 179.660 178.900 0.760 18098 4584 1 8 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.095 -1.279 18098 4585 1 8 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.725 -1.308 18098 4586 1 8 . 1 1 99 99 GLN H H 99 8.594 8.594 8.302 0.292 18098 4587 1 8 . 1 1 100 100 GLU N N 100 120.803 120.803 120.185 0.618 18098 4588 1 8 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.132 -0.021 18098 4589 1 8 . 1 1 100 100 GLU C C 100 178.870 178.870 179.132 -0.262 18098 4590 1 8 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.296 0.153 18098 4591 1 8 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.746 -0.366 18098 4592 1 8 . 1 1 100 100 GLU H H 100 8.353 8.353 7.945 0.408 18098 4593 1 8 . 1 1 101 101 PHE N N 101 120.752 120.752 120.023 0.729 18098 4594 1 8 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.495 -0.022 18098 4595 1 8 . 1 1 101 101 PHE C C 101 177.289 177.289 177.352 -0.063 18098 4596 1 8 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.385 0.732 18098 4597 1 8 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.665 0.038 18098 4598 1 8 . 1 1 101 101 PHE H H 101 8.544 8.544 8.182 0.362 18098 4599 1 8 . 1 1 102 102 SER N N 102 112.889 112.889 115.508 -2.619 18098 4600 1 8 . 1 1 102 102 SER HA H 102 3.821 3.821 3.978 -0.157 18098 4601 1 8 . 1 1 102 102 SER C C 102 176.414 176.414 176.451 -0.037 18098 4602 1 8 . 1 1 102 102 SER CA C 102 61.123 61.123 61.597 -0.474 18098 4603 1 8 . 1 1 102 102 SER CB C 102 63.193 63.193 63.118 0.075 18098 4604 1 8 . 1 1 102 102 SER H H 102 8.314 8.314 8.256 0.058 18098 4605 1 8 . 1 1 103 103 GLU N N 103 118.066 118.066 117.746 0.320 18098 4606 1 8 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.109 0.005 18098 4607 1 8 . 1 1 103 103 GLU C C 103 177.375 177.375 176.961 0.414 18098 4608 1 8 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.479 -0.678 18098 4609 1 8 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.662 0.364 18098 4610 1 8 . 1 1 103 103 GLU H H 103 7.809 7.809 7.750 0.059 18098 4611 1 8 . 1 1 104 104 ASN N N 104 117.241 117.241 116.507 0.734 18098 4612 1 8 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.919 -0.272 18098 4613 1 8 . 1 1 104 104 ASN C C 104 175.752 175.752 175.089 0.663 18098 4614 1 8 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.045 1.694 18098 4615 1 8 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.475 0.147 18098 4616 1 8 . 1 1 104 104 ASN H H 104 7.917 7.917 7.530 0.387 18098 4617 1 8 . 1 1 105 105 LYS N N 105 121.903 121.903 120.080 1.823 18098 4618 1 8 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.569 0.499 18098 4619 1 8 . 1 1 105 105 LYS C C 105 177.311 177.311 176.886 0.425 18098 4620 1 8 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.819 -1.444 18098 4621 1 8 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.358 -0.321 18098 4622 1 8 . 1 1 105 105 LYS H H 105 8.093 8.093 8.023 0.070 18098 4623 1 8 . 1 1 106 106 GLU N N 106 119.595 119.595 115.157 4.438 18098 4624 1 8 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.360 -0.091 18098 4625 1 8 . 1 1 106 106 GLU C C 106 176.585 176.585 175.588 0.997 18098 4626 1 8 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.396 0.295 18098 4627 1 8 . 1 1 106 106 GLU CB C 106 29.700 29.700 31.878 -2.178 18098 4628 1 8 . 1 1 106 106 GLU H H 106 8.200 8.200 8.508 -0.308 18098 4629 1 8 . 1 1 107 107 LYS N N 107 120.538 120.538 121.356 -0.818 18098 4630 1 8 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.555 -0.288 18098 4631 1 8 . 1 1 107 107 LYS C C 107 176.435 176.435 174.923 1.512 18098 4632 1 8 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.337 0.115 18098 4633 1 8 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.966 1.144 18098 4634 1 8 . 1 1 107 107 LYS H H 107 7.838 7.838 8.172 -0.334 18098 4635 1 8 . 1 1 108 108 GLU N N 108 122.869 122.869 124.428 -1.559 18098 4636 1 8 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.671 -0.354 18098 4637 1 8 . 1 1 108 108 GLU C C 108 175.403 175.403 175.244 0.159 18098 4638 1 8 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.787 0.778 18098 4639 1 8 . 1 1 108 108 GLU CB C 108 30.057 30.057 31.102 -1.045 18098 4640 1 8 . 1 1 108 108 GLU H H 108 8.313 8.313 8.577 -0.264 18098 4641 1 9 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.628 0.014 18098 4642 1 9 . 1 1 10 10 HIS C C 10 174.891 174.891 174.567 0.324 18098 4643 1 9 . 1 1 10 10 HIS CA C 10 56.030 56.030 56.727 -0.697 18098 4644 1 9 . 1 1 10 10 HIS CB C 10 30.113 30.113 29.487 0.626 18098 4645 1 9 . 1 1 11 11 MET N N 11 121.211 121.211 125.384 -4.173 18098 4646 1 9 . 1 1 11 11 MET HA H 11 4.417 4.417 4.635 -0.218 18098 4647 1 9 . 1 1 11 11 MET C C 11 175.709 175.709 175.270 0.439 18098 4648 1 9 . 1 1 11 11 MET CA C 11 55.405 55.405 55.333 0.072 18098 4649 1 9 . 1 1 11 11 MET CB C 11 32.776 32.776 33.112 -0.336 18098 4650 1 9 . 1 1 11 11 MET H H 11 8.179 8.179 8.735 -0.556 18098 4651 1 9 . 1 1 12 12 ILE N N 12 122.511 122.511 125.388 -2.877 18098 4652 1 9 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.290 -0.167 18098 4653 1 9 . 1 1 12 12 ILE C C 12 175.809 175.809 175.487 0.322 18098 4654 1 9 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.406 -0.604 18098 4655 1 9 . 1 1 12 12 ILE CB C 12 38.531 38.531 37.220 1.311 18098 4656 1 9 . 1 1 12 12 ILE H H 12 8.088 8.088 8.444 -0.356 18098 4657 1 9 . 1 1 13 13 LYS N N 13 126.072 126.072 125.380 0.692 18098 4658 1 9 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.348 -0.020 18098 4659 1 9 . 1 1 13 13 LYS C C 13 176.108 176.108 176.629 -0.521 18098 4660 1 9 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.411 -0.358 18098 4661 1 9 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.544 -0.629 18098 4662 1 9 . 1 1 13 13 LYS H H 13 8.381 8.381 8.430 -0.049 18098 4663 1 9 . 1 1 14 14 ARG N N 14 123.714 123.714 122.404 1.310 18098 4664 1 9 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.320 0.124 18098 4665 1 9 . 1 1 14 14 ARG C C 14 176.428 176.428 175.794 0.634 18098 4666 1 9 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.767 -1.025 18098 4667 1 9 . 1 1 14 14 ARG CB C 14 30.781 30.781 29.806 0.975 18098 4668 1 9 . 1 1 14 14 ARG H H 14 8.484 8.484 8.206 0.278 18098 4669 1 9 . 1 1 15 15 THR N N 15 115.338 115.338 121.133 -5.795 18098 4670 1 9 . 1 1 15 15 THR HA H 15 4.367 4.367 4.625 -0.258 18098 4671 1 9 . 1 1 15 15 THR C C 15 174.172 174.172 173.622 0.550 18098 4672 1 9 . 1 1 15 15 THR CA C 15 61.501 61.501 61.343 0.158 18098 4673 1 9 . 1 1 15 15 THR CB C 15 69.868 69.868 70.298 -0.430 18098 4674 1 9 . 1 1 15 15 THR H H 15 8.279 8.279 8.410 -0.131 18098 4675 1 9 . 1 1 16 16 ASN N N 16 120.727 120.727 119.060 1.667 18098 4676 1 9 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.409 0.269 18098 4677 1 9 . 1 1 16 16 ASN C C 16 174.482 174.482 173.988 0.494 18098 4678 1 9 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.697 -0.625 18098 4679 1 9 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.556 -0.175 18098 4680 1 9 . 1 1 16 16 ASN H H 16 8.612 8.612 8.477 0.135 18098 4681 1 9 . 1 1 17 17 GLU N N 17 123.790 123.790 119.156 4.634 18098 4682 1 9 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.166 0.435 18098 4683 1 9 . 1 1 17 17 GLU C C 17 173.823 173.823 174.143 -0.320 18098 4684 1 9 . 1 1 17 17 GLU CA C 17 53.965 53.965 56.501 -2.536 18098 4685 1 9 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.219 2.544 18098 4686 1 9 . 1 1 17 17 GLU H H 17 8.113 8.113 8.578 -0.465 18098 4687 1 9 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.422 0.093 18098 4688 1 9 . 1 1 18 18 PRO C C 18 177.709 177.709 177.058 0.651 18098 4689 1 9 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.337 0.428 18098 4690 1 9 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.435 0.046 18098 4691 1 9 . 1 1 19 19 LEU N N 19 123.760 123.760 124.293 -0.533 18098 4692 1 9 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.014 -0.008 18098 4693 1 9 . 1 1 19 19 LEU C C 19 178.307 178.307 178.711 -0.404 18098 4694 1 9 . 1 1 19 19 LEU CA C 19 58.463 58.463 58.391 0.072 18098 4695 1 9 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.057 0.741 18098 4696 1 9 . 1 1 19 19 LEU H H 19 8.720 8.720 8.633 0.087 18098 4697 1 9 . 1 1 20 20 ASP N N 20 115.650 115.650 119.043 -3.393 18098 4698 1 9 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.360 0.001 18098 4699 1 9 . 1 1 20 20 ASP C C 20 179.531 179.531 178.756 0.775 18098 4700 1 9 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.956 -0.869 18098 4701 1 9 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.203 -0.882 18098 4702 1 9 . 1 1 20 20 ASP H H 20 8.829 8.829 8.822 0.007 18098 4703 1 9 . 1 1 21 21 LYS N N 21 121.462 121.462 119.114 2.348 18098 4704 1 9 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.164 -0.032 18098 4705 1 9 . 1 1 21 21 LYS C C 21 178.421 178.421 178.668 -0.247 18098 4706 1 9 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.626 -0.343 18098 4707 1 9 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.441 -0.462 18098 4708 1 9 . 1 1 21 21 LYS H H 21 7.352 7.352 7.565 -0.213 18098 4709 1 9 . 1 1 22 22 LYS N N 22 123.296 123.296 121.224 2.072 18098 4710 1 9 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.302 -0.312 18098 4711 1 9 . 1 1 22 22 LYS C C 22 178.179 178.179 178.897 -0.718 18098 4712 1 9 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.392 0.462 18098 4713 1 9 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.453 0.334 18098 4714 1 9 . 1 1 22 22 LYS H H 22 8.407 8.407 8.404 0.003 18098 4715 1 9 . 1 1 23 23 ARG N N 23 116.950 116.950 118.990 -2.040 18098 4716 1 9 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.012 -0.278 18098 4717 1 9 . 1 1 23 23 ARG C C 23 177.460 177.460 178.507 -1.047 18098 4718 1 9 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.414 1.091 18098 4719 1 9 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.029 0.238 18098 4720 1 9 . 1 1 23 23 ARG H H 23 8.594 8.594 8.036 0.558 18098 4721 1 9 . 1 1 24 24 ALA N N 24 118.391 118.391 121.553 -3.162 18098 4722 1 9 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.115 -0.071 18098 4723 1 9 . 1 1 24 24 ALA C C 24 180.514 180.514 179.751 0.763 18098 4724 1 9 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.151 -0.082 18098 4725 1 9 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.174 -0.240 18098 4726 1 9 . 1 1 24 24 ALA H H 24 7.505 7.505 7.778 -0.273 18098 4727 1 9 . 1 1 25 25 ARG N N 25 120.413 120.413 119.147 1.266 18098 4728 1 9 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.257 -0.050 18098 4729 1 9 . 1 1 25 25 ARG C C 25 178.058 178.058 178.774 -0.716 18098 4730 1 9 . 1 1 25 25 ARG CA C 25 59.393 59.393 58.835 0.558 18098 4731 1 9 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.246 -0.634 18098 4732 1 9 . 1 1 25 25 ARG H H 25 8.291 8.291 7.979 0.312 18098 4733 1 9 . 1 1 26 26 LEU N N 26 119.205 119.205 120.414 -1.209 18098 4734 1 9 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.195 -0.050 18098 4735 1 9 . 1 1 26 26 LEU C C 26 180.642 180.642 179.449 1.193 18098 4736 1 9 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.911 -0.136 18098 4737 1 9 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.259 -0.559 18098 4738 1 9 . 1 1 26 26 LEU H H 26 8.305 8.305 8.164 0.141 18098 4739 1 9 . 1 1 27 27 ILE N N 27 123.643 123.643 118.559 5.084 18098 4740 1 9 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.833 -0.232 18098 4741 1 9 . 1 1 27 27 ILE C C 27 177.716 177.716 178.741 -1.025 18098 4742 1 9 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.122 1.030 18098 4743 1 9 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.753 0.088 18098 4744 1 9 . 1 1 27 27 ILE H H 27 8.488 8.488 8.424 0.064 18098 4745 1 9 . 1 1 28 28 TYR N N 28 121.443 121.443 121.138 0.305 18098 4746 1 9 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.066 0.149 18098 4747 1 9 . 1 1 28 28 TYR C C 28 178.656 178.656 177.367 1.289 18098 4748 1 9 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.727 -0.284 18098 4749 1 9 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.399 -0.565 18098 4750 1 9 . 1 1 28 28 TYR H H 28 7.832 7.832 7.984 -0.152 18098 4751 1 9 . 1 1 29 29 GLN N N 29 115.999 115.999 116.369 -0.370 18098 4752 1 9 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.813 0.048 18098 4753 1 9 . 1 1 29 29 GLN C C 29 178.537 178.537 177.809 0.728 18098 4754 1 9 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.357 0.840 18098 4755 1 9 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.569 0.719 18098 4756 1 9 . 1 1 29 29 GLN H H 29 8.965 8.965 7.985 0.980 18098 4757 1 9 . 1 1 30 30 SER N N 30 115.599 115.599 115.010 0.589 18098 4758 1 9 . 1 1 30 30 SER HA H 30 4.100 4.100 4.318 -0.218 18098 4759 1 9 . 1 1 30 30 SER C C 30 171.004 171.004 176.072 -5.068 18098 4760 1 9 . 1 1 30 30 SER CA C 30 61.818 61.818 61.271 0.547 18098 4761 1 9 . 1 1 30 30 SER CB C 30 63.196 63.196 63.492 -0.296 18098 4762 1 9 . 1 1 30 30 SER H H 30 7.643 7.643 7.965 -0.322 18098 4763 1 9 . 1 1 31 31 ARG N N 31 114.000 114.000 119.345 -5.345 18098 4764 1 9 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.801 -0.175 18098 4765 1 9 . 1 1 31 31 ARG C C 31 176.556 176.556 176.679 -0.123 18098 4766 1 9 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.666 -1.656 18098 4767 1 9 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.954 -0.295 18098 4768 1 9 . 1 1 31 31 ARG H H 31 6.987 6.987 7.438 -0.451 18098 4769 1 9 . 1 1 32 32 LYS N N 32 120.507 120.507 121.100 -0.593 18098 4770 1 9 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.171 0.334 18098 4771 1 9 . 1 1 32 32 LYS C C 32 176.577 176.577 175.302 1.275 18098 4772 1 9 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.648 -1.457 18098 4773 1 9 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.133 -1.063 18098 4774 1 9 . 1 1 32 32 LYS H H 32 7.245 7.245 7.612 -0.367 18098 4775 1 9 . 1 1 33 33 ARG N N 33 119.630 119.630 123.156 -3.526 18098 4776 1 9 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.425 0.051 18098 4777 1 9 . 1 1 33 33 ARG C C 33 177.289 177.289 175.689 1.600 18098 4778 1 9 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.544 -2.155 18098 4779 1 9 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.981 -5.638 18098 4780 1 9 . 1 1 33 33 ARG H H 33 8.831 8.831 8.138 0.693 18098 4781 1 9 . 1 1 34 34 GLY N N 34 107.776 107.776 109.267 -1.491 18098 4782 1 9 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.706 0.206 18098 4783 1 9 . 1 1 34 34 GLY H H 34 8.652 8.652 8.769 -0.117 18098 4784 1 9 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.316 0.030 18098 4785 1 9 . 1 1 35 35 ILE C C 35 175.624 175.624 176.583 -0.959 18098 4786 1 9 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.804 -1.800 18098 4787 1 9 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.997 -1.114 18098 4788 1 9 . 1 1 35 35 ILE H H 35 6.841 6.841 7.448 -0.607 18098 4789 1 9 . 1 1 36 36 LEU N N 36 128.200 128.200 124.516 3.684 18098 4790 1 9 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.125 -0.185 18098 4791 1 9 . 1 1 36 36 LEU C C 36 177.994 177.994 178.788 -0.794 18098 4792 1 9 . 1 1 36 36 LEU CA C 36 58.018 58.018 56.744 1.274 18098 4793 1 9 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.454 1.429 18098 4794 1 9 . 1 1 36 36 LEU H H 36 8.518 8.518 8.652 -0.134 18098 4795 1 9 . 1 1 37 37 GLU N N 37 118.515 118.515 119.232 -0.717 18098 4796 1 9 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.895 -0.355 18098 4797 1 9 . 1 1 37 37 GLU C C 37 179.332 179.332 178.142 1.190 18098 4798 1 9 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.367 2.140 18098 4799 1 9 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.659 -0.924 18098 4800 1 9 . 1 1 37 37 GLU H H 37 9.964 9.964 8.440 1.524 18098 4801 1 9 . 1 1 38 38 THR N N 38 111.283 111.283 114.290 -3.007 18098 4802 1 9 . 1 1 38 38 THR HA H 38 3.867 3.867 3.979 -0.112 18098 4803 1 9 . 1 1 38 38 THR C C 38 175.061 175.061 175.957 -0.896 18098 4804 1 9 . 1 1 38 38 THR CA C 38 65.735 65.735 66.491 -0.756 18098 4805 1 9 . 1 1 38 38 THR CB C 38 67.623 67.623 67.894 -0.271 18098 4806 1 9 . 1 1 38 38 THR H H 38 6.425 6.425 7.689 -1.264 18098 4807 1 9 . 1 1 39 39 ASP N N 39 124.325 124.325 123.322 1.003 18098 4808 1 9 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.564 -0.051 18098 4809 1 9 . 1 1 39 39 ASP C C 39 179.225 179.225 178.197 1.028 18098 4810 1 9 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.130 -0.032 18098 4811 1 9 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.760 1.123 18098 4812 1 9 . 1 1 39 39 ASP H H 39 7.997 7.997 7.590 0.407 18098 4813 1 9 . 1 1 40 40 LEU N N 40 118.757 118.757 119.379 -0.622 18098 4814 1 9 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.059 -0.048 18098 4815 1 9 . 1 1 40 40 LEU C C 40 180.528 180.528 179.480 1.048 18098 4816 1 9 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.359 0.733 18098 4817 1 9 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.778 0.020 18098 4818 1 9 . 1 1 40 40 LEU H H 40 8.623 8.623 7.730 0.893 18098 4819 1 9 . 1 1 41 41 LEU N N 41 119.923 119.923 120.907 -0.984 18098 4820 1 9 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.202 0.191 18098 4821 1 9 . 1 1 41 41 LEU C C 41 177.631 177.631 178.481 -0.850 18098 4822 1 9 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.190 0.167 18098 4823 1 9 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.975 1.364 18098 4824 1 9 . 1 1 41 41 LEU H H 41 7.382 7.382 7.552 -0.170 18098 4825 1 9 . 1 1 42 42 LEU N N 42 115.623 115.623 117.640 -2.017 18098 4826 1 9 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.124 0.149 18098 4827 1 9 . 1 1 42 42 LEU C C 42 179.489 179.489 179.321 0.168 18098 4828 1 9 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.655 -0.086 18098 4829 1 9 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.421 -0.937 18098 4830 1 9 . 1 1 42 42 LEU H H 42 8.963 8.963 8.179 0.784 18098 4831 1 9 . 1 1 43 43 SER N N 43 115.349 115.349 115.553 -0.204 18098 4832 1 9 . 1 1 43 43 SER HA H 43 4.039 4.039 4.280 -0.241 18098 4833 1 9 . 1 1 43 43 SER C C 43 178.200 178.200 177.119 1.081 18098 4834 1 9 . 1 1 43 43 SER CA C 43 62.665 62.665 61.760 0.906 18098 4835 1 9 . 1 1 43 43 SER CB C 43 62.476 62.476 62.959 -0.483 18098 4836 1 9 . 1 1 43 43 SER H H 43 8.535 8.535 8.780 -0.245 18098 4837 1 9 . 1 1 44 44 GLY N N 44 110.034 110.034 109.157 0.877 18098 4838 1 9 . 1 1 44 44 GLY C C 44 175.624 175.624 175.828 -0.204 18098 4839 1 9 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.999 0.145 18098 4840 1 9 . 1 1 44 44 GLY H H 44 7.812 7.812 7.733 0.079 18098 4841 1 9 . 1 1 45 45 PHE N N 45 125.487 125.487 122.809 2.678 18098 4842 1 9 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.249 -0.311 18098 4843 1 9 . 1 1 45 45 PHE C C 45 177.482 177.482 176.443 1.039 18098 4844 1 9 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.566 0.680 18098 4845 1 9 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.894 1.025 18098 4846 1 9 . 1 1 45 45 PHE H H 45 8.542 8.542 7.867 0.675 18098 4847 1 9 . 1 1 46 46 ALA N N 46 121.034 121.034 121.189 -0.155 18098 4848 1 9 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.699 0.033 18098 4849 1 9 . 1 1 46 46 ALA C C 46 179.916 179.916 179.385 0.531 18098 4850 1 9 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.978 -0.270 18098 4851 1 9 . 1 1 46 46 ALA CB C 46 18.097 18.097 17.965 0.132 18098 4852 1 9 . 1 1 46 46 ALA H H 46 9.262 9.262 8.189 1.073 18098 4853 1 9 . 1 1 47 47 ALA N N 47 117.642 117.642 120.187 -2.545 18098 4854 1 9 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.022 -0.051 18098 4855 1 9 . 1 1 47 47 ALA C C 47 178.250 178.250 178.989 -0.739 18098 4856 1 9 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.816 -0.433 18098 4857 1 9 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.391 -0.190 18098 4858 1 9 . 1 1 47 47 ALA H H 47 7.481 7.481 7.868 -0.387 18098 4859 1 9 . 1 1 48 48 LYS N N 48 115.388 115.388 118.230 -2.842 18098 4860 1 9 . 1 1 48 48 LYS HA H 48 4.100 4.100 3.982 0.118 18098 4861 1 9 . 1 1 48 48 LYS C C 48 177.845 177.845 178.806 -0.961 18098 4862 1 9 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.757 -0.997 18098 4863 1 9 . 1 1 48 48 LYS CB C 48 33.786 33.786 32.586 1.200 18098 4864 1 9 . 1 1 48 48 LYS H H 48 7.056 7.056 7.505 -0.449 18098 4865 1 9 . 1 1 49 49 TYR N N 49 112.714 112.714 117.499 -4.785 18098 4866 1 9 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.079 0.217 18098 4867 1 9 . 1 1 49 49 TYR C C 49 178.272 178.272 178.081 0.191 18098 4868 1 9 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.056 -0.932 18098 4869 1 9 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.263 1.997 18098 4870 1 9 . 1 1 49 49 TYR H H 49 7.941 7.941 7.775 0.166 18098 4871 1 9 . 1 1 50 50 LEU N N 50 120.890 120.890 119.504 1.386 18098 4872 1 9 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.742 0.233 18098 4873 1 9 . 1 1 50 50 LEU C C 50 180.108 180.108 178.620 1.488 18098 4874 1 9 . 1 1 50 50 LEU CA C 50 59.709 59.709 58.365 1.344 18098 4875 1 9 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.180 -0.343 18098 4876 1 9 . 1 1 50 50 LEU H H 50 7.945 7.945 7.613 0.332 18098 4877 1 9 . 1 1 51 51 LYS N N 51 115.335 115.335 116.053 -0.718 18098 4878 1 9 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.866 -0.008 18098 4879 1 9 . 1 1 51 51 LYS C C 51 176.051 176.051 178.117 -2.066 18098 4880 1 9 . 1 1 51 51 LYS CA C 51 58.805 58.805 59.175 -0.370 18098 4881 1 9 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.200 -0.693 18098 4882 1 9 . 1 1 51 51 LYS H H 51 8.463 8.463 8.202 0.261 18098 4883 1 9 . 1 1 52 52 LYS N N 52 115.175 115.175 115.148 0.027 18098 4884 1 9 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.230 0.180 18098 4885 1 9 . 1 1 52 52 LYS C C 52 176.777 176.777 177.023 -0.246 18098 4886 1 9 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.457 -1.372 18098 4887 1 9 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.884 0.232 18098 4888 1 9 . 1 1 52 52 LYS H H 52 7.232 7.232 7.407 -0.175 18098 4889 1 9 . 1 1 53 53 MET N N 53 120.127 120.127 120.748 -0.621 18098 4890 1 9 . 1 1 53 53 MET HA H 53 4.485 4.485 4.629 -0.144 18098 4891 1 9 . 1 1 53 53 MET C C 53 176.179 176.179 175.322 0.857 18098 4892 1 9 . 1 1 53 53 MET CA C 53 57.091 57.091 55.763 1.328 18098 4893 1 9 . 1 1 53 53 MET CB C 53 34.125 34.125 34.292 -0.167 18098 4894 1 9 . 1 1 53 53 MET H H 53 7.175 7.175 7.567 -0.392 18098 4895 1 9 . 1 1 54 54 ASN N N 54 120.819 120.819 122.518 -1.699 18098 4896 1 9 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.968 -0.203 18098 4897 1 9 . 1 1 54 54 ASN C C 54 175.154 175.154 175.657 -0.503 18098 4898 1 9 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.184 -1.243 18098 4899 1 9 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.681 -1.146 18098 4900 1 9 . 1 1 54 54 ASN H H 54 9.045 9.045 8.825 0.220 18098 4901 1 9 . 1 1 55 55 GLU N N 55 116.971 116.971 121.292 -4.321 18098 4902 1 9 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.992 -0.168 18098 4903 1 9 . 1 1 55 55 GLU C C 55 178.122 178.122 178.043 0.079 18098 4904 1 9 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.445 0.807 18098 4905 1 9 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.649 0.020 18098 4906 1 9 . 1 1 55 55 GLU H H 55 8.891 8.891 8.931 -0.040 18098 4907 1 9 . 1 1 56 56 GLU N N 56 119.652 119.652 115.732 3.920 18098 4908 1 9 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.380 -0.243 18098 4909 1 9 . 1 1 56 56 GLU C C 56 179.937 179.937 178.076 1.861 18098 4910 1 9 . 1 1 56 56 GLU CA C 56 59.816 59.816 58.804 1.012 18098 4911 1 9 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.021 0.061 18098 4912 1 9 . 1 1 56 56 GLU H H 56 8.366 8.366 8.765 -0.399 18098 4913 1 9 . 1 1 57 57 GLU N N 57 122.119 122.119 119.489 2.630 18098 4914 1 9 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.283 -0.018 18098 4915 1 9 . 1 1 57 57 GLU C C 57 179.332 179.332 179.067 0.265 18098 4916 1 9 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.216 0.943 18098 4917 1 9 . 1 1 57 57 GLU CB C 57 29.300 29.300 30.057 -0.757 18098 4918 1 9 . 1 1 57 57 GLU H H 57 8.491 8.491 7.586 0.905 18098 4919 1 9 . 1 1 58 58 LEU N N 58 119.424 119.424 119.257 0.167 18098 4920 1 9 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.139 -0.003 18098 4921 1 9 . 1 1 58 58 LEU C C 58 179.218 179.218 179.140 0.078 18098 4922 1 9 . 1 1 58 58 LEU CA C 58 57.685 57.685 57.677 0.008 18098 4923 1 9 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.566 0.283 18098 4924 1 9 . 1 1 58 58 LEU H H 58 8.693 8.693 8.450 0.243 18098 4925 1 9 . 1 1 59 59 GLU N N 59 118.813 118.813 118.330 0.483 18098 4926 1 9 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.036 0.264 18098 4927 1 9 . 1 1 59 59 GLU C C 59 179.361 179.361 178.887 0.474 18098 4928 1 9 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.150 -0.111 18098 4929 1 9 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.843 0.262 18098 4930 1 9 . 1 1 59 59 GLU H H 59 8.009 8.009 8.423 -0.414 18098 4931 1 9 . 1 1 60 60 GLU N N 60 121.472 121.472 120.384 1.088 18098 4932 1 9 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.166 0.090 18098 4933 1 9 . 1 1 60 60 GLU C C 60 178.451 178.451 178.479 -0.028 18098 4934 1 9 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.565 1.085 18098 4935 1 9 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.921 -0.157 18098 4936 1 9 . 1 1 60 60 GLU H H 60 7.867 7.867 7.772 0.095 18098 4937 1 9 . 1 1 61 61 TYR N N 61 121.955 121.955 120.146 1.809 18098 4938 1 9 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.336 -0.202 18098 4939 1 9 . 1 1 61 61 TYR C C 61 176.278 176.278 177.405 -1.127 18098 4940 1 9 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.073 1.098 18098 4941 1 9 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.705 -0.515 18098 4942 1 9 . 1 1 61 61 TYR H H 61 8.675 8.675 7.665 1.010 18098 4943 1 9 . 1 1 62 62 ASP N N 62 118.314 118.314 118.287 0.027 18098 4944 1 9 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.334 -0.071 18098 4945 1 9 . 1 1 62 62 ASP C C 62 178.464 178.464 177.401 1.063 18098 4946 1 9 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.588 -0.843 18098 4947 1 9 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.827 0.718 18098 4948 1 9 . 1 1 62 62 ASP H H 62 8.481 8.481 8.201 0.280 18098 4949 1 9 . 1 1 63 63 SER N N 63 111.380 111.380 113.726 -2.346 18098 4950 1 9 . 1 1 63 63 SER HA H 63 4.361 4.361 4.389 -0.028 18098 4951 1 9 . 1 1 63 63 SER C C 63 178.763 178.763 176.701 2.062 18098 4952 1 9 . 1 1 63 63 SER CA C 63 61.824 61.824 60.702 1.122 18098 4953 1 9 . 1 1 63 63 SER CB C 63 62.830 62.830 63.118 -0.288 18098 4954 1 9 . 1 1 63 63 SER H H 63 7.779 7.779 7.682 0.097 18098 4955 1 9 . 1 1 64 64 LEU N N 64 127.444 127.444 123.999 3.445 18098 4956 1 9 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.232 -0.176 18098 4957 1 9 . 1 1 64 64 LEU C C 64 177.688 177.688 177.865 -0.177 18098 4958 1 9 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.327 0.724 18098 4959 1 9 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.767 -1.592 18098 4960 1 9 . 1 1 64 64 LEU H H 64 8.616 8.616 7.322 1.294 18098 4961 1 9 . 1 1 65 65 LEU N N 65 114.503 114.503 117.496 -2.993 18098 4962 1 9 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.913 -0.145 18098 4963 1 9 . 1 1 65 65 LEU C C 65 178.506 178.506 177.835 0.671 18098 4964 1 9 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.831 -0.466 18098 4965 1 9 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.770 -0.307 18098 4966 1 9 . 1 1 65 65 LEU H H 65 7.700 7.700 7.511 0.189 18098 4967 1 9 . 1 1 66 66 ASN N N 66 116.208 116.208 115.321 0.887 18098 4968 1 9 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.687 0.052 18098 4969 1 9 . 1 1 66 66 ASN C C 66 176.008 176.008 175.817 0.191 18098 4970 1 9 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.629 0.257 18098 4971 1 9 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.461 0.798 18098 4972 1 9 . 1 1 66 66 ASN H H 66 7.533 7.533 7.596 -0.063 18098 4973 1 9 . 1 1 67 67 GLU N N 67 120.300 120.300 119.782 0.518 18098 4974 1 9 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.550 -0.061 18098 4975 1 9 . 1 1 67 67 GLU C C 67 175.410 175.410 175.829 -0.419 18098 4976 1 9 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.018 -0.052 18098 4977 1 9 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.804 -2.384 18098 4978 1 9 . 1 1 67 67 GLU H H 67 7.948 7.948 7.548 0.400 18098 4979 1 9 . 1 1 68 68 LEU N N 68 120.037 120.037 121.583 -1.546 18098 4980 1 9 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.295 -0.165 18098 4981 1 9 . 1 1 68 68 LEU C C 68 178.720 178.720 177.803 0.917 18098 4982 1 9 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.572 0.134 18098 4983 1 9 . 1 1 68 68 LEU CB C 68 41.508 41.508 41.888 -0.380 18098 4984 1 9 . 1 1 68 68 LEU H H 68 9.451 9.451 8.386 1.065 18098 4985 1 9 . 1 1 69 69 ASP N N 69 120.774 120.774 125.757 -4.983 18098 4986 1 9 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.087 0.090 18098 4987 1 9 . 1 1 69 69 ASP C C 69 179.446 179.446 178.106 1.340 18098 4988 1 9 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.767 -0.130 18098 4989 1 9 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.293 0.561 18098 4990 1 9 . 1 1 69 69 ASP H H 69 8.445 8.445 8.786 -0.341 18098 4991 1 9 . 1 1 70 70 TRP N N 70 117.865 117.865 118.047 -0.182 18098 4992 1 9 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.020 0.098 18098 4993 1 9 . 1 1 70 70 TRP C C 70 176.983 176.983 178.001 -1.018 18098 4994 1 9 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.982 0.121 18098 4995 1 9 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.024 -0.633 18098 4996 1 9 . 1 1 70 70 TRP H H 70 8.809 8.809 7.909 0.900 18098 4997 1 9 . 1 1 71 71 ASP N N 71 116.993 116.993 119.362 -2.369 18098 4998 1 9 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.994 -0.132 18098 4999 1 9 . 1 1 71 71 ASP C C 71 175.218 175.218 177.737 -2.519 18098 5000 1 9 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.421 0.032 18098 5001 1 9 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.822 -1.099 18098 5002 1 9 . 1 1 71 71 ASP H H 71 6.134 6.134 7.422 -1.288 18098 5003 1 9 . 1 1 72 72 ILE N N 72 115.361 115.361 120.120 -4.759 18098 5004 1 9 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.332 -0.460 18098 5005 1 9 . 1 1 72 72 ILE C C 72 177.097 177.097 177.547 -0.450 18098 5006 1 9 . 1 1 72 72 ILE CA C 72 66.119 66.119 65.021 1.098 18098 5007 1 9 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.690 0.589 18098 5008 1 9 . 1 1 72 72 ILE H H 72 7.302 7.302 7.771 -0.469 18098 5009 1 9 . 1 1 73 73 TYR N N 73 116.121 116.121 120.529 -4.408 18098 5010 1 9 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.893 -0.152 18098 5011 1 9 . 1 1 73 73 TYR C C 73 178.827 178.827 177.332 1.495 18098 5012 1 9 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.884 0.266 18098 5013 1 9 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.304 -0.132 18098 5014 1 9 . 1 1 73 73 TYR H H 73 7.327 7.327 7.720 -0.393 18098 5015 1 9 . 1 1 74 74 TYR N N 74 121.029 121.029 118.313 2.716 18098 5016 1 9 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.208 0.068 18098 5017 1 9 . 1 1 74 74 TYR C C 74 178.165 178.165 178.121 0.044 18098 5018 1 9 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.663 0.614 18098 5019 1 9 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.696 -1.912 18098 5020 1 9 . 1 1 74 74 TYR H H 74 8.922 8.922 7.771 1.151 18098 5021 1 9 . 1 1 75 75 TRP N N 75 121.118 121.118 118.925 2.193 18098 5022 1 9 . 1 1 75 75 TRP HA H 75 4.755 4.755 3.923 0.832 18098 5023 1 9 . 1 1 75 75 TRP C C 75 180.599 180.599 178.880 1.719 18098 5024 1 9 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.172 -1.402 18098 5025 1 9 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.910 0.500 18098 5026 1 9 . 1 1 75 75 TRP H H 75 9.201 9.201 8.105 1.096 18098 5027 1 9 . 1 1 76 76 ALA N N 76 122.129 122.129 120.206 1.923 18098 5028 1 9 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.156 -0.200 18098 5029 1 9 . 1 1 76 76 ALA C C 76 177.546 177.546 178.781 -1.235 18098 5030 1 9 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.383 0.817 18098 5031 1 9 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.721 0.504 18098 5032 1 9 . 1 1 76 76 ALA H H 76 8.761 8.761 7.716 1.045 18098 5033 1 9 . 1 1 77 77 THR N N 77 102.584 102.584 108.738 -6.154 18098 5034 1 9 . 1 1 77 77 THR HA H 77 4.192 4.192 4.164 0.028 18098 5035 1 9 . 1 1 77 77 THR C C 77 173.425 173.425 174.829 -1.404 18098 5036 1 9 . 1 1 77 77 THR CA C 77 60.767 60.767 61.289 -0.522 18098 5037 1 9 . 1 1 77 77 THR CB C 77 69.573 69.573 68.498 1.075 18098 5038 1 9 . 1 1 77 77 THR H H 77 7.411 7.411 7.456 -0.045 18098 5039 1 9 . 1 1 78 78 LYS N N 78 116.069 116.069 117.676 -1.607 18098 5040 1 9 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.152 -0.322 18098 5041 1 9 . 1 1 78 78 LYS C C 78 174.514 174.514 175.306 -0.792 18098 5042 1 9 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.716 -0.474 18098 5043 1 9 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.689 -2.356 18098 5044 1 9 . 1 1 78 78 LYS H H 78 7.420 7.420 7.313 0.107 18098 5045 1 9 . 1 1 79 79 ASN N N 79 120.318 120.318 118.444 1.874 18098 5046 1 9 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.585 0.212 18098 5047 1 9 . 1 1 79 79 ASN C C 79 175.581 175.581 175.211 0.370 18098 5048 1 9 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.902 -1.307 18098 5049 1 9 . 1 1 79 79 ASN CB C 79 36.999 36.999 37.403 -0.404 18098 5050 1 9 . 1 1 79 79 ASN H H 79 8.828 8.828 7.978 0.850 18098 5051 1 9 . 1 1 80 80 PHE N N 80 120.545 120.545 120.007 0.538 18098 5052 1 9 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.774 0.095 18098 5053 1 9 . 1 1 80 80 PHE C C 80 177.311 177.311 177.498 -0.187 18098 5054 1 9 . 1 1 80 80 PHE CA C 80 56.745 56.745 59.331 -2.586 18098 5055 1 9 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.830 -0.619 18098 5056 1 9 . 1 1 80 80 PHE H H 80 7.581 7.581 7.782 -0.201 18098 5057 1 9 . 1 1 81 81 LYS N N 81 118.568 118.568 118.298 0.270 18098 5058 1 9 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.084 -0.023 18098 5059 1 9 . 1 1 81 81 LYS C C 81 177.845 177.845 177.531 0.314 18098 5060 1 9 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.948 -0.440 18098 5061 1 9 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.687 0.404 18098 5062 1 9 . 1 1 81 81 LYS H H 81 7.999 7.999 8.358 -0.359 18098 5063 1 9 . 1 1 82 82 THR N N 82 111.828 111.828 113.879 -2.051 18098 5064 1 9 . 1 1 82 82 THR HA H 82 4.098 4.098 4.196 -0.098 18098 5065 1 9 . 1 1 82 82 THR C C 82 174.556 174.556 175.373 -0.817 18098 5066 1 9 . 1 1 82 82 THR CA C 82 63.796 63.796 63.596 0.200 18098 5067 1 9 . 1 1 82 82 THR CB C 82 68.509 68.509 69.353 -0.844 18098 5068 1 9 . 1 1 82 82 THR H H 82 7.419 7.419 7.504 -0.085 18098 5069 1 9 . 1 1 83 83 SER N N 83 115.546 115.546 118.460 -2.914 18098 5070 1 9 . 1 1 83 83 SER HA H 83 5.000 5.000 5.166 -0.166 18098 5071 1 9 . 1 1 83 83 SER C C 83 170.371 170.371 172.678 -2.307 18098 5072 1 9 . 1 1 83 83 SER CA C 83 54.673 54.673 56.671 -1.998 18098 5073 1 9 . 1 1 83 83 SER CB C 83 63.763 63.763 64.340 -0.577 18098 5074 1 9 . 1 1 83 83 SER H H 83 7.312 7.312 7.672 -0.360 18098 5075 1 9 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.745 -0.190 18098 5076 1 9 . 1 1 84 84 PRO C C 84 176.855 176.855 176.899 -0.044 18098 5077 1 9 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.765 -0.225 18098 5078 1 9 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.489 -0.406 18098 5079 1 9 . 1 1 85 85 LEU N N 85 125.147 125.147 123.178 1.969 18098 5080 1 9 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.268 -0.455 18098 5081 1 9 . 1 1 85 85 LEU C C 85 175.168 175.168 175.144 0.024 18098 5082 1 9 . 1 1 85 85 LEU CA C 85 52.337 52.337 51.871 0.466 18098 5083 1 9 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.267 1.093 18098 5084 1 9 . 1 1 85 85 LEU H H 85 8.171 8.171 8.315 -0.144 18098 5085 1 9 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.601 -0.093 18098 5086 1 9 . 1 1 86 86 PRO C C 86 177.111 177.111 176.939 0.172 18098 5087 1 9 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.181 0.080 18098 5088 1 9 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.814 -0.039 18098 5089 1 9 . 1 1 87 87 ASP N N 87 123.224 123.224 121.480 1.744 18098 5090 1 9 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.257 -0.102 18098 5091 1 9 . 1 1 87 87 ASP C C 87 178.392 178.392 177.447 0.945 18098 5092 1 9 . 1 1 87 87 ASP CA C 87 57.499 57.499 56.878 0.621 18098 5093 1 9 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.385 -0.265 18098 5094 1 9 . 1 1 87 87 ASP H H 87 8.649 8.649 8.688 -0.039 18098 5095 1 9 . 1 1 88 88 LYS N N 88 115.960 115.960 117.489 -1.529 18098 5096 1 9 . 1 1 88 88 LYS HA H 88 3.831 3.831 4.026 -0.195 18098 5097 1 9 . 1 1 88 88 LYS C C 88 176.585 176.585 175.783 0.802 18098 5098 1 9 . 1 1 88 88 LYS CA C 88 58.259 58.259 57.248 1.011 18098 5099 1 9 . 1 1 88 88 LYS CB C 88 31.734 31.734 30.104 1.630 18098 5100 1 9 . 1 1 88 88 LYS H H 88 8.344 8.344 8.587 -0.243 18098 5101 1 9 . 1 1 89 89 TRP N N 89 116.821 116.821 117.658 -0.837 18098 5102 1 9 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.631 0.183 18098 5103 1 9 . 1 1 89 89 TRP C C 89 176.329 176.329 175.345 0.984 18098 5104 1 9 . 1 1 89 89 TRP CA C 89 56.147 56.147 55.471 0.676 18098 5105 1 9 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.414 1.088 18098 5106 1 9 . 1 1 89 89 TRP H H 89 7.145 7.145 7.321 -0.176 18098 5107 1 9 . 1 1 90 90 ALA N N 90 122.680 122.680 124.383 -1.703 18098 5108 1 9 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.143 -0.277 18098 5109 1 9 . 1 1 90 90 ALA C C 90 177.965 177.965 177.259 0.706 18098 5110 1 9 . 1 1 90 90 ALA CA C 90 54.711 54.711 53.035 1.676 18098 5111 1 9 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.034 0.345 18098 5112 1 9 . 1 1 90 90 ALA H H 90 7.456 7.456 7.221 0.235 18098 5113 1 9 . 1 1 91 91 ASN N N 91 114.054 114.054 119.585 -5.531 18098 5114 1 9 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.448 0.367 18098 5115 1 9 . 1 1 91 91 ASN C C 91 174.727 174.727 174.359 0.368 18098 5116 1 9 . 1 1 91 91 ASN CA C 91 52.389 52.389 53.953 -1.564 18098 5117 1 9 . 1 1 91 91 ASN CB C 91 38.707 38.707 36.837 1.870 18098 5118 1 9 . 1 1 91 91 ASN H H 91 8.318 8.318 8.613 -0.295 18098 5119 1 9 . 1 1 92 92 SER N N 92 113.359 113.359 113.697 -0.338 18098 5120 1 9 . 1 1 92 92 SER HA H 92 4.649 4.649 4.462 0.187 18098 5121 1 9 . 1 1 92 92 SER C C 92 177.033 177.033 175.718 1.315 18098 5122 1 9 . 1 1 92 92 SER CA C 92 57.599 57.599 59.106 -1.507 18098 5123 1 9 . 1 1 92 92 SER CB C 92 64.454 64.454 65.376 -0.922 18098 5124 1 9 . 1 1 92 92 SER H H 92 7.255 7.255 7.657 -0.402 18098 5125 1 9 . 1 1 93 93 LYS N N 93 133.672 133.672 126.116 7.556 18098 5126 1 9 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.145 -0.015 18098 5127 1 9 . 1 1 93 93 LYS C C 93 178.763 178.763 178.587 0.176 18098 5128 1 9 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.332 -0.203 18098 5129 1 9 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.165 -0.082 18098 5130 1 9 . 1 1 93 93 LYS H H 93 9.608 9.608 8.979 0.629 18098 5131 1 9 . 1 1 94 94 LEU N N 94 122.086 122.086 120.310 1.776 18098 5132 1 9 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.253 0.098 18098 5133 1 9 . 1 1 94 94 LEU C C 94 178.663 178.663 178.872 -0.209 18098 5134 1 9 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.004 -0.768 18098 5135 1 9 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.800 -0.639 18098 5136 1 9 . 1 1 94 94 LEU H H 94 8.000 8.000 8.090 -0.090 18098 5137 1 9 . 1 1 95 95 LEU N N 95 118.720 118.720 119.346 -0.626 18098 5138 1 9 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.843 0.082 18098 5139 1 9 . 1 1 95 95 LEU C C 95 178.530 178.530 178.373 0.157 18098 5140 1 9 . 1 1 95 95 LEU CA C 95 57.381 57.381 57.973 -0.592 18098 5141 1 9 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.569 -0.645 18098 5142 1 9 . 1 1 95 95 LEU H H 95 7.997 7.997 7.585 0.412 18098 5143 1 9 . 1 1 96 96 LYS N N 96 117.880 117.880 119.041 -1.161 18098 5144 1 9 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.172 0.084 18098 5145 1 9 . 1 1 96 96 LYS C C 96 179.147 179.147 179.558 -0.411 18098 5146 1 9 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.804 -0.342 18098 5147 1 9 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.158 -0.238 18098 5148 1 9 . 1 1 96 96 LYS H H 96 7.341 7.341 7.840 -0.499 18098 5149 1 9 . 1 1 97 97 GLN N N 97 119.660 119.660 118.471 1.189 18098 5150 1 9 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.186 0.008 18098 5151 1 9 . 1 1 97 97 GLN C C 97 179.040 179.040 178.736 0.304 18098 5152 1 9 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.923 0.159 18098 5153 1 9 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.822 0.225 18098 5154 1 9 . 1 1 97 97 GLN H H 97 8.007 8.007 7.821 0.186 18098 5155 1 9 . 1 1 98 98 LEU N N 98 122.983 122.983 121.263 1.720 18098 5156 1 9 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.769 0.082 18098 5157 1 9 . 1 1 98 98 LEU C C 98 178.841 178.841 178.662 0.179 18098 5158 1 9 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.746 0.335 18098 5159 1 9 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.450 0.446 18098 5160 1 9 . 1 1 98 98 LEU H H 98 8.425 8.425 7.929 0.496 18098 5161 1 9 . 1 1 99 99 GLN N N 99 119.099 119.099 118.731 0.368 18098 5162 1 9 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.295 0.345 18098 5163 1 9 . 1 1 99 99 GLN C C 99 179.660 179.660 179.007 0.653 18098 5164 1 9 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.988 -1.172 18098 5165 1 9 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.802 -1.385 18098 5166 1 9 . 1 1 99 99 GLN H H 99 8.594 8.594 8.390 0.204 18098 5167 1 9 . 1 1 100 100 GLU N N 100 120.803 120.803 118.754 2.049 18098 5168 1 9 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.129 -0.018 18098 5169 1 9 . 1 1 100 100 GLU C C 100 178.870 178.870 178.472 0.398 18098 5170 1 9 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.794 0.655 18098 5171 1 9 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.684 -0.304 18098 5172 1 9 . 1 1 100 100 GLU H H 100 8.353 8.353 7.750 0.603 18098 5173 1 9 . 1 1 101 101 PHE N N 101 120.752 120.752 119.922 0.830 18098 5174 1 9 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.505 -0.032 18098 5175 1 9 . 1 1 101 101 PHE C C 101 177.289 177.289 177.604 -0.315 18098 5176 1 9 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.483 0.634 18098 5177 1 9 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.848 -0.145 18098 5178 1 9 . 1 1 101 101 PHE H H 101 8.544 8.544 8.185 0.359 18098 5179 1 9 . 1 1 102 102 SER N N 102 112.889 112.889 116.021 -3.132 18098 5180 1 9 . 1 1 102 102 SER HA H 102 3.821 3.821 3.878 -0.057 18098 5181 1 9 . 1 1 102 102 SER C C 102 176.414 176.414 175.392 1.022 18098 5182 1 9 . 1 1 102 102 SER CA C 102 61.123 61.123 62.654 -1.531 18098 5183 1 9 . 1 1 102 102 SER CB C 102 63.193 63.193 63.085 0.108 18098 5184 1 9 . 1 1 102 102 SER H H 102 8.314 8.314 8.161 0.153 18098 5185 1 9 . 1 1 103 103 GLU N N 103 118.066 118.066 115.461 2.605 18098 5186 1 9 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.105 0.009 18098 5187 1 9 . 1 1 103 103 GLU C C 103 177.375 177.375 176.534 0.841 18098 5188 1 9 . 1 1 103 103 GLU CA C 103 57.801 57.801 57.713 0.088 18098 5189 1 9 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.383 0.643 18098 5190 1 9 . 1 1 103 103 GLU H H 103 7.809 7.809 7.691 0.118 18098 5191 1 9 . 1 1 104 104 ASN N N 104 117.241 117.241 116.512 0.729 18098 5192 1 9 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.908 -0.261 18098 5193 1 9 . 1 1 104 104 ASN C C 104 175.752 175.752 174.901 0.851 18098 5194 1 9 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.190 1.549 18098 5195 1 9 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.184 -0.561 18098 5196 1 9 . 1 1 104 104 ASN H H 104 7.917 7.917 7.704 0.213 18098 5197 1 9 . 1 1 105 105 LYS N N 105 121.903 121.903 119.804 2.099 18098 5198 1 9 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.661 0.407 18098 5199 1 9 . 1 1 105 105 LYS C C 105 177.311 177.311 177.281 0.030 18098 5200 1 9 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.966 -1.592 18098 5201 1 9 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.600 -0.563 18098 5202 1 9 . 1 1 105 105 LYS H H 105 8.093 8.093 7.259 0.834 18098 5203 1 9 . 1 1 106 106 GLU N N 106 119.595 119.595 117.183 2.412 18098 5204 1 9 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.469 -0.200 18098 5205 1 9 . 1 1 106 106 GLU C C 106 176.585 176.585 175.379 1.206 18098 5206 1 9 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.748 0.943 18098 5207 1 9 . 1 1 106 106 GLU CB C 106 29.700 29.700 30.341 -0.641 18098 5208 1 9 . 1 1 106 106 GLU H H 106 8.200 8.200 8.155 0.045 18098 5209 1 9 . 1 1 107 107 LYS N N 107 120.538 120.538 119.322 1.216 18098 5210 1 9 . 1 1 107 107 LYS HA H 107 4.267 4.267 3.995 0.272 18098 5211 1 9 . 1 1 107 107 LYS C C 107 176.435 176.435 175.140 1.295 18098 5212 1 9 . 1 1 107 107 LYS CA C 107 56.452 56.452 57.315 -0.863 18098 5213 1 9 . 1 1 107 107 LYS CB C 107 33.110 33.110 30.882 2.228 18098 5214 1 9 . 1 1 107 107 LYS H H 107 7.838 7.838 7.868 -0.030 18098 5215 1 9 . 1 1 108 108 GLU N N 108 122.869 122.869 123.001 -0.132 18098 5216 1 9 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.615 -0.298 18098 5217 1 9 . 1 1 108 108 GLU C C 108 175.403 175.403 175.475 -0.072 18098 5218 1 9 . 1 1 108 108 GLU CA C 108 56.565 56.565 54.833 1.732 18098 5219 1 9 . 1 1 108 108 GLU CB C 108 30.057 30.057 31.258 -1.201 18098 5220 1 9 . 1 1 108 108 GLU H H 108 8.313 8.313 8.374 -0.061 18098 5221 1 10 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.710 -0.068 18098 5222 1 10 . 1 1 10 10 HIS C C 10 174.891 174.891 174.355 0.536 18098 5223 1 10 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.777 0.253 18098 5224 1 10 . 1 1 10 10 HIS CB C 10 30.113 30.113 31.741 -1.627 18098 5225 1 10 . 1 1 11 11 MET N N 11 121.211 121.211 122.663 -1.452 18098 5226 1 10 . 1 1 11 11 MET HA H 11 4.417 4.417 4.639 -0.222 18098 5227 1 10 . 1 1 11 11 MET C C 11 175.709 175.709 176.254 -0.545 18098 5228 1 10 . 1 1 11 11 MET CA C 11 55.405 55.405 54.459 0.945 18098 5229 1 10 . 1 1 11 11 MET CB C 11 32.776 32.776 32.027 0.749 18098 5230 1 10 . 1 1 11 11 MET H H 11 8.179 8.179 8.694 -0.515 18098 5231 1 10 . 1 1 12 12 ILE N N 12 122.511 122.511 125.948 -3.437 18098 5232 1 10 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.142 -0.019 18098 5233 1 10 . 1 1 12 12 ILE C C 12 175.809 175.809 175.788 0.021 18098 5234 1 10 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.678 0.124 18098 5235 1 10 . 1 1 12 12 ILE CB C 12 38.531 38.531 37.841 0.690 18098 5236 1 10 . 1 1 12 12 ILE H H 12 8.088 8.088 8.633 -0.545 18098 5237 1 10 . 1 1 13 13 LYS N N 13 126.072 126.072 129.804 -3.732 18098 5238 1 10 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.290 0.038 18098 5239 1 10 . 1 1 13 13 LYS C C 13 176.108 176.108 175.818 0.290 18098 5240 1 10 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.663 -0.611 18098 5241 1 10 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.478 0.437 18098 5242 1 10 . 1 1 13 13 LYS H H 13 8.381 8.381 8.602 -0.221 18098 5243 1 10 . 1 1 14 14 ARG N N 14 123.714 123.714 126.903 -3.189 18098 5244 1 10 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.455 -0.011 18098 5245 1 10 . 1 1 14 14 ARG C C 14 176.428 176.428 175.305 1.123 18098 5246 1 10 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.907 -0.165 18098 5247 1 10 . 1 1 14 14 ARG CB C 14 30.781 30.781 32.598 -1.817 18098 5248 1 10 . 1 1 14 14 ARG H H 14 8.484 8.484 8.343 0.141 18098 5249 1 10 . 1 1 15 15 THR N N 15 115.338 115.338 117.780 -2.442 18098 5250 1 10 . 1 1 15 15 THR HA H 15 4.367 4.367 4.403 -0.036 18098 5251 1 10 . 1 1 15 15 THR C C 15 174.172 174.172 174.036 0.136 18098 5252 1 10 . 1 1 15 15 THR CA C 15 61.501 61.501 62.144 -0.643 18098 5253 1 10 . 1 1 15 15 THR CB C 15 69.868 69.868 68.287 1.581 18098 5254 1 10 . 1 1 15 15 THR H H 15 8.279 8.279 8.620 -0.341 18098 5255 1 10 . 1 1 16 16 ASN N N 16 120.727 120.727 123.398 -2.671 18098 5256 1 10 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.648 0.030 18098 5257 1 10 . 1 1 16 16 ASN C C 16 174.482 174.482 175.277 -0.795 18098 5258 1 10 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.901 -0.830 18098 5259 1 10 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.932 -0.551 18098 5260 1 10 . 1 1 16 16 ASN H H 16 8.612 8.612 8.048 0.564 18098 5261 1 10 . 1 1 17 17 GLU N N 17 123.790 123.790 121.425 2.365 18098 5262 1 10 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.094 0.507 18098 5263 1 10 . 1 1 17 17 GLU C C 17 173.823 173.823 174.395 -0.572 18098 5264 1 10 . 1 1 17 17 GLU CA C 17 53.965 53.965 55.728 -1.763 18098 5265 1 10 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.742 2.021 18098 5266 1 10 . 1 1 17 17 GLU H H 17 8.113 8.113 8.518 -0.405 18098 5267 1 10 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.422 0.093 18098 5268 1 10 . 1 1 18 18 PRO C C 18 177.709 177.709 177.131 0.578 18098 5269 1 10 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.368 0.397 18098 5270 1 10 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.459 0.022 18098 5271 1 10 . 1 1 19 19 LEU N N 19 123.760 123.760 124.217 -0.457 18098 5272 1 10 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.108 -0.102 18098 5273 1 10 . 1 1 19 19 LEU C C 19 178.307 178.307 178.489 -0.182 18098 5274 1 10 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.679 0.784 18098 5275 1 10 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.360 0.438 18098 5276 1 10 . 1 1 19 19 LEU H H 19 8.720 8.720 8.569 0.151 18098 5277 1 10 . 1 1 20 20 ASP N N 20 115.650 115.650 118.970 -3.320 18098 5278 1 10 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.370 -0.009 18098 5279 1 10 . 1 1 20 20 ASP C C 20 179.531 179.531 178.377 1.154 18098 5280 1 10 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.602 -0.515 18098 5281 1 10 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.601 -1.280 18098 5282 1 10 . 1 1 20 20 ASP H H 20 8.829 8.829 8.848 -0.019 18098 5283 1 10 . 1 1 21 21 LYS N N 21 121.462 121.462 118.893 2.569 18098 5284 1 10 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.053 0.079 18098 5285 1 10 . 1 1 21 21 LYS C C 21 178.421 178.421 178.817 -0.396 18098 5286 1 10 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.904 -0.620 18098 5287 1 10 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.502 -0.522 18098 5288 1 10 . 1 1 21 21 LYS H H 21 7.352 7.352 7.496 -0.144 18098 5289 1 10 . 1 1 22 22 LYS N N 22 123.296 123.296 120.711 2.585 18098 5290 1 10 . 1 1 22 22 LYS HA H 22 3.990 3.990 3.980 0.010 18098 5291 1 10 . 1 1 22 22 LYS C C 22 178.179 178.179 178.563 -0.384 18098 5292 1 10 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.120 0.734 18098 5293 1 10 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.046 0.741 18098 5294 1 10 . 1 1 22 22 LYS H H 22 8.407 8.407 7.782 0.625 18098 5295 1 10 . 1 1 23 23 ARG N N 23 116.950 116.950 119.067 -2.117 18098 5296 1 10 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.093 -0.359 18098 5297 1 10 . 1 1 23 23 ARG C C 23 177.460 177.460 178.396 -0.936 18098 5298 1 10 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.403 1.103 18098 5299 1 10 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.281 -0.014 18098 5300 1 10 . 1 1 23 23 ARG H H 23 8.594 8.594 8.151 0.443 18098 5301 1 10 . 1 1 24 24 ALA N N 24 118.391 118.391 121.170 -2.779 18098 5302 1 10 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.058 -0.014 18098 5303 1 10 . 1 1 24 24 ALA C C 24 180.514 180.514 179.322 1.192 18098 5304 1 10 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.203 -0.134 18098 5305 1 10 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.409 -0.475 18098 5306 1 10 . 1 1 24 24 ALA H H 24 7.505 7.505 8.032 -0.527 18098 5307 1 10 . 1 1 25 25 ARG N N 25 120.413 120.413 119.556 0.857 18098 5308 1 10 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.063 0.144 18098 5309 1 10 . 1 1 25 25 ARG C C 25 178.058 178.058 178.644 -0.586 18098 5310 1 10 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.339 0.054 18098 5311 1 10 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.199 -0.587 18098 5312 1 10 . 1 1 25 25 ARG H H 25 8.291 8.291 7.910 0.381 18098 5313 1 10 . 1 1 26 26 LEU N N 26 119.205 119.205 119.800 -0.595 18098 5314 1 10 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.068 0.077 18098 5315 1 10 . 1 1 26 26 LEU C C 26 180.642 180.642 179.336 1.306 18098 5316 1 10 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.953 -0.178 18098 5317 1 10 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.099 -0.399 18098 5318 1 10 . 1 1 26 26 LEU H H 26 8.305 8.305 7.786 0.519 18098 5319 1 10 . 1 1 27 27 ILE N N 27 123.643 123.643 118.383 5.260 18098 5320 1 10 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.753 -0.152 18098 5321 1 10 . 1 1 27 27 ILE C C 27 177.716 177.716 178.469 -0.753 18098 5322 1 10 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.278 0.874 18098 5323 1 10 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.631 0.210 18098 5324 1 10 . 1 1 27 27 ILE H H 27 8.488 8.488 7.780 0.708 18098 5325 1 10 . 1 1 28 28 TYR N N 28 121.443 121.443 120.819 0.624 18098 5326 1 10 . 1 1 28 28 TYR HA H 28 4.215 4.215 3.999 0.216 18098 5327 1 10 . 1 1 28 28 TYR C C 28 178.656 178.656 177.545 1.111 18098 5328 1 10 . 1 1 28 28 TYR CA C 28 61.443 61.443 62.202 -0.759 18098 5329 1 10 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.495 -0.661 18098 5330 1 10 . 1 1 28 28 TYR H H 28 7.832 7.832 8.002 -0.170 18098 5331 1 10 . 1 1 29 29 GLN N N 29 115.999 115.999 116.706 -0.707 18098 5332 1 10 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.848 0.013 18098 5333 1 10 . 1 1 29 29 GLN C C 29 178.537 178.537 178.262 0.275 18098 5334 1 10 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.727 -0.531 18098 5335 1 10 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.548 0.740 18098 5336 1 10 . 1 1 29 29 GLN H H 29 8.965 8.965 8.284 0.681 18098 5337 1 10 . 1 1 30 30 SER N N 30 115.599 115.599 115.757 -0.158 18098 5338 1 10 . 1 1 30 30 SER HA H 30 4.100 4.100 4.249 -0.149 18098 5339 1 10 . 1 1 30 30 SER C C 30 171.004 171.004 176.628 -5.624 18098 5340 1 10 . 1 1 30 30 SER CA C 30 61.818 61.818 61.973 -0.155 18098 5341 1 10 . 1 1 30 30 SER CB C 30 63.196 63.196 63.189 0.007 18098 5342 1 10 . 1 1 30 30 SER H H 30 7.643 7.643 8.152 -0.509 18098 5343 1 10 . 1 1 31 31 ARG N N 31 114.000 114.000 119.779 -5.779 18098 5344 1 10 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.353 0.273 18098 5345 1 10 . 1 1 31 31 ARG C C 31 176.556 176.556 176.347 0.209 18098 5346 1 10 . 1 1 31 31 ARG CA C 31 55.010 55.010 57.227 -2.217 18098 5347 1 10 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.625 0.034 18098 5348 1 10 . 1 1 31 31 ARG H H 31 6.987 6.987 7.417 -0.430 18098 5349 1 10 . 1 1 32 32 LYS N N 32 120.507 120.507 120.283 0.224 18098 5350 1 10 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.331 0.174 18098 5351 1 10 . 1 1 32 32 LYS C C 32 176.577 176.577 175.120 1.457 18098 5352 1 10 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.771 -1.580 18098 5353 1 10 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.615 -1.545 18098 5354 1 10 . 1 1 32 32 LYS H H 32 7.245 7.245 7.369 -0.124 18098 5355 1 10 . 1 1 33 33 ARG N N 33 119.630 119.630 122.702 -3.072 18098 5356 1 10 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.380 0.096 18098 5357 1 10 . 1 1 33 33 ARG C C 33 177.289 177.289 176.771 0.518 18098 5358 1 10 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.881 -2.492 18098 5359 1 10 . 1 1 33 33 ARG CB C 33 27.343 27.343 33.205 -5.862 18098 5360 1 10 . 1 1 33 33 ARG H H 33 8.831 8.831 8.050 0.781 18098 5361 1 10 . 1 1 34 34 GLY N N 34 107.776 107.776 109.968 -2.192 18098 5362 1 10 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.465 0.448 18098 5363 1 10 . 1 1 34 34 GLY H H 34 8.652 8.652 8.352 0.300 18098 5364 1 10 . 1 1 35 35 ILE HA H 35 4.346 4.346 3.985 0.361 18098 5365 1 10 . 1 1 35 35 ILE C C 35 175.624 175.624 175.598 0.026 18098 5366 1 10 . 1 1 35 35 ILE CA C 35 58.004 58.004 58.496 -0.492 18098 5367 1 10 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.017 -0.133 18098 5368 1 10 . 1 1 35 35 ILE H H 35 6.841 6.841 7.287 -0.446 18098 5369 1 10 . 1 1 36 36 LEU N N 36 128.200 128.200 127.682 0.518 18098 5370 1 10 . 1 1 36 36 LEU HA H 36 3.940 3.940 3.907 0.033 18098 5371 1 10 . 1 1 36 36 LEU C C 36 177.994 177.994 178.680 -0.686 18098 5372 1 10 . 1 1 36 36 LEU CA C 36 58.018 58.018 58.254 -0.236 18098 5373 1 10 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.703 1.181 18098 5374 1 10 . 1 1 36 36 LEU H H 36 8.518 8.518 8.598 -0.080 18098 5375 1 10 . 1 1 37 37 GLU N N 37 118.515 118.515 118.817 -0.302 18098 5376 1 10 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.965 -0.425 18098 5377 1 10 . 1 1 37 37 GLU C C 37 179.332 179.332 178.839 0.493 18098 5378 1 10 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.314 2.193 18098 5379 1 10 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.073 -0.338 18098 5380 1 10 . 1 1 37 37 GLU H H 37 9.964 9.964 8.504 1.460 18098 5381 1 10 . 1 1 38 38 THR N N 38 111.283 111.283 114.934 -3.651 18098 5382 1 10 . 1 1 38 38 THR HA H 38 3.867 3.867 4.062 -0.195 18098 5383 1 10 . 1 1 38 38 THR C C 38 175.061 175.061 176.105 -1.044 18098 5384 1 10 . 1 1 38 38 THR CA C 38 65.735 65.735 66.282 -0.548 18098 5385 1 10 . 1 1 38 38 THR CB C 38 67.623 67.623 68.258 -0.635 18098 5386 1 10 . 1 1 38 38 THR H H 38 6.425 6.425 7.669 -1.244 18098 5387 1 10 . 1 1 39 39 ASP N N 39 124.325 124.325 123.053 1.272 18098 5388 1 10 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.387 0.126 18098 5389 1 10 . 1 1 39 39 ASP C C 39 179.225 179.225 178.355 0.870 18098 5390 1 10 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.291 -0.193 18098 5391 1 10 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.858 1.025 18098 5392 1 10 . 1 1 39 39 ASP H H 39 7.997 7.997 7.886 0.111 18098 5393 1 10 . 1 1 40 40 LEU N N 40 118.757 118.757 119.297 -0.540 18098 5394 1 10 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.129 -0.118 18098 5395 1 10 . 1 1 40 40 LEU C C 40 180.528 180.528 179.455 1.073 18098 5396 1 10 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.372 0.720 18098 5397 1 10 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.832 -0.034 18098 5398 1 10 . 1 1 40 40 LEU H H 40 8.623 8.623 7.724 0.899 18098 5399 1 10 . 1 1 41 41 LEU N N 41 119.923 119.923 121.454 -1.531 18098 5400 1 10 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.309 0.084 18098 5401 1 10 . 1 1 41 41 LEU C C 41 177.631 177.631 178.466 -0.835 18098 5402 1 10 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.472 -0.115 18098 5403 1 10 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.950 1.389 18098 5404 1 10 . 1 1 41 41 LEU H H 41 7.382 7.382 7.667 -0.285 18098 5405 1 10 . 1 1 42 42 LEU N N 42 115.623 115.623 118.480 -2.857 18098 5406 1 10 . 1 1 42 42 LEU HA H 42 4.273 4.273 3.984 0.289 18098 5407 1 10 . 1 1 42 42 LEU C C 42 179.489 179.489 179.630 -0.141 18098 5408 1 10 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.991 -0.422 18098 5409 1 10 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.569 -1.085 18098 5410 1 10 . 1 1 42 42 LEU H H 42 8.963 8.963 8.275 0.688 18098 5411 1 10 . 1 1 43 43 SER N N 43 115.349 115.349 115.435 -0.086 18098 5412 1 10 . 1 1 43 43 SER HA H 43 4.039 4.039 4.216 -0.177 18098 5413 1 10 . 1 1 43 43 SER C C 43 178.200 178.200 177.051 1.149 18098 5414 1 10 . 1 1 43 43 SER CA C 43 62.665 62.665 63.026 -0.361 18098 5415 1 10 . 1 1 43 43 SER CB C 43 62.476 62.476 62.651 -0.175 18098 5416 1 10 . 1 1 43 43 SER H H 43 8.535 8.535 8.642 -0.107 18098 5417 1 10 . 1 1 44 44 GLY N N 44 110.034 110.034 109.485 0.549 18098 5418 1 10 . 1 1 44 44 GLY C C 44 175.624 175.624 175.724 -0.100 18098 5419 1 10 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.961 0.183 18098 5420 1 10 . 1 1 44 44 GLY H H 44 7.812 7.812 7.896 -0.084 18098 5421 1 10 . 1 1 45 45 PHE N N 45 125.487 125.487 122.136 3.351 18098 5422 1 10 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.319 -0.381 18098 5423 1 10 . 1 1 45 45 PHE C C 45 177.482 177.482 176.320 1.162 18098 5424 1 10 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.510 0.735 18098 5425 1 10 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.625 1.294 18098 5426 1 10 . 1 1 45 45 PHE H H 45 8.542 8.542 7.853 0.689 18098 5427 1 10 . 1 1 46 46 ALA N N 46 121.034 121.034 122.055 -1.021 18098 5428 1 10 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.922 -0.190 18098 5429 1 10 . 1 1 46 46 ALA C C 46 179.916 179.916 179.020 0.896 18098 5430 1 10 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.878 -0.170 18098 5431 1 10 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.214 -0.117 18098 5432 1 10 . 1 1 46 46 ALA H H 46 9.262 9.262 8.113 1.149 18098 5433 1 10 . 1 1 47 47 ALA N N 47 117.642 117.642 119.536 -1.894 18098 5434 1 10 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.104 -0.133 18098 5435 1 10 . 1 1 47 47 ALA C C 47 178.250 178.250 178.300 -0.050 18098 5436 1 10 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.516 -0.133 18098 5437 1 10 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.471 -0.270 18098 5438 1 10 . 1 1 47 47 ALA H H 47 7.481 7.481 7.798 -0.317 18098 5439 1 10 . 1 1 48 48 LYS N N 48 115.388 115.388 116.954 -1.566 18098 5440 1 10 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.133 -0.033 18098 5441 1 10 . 1 1 48 48 LYS C C 48 177.845 177.845 178.475 -0.630 18098 5442 1 10 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.273 -0.513 18098 5443 1 10 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.236 0.550 18098 5444 1 10 . 1 1 48 48 LYS H H 48 7.056 7.056 7.433 -0.377 18098 5445 1 10 . 1 1 49 49 TYR N N 49 112.714 112.714 116.623 -3.909 18098 5446 1 10 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.138 0.158 18098 5447 1 10 . 1 1 49 49 TYR C C 49 178.272 178.272 177.773 0.499 18098 5448 1 10 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.662 -0.539 18098 5449 1 10 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.317 1.943 18098 5450 1 10 . 1 1 49 49 TYR H H 49 7.941 7.941 7.897 0.044 18098 5451 1 10 . 1 1 50 50 LEU N N 50 120.890 120.890 118.049 2.841 18098 5452 1 10 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.938 0.037 18098 5453 1 10 . 1 1 50 50 LEU C C 50 180.108 180.108 178.246 1.862 18098 5454 1 10 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.652 2.057 18098 5455 1 10 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.073 -0.236 18098 5456 1 10 . 1 1 50 50 LEU H H 50 7.945 7.945 7.693 0.252 18098 5457 1 10 . 1 1 51 51 LYS N N 51 115.335 115.335 117.459 -2.124 18098 5458 1 10 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.986 -0.128 18098 5459 1 10 . 1 1 51 51 LYS C C 51 176.051 176.051 178.608 -2.557 18098 5460 1 10 . 1 1 51 51 LYS CA C 51 58.805 58.805 59.029 -0.224 18098 5461 1 10 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.152 -0.645 18098 5462 1 10 . 1 1 51 51 LYS H H 51 8.463 8.463 8.070 0.393 18098 5463 1 10 . 1 1 52 52 LYS N N 52 115.175 115.175 115.783 -0.608 18098 5464 1 10 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.344 0.066 18098 5465 1 10 . 1 1 52 52 LYS C C 52 176.777 176.777 176.844 -0.067 18098 5466 1 10 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.589 -0.504 18098 5467 1 10 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.319 -0.203 18098 5468 1 10 . 1 1 52 52 LYS H H 52 7.232 7.232 7.474 -0.242 18098 5469 1 10 . 1 1 53 53 MET N N 53 120.127 120.127 120.328 -0.201 18098 5470 1 10 . 1 1 53 53 MET HA H 53 4.485 4.485 4.353 0.132 18098 5471 1 10 . 1 1 53 53 MET C C 53 176.179 176.179 175.675 0.504 18098 5472 1 10 . 1 1 53 53 MET CA C 53 57.091 57.091 56.088 1.003 18098 5473 1 10 . 1 1 53 53 MET CB C 53 34.125 34.125 33.108 1.017 18098 5474 1 10 . 1 1 53 53 MET H H 53 7.175 7.175 7.385 -0.210 18098 5475 1 10 . 1 1 54 54 ASN N N 54 120.819 120.819 121.464 -0.645 18098 5476 1 10 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.725 0.040 18098 5477 1 10 . 1 1 54 54 ASN C C 54 175.154 175.154 176.337 -1.183 18098 5478 1 10 . 1 1 54 54 ASN CA C 54 50.941 50.941 53.754 -2.813 18098 5479 1 10 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.964 -1.429 18098 5480 1 10 . 1 1 54 54 ASN H H 54 9.045 9.045 8.354 0.691 18098 5481 1 10 . 1 1 55 55 GLU N N 55 116.971 116.971 120.943 -3.972 18098 5482 1 10 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.964 -0.140 18098 5483 1 10 . 1 1 55 55 GLU C C 55 178.122 178.122 178.557 -0.435 18098 5484 1 10 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.636 0.616 18098 5485 1 10 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.352 0.317 18098 5486 1 10 . 1 1 55 55 GLU H H 55 8.891 8.891 8.935 -0.044 18098 5487 1 10 . 1 1 56 56 GLU N N 56 119.652 119.652 117.459 2.193 18098 5488 1 10 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.300 -0.163 18098 5489 1 10 . 1 1 56 56 GLU C C 56 179.937 179.937 178.916 1.021 18098 5490 1 10 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.414 0.402 18098 5491 1 10 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.230 -0.148 18098 5492 1 10 . 1 1 56 56 GLU H H 56 8.366 8.366 8.665 -0.299 18098 5493 1 10 . 1 1 57 57 GLU N N 57 122.119 122.119 119.759 2.360 18098 5494 1 10 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.192 0.073 18098 5495 1 10 . 1 1 57 57 GLU C C 57 179.332 179.332 179.400 -0.068 18098 5496 1 10 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.950 0.209 18098 5497 1 10 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.124 0.176 18098 5498 1 10 . 1 1 57 57 GLU H H 57 8.491 8.491 7.743 0.748 18098 5499 1 10 . 1 1 58 58 LEU N N 58 119.424 119.424 119.382 0.042 18098 5500 1 10 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.128 0.008 18098 5501 1 10 . 1 1 58 58 LEU C C 58 179.218 179.218 179.391 -0.173 18098 5502 1 10 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.220 -0.535 18098 5503 1 10 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.520 0.330 18098 5504 1 10 . 1 1 58 58 LEU H H 58 8.693 8.693 8.417 0.276 18098 5505 1 10 . 1 1 59 59 GLU N N 59 118.813 118.813 117.548 1.265 18098 5506 1 10 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.115 0.185 18098 5507 1 10 . 1 1 59 59 GLU C C 59 179.361 179.361 178.929 0.432 18098 5508 1 10 . 1 1 59 59 GLU CA C 59 59.039 59.039 58.961 0.078 18098 5509 1 10 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.037 0.068 18098 5510 1 10 . 1 1 59 59 GLU H H 59 8.009 8.009 8.314 -0.305 18098 5511 1 10 . 1 1 60 60 GLU N N 60 121.472 121.472 121.551 -0.079 18098 5512 1 10 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.171 0.085 18098 5513 1 10 . 1 1 60 60 GLU C C 60 178.451 178.451 178.705 -0.254 18098 5514 1 10 . 1 1 60 60 GLU CA C 60 59.649 59.649 59.026 0.623 18098 5515 1 10 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.887 -0.123 18098 5516 1 10 . 1 1 60 60 GLU H H 60 7.867 7.867 7.760 0.107 18098 5517 1 10 . 1 1 61 61 TYR N N 61 121.955 121.955 120.335 1.620 18098 5518 1 10 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.297 -0.163 18098 5519 1 10 . 1 1 61 61 TYR C C 61 176.278 176.278 177.479 -1.201 18098 5520 1 10 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.469 1.702 18098 5521 1 10 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.606 -0.416 18098 5522 1 10 . 1 1 61 61 TYR H H 61 8.675 8.675 8.260 0.415 18098 5523 1 10 . 1 1 62 62 ASP N N 62 118.314 118.314 119.719 -1.405 18098 5524 1 10 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.180 0.083 18098 5525 1 10 . 1 1 62 62 ASP C C 62 178.464 178.464 178.234 0.230 18098 5526 1 10 . 1 1 62 62 ASP CA C 62 56.745 56.745 58.164 -1.419 18098 5527 1 10 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.769 0.776 18098 5528 1 10 . 1 1 62 62 ASP H H 62 8.481 8.481 8.197 0.284 18098 5529 1 10 . 1 1 63 63 SER N N 63 111.380 111.380 115.093 -3.713 18098 5530 1 10 . 1 1 63 63 SER HA H 63 4.361 4.361 4.232 0.129 18098 5531 1 10 . 1 1 63 63 SER C C 63 178.763 178.763 176.403 2.360 18098 5532 1 10 . 1 1 63 63 SER CA C 63 61.824 61.824 61.105 0.720 18098 5533 1 10 . 1 1 63 63 SER CB C 63 62.830 62.830 63.499 -0.669 18098 5534 1 10 . 1 1 63 63 SER H H 63 7.779 7.779 7.764 0.015 18098 5535 1 10 . 1 1 64 64 LEU N N 64 127.444 127.444 121.415 6.029 18098 5536 1 10 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.190 -0.134 18098 5537 1 10 . 1 1 64 64 LEU C C 64 177.688 177.688 178.180 -0.492 18098 5538 1 10 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.167 0.884 18098 5539 1 10 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.195 -2.020 18098 5540 1 10 . 1 1 64 64 LEU H H 64 8.616 8.616 7.447 1.169 18098 5541 1 10 . 1 1 65 65 LEU N N 65 114.503 114.503 118.026 -3.523 18098 5542 1 10 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.940 -0.172 18098 5543 1 10 . 1 1 65 65 LEU C C 65 178.506 178.506 178.548 -0.042 18098 5544 1 10 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.909 -0.544 18098 5545 1 10 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.953 -0.490 18098 5546 1 10 . 1 1 65 65 LEU H H 65 7.700 7.700 7.692 0.008 18098 5547 1 10 . 1 1 66 66 ASN N N 66 116.208 116.208 115.568 0.640 18098 5548 1 10 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.806 -0.067 18098 5549 1 10 . 1 1 66 66 ASN C C 66 176.008 176.008 175.202 0.806 18098 5550 1 10 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.738 0.148 18098 5551 1 10 . 1 1 66 66 ASN CB C 66 39.259 39.259 39.075 0.184 18098 5552 1 10 . 1 1 66 66 ASN H H 66 7.533 7.533 7.805 -0.272 18098 5553 1 10 . 1 1 67 67 GLU N N 67 120.300 120.300 120.689 -0.389 18098 5554 1 10 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.554 -0.065 18098 5555 1 10 . 1 1 67 67 GLU C C 67 175.410 175.410 176.115 -0.705 18098 5556 1 10 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.119 -0.153 18098 5557 1 10 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.906 -2.486 18098 5558 1 10 . 1 1 67 67 GLU H H 67 7.948 7.948 7.567 0.381 18098 5559 1 10 . 1 1 68 68 LEU N N 68 120.037 120.037 122.348 -2.311 18098 5560 1 10 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.273 -0.143 18098 5561 1 10 . 1 1 68 68 LEU C C 68 178.720 178.720 177.567 1.153 18098 5562 1 10 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.635 0.071 18098 5563 1 10 . 1 1 68 68 LEU CB C 68 41.508 41.508 41.641 -0.133 18098 5564 1 10 . 1 1 68 68 LEU H H 68 9.451 9.451 8.420 1.031 18098 5565 1 10 . 1 1 69 69 ASP N N 69 120.774 120.774 125.180 -4.406 18098 5566 1 10 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.142 0.035 18098 5567 1 10 . 1 1 69 69 ASP C C 69 179.446 179.446 178.050 1.396 18098 5568 1 10 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.160 1.477 18098 5569 1 10 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.972 0.882 18098 5570 1 10 . 1 1 69 69 ASP H H 69 8.445 8.445 8.686 -0.241 18098 5571 1 10 . 1 1 70 70 TRP N N 70 117.865 117.865 120.695 -2.830 18098 5572 1 10 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.071 0.047 18098 5573 1 10 . 1 1 70 70 TRP C C 70 176.983 176.983 178.112 -1.129 18098 5574 1 10 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.518 0.585 18098 5575 1 10 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.543 -1.152 18098 5576 1 10 . 1 1 70 70 TRP H H 70 8.809 8.809 7.881 0.928 18098 5577 1 10 . 1 1 71 71 ASP N N 71 116.993 116.993 117.829 -0.836 18098 5578 1 10 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.074 -0.212 18098 5579 1 10 . 1 1 71 71 ASP C C 71 175.218 175.218 177.795 -2.577 18098 5580 1 10 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.924 -0.471 18098 5581 1 10 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.730 -1.006 18098 5582 1 10 . 1 1 71 71 ASP H H 71 6.134 6.134 7.673 -1.539 18098 5583 1 10 . 1 1 72 72 ILE N N 72 115.361 115.361 119.226 -3.865 18098 5584 1 10 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.405 -0.533 18098 5585 1 10 . 1 1 72 72 ILE C C 72 177.097 177.097 177.473 -0.376 18098 5586 1 10 . 1 1 72 72 ILE CA C 72 66.119 66.119 65.166 0.953 18098 5587 1 10 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.705 0.574 18098 5588 1 10 . 1 1 72 72 ILE H H 72 7.302 7.302 7.492 -0.190 18098 5589 1 10 . 1 1 73 73 TYR N N 73 116.121 116.121 120.494 -4.373 18098 5590 1 10 . 1 1 73 73 TYR HA H 73 3.741 3.741 4.012 -0.271 18098 5591 1 10 . 1 1 73 73 TYR C C 73 178.827 178.827 177.371 1.456 18098 5592 1 10 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.994 0.156 18098 5593 1 10 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.361 -0.189 18098 5594 1 10 . 1 1 73 73 TYR H H 73 7.327 7.327 7.299 0.028 18098 5595 1 10 . 1 1 74 74 TYR N N 74 121.029 121.029 118.318 2.711 18098 5596 1 10 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.232 0.044 18098 5597 1 10 . 1 1 74 74 TYR C C 74 178.165 178.165 177.662 0.503 18098 5598 1 10 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.669 -0.392 18098 5599 1 10 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.639 -1.855 18098 5600 1 10 . 1 1 74 74 TYR H H 74 8.922 8.922 7.641 1.281 18098 5601 1 10 . 1 1 75 75 TRP N N 75 121.118 121.118 118.477 2.641 18098 5602 1 10 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.334 0.421 18098 5603 1 10 . 1 1 75 75 TRP C C 75 180.599 180.599 177.743 2.856 18098 5604 1 10 . 1 1 75 75 TRP CA C 75 57.770 57.770 57.919 -0.149 18098 5605 1 10 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.164 0.247 18098 5606 1 10 . 1 1 75 75 TRP H H 75 9.201 9.201 7.701 1.500 18098 5607 1 10 . 1 1 76 76 ALA N N 76 122.129 122.129 120.507 1.622 18098 5608 1 10 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.216 -0.260 18098 5609 1 10 . 1 1 76 76 ALA C C 76 177.546 177.546 177.671 -0.125 18098 5610 1 10 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.741 1.459 18098 5611 1 10 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.481 -0.256 18098 5612 1 10 . 1 1 76 76 ALA H H 76 8.761 8.761 7.809 0.952 18098 5613 1 10 . 1 1 77 77 THR N N 77 102.584 102.584 108.112 -5.528 18098 5614 1 10 . 1 1 77 77 THR HA H 77 4.192 4.192 4.323 -0.131 18098 5615 1 10 . 1 1 77 77 THR C C 77 173.425 173.425 173.900 -0.475 18098 5616 1 10 . 1 1 77 77 THR CA C 77 60.767 60.767 59.781 0.986 18098 5617 1 10 . 1 1 77 77 THR CB C 77 69.573 69.573 71.025 -1.452 18098 5618 1 10 . 1 1 77 77 THR H H 77 7.411 7.411 7.418 -0.007 18098 5619 1 10 . 1 1 78 78 LYS N N 78 116.069 116.069 118.807 -2.738 18098 5620 1 10 . 1 1 78 78 LYS HA H 78 2.830 2.830 4.460 -1.630 18098 5621 1 10 . 1 1 78 78 LYS C C 78 174.514 174.514 176.202 -1.688 18098 5622 1 10 . 1 1 78 78 LYS CA C 78 57.242 57.242 55.406 1.836 18098 5623 1 10 . 1 1 78 78 LYS CB C 78 28.333 28.333 31.614 -3.281 18098 5624 1 10 . 1 1 78 78 LYS H H 78 7.420 7.420 8.527 -1.107 18098 5625 1 10 . 1 1 79 79 ASN N N 79 120.318 120.318 121.040 -0.722 18098 5626 1 10 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.811 -0.014 18098 5627 1 10 . 1 1 79 79 ASN C C 79 175.581 175.581 174.396 1.185 18098 5628 1 10 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.465 -1.870 18098 5629 1 10 . 1 1 79 79 ASN CB C 79 36.999 36.999 37.491 -0.492 18098 5630 1 10 . 1 1 79 79 ASN H H 79 8.828 8.828 7.568 1.260 18098 5631 1 10 . 1 1 80 80 PHE N N 80 120.545 120.545 119.344 1.201 18098 5632 1 10 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.914 -0.045 18098 5633 1 10 . 1 1 80 80 PHE C C 80 177.311 177.311 177.115 0.196 18098 5634 1 10 . 1 1 80 80 PHE CA C 80 56.745 56.745 58.600 -1.855 18098 5635 1 10 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.844 -0.633 18098 5636 1 10 . 1 1 80 80 PHE H H 80 7.581 7.581 7.572 0.009 18098 5637 1 10 . 1 1 81 81 LYS N N 81 118.568 118.568 121.341 -2.773 18098 5638 1 10 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.184 -0.122 18098 5639 1 10 . 1 1 81 81 LYS C C 81 177.845 177.845 177.875 -0.030 18098 5640 1 10 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.750 -0.242 18098 5641 1 10 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.904 0.187 18098 5642 1 10 . 1 1 81 81 LYS H H 81 7.999 7.999 7.872 0.127 18098 5643 1 10 . 1 1 82 82 THR N N 82 111.828 111.828 112.163 -0.335 18098 5644 1 10 . 1 1 82 82 THR HA H 82 4.098 4.098 4.134 -0.036 18098 5645 1 10 . 1 1 82 82 THR C C 82 174.556 174.556 175.145 -0.589 18098 5646 1 10 . 1 1 82 82 THR CA C 82 63.796 63.796 63.405 0.391 18098 5647 1 10 . 1 1 82 82 THR CB C 82 68.509 68.509 68.938 -0.429 18098 5648 1 10 . 1 1 82 82 THR H H 82 7.419 7.419 8.202 -0.783 18098 5649 1 10 . 1 1 83 83 SER N N 83 115.546 115.546 118.065 -2.519 18098 5650 1 10 . 1 1 83 83 SER HA H 83 5.000 5.000 5.044 -0.044 18098 5651 1 10 . 1 1 83 83 SER C C 83 170.371 170.371 172.481 -2.110 18098 5652 1 10 . 1 1 83 83 SER CA C 83 54.673 54.673 56.480 -1.807 18098 5653 1 10 . 1 1 83 83 SER CB C 83 63.763 63.763 64.467 -0.704 18098 5654 1 10 . 1 1 83 83 SER H H 83 7.312 7.312 7.673 -0.361 18098 5655 1 10 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.866 -0.311 18098 5656 1 10 . 1 1 84 84 PRO C C 84 176.855 176.855 176.800 0.055 18098 5657 1 10 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.696 -0.156 18098 5658 1 10 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.515 -0.432 18098 5659 1 10 . 1 1 85 85 LEU N N 85 125.147 125.147 121.730 3.417 18098 5660 1 10 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.383 -0.570 18098 5661 1 10 . 1 1 85 85 LEU C C 85 175.168 175.168 175.438 -0.270 18098 5662 1 10 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.349 -0.012 18098 5663 1 10 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.346 1.014 18098 5664 1 10 . 1 1 85 85 LEU H H 85 8.171 8.171 8.442 -0.271 18098 5665 1 10 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.660 -0.151 18098 5666 1 10 . 1 1 86 86 PRO C C 86 177.111 177.111 176.756 0.355 18098 5667 1 10 . 1 1 86 86 PRO CA C 86 62.261 62.261 61.932 0.329 18098 5668 1 10 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.958 -0.183 18098 5669 1 10 . 1 1 87 87 ASP N N 87 123.224 123.224 120.565 2.659 18098 5670 1 10 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.301 -0.146 18098 5671 1 10 . 1 1 87 87 ASP C C 87 178.392 178.392 177.228 1.164 18098 5672 1 10 . 1 1 87 87 ASP CA C 87 57.499 57.499 56.583 0.916 18098 5673 1 10 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.516 -0.396 18098 5674 1 10 . 1 1 87 87 ASP H H 87 8.649 8.649 8.542 0.107 18098 5675 1 10 . 1 1 88 88 LYS N N 88 115.960 115.960 116.953 -0.993 18098 5676 1 10 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.890 -0.059 18098 5677 1 10 . 1 1 88 88 LYS C C 88 176.585 176.585 176.422 0.163 18098 5678 1 10 . 1 1 88 88 LYS CA C 88 58.259 58.259 57.927 0.332 18098 5679 1 10 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.482 0.252 18098 5680 1 10 . 1 1 88 88 LYS H H 88 8.344 8.344 8.039 0.305 18098 5681 1 10 . 1 1 89 89 TRP N N 89 116.821 116.821 117.294 -0.473 18098 5682 1 10 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.736 0.078 18098 5683 1 10 . 1 1 89 89 TRP C C 89 176.329 176.329 175.700 0.629 18098 5684 1 10 . 1 1 89 89 TRP CA C 89 56.147 56.147 55.508 0.639 18098 5685 1 10 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.225 1.277 18098 5686 1 10 . 1 1 89 89 TRP H H 89 7.145 7.145 7.181 -0.036 18098 5687 1 10 . 1 1 90 90 ALA N N 90 122.680 122.680 124.277 -1.597 18098 5688 1 10 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.113 -0.247 18098 5689 1 10 . 1 1 90 90 ALA C C 90 177.965 177.965 176.912 1.053 18098 5690 1 10 . 1 1 90 90 ALA CA C 90 54.711 54.711 53.241 1.470 18098 5691 1 10 . 1 1 90 90 ALA CB C 90 18.379 18.379 17.662 0.717 18098 5692 1 10 . 1 1 90 90 ALA H H 90 7.456 7.456 7.432 0.024 18098 5693 1 10 . 1 1 91 91 ASN N N 91 114.054 114.054 118.130 -4.076 18098 5694 1 10 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.395 0.420 18098 5695 1 10 . 1 1 91 91 ASN C C 91 174.727 174.727 174.740 -0.013 18098 5696 1 10 . 1 1 91 91 ASN CA C 91 52.389 52.389 53.887 -1.498 18098 5697 1 10 . 1 1 91 91 ASN CB C 91 38.707 38.707 37.055 1.652 18098 5698 1 10 . 1 1 91 91 ASN H H 91 8.318 8.318 8.551 -0.233 18098 5699 1 10 . 1 1 92 92 SER N N 92 113.359 113.359 115.174 -1.815 18098 5700 1 10 . 1 1 92 92 SER HA H 92 4.649 4.649 4.320 0.329 18098 5701 1 10 . 1 1 92 92 SER C C 92 177.033 177.033 175.596 1.437 18098 5702 1 10 . 1 1 92 92 SER CA C 92 57.599 57.599 59.176 -1.577 18098 5703 1 10 . 1 1 92 92 SER CB C 92 64.454 64.454 64.864 -0.410 18098 5704 1 10 . 1 1 92 92 SER H H 92 7.255 7.255 7.762 -0.507 18098 5705 1 10 . 1 1 93 93 LYS N N 93 133.672 133.672 128.797 4.875 18098 5706 1 10 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.089 0.041 18098 5707 1 10 . 1 1 93 93 LYS C C 93 178.763 178.763 178.339 0.424 18098 5708 1 10 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.184 -0.054 18098 5709 1 10 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.309 -0.226 18098 5710 1 10 . 1 1 93 93 LYS H H 93 9.608 9.608 9.023 0.585 18098 5711 1 10 . 1 1 94 94 LEU N N 94 122.086 122.086 119.714 2.372 18098 5712 1 10 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.185 0.166 18098 5713 1 10 . 1 1 94 94 LEU C C 94 178.663 178.663 178.475 0.188 18098 5714 1 10 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.034 -0.798 18098 5715 1 10 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.764 -0.603 18098 5716 1 10 . 1 1 94 94 LEU H H 94 8.000 8.000 8.289 -0.289 18098 5717 1 10 . 1 1 95 95 LEU N N 95 118.720 118.720 118.934 -0.214 18098 5718 1 10 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.855 0.070 18098 5719 1 10 . 1 1 95 95 LEU C C 95 178.530 178.530 178.483 0.047 18098 5720 1 10 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.000 -0.619 18098 5721 1 10 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.715 -0.791 18098 5722 1 10 . 1 1 95 95 LEU H H 95 7.997 7.997 7.545 0.452 18098 5723 1 10 . 1 1 96 96 LYS N N 96 117.880 117.880 118.812 -0.932 18098 5724 1 10 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.275 -0.019 18098 5725 1 10 . 1 1 96 96 LYS C C 96 179.147 179.147 179.510 -0.363 18098 5726 1 10 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.525 -0.063 18098 5727 1 10 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.114 -0.194 18098 5728 1 10 . 1 1 96 96 LYS H H 96 7.341 7.341 7.907 -0.566 18098 5729 1 10 . 1 1 97 97 GLN N N 97 119.660 119.660 118.044 1.616 18098 5730 1 10 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.291 -0.097 18098 5731 1 10 . 1 1 97 97 GLN C C 97 179.040 179.040 178.681 0.359 18098 5732 1 10 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.479 0.603 18098 5733 1 10 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.573 0.474 18098 5734 1 10 . 1 1 97 97 GLN H H 97 8.007 8.007 7.729 0.278 18098 5735 1 10 . 1 1 98 98 LEU N N 98 122.983 122.983 121.739 1.244 18098 5736 1 10 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.994 -0.143 18098 5737 1 10 . 1 1 98 98 LEU C C 98 178.841 178.841 178.671 0.170 18098 5738 1 10 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.524 0.557 18098 5739 1 10 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.461 0.435 18098 5740 1 10 . 1 1 98 98 LEU H H 98 8.425 8.425 7.977 0.448 18098 5741 1 10 . 1 1 99 99 GLN N N 99 119.099 119.099 119.112 -0.013 18098 5742 1 10 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.421 0.219 18098 5743 1 10 . 1 1 99 99 GLN C C 99 179.660 179.660 178.912 0.748 18098 5744 1 10 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.822 -1.006 18098 5745 1 10 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.762 -1.345 18098 5746 1 10 . 1 1 99 99 GLN H H 99 8.594 8.594 8.441 0.153 18098 5747 1 10 . 1 1 100 100 GLU N N 100 120.803 120.803 119.563 1.240 18098 5748 1 10 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.150 -0.039 18098 5749 1 10 . 1 1 100 100 GLU C C 100 178.870 178.870 178.968 -0.098 18098 5750 1 10 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.944 0.505 18098 5751 1 10 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.415 -0.035 18098 5752 1 10 . 1 1 100 100 GLU H H 100 8.353 8.353 8.029 0.324 18098 5753 1 10 . 1 1 101 101 PHE N N 101 120.752 120.752 121.574 -0.822 18098 5754 1 10 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.391 0.082 18098 5755 1 10 . 1 1 101 101 PHE C C 101 177.289 177.289 177.080 0.209 18098 5756 1 10 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.885 0.232 18098 5757 1 10 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.301 0.402 18098 5758 1 10 . 1 1 101 101 PHE H H 101 8.544 8.544 8.253 0.291 18098 5759 1 10 . 1 1 102 102 SER N N 102 112.889 112.889 114.623 -1.734 18098 5760 1 10 . 1 1 102 102 SER HA H 102 3.821 3.821 3.860 -0.039 18098 5761 1 10 . 1 1 102 102 SER C C 102 176.414 176.414 176.943 -0.529 18098 5762 1 10 . 1 1 102 102 SER CA C 102 61.123 61.123 62.250 -1.127 18098 5763 1 10 . 1 1 102 102 SER CB C 102 63.193 63.193 62.877 0.316 18098 5764 1 10 . 1 1 102 102 SER H H 102 8.314 8.314 8.230 0.084 18098 5765 1 10 . 1 1 103 103 GLU N N 103 118.066 118.066 120.437 -2.371 18098 5766 1 10 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.057 0.057 18098 5767 1 10 . 1 1 103 103 GLU C C 103 177.375 177.375 178.145 -0.770 18098 5768 1 10 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.807 -1.006 18098 5769 1 10 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.400 0.626 18098 5770 1 10 . 1 1 103 103 GLU H H 103 7.809 7.809 7.690 0.119 18098 5771 1 10 . 1 1 104 104 ASN N N 104 117.241 117.241 116.141 1.100 18098 5772 1 10 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.819 -0.172 18098 5773 1 10 . 1 1 104 104 ASN C C 104 175.752 175.752 176.228 -0.476 18098 5774 1 10 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.525 1.214 18098 5775 1 10 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.480 0.142 18098 5776 1 10 . 1 1 104 104 ASN H H 104 7.917 7.917 7.696 0.221 18098 5777 1 10 . 1 1 105 105 LYS N N 105 121.903 121.903 121.412 0.491 18098 5778 1 10 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.325 0.743 18098 5779 1 10 . 1 1 105 105 LYS C C 105 177.311 177.311 176.821 0.490 18098 5780 1 10 . 1 1 105 105 LYS CA C 105 57.374 57.374 59.157 -1.783 18098 5781 1 10 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.188 -0.151 18098 5782 1 10 . 1 1 105 105 LYS H H 105 8.093 8.093 7.583 0.510 18098 5783 1 10 . 1 1 106 106 GLU N N 106 119.595 119.595 116.284 3.311 18098 5784 1 10 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.400 -0.131 18098 5785 1 10 . 1 1 106 106 GLU C C 106 176.585 176.585 177.193 -0.608 18098 5786 1 10 . 1 1 106 106 GLU CA C 106 56.691 56.691 57.181 -0.490 18098 5787 1 10 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.968 -0.268 18098 5788 1 10 . 1 1 106 106 GLU H H 106 8.200 8.200 8.356 -0.156 18098 5789 1 10 . 1 1 107 107 LYS N N 107 120.538 120.538 117.572 2.966 18098 5790 1 10 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.490 -0.223 18098 5791 1 10 . 1 1 107 107 LYS C C 107 176.435 176.435 176.199 0.236 18098 5792 1 10 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.612 0.840 18098 5793 1 10 . 1 1 107 107 LYS CB C 107 33.110 33.110 32.575 0.535 18098 5794 1 10 . 1 1 107 107 LYS H H 107 7.838 7.838 7.729 0.109 18098 5795 1 10 . 1 1 108 108 GLU N N 108 122.869 122.869 121.846 1.023 18098 5796 1 10 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.154 0.163 18098 5797 1 10 . 1 1 108 108 GLU C C 108 175.403 175.403 176.517 -1.114 18098 5798 1 10 . 1 1 108 108 GLU CA C 108 56.565 56.565 56.545 0.020 18098 5799 1 10 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.202 -0.145 18098 5800 1 10 . 1 1 108 108 GLU H H 108 8.313 8.313 7.732 0.581 18098 5801 1 11 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.402 0.240 18098 5802 1 11 . 1 1 10 10 HIS C C 10 174.891 174.891 174.294 0.597 18098 5803 1 11 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.854 0.176 18098 5804 1 11 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.014 0.099 18098 5805 1 11 . 1 1 11 11 MET N N 11 121.211 121.211 128.227 -7.016 18098 5806 1 11 . 1 1 11 11 MET HA H 11 4.417 4.417 4.325 0.092 18098 5807 1 11 . 1 1 11 11 MET C C 11 175.709 175.709 175.633 0.076 18098 5808 1 11 . 1 1 11 11 MET CA C 11 55.405 55.405 56.167 -0.762 18098 5809 1 11 . 1 1 11 11 MET CB C 11 32.776 32.776 31.956 0.821 18098 5810 1 11 . 1 1 11 11 MET H H 11 8.179 8.179 8.368 -0.189 18098 5811 1 11 . 1 1 12 12 ILE N N 12 122.511 122.511 124.049 -1.538 18098 5812 1 11 . 1 1 12 12 ILE HA H 12 4.123 4.123 3.914 0.209 18098 5813 1 11 . 1 1 12 12 ILE C C 12 175.809 175.809 175.758 0.051 18098 5814 1 11 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.820 -1.018 18098 5815 1 11 . 1 1 12 12 ILE CB C 12 38.531 38.531 38.140 0.391 18098 5816 1 11 . 1 1 12 12 ILE H H 12 8.088 8.088 8.314 -0.226 18098 5817 1 11 . 1 1 13 13 LYS N N 13 126.072 126.072 128.540 -2.468 18098 5818 1 11 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.302 0.026 18098 5819 1 11 . 1 1 13 13 LYS C C 13 176.108 176.108 176.465 -0.357 18098 5820 1 11 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.419 -0.366 18098 5821 1 11 . 1 1 13 13 LYS CB C 13 32.915 32.915 30.577 2.338 18098 5822 1 11 . 1 1 13 13 LYS H H 13 8.381 8.381 8.691 -0.310 18098 5823 1 11 . 1 1 14 14 ARG N N 14 123.714 123.714 120.733 2.981 18098 5824 1 11 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.176 0.268 18098 5825 1 11 . 1 1 14 14 ARG C C 14 176.428 176.428 176.672 -0.244 18098 5826 1 11 . 1 1 14 14 ARG CA C 14 55.742 55.742 58.501 -2.759 18098 5827 1 11 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.627 0.154 18098 5828 1 11 . 1 1 14 14 ARG H H 14 8.484 8.484 7.967 0.517 18098 5829 1 11 . 1 1 15 15 THR N N 15 115.338 115.338 112.982 2.356 18098 5830 1 11 . 1 1 15 15 THR HA H 15 4.367 4.367 4.288 0.079 18098 5831 1 11 . 1 1 15 15 THR C C 15 174.172 174.172 174.814 -0.642 18098 5832 1 11 . 1 1 15 15 THR CA C 15 61.501 61.501 63.072 -1.571 18098 5833 1 11 . 1 1 15 15 THR CB C 15 69.868 69.868 67.495 2.373 18098 5834 1 11 . 1 1 15 15 THR H H 15 8.279 8.279 7.930 0.349 18098 5835 1 11 . 1 1 16 16 ASN N N 16 120.727 120.727 123.348 -2.621 18098 5836 1 11 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.675 0.003 18098 5837 1 11 . 1 1 16 16 ASN C C 16 174.482 174.482 175.206 -0.724 18098 5838 1 11 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.470 -0.398 18098 5839 1 11 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.584 -1.203 18098 5840 1 11 . 1 1 16 16 ASN H H 16 8.612 8.612 8.269 0.343 18098 5841 1 11 . 1 1 17 17 GLU N N 17 123.790 123.790 122.713 1.077 18098 5842 1 11 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.439 0.162 18098 5843 1 11 . 1 1 17 17 GLU C C 17 173.823 173.823 174.747 -0.924 18098 5844 1 11 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.967 -1.002 18098 5845 1 11 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.103 2.660 18098 5846 1 11 . 1 1 17 17 GLU H H 17 8.113 8.113 8.193 -0.080 18098 5847 1 11 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.386 0.129 18098 5848 1 11 . 1 1 18 18 PRO C C 18 177.709 177.709 176.945 0.764 18098 5849 1 11 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.489 0.277 18098 5850 1 11 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.366 0.115 18098 5851 1 11 . 1 1 19 19 LEU N N 19 123.760 123.760 123.595 0.165 18098 5852 1 11 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.091 -0.085 18098 5853 1 11 . 1 1 19 19 LEU C C 19 178.307 178.307 178.545 -0.238 18098 5854 1 11 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.829 0.634 18098 5855 1 11 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.372 0.426 18098 5856 1 11 . 1 1 19 19 LEU H H 19 8.720 8.720 8.515 0.205 18098 5857 1 11 . 1 1 20 20 ASP N N 20 115.650 115.650 118.946 -3.296 18098 5858 1 11 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.354 0.007 18098 5859 1 11 . 1 1 20 20 ASP C C 20 179.531 179.531 178.373 1.158 18098 5860 1 11 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.702 -0.615 18098 5861 1 11 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.619 -1.298 18098 5862 1 11 . 1 1 20 20 ASP H H 20 8.829 8.829 8.731 0.098 18098 5863 1 11 . 1 1 21 21 LYS N N 21 121.462 121.462 118.769 2.693 18098 5864 1 11 . 1 1 21 21 LYS HA H 21 4.132 4.132 3.988 0.144 18098 5865 1 11 . 1 1 21 21 LYS C C 21 178.421 178.421 178.768 -0.347 18098 5866 1 11 . 1 1 21 21 LYS CA C 21 58.283 58.283 59.287 -1.004 18098 5867 1 11 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.317 -0.337 18098 5868 1 11 . 1 1 21 21 LYS H H 21 7.352 7.352 7.509 -0.157 18098 5869 1 11 . 1 1 22 22 LYS N N 22 123.296 123.296 120.014 3.282 18098 5870 1 11 . 1 1 22 22 LYS HA H 22 3.990 3.990 3.989 0.001 18098 5871 1 11 . 1 1 22 22 LYS C C 22 178.179 178.179 178.591 -0.412 18098 5872 1 11 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.687 0.167 18098 5873 1 11 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.320 0.467 18098 5874 1 11 . 1 1 22 22 LYS H H 22 8.407 8.407 7.527 0.880 18098 5875 1 11 . 1 1 23 23 ARG N N 23 116.950 116.950 118.826 -1.876 18098 5876 1 11 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.942 -0.208 18098 5877 1 11 . 1 1 23 23 ARG C C 23 177.460 177.460 178.244 -0.784 18098 5878 1 11 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.609 0.896 18098 5879 1 11 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.183 0.084 18098 5880 1 11 . 1 1 23 23 ARG H H 23 8.594 8.594 7.830 0.764 18098 5881 1 11 . 1 1 24 24 ALA N N 24 118.391 118.391 120.604 -2.213 18098 5882 1 11 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.144 -0.100 18098 5883 1 11 . 1 1 24 24 ALA C C 24 180.514 180.514 180.015 0.499 18098 5884 1 11 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.956 0.113 18098 5885 1 11 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.225 -0.291 18098 5886 1 11 . 1 1 24 24 ALA H H 24 7.505 7.505 7.835 -0.330 18098 5887 1 11 . 1 1 25 25 ARG N N 25 120.413 120.413 118.916 1.497 18098 5888 1 11 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.157 0.050 18098 5889 1 11 . 1 1 25 25 ARG C C 25 178.058 178.058 179.111 -1.053 18098 5890 1 11 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.380 0.013 18098 5891 1 11 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.186 -0.574 18098 5892 1 11 . 1 1 25 25 ARG H H 25 8.291 8.291 7.996 0.295 18098 5893 1 11 . 1 1 26 26 LEU N N 26 119.205 119.205 120.537 -1.332 18098 5894 1 11 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.140 0.005 18098 5895 1 11 . 1 1 26 26 LEU C C 26 180.642 180.642 179.130 1.512 18098 5896 1 11 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.923 -0.148 18098 5897 1 11 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.127 -0.427 18098 5898 1 11 . 1 1 26 26 LEU H H 26 8.305 8.305 8.043 0.262 18098 5899 1 11 . 1 1 27 27 ILE N N 27 123.643 123.643 118.469 5.174 18098 5900 1 11 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.819 -0.218 18098 5901 1 11 . 1 1 27 27 ILE C C 27 177.716 177.716 178.607 -0.891 18098 5902 1 11 . 1 1 27 27 ILE CA C 27 66.152 66.152 64.904 1.248 18098 5903 1 11 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.816 0.025 18098 5904 1 11 . 1 1 27 27 ILE H H 27 8.488 8.488 7.610 0.878 18098 5905 1 11 . 1 1 28 28 TYR N N 28 121.443 121.443 120.353 1.090 18098 5906 1 11 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.065 0.150 18098 5907 1 11 . 1 1 28 28 TYR C C 28 178.656 178.656 178.028 0.628 18098 5908 1 11 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.501 -0.058 18098 5909 1 11 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.242 -0.408 18098 5910 1 11 . 1 1 28 28 TYR H H 28 7.832 7.832 8.136 -0.304 18098 5911 1 11 . 1 1 29 29 GLN N N 29 115.999 115.999 117.378 -1.379 18098 5912 1 11 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.744 0.117 18098 5913 1 11 . 1 1 29 29 GLN C C 29 178.537 178.537 178.164 0.373 18098 5914 1 11 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.352 -0.155 18098 5915 1 11 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.609 0.679 18098 5916 1 11 . 1 1 29 29 GLN H H 29 8.965 8.965 7.906 1.059 18098 5917 1 11 . 1 1 30 30 SER N N 30 115.599 115.599 113.403 2.196 18098 5918 1 11 . 1 1 30 30 SER HA H 30 4.100 4.100 4.256 -0.156 18098 5919 1 11 . 1 1 30 30 SER C C 30 171.004 171.004 175.563 -4.559 18098 5920 1 11 . 1 1 30 30 SER CA C 30 61.818 61.818 60.761 1.057 18098 5921 1 11 . 1 1 30 30 SER CB C 30 63.196 63.196 63.062 0.134 18098 5922 1 11 . 1 1 30 30 SER H H 30 7.643 7.643 7.847 -0.204 18098 5923 1 11 . 1 1 31 31 ARG N N 31 114.000 114.000 120.275 -6.275 18098 5924 1 11 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.438 0.188 18098 5925 1 11 . 1 1 31 31 ARG C C 31 176.556 176.556 175.942 0.614 18098 5926 1 11 . 1 1 31 31 ARG CA C 31 55.010 55.010 55.912 -0.902 18098 5927 1 11 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.644 0.015 18098 5928 1 11 . 1 1 31 31 ARG H H 31 6.987 6.987 7.287 -0.300 18098 5929 1 11 . 1 1 32 32 LYS N N 32 120.507 120.507 120.724 -0.217 18098 5930 1 11 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.395 0.110 18098 5931 1 11 . 1 1 32 32 LYS C C 32 176.577 176.577 175.964 0.613 18098 5932 1 11 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.822 -1.631 18098 5933 1 11 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.505 -1.435 18098 5934 1 11 . 1 1 32 32 LYS H H 32 7.245 7.245 7.240 0.005 18098 5935 1 11 . 1 1 33 33 ARG N N 33 119.630 119.630 122.667 -3.037 18098 5936 1 11 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.358 0.118 18098 5937 1 11 . 1 1 33 33 ARG C C 33 177.289 177.289 176.264 1.025 18098 5938 1 11 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.368 -2.979 18098 5939 1 11 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.737 -5.394 18098 5940 1 11 . 1 1 33 33 ARG H H 33 8.831 8.831 8.288 0.543 18098 5941 1 11 . 1 1 34 34 GLY N N 34 107.776 107.776 109.658 -1.882 18098 5942 1 11 . 1 1 34 34 GLY CA C 34 45.913 45.913 46.098 -0.185 18098 5943 1 11 . 1 1 34 34 GLY H H 34 8.652 8.652 8.467 0.185 18098 5944 1 11 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.179 0.167 18098 5945 1 11 . 1 1 35 35 ILE C C 35 175.624 175.624 175.336 0.288 18098 5946 1 11 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.336 -1.332 18098 5947 1 11 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.982 -1.099 18098 5948 1 11 . 1 1 35 35 ILE H H 35 6.841 6.841 6.946 -0.105 18098 5949 1 11 . 1 1 36 36 LEU N N 36 128.200 128.200 124.491 3.709 18098 5950 1 11 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.058 -0.118 18098 5951 1 11 . 1 1 36 36 LEU C C 36 177.994 177.994 178.024 -0.030 18098 5952 1 11 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.268 0.750 18098 5953 1 11 . 1 1 36 36 LEU CB C 36 41.883 41.883 41.502 0.381 18098 5954 1 11 . 1 1 36 36 LEU H H 36 8.518 8.518 8.606 -0.088 18098 5955 1 11 . 1 1 37 37 GLU N N 37 118.515 118.515 118.418 0.097 18098 5956 1 11 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.703 -0.163 18098 5957 1 11 . 1 1 37 37 GLU C C 37 179.332 179.332 178.294 1.038 18098 5958 1 11 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.479 2.028 18098 5959 1 11 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.506 0.229 18098 5960 1 11 . 1 1 37 37 GLU H H 37 9.964 9.964 8.431 1.533 18098 5961 1 11 . 1 1 38 38 THR N N 38 111.283 111.283 113.491 -2.208 18098 5962 1 11 . 1 1 38 38 THR HA H 38 3.867 3.867 4.031 -0.164 18098 5963 1 11 . 1 1 38 38 THR C C 38 175.061 175.061 176.146 -1.085 18098 5964 1 11 . 1 1 38 38 THR CA C 38 65.735 65.735 65.953 -0.218 18098 5965 1 11 . 1 1 38 38 THR CB C 38 67.623 67.623 67.912 -0.289 18098 5966 1 11 . 1 1 38 38 THR H H 38 6.425 6.425 7.640 -1.215 18098 5967 1 11 . 1 1 39 39 ASP N N 39 124.325 124.325 123.500 0.825 18098 5968 1 11 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.349 0.164 18098 5969 1 11 . 1 1 39 39 ASP C C 39 179.225 179.225 178.532 0.693 18098 5970 1 11 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.485 -0.387 18098 5971 1 11 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.785 1.098 18098 5972 1 11 . 1 1 39 39 ASP H H 39 7.997 7.997 7.391 0.606 18098 5973 1 11 . 1 1 40 40 LEU N N 40 118.757 118.757 119.296 -0.539 18098 5974 1 11 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.067 -0.056 18098 5975 1 11 . 1 1 40 40 LEU C C 40 180.528 180.528 179.376 1.152 18098 5976 1 11 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.580 0.512 18098 5977 1 11 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.803 -0.005 18098 5978 1 11 . 1 1 40 40 LEU H H 40 8.623 8.623 8.012 0.611 18098 5979 1 11 . 1 1 41 41 LEU N N 41 119.923 119.923 120.956 -1.033 18098 5980 1 11 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.297 0.096 18098 5981 1 11 . 1 1 41 41 LEU C C 41 177.631 177.631 178.590 -0.959 18098 5982 1 11 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.370 -0.013 18098 5983 1 11 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.094 1.245 18098 5984 1 11 . 1 1 41 41 LEU H H 41 7.382 7.382 7.344 0.038 18098 5985 1 11 . 1 1 42 42 LEU N N 42 115.623 115.623 118.256 -2.633 18098 5986 1 11 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.054 0.219 18098 5987 1 11 . 1 1 42 42 LEU C C 42 179.489 179.489 179.353 0.136 18098 5988 1 11 . 1 1 42 42 LEU CA C 42 57.569 57.569 58.044 -0.475 18098 5989 1 11 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.625 -1.141 18098 5990 1 11 . 1 1 42 42 LEU H H 42 8.963 8.963 8.501 0.462 18098 5991 1 11 . 1 1 43 43 SER N N 43 115.349 115.349 115.053 0.296 18098 5992 1 11 . 1 1 43 43 SER HA H 43 4.039 4.039 4.304 -0.265 18098 5993 1 11 . 1 1 43 43 SER C C 43 178.200 178.200 177.057 1.143 18098 5994 1 11 . 1 1 43 43 SER CA C 43 62.665 62.665 62.567 0.098 18098 5995 1 11 . 1 1 43 43 SER CB C 43 62.476 62.476 62.953 -0.477 18098 5996 1 11 . 1 1 43 43 SER H H 43 8.535 8.535 8.531 0.004 18098 5997 1 11 . 1 1 44 44 GLY N N 44 110.034 110.034 109.724 0.310 18098 5998 1 11 . 1 1 44 44 GLY C C 44 175.624 175.624 175.516 0.108 18098 5999 1 11 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.880 0.264 18098 6000 1 11 . 1 1 44 44 GLY H H 44 7.812 7.812 7.847 -0.035 18098 6001 1 11 . 1 1 45 45 PHE N N 45 125.487 125.487 122.288 3.199 18098 6002 1 11 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.497 -0.559 18098 6003 1 11 . 1 1 45 45 PHE C C 45 177.482 177.482 176.517 0.965 18098 6004 1 11 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.716 0.529 18098 6005 1 11 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.863 1.056 18098 6006 1 11 . 1 1 45 45 PHE H H 45 8.542 8.542 7.941 0.601 18098 6007 1 11 . 1 1 46 46 ALA N N 46 121.034 121.034 121.548 -0.514 18098 6008 1 11 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.841 -0.109 18098 6009 1 11 . 1 1 46 46 ALA C C 46 179.916 179.916 178.912 1.004 18098 6010 1 11 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.712 -0.004 18098 6011 1 11 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.123 -0.026 18098 6012 1 11 . 1 1 46 46 ALA H H 46 9.262 9.262 8.073 1.189 18098 6013 1 11 . 1 1 47 47 ALA N N 47 117.642 117.642 119.324 -1.682 18098 6014 1 11 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.164 -0.193 18098 6015 1 11 . 1 1 47 47 ALA C C 47 178.250 178.250 178.320 -0.070 18098 6016 1 11 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.048 0.335 18098 6017 1 11 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.552 -0.351 18098 6018 1 11 . 1 1 47 47 ALA H H 47 7.481 7.481 7.709 -0.228 18098 6019 1 11 . 1 1 48 48 LYS N N 48 115.388 115.388 117.575 -2.187 18098 6020 1 11 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.076 0.024 18098 6021 1 11 . 1 1 48 48 LYS C C 48 177.845 177.845 178.329 -0.484 18098 6022 1 11 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.370 -0.610 18098 6023 1 11 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.256 0.530 18098 6024 1 11 . 1 1 48 48 LYS H H 48 7.056 7.056 7.551 -0.495 18098 6025 1 11 . 1 1 49 49 TYR N N 49 112.714 112.714 117.554 -4.840 18098 6026 1 11 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.070 0.226 18098 6027 1 11 . 1 1 49 49 TYR C C 49 178.272 178.272 178.250 0.022 18098 6028 1 11 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.206 -1.083 18098 6029 1 11 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.182 2.078 18098 6030 1 11 . 1 1 49 49 TYR H H 49 7.941 7.941 7.983 -0.042 18098 6031 1 11 . 1 1 50 50 LEU N N 50 120.890 120.890 119.485 1.405 18098 6032 1 11 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.984 -0.009 18098 6033 1 11 . 1 1 50 50 LEU C C 50 180.108 180.108 178.354 1.754 18098 6034 1 11 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.516 2.193 18098 6035 1 11 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.149 -0.312 18098 6036 1 11 . 1 1 50 50 LEU H H 50 7.945 7.945 7.920 0.025 18098 6037 1 11 . 1 1 51 51 LYS N N 51 115.335 115.335 118.579 -3.244 18098 6038 1 11 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.054 -0.196 18098 6039 1 11 . 1 1 51 51 LYS C C 51 176.051 176.051 177.259 -1.208 18098 6040 1 11 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.395 0.410 18098 6041 1 11 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.270 -0.763 18098 6042 1 11 . 1 1 51 51 LYS H H 51 8.463 8.463 8.084 0.379 18098 6043 1 11 . 1 1 52 52 LYS N N 52 115.175 115.175 116.215 -1.040 18098 6044 1 11 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.324 0.086 18098 6045 1 11 . 1 1 52 52 LYS C C 52 176.777 176.777 176.610 0.167 18098 6046 1 11 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.896 -0.811 18098 6047 1 11 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.374 -0.258 18098 6048 1 11 . 1 1 52 52 LYS H H 52 7.232 7.232 7.662 -0.430 18098 6049 1 11 . 1 1 53 53 MET N N 53 120.127 120.127 120.323 -0.196 18098 6050 1 11 . 1 1 53 53 MET HA H 53 4.485 4.485 4.270 0.215 18098 6051 1 11 . 1 1 53 53 MET C C 53 176.179 176.179 175.694 0.485 18098 6052 1 11 . 1 1 53 53 MET CA C 53 57.091 57.091 56.087 1.004 18098 6053 1 11 . 1 1 53 53 MET CB C 53 34.125 34.125 33.637 0.488 18098 6054 1 11 . 1 1 53 53 MET H H 53 7.175 7.175 7.536 -0.361 18098 6055 1 11 . 1 1 54 54 ASN N N 54 120.819 120.819 123.629 -2.810 18098 6056 1 11 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.851 -0.086 18098 6057 1 11 . 1 1 54 54 ASN C C 54 175.154 175.154 176.005 -0.851 18098 6058 1 11 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.710 -1.769 18098 6059 1 11 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.315 -0.780 18098 6060 1 11 . 1 1 54 54 ASN H H 54 9.045 9.045 8.761 0.284 18098 6061 1 11 . 1 1 55 55 GLU N N 55 116.971 116.971 122.213 -5.242 18098 6062 1 11 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.924 -0.100 18098 6063 1 11 . 1 1 55 55 GLU C C 55 178.122 178.122 178.103 0.019 18098 6064 1 11 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.630 0.622 18098 6065 1 11 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.473 0.196 18098 6066 1 11 . 1 1 55 55 GLU H H 55 8.891 8.891 8.924 -0.033 18098 6067 1 11 . 1 1 56 56 GLU N N 56 119.652 119.652 118.343 1.309 18098 6068 1 11 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.099 0.038 18098 6069 1 11 . 1 1 56 56 GLU C C 56 179.937 179.937 179.131 0.806 18098 6070 1 11 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.261 0.555 18098 6071 1 11 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.065 0.017 18098 6072 1 11 . 1 1 56 56 GLU H H 56 8.366 8.366 8.659 -0.293 18098 6073 1 11 . 1 1 57 57 GLU N N 57 122.119 122.119 119.499 2.620 18098 6074 1 11 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.222 0.043 18098 6075 1 11 . 1 1 57 57 GLU C C 57 179.332 179.332 179.122 0.210 18098 6076 1 11 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.788 0.371 18098 6077 1 11 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.291 0.009 18098 6078 1 11 . 1 1 57 57 GLU H H 57 8.491 8.491 8.425 0.066 18098 6079 1 11 . 1 1 58 58 LEU N N 58 119.424 119.424 119.501 -0.077 18098 6080 1 11 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.209 -0.073 18098 6081 1 11 . 1 1 58 58 LEU C C 58 179.218 179.218 179.432 -0.214 18098 6082 1 11 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.318 -0.633 18098 6083 1 11 . 1 1 58 58 LEU CB C 58 41.850 41.850 42.037 -0.187 18098 6084 1 11 . 1 1 58 58 LEU H H 58 8.693 8.693 8.357 0.336 18098 6085 1 11 . 1 1 59 59 GLU N N 59 118.813 118.813 118.317 0.496 18098 6086 1 11 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.089 0.211 18098 6087 1 11 . 1 1 59 59 GLU C C 59 179.361 179.361 178.878 0.483 18098 6088 1 11 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.447 -0.408 18098 6089 1 11 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.152 -0.047 18098 6090 1 11 . 1 1 59 59 GLU H H 59 8.009 8.009 8.037 -0.028 18098 6091 1 11 . 1 1 60 60 GLU N N 60 121.472 121.472 120.898 0.574 18098 6092 1 11 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.205 0.051 18098 6093 1 11 . 1 1 60 60 GLU C C 60 178.451 178.451 178.703 -0.252 18098 6094 1 11 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.873 0.776 18098 6095 1 11 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.453 0.311 18098 6096 1 11 . 1 1 60 60 GLU H H 60 7.867 7.867 7.745 0.122 18098 6097 1 11 . 1 1 61 61 TYR N N 61 121.955 121.955 120.226 1.729 18098 6098 1 11 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.318 -0.184 18098 6099 1 11 . 1 1 61 61 TYR C C 61 176.278 176.278 177.536 -1.258 18098 6100 1 11 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.017 1.154 18098 6101 1 11 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.731 -0.541 18098 6102 1 11 . 1 1 61 61 TYR H H 61 8.675 8.675 8.424 0.251 18098 6103 1 11 . 1 1 62 62 ASP N N 62 118.314 118.314 118.990 -0.676 18098 6104 1 11 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.220 0.043 18098 6105 1 11 . 1 1 62 62 ASP C C 62 178.464 178.464 178.568 -0.104 18098 6106 1 11 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.756 -1.011 18098 6107 1 11 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.613 0.932 18098 6108 1 11 . 1 1 62 62 ASP H H 62 8.481 8.481 8.210 0.271 18098 6109 1 11 . 1 1 63 63 SER N N 63 111.380 111.380 115.732 -4.352 18098 6110 1 11 . 1 1 63 63 SER HA H 63 4.361 4.361 4.263 0.098 18098 6111 1 11 . 1 1 63 63 SER C C 63 178.763 178.763 176.348 2.415 18098 6112 1 11 . 1 1 63 63 SER CA C 63 61.824 61.824 61.666 0.158 18098 6113 1 11 . 1 1 63 63 SER CB C 63 62.830 62.830 63.184 -0.353 18098 6114 1 11 . 1 1 63 63 SER H H 63 7.779 7.779 7.883 -0.104 18098 6115 1 11 . 1 1 64 64 LEU N N 64 127.444 127.444 121.373 6.071 18098 6116 1 11 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.214 -0.158 18098 6117 1 11 . 1 1 64 64 LEU C C 64 177.688 177.688 178.606 -0.918 18098 6118 1 11 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.413 0.638 18098 6119 1 11 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.974 -1.799 18098 6120 1 11 . 1 1 64 64 LEU H H 64 8.616 8.616 7.604 1.012 18098 6121 1 11 . 1 1 65 65 LEU N N 65 114.503 114.503 118.480 -3.977 18098 6122 1 11 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.909 -0.141 18098 6123 1 11 . 1 1 65 65 LEU C C 65 178.506 178.506 178.792 -0.286 18098 6124 1 11 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.117 -0.752 18098 6125 1 11 . 1 1 65 65 LEU CB C 65 40.463 40.463 41.034 -0.571 18098 6126 1 11 . 1 1 65 65 LEU H H 65 7.700 7.700 7.817 -0.117 18098 6127 1 11 . 1 1 66 66 ASN N N 66 116.208 116.208 114.575 1.633 18098 6128 1 11 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.756 -0.017 18098 6129 1 11 . 1 1 66 66 ASN C C 66 176.008 176.008 175.026 0.982 18098 6130 1 11 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.926 -0.040 18098 6131 1 11 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.956 0.303 18098 6132 1 11 . 1 1 66 66 ASN H H 66 7.533 7.533 7.738 -0.205 18098 6133 1 11 . 1 1 67 67 GLU N N 67 120.300 120.300 119.467 0.833 18098 6134 1 11 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.503 -0.014 18098 6135 1 11 . 1 1 67 67 GLU C C 67 175.410 175.410 175.416 -0.006 18098 6136 1 11 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.103 -0.137 18098 6137 1 11 . 1 1 67 67 GLU CB C 67 28.420 28.420 31.072 -2.652 18098 6138 1 11 . 1 1 67 67 GLU H H 67 7.948 7.948 7.486 0.462 18098 6139 1 11 . 1 1 68 68 LEU N N 68 120.037 120.037 122.435 -2.398 18098 6140 1 11 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.337 -0.207 18098 6141 1 11 . 1 1 68 68 LEU C C 68 178.720 178.720 177.483 1.237 18098 6142 1 11 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.860 -0.154 18098 6143 1 11 . 1 1 68 68 LEU CB C 68 41.508 41.508 43.739 -2.231 18098 6144 1 11 . 1 1 68 68 LEU H H 68 9.451 9.451 8.441 1.010 18098 6145 1 11 . 1 1 69 69 ASP N N 69 120.774 120.774 125.322 -4.548 18098 6146 1 11 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.072 0.105 18098 6147 1 11 . 1 1 69 69 ASP C C 69 179.446 179.446 177.545 1.901 18098 6148 1 11 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.239 1.398 18098 6149 1 11 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.667 1.187 18098 6150 1 11 . 1 1 69 69 ASP H H 69 8.445 8.445 8.574 -0.129 18098 6151 1 11 . 1 1 70 70 TRP N N 70 117.865 117.865 119.902 -2.037 18098 6152 1 11 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.054 0.064 18098 6153 1 11 . 1 1 70 70 TRP C C 70 176.983 176.983 178.383 -1.400 18098 6154 1 11 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.034 0.069 18098 6155 1 11 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.164 -0.773 18098 6156 1 11 . 1 1 70 70 TRP H H 70 8.809 8.809 7.728 1.081 18098 6157 1 11 . 1 1 71 71 ASP N N 71 116.993 116.993 118.991 -1.998 18098 6158 1 11 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.911 -0.049 18098 6159 1 11 . 1 1 71 71 ASP C C 71 175.218 175.218 177.759 -2.541 18098 6160 1 11 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.214 0.239 18098 6161 1 11 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.898 -1.175 18098 6162 1 11 . 1 1 71 71 ASP H H 71 6.134 6.134 7.501 -1.367 18098 6163 1 11 . 1 1 72 72 ILE N N 72 115.361 115.361 119.532 -4.171 18098 6164 1 11 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.284 -0.412 18098 6165 1 11 . 1 1 72 72 ILE C C 72 177.097 177.097 177.926 -0.829 18098 6166 1 11 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.872 1.247 18098 6167 1 11 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.624 0.655 18098 6168 1 11 . 1 1 72 72 ILE H H 72 7.302 7.302 7.277 0.025 18098 6169 1 11 . 1 1 73 73 TYR N N 73 116.121 116.121 120.387 -4.266 18098 6170 1 11 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.955 -0.214 18098 6171 1 11 . 1 1 73 73 TYR C C 73 178.827 178.827 177.131 1.696 18098 6172 1 11 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.805 0.345 18098 6173 1 11 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.597 -0.425 18098 6174 1 11 . 1 1 73 73 TYR H H 73 7.327 7.327 7.701 -0.374 18098 6175 1 11 . 1 1 74 74 TYR N N 74 121.029 121.029 118.276 2.753 18098 6176 1 11 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.346 -0.070 18098 6177 1 11 . 1 1 74 74 TYR C C 74 178.165 178.165 177.988 0.177 18098 6178 1 11 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.243 0.034 18098 6179 1 11 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.671 -1.887 18098 6180 1 11 . 1 1 74 74 TYR H H 74 8.922 8.922 7.807 1.115 18098 6181 1 11 . 1 1 75 75 TRP N N 75 121.118 121.118 119.909 1.209 18098 6182 1 11 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.150 0.605 18098 6183 1 11 . 1 1 75 75 TRP C C 75 180.599 180.599 178.578 2.021 18098 6184 1 11 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.185 -1.415 18098 6185 1 11 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.113 0.298 18098 6186 1 11 . 1 1 75 75 TRP H H 75 9.201 9.201 8.040 1.161 18098 6187 1 11 . 1 1 76 76 ALA N N 76 122.129 122.129 121.332 0.797 18098 6188 1 11 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.105 -0.149 18098 6189 1 11 . 1 1 76 76 ALA C C 76 177.546 177.546 179.557 -2.011 18098 6190 1 11 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.478 0.722 18098 6191 1 11 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.691 0.534 18098 6192 1 11 . 1 1 76 76 ALA H H 76 8.761 8.761 7.530 1.231 18098 6193 1 11 . 1 1 77 77 THR N N 77 102.584 102.584 106.938 -4.354 18098 6194 1 11 . 1 1 77 77 THR HA H 77 4.192 4.192 3.995 0.197 18098 6195 1 11 . 1 1 77 77 THR C C 77 173.425 173.425 174.454 -1.029 18098 6196 1 11 . 1 1 77 77 THR CA C 77 60.767 60.767 62.281 -1.514 18098 6197 1 11 . 1 1 77 77 THR CB C 77 69.573 69.573 68.399 1.174 18098 6198 1 11 . 1 1 77 77 THR H H 77 7.411 7.411 7.606 -0.195 18098 6199 1 11 . 1 1 78 78 LYS N N 78 116.069 116.069 115.886 0.183 18098 6200 1 11 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.281 -0.451 18098 6201 1 11 . 1 1 78 78 LYS C C 78 174.514 174.514 175.096 -0.582 18098 6202 1 11 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.327 -0.085 18098 6203 1 11 . 1 1 78 78 LYS CB C 78 28.333 28.333 29.459 -1.126 18098 6204 1 11 . 1 1 78 78 LYS H H 78 7.420 7.420 7.224 0.196 18098 6205 1 11 . 1 1 79 79 ASN N N 79 120.318 120.318 116.533 3.785 18098 6206 1 11 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.400 0.397 18098 6207 1 11 . 1 1 79 79 ASN C C 79 175.581 175.581 175.639 -0.058 18098 6208 1 11 . 1 1 79 79 ASN CA C 79 50.595 50.595 56.109 -5.514 18098 6209 1 11 . 1 1 79 79 ASN CB C 79 36.999 36.999 39.412 -2.413 18098 6210 1 11 . 1 1 79 79 ASN H H 79 8.828 8.828 7.517 1.311 18098 6211 1 11 . 1 1 80 80 PHE N N 80 120.545 120.545 111.347 9.198 18098 6212 1 11 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.507 0.362 18098 6213 1 11 . 1 1 80 80 PHE C C 80 177.311 177.311 177.363 -0.052 18098 6214 1 11 . 1 1 80 80 PHE CA C 80 56.745 56.745 60.013 -3.268 18098 6215 1 11 . 1 1 80 80 PHE CB C 80 38.211 38.211 36.352 1.859 18098 6216 1 11 . 1 1 80 80 PHE H H 80 7.581 7.581 7.720 -0.139 18098 6217 1 11 . 1 1 81 81 LYS N N 81 118.568 118.568 119.369 -0.801 18098 6218 1 11 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.250 -0.189 18098 6219 1 11 . 1 1 81 81 LYS C C 81 177.845 177.845 178.221 -0.376 18098 6220 1 11 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.268 0.240 18098 6221 1 11 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.297 -0.206 18098 6222 1 11 . 1 1 81 81 LYS H H 81 7.999 7.999 8.173 -0.174 18098 6223 1 11 . 1 1 82 82 THR N N 82 111.828 111.828 112.764 -0.936 18098 6224 1 11 . 1 1 82 82 THR HA H 82 4.098 4.098 4.187 -0.089 18098 6225 1 11 . 1 1 82 82 THR C C 82 174.556 174.556 174.972 -0.416 18098 6226 1 11 . 1 1 82 82 THR CA C 82 63.796 63.796 63.407 0.389 18098 6227 1 11 . 1 1 82 82 THR CB C 82 68.509 68.509 69.174 -0.665 18098 6228 1 11 . 1 1 82 82 THR H H 82 7.419 7.419 7.705 -0.286 18098 6229 1 11 . 1 1 83 83 SER N N 83 115.546 115.546 118.253 -2.707 18098 6230 1 11 . 1 1 83 83 SER HA H 83 5.000 5.000 5.070 -0.070 18098 6231 1 11 . 1 1 83 83 SER C C 83 170.371 170.371 172.542 -2.171 18098 6232 1 11 . 1 1 83 83 SER CA C 83 54.673 54.673 56.112 -1.439 18098 6233 1 11 . 1 1 83 83 SER CB C 83 63.763 63.763 64.031 -0.268 18098 6234 1 11 . 1 1 83 83 SER H H 83 7.312 7.312 7.700 -0.388 18098 6235 1 11 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.794 -0.239 18098 6236 1 11 . 1 1 84 84 PRO C C 84 176.855 176.855 176.659 0.196 18098 6237 1 11 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.742 -0.202 18098 6238 1 11 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.549 -0.466 18098 6239 1 11 . 1 1 85 85 LEU N N 85 125.147 125.147 122.033 3.114 18098 6240 1 11 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.592 -0.779 18098 6241 1 11 . 1 1 85 85 LEU C C 85 175.168 175.168 175.276 -0.108 18098 6242 1 11 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.166 0.171 18098 6243 1 11 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.717 0.644 18098 6244 1 11 . 1 1 85 85 LEU H H 85 8.171 8.171 8.398 -0.227 18098 6245 1 11 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.685 -0.177 18098 6246 1 11 . 1 1 86 86 PRO C C 86 177.111 177.111 176.620 0.491 18098 6247 1 11 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.081 0.180 18098 6248 1 11 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.946 -0.171 18098 6249 1 11 . 1 1 87 87 ASP N N 87 123.224 123.224 120.740 2.484 18098 6250 1 11 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.183 -0.028 18098 6251 1 11 . 1 1 87 87 ASP C C 87 178.392 178.392 177.755 0.637 18098 6252 1 11 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.195 0.304 18098 6253 1 11 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.567 -0.447 18098 6254 1 11 . 1 1 87 87 ASP H H 87 8.649 8.649 8.560 0.089 18098 6255 1 11 . 1 1 88 88 LYS N N 88 115.960 115.960 117.769 -1.809 18098 6256 1 11 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.886 -0.055 18098 6257 1 11 . 1 1 88 88 LYS C C 88 176.585 176.585 177.077 -0.492 18098 6258 1 11 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.349 -0.090 18098 6259 1 11 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.377 0.357 18098 6260 1 11 . 1 1 88 88 LYS H H 88 8.344 8.344 8.377 -0.033 18098 6261 1 11 . 1 1 89 89 TRP N N 89 116.821 116.821 118.609 -1.788 18098 6262 1 11 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.551 0.263 18098 6263 1 11 . 1 1 89 89 TRP C C 89 176.329 176.329 178.289 -1.960 18098 6264 1 11 . 1 1 89 89 TRP CA C 89 56.147 56.147 57.514 -1.367 18098 6265 1 11 . 1 1 89 89 TRP CB C 89 31.502 31.502 29.600 1.902 18098 6266 1 11 . 1 1 89 89 TRP H H 89 7.145 7.145 7.269 -0.124 18098 6267 1 11 . 1 1 90 90 ALA N N 90 122.680 122.680 123.468 -0.788 18098 6268 1 11 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.903 -0.037 18098 6269 1 11 . 1 1 90 90 ALA C C 90 177.965 177.965 177.719 0.246 18098 6270 1 11 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.916 -0.205 18098 6271 1 11 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.503 -0.124 18098 6272 1 11 . 1 1 90 90 ALA H H 90 7.456 7.456 7.602 -0.146 18098 6273 1 11 . 1 1 91 91 ASN N N 91 114.054 114.054 111.722 2.332 18098 6274 1 11 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.725 0.090 18098 6275 1 11 . 1 1 91 91 ASN C C 91 174.727 174.727 175.022 -0.295 18098 6276 1 11 . 1 1 91 91 ASN CA C 91 52.389 52.389 51.732 0.657 18098 6277 1 11 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.512 0.195 18098 6278 1 11 . 1 1 91 91 ASN H H 91 8.318 8.318 7.992 0.326 18098 6279 1 11 . 1 1 92 92 SER N N 92 113.359 113.359 116.502 -3.143 18098 6280 1 11 . 1 1 92 92 SER HA H 92 4.649 4.649 4.537 0.112 18098 6281 1 11 . 1 1 92 92 SER C C 92 177.033 177.033 175.524 1.509 18098 6282 1 11 . 1 1 92 92 SER CA C 92 57.599 57.599 57.711 -0.112 18098 6283 1 11 . 1 1 92 92 SER CB C 92 64.454 64.454 63.863 0.591 18098 6284 1 11 . 1 1 92 92 SER H H 92 7.255 7.255 7.666 -0.411 18098 6285 1 11 . 1 1 93 93 LYS N N 93 133.672 133.672 127.759 5.913 18098 6286 1 11 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.149 -0.019 18098 6287 1 11 . 1 1 93 93 LYS C C 93 178.763 178.763 178.604 0.159 18098 6288 1 11 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.161 -0.032 18098 6289 1 11 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.410 -0.327 18098 6290 1 11 . 1 1 93 93 LYS H H 93 9.608 9.608 8.939 0.669 18098 6291 1 11 . 1 1 94 94 LEU N N 94 122.086 122.086 120.367 1.719 18098 6292 1 11 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.154 0.197 18098 6293 1 11 . 1 1 94 94 LEU C C 94 178.663 178.663 178.286 0.377 18098 6294 1 11 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.131 -0.895 18098 6295 1 11 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.871 -0.710 18098 6296 1 11 . 1 1 94 94 LEU H H 94 8.000 8.000 8.002 -0.002 18098 6297 1 11 . 1 1 95 95 LEU N N 95 118.720 118.720 118.598 0.122 18098 6298 1 11 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.851 0.074 18098 6299 1 11 . 1 1 95 95 LEU C C 95 178.530 178.530 178.367 0.163 18098 6300 1 11 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.139 -0.758 18098 6301 1 11 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.792 -0.868 18098 6302 1 11 . 1 1 95 95 LEU H H 95 7.997 7.997 7.631 0.366 18098 6303 1 11 . 1 1 96 96 LYS N N 96 117.880 117.880 117.656 0.224 18098 6304 1 11 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.028 0.228 18098 6305 1 11 . 1 1 96 96 LYS C C 96 179.147 179.147 179.353 -0.206 18098 6306 1 11 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.749 -0.287 18098 6307 1 11 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.149 -0.229 18098 6308 1 11 . 1 1 96 96 LYS H H 96 7.341 7.341 7.546 -0.205 18098 6309 1 11 . 1 1 97 97 GLN N N 97 119.660 119.660 118.303 1.357 18098 6310 1 11 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.295 -0.101 18098 6311 1 11 . 1 1 97 97 GLN C C 97 179.040 179.040 178.543 0.497 18098 6312 1 11 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.041 1.041 18098 6313 1 11 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.537 0.510 18098 6314 1 11 . 1 1 97 97 GLN H H 97 8.007 8.007 8.289 -0.282 18098 6315 1 11 . 1 1 98 98 LEU N N 98 122.983 122.983 122.380 0.603 18098 6316 1 11 . 1 1 98 98 LEU HA H 98 3.851 3.851 4.139 -0.288 18098 6317 1 11 . 1 1 98 98 LEU C C 98 178.841 178.841 178.527 0.314 18098 6318 1 11 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.761 0.320 18098 6319 1 11 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.536 0.360 18098 6320 1 11 . 1 1 98 98 LEU H H 98 8.425 8.425 8.061 0.364 18098 6321 1 11 . 1 1 99 99 GLN N N 99 119.099 119.099 117.989 1.110 18098 6322 1 11 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.184 0.456 18098 6323 1 11 . 1 1 99 99 GLN C C 99 179.660 179.660 178.837 0.823 18098 6324 1 11 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.718 -0.901 18098 6325 1 11 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.568 -1.151 18098 6326 1 11 . 1 1 99 99 GLN H H 99 8.594 8.594 8.297 0.297 18098 6327 1 11 . 1 1 100 100 GLU N N 100 120.803 120.803 120.118 0.685 18098 6328 1 11 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.162 -0.051 18098 6329 1 11 . 1 1 100 100 GLU C C 100 178.870 178.870 178.750 0.120 18098 6330 1 11 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.040 0.409 18098 6331 1 11 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.596 -0.216 18098 6332 1 11 . 1 1 100 100 GLU H H 100 8.353 8.353 7.836 0.517 18098 6333 1 11 . 1 1 101 101 PHE N N 101 120.752 120.752 120.186 0.566 18098 6334 1 11 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.332 0.141 18098 6335 1 11 . 1 1 101 101 PHE C C 101 177.289 177.289 176.541 0.748 18098 6336 1 11 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.665 0.452 18098 6337 1 11 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.512 0.191 18098 6338 1 11 . 1 1 101 101 PHE H H 101 8.544 8.544 8.234 0.310 18098 6339 1 11 . 1 1 102 102 SER N N 102 112.889 112.889 113.596 -0.707 18098 6340 1 11 . 1 1 102 102 SER HA H 102 3.821 3.821 4.004 -0.183 18098 6341 1 11 . 1 1 102 102 SER C C 102 176.414 176.414 176.380 0.034 18098 6342 1 11 . 1 1 102 102 SER CA C 102 61.123 61.123 61.070 0.053 18098 6343 1 11 . 1 1 102 102 SER CB C 102 63.193 63.193 63.046 0.147 18098 6344 1 11 . 1 1 102 102 SER H H 102 8.314 8.314 8.136 0.178 18098 6345 1 11 . 1 1 103 103 GLU N N 103 118.066 118.066 120.350 -2.284 18098 6346 1 11 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.289 -0.175 18098 6347 1 11 . 1 1 103 103 GLU C C 103 177.375 177.375 177.803 -0.428 18098 6348 1 11 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.286 -0.485 18098 6349 1 11 . 1 1 103 103 GLU CB C 103 30.026 30.026 30.092 -0.066 18098 6350 1 11 . 1 1 103 103 GLU H H 103 7.809 7.809 7.704 0.105 18098 6351 1 11 . 1 1 104 104 ASN N N 104 117.241 117.241 117.311 -0.070 18098 6352 1 11 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.770 -0.123 18098 6353 1 11 . 1 1 104 104 ASN C C 104 175.752 175.752 176.904 -1.152 18098 6354 1 11 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.278 0.461 18098 6355 1 11 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.062 0.560 18098 6356 1 11 . 1 1 104 104 ASN H H 104 7.917 7.917 8.055 -0.138 18098 6357 1 11 . 1 1 105 105 LYS N N 105 121.903 121.903 120.624 1.279 18098 6358 1 11 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.589 0.479 18098 6359 1 11 . 1 1 105 105 LYS C C 105 177.311 177.311 177.716 -0.405 18098 6360 1 11 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.750 -1.376 18098 6361 1 11 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.879 0.158 18098 6362 1 11 . 1 1 105 105 LYS H H 105 8.093 8.093 7.522 0.571 18098 6363 1 11 . 1 1 106 106 GLU N N 106 119.595 119.595 116.785 2.810 18098 6364 1 11 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.474 -0.205 18098 6365 1 11 . 1 1 106 106 GLU C C 106 176.585 176.585 175.581 1.004 18098 6366 1 11 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.750 0.941 18098 6367 1 11 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.671 0.030 18098 6368 1 11 . 1 1 106 106 GLU H H 106 8.200 8.200 8.358 -0.158 18098 6369 1 11 . 1 1 107 107 LYS N N 107 120.538 120.538 121.529 -0.991 18098 6370 1 11 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.389 -0.122 18098 6371 1 11 . 1 1 107 107 LYS C C 107 176.435 176.435 175.651 0.784 18098 6372 1 11 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.890 0.562 18098 6373 1 11 . 1 1 107 107 LYS CB C 107 33.110 33.110 32.279 0.831 18098 6374 1 11 . 1 1 107 107 LYS H H 107 7.838 7.838 7.368 0.470 18098 6375 1 11 . 1 1 108 108 GLU N N 108 122.869 122.869 124.600 -1.731 18098 6376 1 11 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.498 -0.181 18098 6377 1 11 . 1 1 108 108 GLU C C 108 175.403 175.403 176.508 -1.105 18098 6378 1 11 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.719 0.846 18098 6379 1 11 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.929 -0.872 18098 6380 1 11 . 1 1 108 108 GLU H H 108 8.313 8.313 8.400 -0.087 18098 6381 1 12 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.713 -0.071 18098 6382 1 12 . 1 1 10 10 HIS C C 10 174.891 174.891 174.342 0.549 18098 6383 1 12 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.103 0.926 18098 6384 1 12 . 1 1 10 10 HIS CB C 10 30.113 30.113 31.960 -1.847 18098 6385 1 12 . 1 1 11 11 MET N N 11 121.211 121.211 122.629 -1.418 18098 6386 1 12 . 1 1 11 11 MET HA H 11 4.417 4.417 4.706 -0.289 18098 6387 1 12 . 1 1 11 11 MET C C 11 175.709 175.709 176.355 -0.646 18098 6388 1 12 . 1 1 11 11 MET CA C 11 55.405 55.405 54.786 0.619 18098 6389 1 12 . 1 1 11 11 MET CB C 11 32.776 32.776 31.529 1.247 18098 6390 1 12 . 1 1 11 11 MET H H 11 8.179 8.179 8.712 -0.533 18098 6391 1 12 . 1 1 12 12 ILE N N 12 122.511 122.511 126.865 -4.354 18098 6392 1 12 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.305 -0.182 18098 6393 1 12 . 1 1 12 12 ILE C C 12 175.809 175.809 175.509 0.300 18098 6394 1 12 . 1 1 12 12 ILE CA C 12 60.802 60.802 60.902 -0.100 18098 6395 1 12 . 1 1 12 12 ILE CB C 12 38.531 38.531 37.795 0.736 18098 6396 1 12 . 1 1 12 12 ILE H H 12 8.088 8.088 8.684 -0.596 18098 6397 1 12 . 1 1 13 13 LYS N N 13 126.072 126.072 129.214 -3.142 18098 6398 1 12 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.376 -0.048 18098 6399 1 12 . 1 1 13 13 LYS C C 13 176.108 176.108 175.956 0.152 18098 6400 1 12 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.392 -0.339 18098 6401 1 12 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.513 0.402 18098 6402 1 12 . 1 1 13 13 LYS H H 13 8.381 8.381 8.522 -0.141 18098 6403 1 12 . 1 1 14 14 ARG N N 14 123.714 123.714 124.933 -1.219 18098 6404 1 12 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.575 -0.131 18098 6405 1 12 . 1 1 14 14 ARG C C 14 176.428 176.428 175.417 1.011 18098 6406 1 12 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.497 0.245 18098 6407 1 12 . 1 1 14 14 ARG CB C 14 30.781 30.781 32.649 -1.868 18098 6408 1 12 . 1 1 14 14 ARG H H 14 8.484 8.484 8.310 0.174 18098 6409 1 12 . 1 1 15 15 THR N N 15 115.338 115.338 115.096 0.242 18098 6410 1 12 . 1 1 15 15 THR HA H 15 4.367 4.367 4.354 0.013 18098 6411 1 12 . 1 1 15 15 THR C C 15 174.172 174.172 175.125 -0.953 18098 6412 1 12 . 1 1 15 15 THR CA C 15 61.501 61.501 61.973 -0.472 18098 6413 1 12 . 1 1 15 15 THR CB C 15 69.868 69.868 69.248 0.620 18098 6414 1 12 . 1 1 15 15 THR H H 15 8.279 8.279 8.453 -0.174 18098 6415 1 12 . 1 1 16 16 ASN N N 16 120.727 120.727 126.034 -5.307 18098 6416 1 12 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.718 -0.040 18098 6417 1 12 . 1 1 16 16 ASN C C 16 174.482 174.482 173.959 0.523 18098 6418 1 12 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.538 -0.466 18098 6419 1 12 . 1 1 16 16 ASN CB C 16 38.381 38.381 37.918 0.463 18098 6420 1 12 . 1 1 16 16 ASN H H 16 8.612 8.612 8.765 -0.153 18098 6421 1 12 . 1 1 17 17 GLU N N 17 123.790 123.790 123.215 0.575 18098 6422 1 12 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.671 -0.070 18098 6423 1 12 . 1 1 17 17 GLU C C 17 173.823 173.823 174.247 -0.424 18098 6424 1 12 . 1 1 17 17 GLU CA C 17 53.965 53.965 53.690 0.275 18098 6425 1 12 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.676 1.087 18098 6426 1 12 . 1 1 17 17 GLU H H 17 8.113 8.113 7.776 0.337 18098 6427 1 12 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.504 0.011 18098 6428 1 12 . 1 1 18 18 PRO C C 18 177.709 177.709 177.609 0.100 18098 6429 1 12 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.147 0.618 18098 6430 1 12 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.477 0.004 18098 6431 1 12 . 1 1 19 19 LEU N N 19 123.760 123.760 122.332 1.428 18098 6432 1 12 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.111 -0.105 18098 6433 1 12 . 1 1 19 19 LEU C C 19 178.307 178.307 179.271 -0.964 18098 6434 1 12 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.554 0.909 18098 6435 1 12 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.255 0.543 18098 6436 1 12 . 1 1 19 19 LEU H H 19 8.720 8.720 8.478 0.242 18098 6437 1 12 . 1 1 20 20 ASP N N 20 115.650 115.650 119.346 -3.696 18098 6438 1 12 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.357 0.004 18098 6439 1 12 . 1 1 20 20 ASP C C 20 179.531 179.531 178.522 1.009 18098 6440 1 12 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.572 -0.485 18098 6441 1 12 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.731 -1.410 18098 6442 1 12 . 1 1 20 20 ASP H H 20 8.829 8.829 8.755 0.074 18098 6443 1 12 . 1 1 21 21 LYS N N 21 121.462 121.462 118.658 2.804 18098 6444 1 12 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.092 0.040 18098 6445 1 12 . 1 1 21 21 LYS C C 21 178.421 178.421 178.696 -0.275 18098 6446 1 12 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.956 -0.673 18098 6447 1 12 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.521 -0.541 18098 6448 1 12 . 1 1 21 21 LYS H H 21 7.352 7.352 7.436 -0.084 18098 6449 1 12 . 1 1 22 22 LYS N N 22 123.296 123.296 119.747 3.549 18098 6450 1 12 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.044 -0.054 18098 6451 1 12 . 1 1 22 22 LYS C C 22 178.179 178.179 178.769 -0.590 18098 6452 1 12 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.579 0.275 18098 6453 1 12 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.461 0.327 18098 6454 1 12 . 1 1 22 22 LYS H H 22 8.407 8.407 8.091 0.316 18098 6455 1 12 . 1 1 23 23 ARG N N 23 116.950 116.950 118.128 -1.178 18098 6456 1 12 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.946 -0.212 18098 6457 1 12 . 1 1 23 23 ARG C C 23 177.460 177.460 178.274 -0.814 18098 6458 1 12 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.789 0.716 18098 6459 1 12 . 1 1 23 23 ARG CB C 23 30.267 30.267 29.997 0.270 18098 6460 1 12 . 1 1 23 23 ARG H H 23 8.594 8.594 8.150 0.444 18098 6461 1 12 . 1 1 24 24 ALA N N 24 118.391 118.391 120.923 -2.532 18098 6462 1 12 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.112 -0.068 18098 6463 1 12 . 1 1 24 24 ALA C C 24 180.514 180.514 179.679 0.835 18098 6464 1 12 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.925 0.144 18098 6465 1 12 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.206 -0.272 18098 6466 1 12 . 1 1 24 24 ALA H H 24 7.505 7.505 7.712 -0.207 18098 6467 1 12 . 1 1 25 25 ARG N N 25 120.413 120.413 119.289 1.124 18098 6468 1 12 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.139 0.068 18098 6469 1 12 . 1 1 25 25 ARG C C 25 178.058 178.058 178.797 -0.739 18098 6470 1 12 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.252 0.141 18098 6471 1 12 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.330 -0.718 18098 6472 1 12 . 1 1 25 25 ARG H H 25 8.291 8.291 7.856 0.435 18098 6473 1 12 . 1 1 26 26 LEU N N 26 119.205 119.205 119.797 -0.592 18098 6474 1 12 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.171 -0.026 18098 6475 1 12 . 1 1 26 26 LEU C C 26 180.642 180.642 179.361 1.281 18098 6476 1 12 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.941 -0.166 18098 6477 1 12 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.249 -0.549 18098 6478 1 12 . 1 1 26 26 LEU H H 26 8.305 8.305 8.124 0.181 18098 6479 1 12 . 1 1 27 27 ILE N N 27 123.643 123.643 118.908 4.735 18098 6480 1 12 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.842 -0.241 18098 6481 1 12 . 1 1 27 27 ILE C C 27 177.716 177.716 178.785 -1.069 18098 6482 1 12 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.307 0.845 18098 6483 1 12 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.861 -0.020 18098 6484 1 12 . 1 1 27 27 ILE H H 27 8.488 8.488 8.213 0.275 18098 6485 1 12 . 1 1 28 28 TYR N N 28 121.443 121.443 120.634 0.809 18098 6486 1 12 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.137 0.078 18098 6487 1 12 . 1 1 28 28 TYR C C 28 178.656 178.656 177.322 1.334 18098 6488 1 12 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.682 -0.239 18098 6489 1 12 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.651 -0.817 18098 6490 1 12 . 1 1 28 28 TYR H H 28 7.832 7.832 7.704 0.128 18098 6491 1 12 . 1 1 29 29 GLN N N 29 115.999 115.999 117.687 -1.688 18098 6492 1 12 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.766 0.095 18098 6493 1 12 . 1 1 29 29 GLN C C 29 178.537 178.537 178.147 0.390 18098 6494 1 12 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.048 0.149 18098 6495 1 12 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.742 0.545 18098 6496 1 12 . 1 1 29 29 GLN H H 29 8.965 8.965 8.329 0.636 18098 6497 1 12 . 1 1 30 30 SER N N 30 115.599 115.599 114.839 0.760 18098 6498 1 12 . 1 1 30 30 SER HA H 30 4.100 4.100 4.206 -0.106 18098 6499 1 12 . 1 1 30 30 SER C C 30 171.004 171.004 176.297 -5.293 18098 6500 1 12 . 1 1 30 30 SER CA C 30 61.818 61.818 61.004 0.814 18098 6501 1 12 . 1 1 30 30 SER CB C 30 63.196 63.196 63.421 -0.225 18098 6502 1 12 . 1 1 30 30 SER H H 30 7.643 7.643 8.279 -0.636 18098 6503 1 12 . 1 1 31 31 ARG N N 31 114.000 114.000 122.018 -8.018 18098 6504 1 12 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.226 0.400 18098 6505 1 12 . 1 1 31 31 ARG C C 31 176.556 176.556 176.011 0.545 18098 6506 1 12 . 1 1 31 31 ARG CA C 31 55.010 55.010 57.175 -2.165 18098 6507 1 12 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.629 0.030 18098 6508 1 12 . 1 1 31 31 ARG H H 31 6.987 6.987 7.412 -0.425 18098 6509 1 12 . 1 1 32 32 LYS N N 32 120.507 120.507 121.269 -0.762 18098 6510 1 12 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.122 0.383 18098 6511 1 12 . 1 1 32 32 LYS C C 32 176.577 176.577 175.398 1.179 18098 6512 1 12 . 1 1 32 32 LYS CA C 32 54.191 54.191 57.009 -2.818 18098 6513 1 12 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.027 -0.957 18098 6514 1 12 . 1 1 32 32 LYS H H 32 7.245 7.245 7.526 -0.281 18098 6515 1 12 . 1 1 33 33 ARG N N 33 119.630 119.630 123.166 -3.536 18098 6516 1 12 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.393 0.083 18098 6517 1 12 . 1 1 33 33 ARG C C 33 177.289 177.289 175.955 1.334 18098 6518 1 12 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.302 -2.913 18098 6519 1 12 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.289 -4.946 18098 6520 1 12 . 1 1 33 33 ARG H H 33 8.831 8.831 8.024 0.807 18098 6521 1 12 . 1 1 34 34 GLY N N 34 107.776 107.776 109.811 -2.035 18098 6522 1 12 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.161 0.752 18098 6523 1 12 . 1 1 34 34 GLY H H 34 8.652 8.652 8.481 0.171 18098 6524 1 12 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.039 0.307 18098 6525 1 12 . 1 1 35 35 ILE C C 35 175.624 175.624 176.622 -0.998 18098 6526 1 12 . 1 1 35 35 ILE CA C 35 58.004 58.004 60.341 -2.337 18098 6527 1 12 . 1 1 35 35 ILE CB C 35 38.883 38.883 38.931 -0.048 18098 6528 1 12 . 1 1 35 35 ILE H H 35 6.841 6.841 7.388 -0.547 18098 6529 1 12 . 1 1 36 36 LEU N N 36 128.200 128.200 123.381 4.819 18098 6530 1 12 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.068 -0.128 18098 6531 1 12 . 1 1 36 36 LEU C C 36 177.994 177.994 178.660 -0.666 18098 6532 1 12 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.325 0.694 18098 6533 1 12 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.064 1.819 18098 6534 1 12 . 1 1 36 36 LEU H H 36 8.518 8.518 8.464 0.054 18098 6535 1 12 . 1 1 37 37 GLU N N 37 118.515 118.515 118.517 -0.002 18098 6536 1 12 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.982 -0.442 18098 6537 1 12 . 1 1 37 37 GLU C C 37 179.332 179.332 178.810 0.522 18098 6538 1 12 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.764 1.743 18098 6539 1 12 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.639 -0.904 18098 6540 1 12 . 1 1 37 37 GLU H H 37 9.964 9.964 8.235 1.729 18098 6541 1 12 . 1 1 38 38 THR N N 38 111.283 111.283 113.398 -2.115 18098 6542 1 12 . 1 1 38 38 THR HA H 38 3.867 3.867 4.071 -0.204 18098 6543 1 12 . 1 1 38 38 THR C C 38 175.061 175.061 175.897 -0.836 18098 6544 1 12 . 1 1 38 38 THR CA C 38 65.735 65.735 65.968 -0.232 18098 6545 1 12 . 1 1 38 38 THR CB C 38 67.623 67.623 68.120 -0.496 18098 6546 1 12 . 1 1 38 38 THR H H 38 6.425 6.425 7.800 -1.375 18098 6547 1 12 . 1 1 39 39 ASP N N 39 124.325 124.325 123.565 0.760 18098 6548 1 12 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.305 0.208 18098 6549 1 12 . 1 1 39 39 ASP C C 39 179.225 179.225 178.481 0.744 18098 6550 1 12 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.767 -0.669 18098 6551 1 12 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.845 1.038 18098 6552 1 12 . 1 1 39 39 ASP H H 39 7.997 7.997 7.635 0.362 18098 6553 1 12 . 1 1 40 40 LEU N N 40 118.757 118.757 119.353 -0.596 18098 6554 1 12 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.086 -0.075 18098 6555 1 12 . 1 1 40 40 LEU C C 40 180.528 180.528 179.520 1.008 18098 6556 1 12 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.234 0.857 18098 6557 1 12 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.874 -0.076 18098 6558 1 12 . 1 1 40 40 LEU H H 40 8.623 8.623 7.747 0.876 18098 6559 1 12 . 1 1 41 41 LEU N N 41 119.923 119.923 121.074 -1.151 18098 6560 1 12 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.266 0.127 18098 6561 1 12 . 1 1 41 41 LEU C C 41 177.631 177.631 178.616 -0.985 18098 6562 1 12 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.383 -0.026 18098 6563 1 12 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.872 1.467 18098 6564 1 12 . 1 1 41 41 LEU H H 41 7.382 7.382 7.504 -0.122 18098 6565 1 12 . 1 1 42 42 LEU N N 42 115.623 115.623 117.207 -1.584 18098 6566 1 12 . 1 1 42 42 LEU HA H 42 4.273 4.273 3.995 0.278 18098 6567 1 12 . 1 1 42 42 LEU C C 42 179.489 179.489 179.263 0.226 18098 6568 1 12 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.632 -0.063 18098 6569 1 12 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.349 -0.865 18098 6570 1 12 . 1 1 42 42 LEU H H 42 8.963 8.963 8.191 0.772 18098 6571 1 12 . 1 1 43 43 SER N N 43 115.349 115.349 115.689 -0.340 18098 6572 1 12 . 1 1 43 43 SER HA H 43 4.039 4.039 4.238 -0.199 18098 6573 1 12 . 1 1 43 43 SER C C 43 178.200 178.200 177.065 1.135 18098 6574 1 12 . 1 1 43 43 SER CA C 43 62.665 62.665 61.701 0.964 18098 6575 1 12 . 1 1 43 43 SER CB C 43 62.476 62.476 62.959 -0.482 18098 6576 1 12 . 1 1 43 43 SER H H 43 8.535 8.535 8.376 0.159 18098 6577 1 12 . 1 1 44 44 GLY N N 44 110.034 110.034 109.015 1.019 18098 6578 1 12 . 1 1 44 44 GLY C C 44 175.624 175.624 175.881 -0.257 18098 6579 1 12 . 1 1 44 44 GLY CA C 44 47.144 47.144 47.009 0.135 18098 6580 1 12 . 1 1 44 44 GLY H H 44 7.812 7.812 8.099 -0.287 18098 6581 1 12 . 1 1 45 45 PHE N N 45 125.487 125.487 122.364 3.123 18098 6582 1 12 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.089 -0.151 18098 6583 1 12 . 1 1 45 45 PHE C C 45 177.482 177.482 176.307 1.175 18098 6584 1 12 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.380 0.864 18098 6585 1 12 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.433 1.486 18098 6586 1 12 . 1 1 45 45 PHE H H 45 8.542 8.542 7.755 0.787 18098 6587 1 12 . 1 1 46 46 ALA N N 46 121.034 121.034 121.650 -0.616 18098 6588 1 12 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.648 0.084 18098 6589 1 12 . 1 1 46 46 ALA C C 46 179.916 179.916 178.995 0.921 18098 6590 1 12 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.807 -0.099 18098 6591 1 12 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.127 -0.030 18098 6592 1 12 . 1 1 46 46 ALA H H 46 9.262 9.262 7.947 1.315 18098 6593 1 12 . 1 1 47 47 ALA N N 47 117.642 117.642 120.093 -2.451 18098 6594 1 12 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.064 -0.093 18098 6595 1 12 . 1 1 47 47 ALA C C 47 178.250 178.250 178.811 -0.561 18098 6596 1 12 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.461 -0.077 18098 6597 1 12 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.503 -0.302 18098 6598 1 12 . 1 1 47 47 ALA H H 47 7.481 7.481 7.832 -0.351 18098 6599 1 12 . 1 1 48 48 LYS N N 48 115.388 115.388 117.736 -2.348 18098 6600 1 12 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.142 -0.042 18098 6601 1 12 . 1 1 48 48 LYS C C 48 177.845 177.845 178.368 -0.523 18098 6602 1 12 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.595 -0.835 18098 6603 1 12 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.452 0.334 18098 6604 1 12 . 1 1 48 48 LYS H H 48 7.056 7.056 7.534 -0.478 18098 6605 1 12 . 1 1 49 49 TYR N N 49 112.714 112.714 117.873 -5.159 18098 6606 1 12 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.067 0.229 18098 6607 1 12 . 1 1 49 49 TYR C C 49 178.272 178.272 178.492 -0.220 18098 6608 1 12 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.307 -1.184 18098 6609 1 12 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.054 2.206 18098 6610 1 12 . 1 1 49 49 TYR H H 49 7.941 7.941 8.029 -0.088 18098 6611 1 12 . 1 1 50 50 LEU N N 50 120.890 120.890 119.556 1.334 18098 6612 1 12 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.777 0.198 18098 6613 1 12 . 1 1 50 50 LEU C C 50 180.108 180.108 178.000 2.108 18098 6614 1 12 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.518 2.191 18098 6615 1 12 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.093 -0.256 18098 6616 1 12 . 1 1 50 50 LEU H H 50 7.945 7.945 7.710 0.235 18098 6617 1 12 . 1 1 51 51 LYS N N 51 115.335 115.335 118.899 -3.564 18098 6618 1 12 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.966 -0.108 18098 6619 1 12 . 1 1 51 51 LYS C C 51 176.051 176.051 177.851 -1.800 18098 6620 1 12 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.805 0.000 18098 6621 1 12 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.274 -0.767 18098 6622 1 12 . 1 1 51 51 LYS H H 51 8.463 8.463 7.991 0.472 18098 6623 1 12 . 1 1 52 52 LYS N N 52 115.175 115.175 114.717 0.458 18098 6624 1 12 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.356 0.054 18098 6625 1 12 . 1 1 52 52 LYS C C 52 176.777 176.777 176.287 0.490 18098 6626 1 12 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.627 -0.542 18098 6627 1 12 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.571 -0.455 18098 6628 1 12 . 1 1 52 52 LYS H H 52 7.232 7.232 7.561 -0.329 18098 6629 1 12 . 1 1 53 53 MET N N 53 120.127 120.127 122.089 -1.962 18098 6630 1 12 . 1 1 53 53 MET HA H 53 4.485 4.485 4.305 0.180 18098 6631 1 12 . 1 1 53 53 MET C C 53 176.179 176.179 175.091 1.088 18098 6632 1 12 . 1 1 53 53 MET CA C 53 57.091 57.091 56.100 0.991 18098 6633 1 12 . 1 1 53 53 MET CB C 53 34.125 34.125 33.917 0.208 18098 6634 1 12 . 1 1 53 53 MET H H 53 7.175 7.175 7.553 -0.378 18098 6635 1 12 . 1 1 54 54 ASN N N 54 120.819 120.819 126.104 -5.285 18098 6636 1 12 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.596 0.169 18098 6637 1 12 . 1 1 54 54 ASN C C 54 175.154 175.154 175.816 -0.662 18098 6638 1 12 . 1 1 54 54 ASN CA C 54 50.941 50.941 54.404 -3.463 18098 6639 1 12 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.252 -0.717 18098 6640 1 12 . 1 1 54 54 ASN H H 54 9.045 9.045 8.707 0.338 18098 6641 1 12 . 1 1 55 55 GLU N N 55 116.971 116.971 121.206 -4.235 18098 6642 1 12 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.921 -0.097 18098 6643 1 12 . 1 1 55 55 GLU C C 55 178.122 178.122 178.191 -0.069 18098 6644 1 12 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.490 0.762 18098 6645 1 12 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.268 0.401 18098 6646 1 12 . 1 1 55 55 GLU H H 55 8.891 8.891 8.966 -0.075 18098 6647 1 12 . 1 1 56 56 GLU N N 56 119.652 119.652 117.683 1.969 18098 6648 1 12 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.316 -0.179 18098 6649 1 12 . 1 1 56 56 GLU C C 56 179.937 179.937 179.360 0.577 18098 6650 1 12 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.360 0.456 18098 6651 1 12 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.023 0.060 18098 6652 1 12 . 1 1 56 56 GLU H H 56 8.366 8.366 8.771 -0.405 18098 6653 1 12 . 1 1 57 57 GLU N N 57 122.119 122.119 119.949 2.170 18098 6654 1 12 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.206 0.059 18098 6655 1 12 . 1 1 57 57 GLU C C 57 179.332 179.332 179.378 -0.046 18098 6656 1 12 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.760 0.399 18098 6657 1 12 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.393 -0.093 18098 6658 1 12 . 1 1 57 57 GLU H H 57 8.491 8.491 7.757 0.734 18098 6659 1 12 . 1 1 58 58 LEU N N 58 119.424 119.424 119.024 0.400 18098 6660 1 12 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.171 -0.035 18098 6661 1 12 . 1 1 58 58 LEU C C 58 179.218 179.218 179.318 -0.100 18098 6662 1 12 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.024 -0.339 18098 6663 1 12 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.875 -0.025 18098 6664 1 12 . 1 1 58 58 LEU H H 58 8.693 8.693 8.225 0.468 18098 6665 1 12 . 1 1 59 59 GLU N N 59 118.813 118.813 117.936 0.877 18098 6666 1 12 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.094 0.206 18098 6667 1 12 . 1 1 59 59 GLU C C 59 179.361 179.361 179.067 0.294 18098 6668 1 12 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.123 -0.084 18098 6669 1 12 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.181 -0.076 18098 6670 1 12 . 1 1 59 59 GLU H H 59 8.009 8.009 7.873 0.136 18098 6671 1 12 . 1 1 60 60 GLU N N 60 121.472 121.472 120.997 0.475 18098 6672 1 12 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.168 0.088 18098 6673 1 12 . 1 1 60 60 GLU C C 60 178.451 178.451 178.503 -0.052 18098 6674 1 12 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.920 0.729 18098 6675 1 12 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.929 -0.165 18098 6676 1 12 . 1 1 60 60 GLU H H 60 7.867 7.867 7.587 0.280 18098 6677 1 12 . 1 1 61 61 TYR N N 61 121.955 121.955 120.219 1.736 18098 6678 1 12 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.236 -0.102 18098 6679 1 12 . 1 1 61 61 TYR C C 61 176.278 176.278 177.614 -1.336 18098 6680 1 12 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.968 1.203 18098 6681 1 12 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.613 -0.423 18098 6682 1 12 . 1 1 61 61 TYR H H 61 8.675 8.675 8.212 0.463 18098 6683 1 12 . 1 1 62 62 ASP N N 62 118.314 118.314 117.939 0.375 18098 6684 1 12 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.224 0.039 18098 6685 1 12 . 1 1 62 62 ASP C C 62 178.464 178.464 178.706 -0.242 18098 6686 1 12 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.290 -0.545 18098 6687 1 12 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.744 0.801 18098 6688 1 12 . 1 1 62 62 ASP H H 62 8.481 8.481 8.110 0.371 18098 6689 1 12 . 1 1 63 63 SER N N 63 111.380 111.380 114.593 -3.213 18098 6690 1 12 . 1 1 63 63 SER HA H 63 4.361 4.361 4.269 0.092 18098 6691 1 12 . 1 1 63 63 SER C C 63 178.763 178.763 176.833 1.930 18098 6692 1 12 . 1 1 63 63 SER CA C 63 61.824 61.824 61.601 0.223 18098 6693 1 12 . 1 1 63 63 SER CB C 63 62.830 62.830 63.225 -0.395 18098 6694 1 12 . 1 1 63 63 SER H H 63 7.779 7.779 7.740 0.039 18098 6695 1 12 . 1 1 64 64 LEU N N 64 127.444 127.444 122.574 4.870 18098 6696 1 12 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.366 -0.310 18098 6697 1 12 . 1 1 64 64 LEU C C 64 177.688 177.688 177.895 -0.207 18098 6698 1 12 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.444 0.606 18098 6699 1 12 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.951 -1.776 18098 6700 1 12 . 1 1 64 64 LEU H H 64 8.616 8.616 7.493 1.123 18098 6701 1 12 . 1 1 65 65 LEU N N 65 114.503 114.503 116.541 -2.038 18098 6702 1 12 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.972 -0.204 18098 6703 1 12 . 1 1 65 65 LEU C C 65 178.506 178.506 177.613 0.893 18098 6704 1 12 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.487 -0.122 18098 6705 1 12 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.786 -0.323 18098 6706 1 12 . 1 1 65 65 LEU H H 65 7.700 7.700 7.226 0.474 18098 6707 1 12 . 1 1 66 66 ASN N N 66 116.208 116.208 116.326 -0.118 18098 6708 1 12 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.757 -0.018 18098 6709 1 12 . 1 1 66 66 ASN C C 66 176.008 176.008 175.164 0.844 18098 6710 1 12 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.481 0.405 18098 6711 1 12 . 1 1 66 66 ASN CB C 66 39.259 39.259 39.208 0.051 18098 6712 1 12 . 1 1 66 66 ASN H H 66 7.533 7.533 7.736 -0.203 18098 6713 1 12 . 1 1 67 67 GLU N N 67 120.300 120.300 120.050 0.250 18098 6714 1 12 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.648 -0.159 18098 6715 1 12 . 1 1 67 67 GLU C C 67 175.410 175.410 174.759 0.651 18098 6716 1 12 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.230 -0.264 18098 6717 1 12 . 1 1 67 67 GLU CB C 67 28.420 28.420 31.405 -2.985 18098 6718 1 12 . 1 1 67 67 GLU H H 67 7.948 7.948 7.583 0.365 18098 6719 1 12 . 1 1 68 68 LEU N N 68 120.037 120.037 121.465 -1.428 18098 6720 1 12 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.321 -0.191 18098 6721 1 12 . 1 1 68 68 LEU C C 68 178.720 178.720 178.029 0.691 18098 6722 1 12 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.680 0.026 18098 6723 1 12 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.411 -0.903 18098 6724 1 12 . 1 1 68 68 LEU H H 68 9.451 9.451 8.705 0.746 18098 6725 1 12 . 1 1 69 69 ASP N N 69 120.774 120.774 124.570 -3.796 18098 6726 1 12 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.098 0.079 18098 6727 1 12 . 1 1 69 69 ASP C C 69 179.446 179.446 177.881 1.565 18098 6728 1 12 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.338 1.299 18098 6729 1 12 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.998 0.855 18098 6730 1 12 . 1 1 69 69 ASP H H 69 8.445 8.445 8.694 -0.249 18098 6731 1 12 . 1 1 70 70 TRP N N 70 117.865 117.865 120.193 -2.328 18098 6732 1 12 . 1 1 70 70 TRP HA H 70 4.118 4.118 3.982 0.136 18098 6733 1 12 . 1 1 70 70 TRP C C 70 176.983 176.983 178.138 -1.155 18098 6734 1 12 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.633 0.471 18098 6735 1 12 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.109 -0.718 18098 6736 1 12 . 1 1 70 70 TRP H H 70 8.809 8.809 7.921 0.888 18098 6737 1 12 . 1 1 71 71 ASP N N 71 116.993 116.993 119.082 -2.089 18098 6738 1 12 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.972 -0.110 18098 6739 1 12 . 1 1 71 71 ASP C C 71 175.218 175.218 177.876 -2.658 18098 6740 1 12 . 1 1 71 71 ASP CA C 71 57.453 57.453 56.206 1.246 18098 6741 1 12 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.570 -0.847 18098 6742 1 12 . 1 1 71 71 ASP H H 71 6.134 6.134 7.394 -1.260 18098 6743 1 12 . 1 1 72 72 ILE N N 72 115.361 115.361 119.920 -4.559 18098 6744 1 12 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.404 -0.532 18098 6745 1 12 . 1 1 72 72 ILE C C 72 177.097 177.097 177.684 -0.587 18098 6746 1 12 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.949 1.170 18098 6747 1 12 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.650 0.629 18098 6748 1 12 . 1 1 72 72 ILE H H 72 7.302 7.302 7.564 -0.262 18098 6749 1 12 . 1 1 73 73 TYR N N 73 116.121 116.121 120.762 -4.641 18098 6750 1 12 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.895 -0.154 18098 6751 1 12 . 1 1 73 73 TYR C C 73 178.827 178.827 176.879 1.948 18098 6752 1 12 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.207 -0.057 18098 6753 1 12 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.363 -0.191 18098 6754 1 12 . 1 1 73 73 TYR H H 73 7.327 7.327 7.798 -0.471 18098 6755 1 12 . 1 1 74 74 TYR N N 74 121.029 121.029 116.394 4.635 18098 6756 1 12 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.322 -0.046 18098 6757 1 12 . 1 1 74 74 TYR C C 74 178.165 178.165 177.651 0.514 18098 6758 1 12 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.335 0.942 18098 6759 1 12 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.373 -1.589 18098 6760 1 12 . 1 1 74 74 TYR H H 74 8.922 8.922 7.654 1.268 18098 6761 1 12 . 1 1 75 75 TRP N N 75 121.118 121.118 118.895 2.223 18098 6762 1 12 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.131 0.624 18098 6763 1 12 . 1 1 75 75 TRP C C 75 180.599 180.599 177.348 3.251 18098 6764 1 12 . 1 1 75 75 TRP CA C 75 57.770 57.770 57.711 0.059 18098 6765 1 12 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.225 0.186 18098 6766 1 12 . 1 1 75 75 TRP H H 75 9.201 9.201 7.396 1.805 18098 6767 1 12 . 1 1 76 76 ALA N N 76 122.129 122.129 121.299 0.830 18098 6768 1 12 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.255 -0.299 18098 6769 1 12 . 1 1 76 76 ALA C C 76 177.546 177.546 177.977 -0.431 18098 6770 1 12 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.503 1.697 18098 6771 1 12 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.337 -0.112 18098 6772 1 12 . 1 1 76 76 ALA H H 76 8.761 8.761 7.530 1.231 18098 6773 1 12 . 1 1 77 77 THR N N 77 102.584 102.584 111.223 -8.639 18098 6774 1 12 . 1 1 77 77 THR HA H 77 4.192 4.192 4.209 -0.017 18098 6775 1 12 . 1 1 77 77 THR C C 77 173.425 173.425 175.420 -1.995 18098 6776 1 12 . 1 1 77 77 THR CA C 77 60.767 60.767 60.495 0.272 18098 6777 1 12 . 1 1 77 77 THR CB C 77 69.573 69.573 69.786 -0.213 18098 6778 1 12 . 1 1 77 77 THR H H 77 7.411 7.411 7.677 -0.266 18098 6779 1 12 . 1 1 78 78 LYS N N 78 116.069 116.069 122.319 -6.250 18098 6780 1 12 . 1 1 78 78 LYS HA H 78 2.830 2.830 4.437 -1.607 18098 6781 1 12 . 1 1 78 78 LYS C C 78 174.514 174.514 175.832 -1.318 18098 6782 1 12 . 1 1 78 78 LYS CA C 78 57.242 57.242 55.601 1.641 18098 6783 1 12 . 1 1 78 78 LYS CB C 78 28.333 28.333 31.143 -2.810 18098 6784 1 12 . 1 1 78 78 LYS H H 78 7.420 7.420 8.612 -1.192 18098 6785 1 12 . 1 1 79 79 ASN N N 79 120.318 120.318 118.591 1.727 18098 6786 1 12 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.859 -0.062 18098 6787 1 12 . 1 1 79 79 ASN C C 79 175.581 175.581 175.145 0.436 18098 6788 1 12 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.458 -1.863 18098 6789 1 12 . 1 1 79 79 ASN CB C 79 36.999 36.999 38.584 -1.585 18098 6790 1 12 . 1 1 79 79 ASN H H 79 8.828 8.828 7.547 1.281 18098 6791 1 12 . 1 1 80 80 PHE N N 80 120.545 120.545 119.713 0.832 18098 6792 1 12 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.573 0.296 18098 6793 1 12 . 1 1 80 80 PHE C C 80 177.311 177.311 177.290 0.021 18098 6794 1 12 . 1 1 80 80 PHE CA C 80 56.745 56.745 60.389 -3.643 18098 6795 1 12 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.667 -0.456 18098 6796 1 12 . 1 1 80 80 PHE H H 80 7.581 7.581 7.717 -0.136 18098 6797 1 12 . 1 1 81 81 LYS N N 81 118.568 118.568 117.856 0.712 18098 6798 1 12 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.048 0.013 18098 6799 1 12 . 1 1 81 81 LYS C C 81 177.845 177.845 177.544 0.301 18098 6800 1 12 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.880 -0.372 18098 6801 1 12 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.871 0.220 18098 6802 1 12 . 1 1 81 81 LYS H H 81 7.999 7.999 8.213 -0.214 18098 6803 1 12 . 1 1 82 82 THR N N 82 111.828 111.828 114.632 -2.804 18098 6804 1 12 . 1 1 82 82 THR HA H 82 4.098 4.098 4.193 -0.095 18098 6805 1 12 . 1 1 82 82 THR C C 82 174.556 174.556 175.326 -0.770 18098 6806 1 12 . 1 1 82 82 THR CA C 82 63.796 63.796 63.941 -0.145 18098 6807 1 12 . 1 1 82 82 THR CB C 82 68.509 68.509 69.359 -0.850 18098 6808 1 12 . 1 1 82 82 THR H H 82 7.419 7.419 7.396 0.023 18098 6809 1 12 . 1 1 83 83 SER N N 83 115.546 115.546 119.029 -3.483 18098 6810 1 12 . 1 1 83 83 SER HA H 83 5.000 5.000 5.067 -0.067 18098 6811 1 12 . 1 1 83 83 SER C C 83 170.371 170.371 172.765 -2.394 18098 6812 1 12 . 1 1 83 83 SER CA C 83 54.673 54.673 56.590 -1.917 18098 6813 1 12 . 1 1 83 83 SER CB C 83 63.763 63.763 63.861 -0.098 18098 6814 1 12 . 1 1 83 83 SER H H 83 7.312 7.312 7.613 -0.301 18098 6815 1 12 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.751 -0.196 18098 6816 1 12 . 1 1 84 84 PRO C C 84 176.855 176.855 176.949 -0.094 18098 6817 1 12 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.716 -0.176 18098 6818 1 12 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.499 -0.416 18098 6819 1 12 . 1 1 85 85 LEU N N 85 125.147 125.147 124.600 0.547 18098 6820 1 12 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.292 -0.479 18098 6821 1 12 . 1 1 85 85 LEU C C 85 175.168 175.168 175.289 -0.121 18098 6822 1 12 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.414 -0.077 18098 6823 1 12 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.396 0.964 18098 6824 1 12 . 1 1 85 85 LEU H H 85 8.171 8.171 8.491 -0.320 18098 6825 1 12 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.644 -0.136 18098 6826 1 12 . 1 1 86 86 PRO C C 86 177.111 177.111 176.626 0.485 18098 6827 1 12 . 1 1 86 86 PRO CA C 86 62.261 62.261 61.989 0.272 18098 6828 1 12 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.887 -0.112 18098 6829 1 12 . 1 1 87 87 ASP N N 87 123.224 123.224 120.344 2.880 18098 6830 1 12 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.186 -0.031 18098 6831 1 12 . 1 1 87 87 ASP C C 87 178.392 178.392 177.972 0.420 18098 6832 1 12 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.803 -0.304 18098 6833 1 12 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.639 -0.519 18098 6834 1 12 . 1 1 87 87 ASP H H 87 8.649 8.649 8.583 0.066 18098 6835 1 12 . 1 1 88 88 LYS N N 88 115.960 115.960 117.683 -1.723 18098 6836 1 12 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.822 0.009 18098 6837 1 12 . 1 1 88 88 LYS C C 88 176.585 176.585 177.488 -0.903 18098 6838 1 12 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.166 0.093 18098 6839 1 12 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.498 0.236 18098 6840 1 12 . 1 1 88 88 LYS H H 88 8.344 8.344 8.313 0.031 18098 6841 1 12 . 1 1 89 89 TRP N N 89 116.821 116.821 118.251 -1.430 18098 6842 1 12 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.820 -0.006 18098 6843 1 12 . 1 1 89 89 TRP C C 89 176.329 176.329 178.490 -2.161 18098 6844 1 12 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.338 -0.191 18098 6845 1 12 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.264 1.238 18098 6846 1 12 . 1 1 89 89 TRP H H 89 7.145 7.145 7.330 -0.185 18098 6847 1 12 . 1 1 90 90 ALA N N 90 122.680 122.680 124.459 -1.779 18098 6848 1 12 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.040 -0.174 18098 6849 1 12 . 1 1 90 90 ALA C C 90 177.965 177.965 177.710 0.255 18098 6850 1 12 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.624 0.087 18098 6851 1 12 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.512 -0.133 18098 6852 1 12 . 1 1 90 90 ALA H H 90 7.456 7.456 7.516 -0.060 18098 6853 1 12 . 1 1 91 91 ASN N N 91 114.054 114.054 113.588 0.466 18098 6854 1 12 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.936 -0.121 18098 6855 1 12 . 1 1 91 91 ASN C C 91 174.727 174.727 174.602 0.125 18098 6856 1 12 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.624 -0.235 18098 6857 1 12 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.553 -0.846 18098 6858 1 12 . 1 1 91 91 ASN H H 91 8.318 8.318 8.119 0.199 18098 6859 1 12 . 1 1 92 92 SER N N 92 113.359 113.359 117.406 -4.047 18098 6860 1 12 . 1 1 92 92 SER HA H 92 4.649 4.649 4.569 0.080 18098 6861 1 12 . 1 1 92 92 SER C C 92 177.033 177.033 174.491 2.542 18098 6862 1 12 . 1 1 92 92 SER CA C 92 57.599 57.599 58.680 -1.081 18098 6863 1 12 . 1 1 92 92 SER CB C 92 64.454 64.454 64.517 -0.063 18098 6864 1 12 . 1 1 92 92 SER H H 92 7.255 7.255 7.433 -0.178 18098 6865 1 12 . 1 1 93 93 LYS N N 93 133.672 133.672 128.012 5.660 18098 6866 1 12 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.134 -0.004 18098 6867 1 12 . 1 1 93 93 LYS C C 93 178.763 178.763 178.205 0.558 18098 6868 1 12 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.233 -0.103 18098 6869 1 12 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.674 -0.591 18098 6870 1 12 . 1 1 93 93 LYS H H 93 9.608 9.608 8.938 0.670 18098 6871 1 12 . 1 1 94 94 LEU N N 94 122.086 122.086 120.474 1.612 18098 6872 1 12 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.188 0.163 18098 6873 1 12 . 1 1 94 94 LEU C C 94 178.663 178.663 178.495 0.168 18098 6874 1 12 . 1 1 94 94 LEU CA C 94 57.236 57.236 57.931 -0.695 18098 6875 1 12 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.777 -0.616 18098 6876 1 12 . 1 1 94 94 LEU H H 94 8.000 8.000 7.752 0.248 18098 6877 1 12 . 1 1 95 95 LEU N N 95 118.720 118.720 117.700 1.020 18098 6878 1 12 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.883 0.042 18098 6879 1 12 . 1 1 95 95 LEU C C 95 178.530 178.530 178.229 0.301 18098 6880 1 12 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.068 -0.687 18098 6881 1 12 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.571 -0.647 18098 6882 1 12 . 1 1 95 95 LEU H H 95 7.997 7.997 7.911 0.086 18098 6883 1 12 . 1 1 96 96 LYS N N 96 117.880 117.880 117.812 0.068 18098 6884 1 12 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.981 0.275 18098 6885 1 12 . 1 1 96 96 LYS C C 96 179.147 179.147 179.302 -0.155 18098 6886 1 12 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.776 -0.314 18098 6887 1 12 . 1 1 96 96 LYS CB C 96 31.920 31.920 31.974 -0.054 18098 6888 1 12 . 1 1 96 96 LYS H H 96 7.341 7.341 7.514 -0.173 18098 6889 1 12 . 1 1 97 97 GLN N N 97 119.660 119.660 118.222 1.438 18098 6890 1 12 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.298 -0.104 18098 6891 1 12 . 1 1 97 97 GLN C C 97 179.040 179.040 178.608 0.432 18098 6892 1 12 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.492 0.590 18098 6893 1 12 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.546 0.501 18098 6894 1 12 . 1 1 97 97 GLN H H 97 8.007 8.007 8.141 -0.134 18098 6895 1 12 . 1 1 98 98 LEU N N 98 122.983 122.983 121.007 1.976 18098 6896 1 12 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.735 0.116 18098 6897 1 12 . 1 1 98 98 LEU C C 98 178.841 178.841 178.712 0.129 18098 6898 1 12 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.093 0.988 18098 6899 1 12 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.344 0.552 18098 6900 1 12 . 1 1 98 98 LEU H H 98 8.425 8.425 7.823 0.602 18098 6901 1 12 . 1 1 99 99 GLN N N 99 119.099 119.099 118.500 0.599 18098 6902 1 12 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.188 0.452 18098 6903 1 12 . 1 1 99 99 GLN C C 99 179.660 179.660 178.551 1.109 18098 6904 1 12 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.081 -1.265 18098 6905 1 12 . 1 1 99 99 GLN CB C 99 27.417 27.417 29.031 -1.614 18098 6906 1 12 . 1 1 99 99 GLN H H 99 8.594 8.594 8.195 0.399 18098 6907 1 12 . 1 1 100 100 GLU N N 100 120.803 120.803 119.799 1.004 18098 6908 1 12 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.115 -0.004 18098 6909 1 12 . 1 1 100 100 GLU C C 100 178.870 178.870 178.754 0.116 18098 6910 1 12 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.916 0.533 18098 6911 1 12 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.280 0.100 18098 6912 1 12 . 1 1 100 100 GLU H H 100 8.353 8.353 8.040 0.313 18098 6913 1 12 . 1 1 101 101 PHE N N 101 120.752 120.752 122.447 -1.695 18098 6914 1 12 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.339 0.134 18098 6915 1 12 . 1 1 101 101 PHE C C 101 177.289 177.289 177.180 0.109 18098 6916 1 12 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.953 0.164 18098 6917 1 12 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.773 -0.070 18098 6918 1 12 . 1 1 101 101 PHE H H 101 8.544 8.544 8.199 0.345 18098 6919 1 12 . 1 1 102 102 SER N N 102 112.889 112.889 113.920 -1.031 18098 6920 1 12 . 1 1 102 102 SER HA H 102 3.821 3.821 4.059 -0.238 18098 6921 1 12 . 1 1 102 102 SER C C 102 176.414 176.414 176.151 0.263 18098 6922 1 12 . 1 1 102 102 SER CA C 102 61.123 61.123 61.158 -0.035 18098 6923 1 12 . 1 1 102 102 SER CB C 102 63.193 63.193 62.928 0.265 18098 6924 1 12 . 1 1 102 102 SER H H 102 8.314 8.314 8.014 0.300 18098 6925 1 12 . 1 1 103 103 GLU N N 103 118.066 118.066 120.761 -2.695 18098 6926 1 12 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.096 0.018 18098 6927 1 12 . 1 1 103 103 GLU C C 103 177.375 177.375 177.516 -0.141 18098 6928 1 12 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.561 -0.760 18098 6929 1 12 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.808 0.218 18098 6930 1 12 . 1 1 103 103 GLU H H 103 7.809 7.809 7.592 0.217 18098 6931 1 12 . 1 1 104 104 ASN N N 104 117.241 117.241 116.161 1.080 18098 6932 1 12 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.643 0.004 18098 6933 1 12 . 1 1 104 104 ASN C C 104 175.752 175.752 175.370 0.382 18098 6934 1 12 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.282 0.457 18098 6935 1 12 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.690 -0.068 18098 6936 1 12 . 1 1 104 104 ASN H H 104 7.917 7.917 7.986 -0.069 18098 6937 1 12 . 1 1 105 105 LYS N N 105 121.903 121.903 118.187 3.716 18098 6938 1 12 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.531 0.537 18098 6939 1 12 . 1 1 105 105 LYS C C 105 177.311 177.311 177.147 0.164 18098 6940 1 12 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.120 -0.746 18098 6941 1 12 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.966 0.071 18098 6942 1 12 . 1 1 105 105 LYS H H 105 8.093 8.093 7.632 0.461 18098 6943 1 12 . 1 1 106 106 GLU N N 106 119.595 119.595 118.589 1.006 18098 6944 1 12 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.352 -0.083 18098 6945 1 12 . 1 1 106 106 GLU C C 106 176.585 176.585 176.397 0.188 18098 6946 1 12 . 1 1 106 106 GLU CA C 106 56.691 56.691 57.611 -0.920 18098 6947 1 12 . 1 1 106 106 GLU CB C 106 29.700 29.700 31.436 -1.736 18098 6948 1 12 . 1 1 106 106 GLU H H 106 8.200 8.200 8.127 0.073 18098 6949 1 12 . 1 1 107 107 LYS N N 107 120.538 120.538 118.817 1.721 18098 6950 1 12 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.538 -0.271 18098 6951 1 12 . 1 1 107 107 LYS C C 107 176.435 176.435 175.315 1.120 18098 6952 1 12 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.520 -0.068 18098 6953 1 12 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.813 1.297 18098 6954 1 12 . 1 1 107 107 LYS H H 107 7.838 7.838 8.236 -0.398 18098 6955 1 12 . 1 1 108 108 GLU N N 108 122.869 122.869 120.074 2.795 18098 6956 1 12 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.724 -0.407 18098 6957 1 12 . 1 1 108 108 GLU C C 108 175.403 175.403 175.173 0.230 18098 6958 1 12 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.549 1.016 18098 6959 1 12 . 1 1 108 108 GLU CB C 108 30.057 30.057 31.452 -1.395 18098 6960 1 12 . 1 1 108 108 GLU H H 108 8.313 8.313 8.009 0.304 18098 6961 1 13 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.312 0.330 18098 6962 1 13 . 1 1 10 10 HIS C C 10 174.891 174.891 173.806 1.085 18098 6963 1 13 . 1 1 10 10 HIS CA C 10 56.030 56.030 56.209 -0.179 18098 6964 1 13 . 1 1 10 10 HIS CB C 10 30.113 30.113 29.400 0.713 18098 6965 1 13 . 1 1 11 11 MET N N 11 121.211 121.211 120.831 0.380 18098 6966 1 13 . 1 1 11 11 MET HA H 11 4.417 4.417 4.344 0.073 18098 6967 1 13 . 1 1 11 11 MET C C 11 175.709 175.709 176.851 -1.142 18098 6968 1 13 . 1 1 11 11 MET CA C 11 55.405 55.405 55.419 -0.014 18098 6969 1 13 . 1 1 11 11 MET CB C 11 32.776 32.776 33.694 -0.918 18098 6970 1 13 . 1 1 11 11 MET H H 11 8.179 8.179 7.999 0.180 18098 6971 1 13 . 1 1 12 12 ILE N N 12 122.511 122.511 126.092 -3.581 18098 6972 1 13 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.070 0.053 18098 6973 1 13 . 1 1 12 12 ILE C C 12 175.809 175.809 175.323 0.486 18098 6974 1 13 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.911 -1.109 18098 6975 1 13 . 1 1 12 12 ILE CB C 12 38.531 38.531 36.090 2.441 18098 6976 1 13 . 1 1 12 12 ILE H H 12 8.088 8.088 8.436 -0.348 18098 6977 1 13 . 1 1 13 13 LYS N N 13 126.072 126.072 127.604 -1.532 18098 6978 1 13 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.600 -0.272 18098 6979 1 13 . 1 1 13 13 LYS C C 13 176.108 176.108 176.777 -0.669 18098 6980 1 13 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.679 0.374 18098 6981 1 13 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.717 -0.802 18098 6982 1 13 . 1 1 13 13 LYS H H 13 8.381 8.381 8.115 0.266 18098 6983 1 13 . 1 1 14 14 ARG N N 14 123.714 123.714 123.942 -0.228 18098 6984 1 13 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.217 0.227 18098 6985 1 13 . 1 1 14 14 ARG C C 14 176.428 176.428 176.853 -0.425 18098 6986 1 13 . 1 1 14 14 ARG CA C 14 55.742 55.742 57.879 -2.137 18098 6987 1 13 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.545 0.236 18098 6988 1 13 . 1 1 14 14 ARG H H 14 8.484 8.484 8.898 -0.414 18098 6989 1 13 . 1 1 15 15 THR N N 15 115.338 115.338 110.245 5.093 18098 6990 1 13 . 1 1 15 15 THR HA H 15 4.367 4.367 4.496 -0.129 18098 6991 1 13 . 1 1 15 15 THR C C 15 174.172 174.172 174.393 -0.221 18098 6992 1 13 . 1 1 15 15 THR CA C 15 61.501 61.501 60.010 1.491 18098 6993 1 13 . 1 1 15 15 THR CB C 15 69.868 69.868 70.958 -1.090 18098 6994 1 13 . 1 1 15 15 THR H H 15 8.279 8.279 7.445 0.834 18098 6995 1 13 . 1 1 16 16 ASN N N 16 120.727 120.727 118.335 2.392 18098 6996 1 13 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.544 0.134 18098 6997 1 13 . 1 1 16 16 ASN C C 16 174.482 174.482 174.857 -0.375 18098 6998 1 13 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.350 -0.278 18098 6999 1 13 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.584 -0.203 18098 7000 1 13 . 1 1 16 16 ASN H H 16 8.612 8.612 8.551 0.061 18098 7001 1 13 . 1 1 17 17 GLU N N 17 123.790 123.790 122.007 1.783 18098 7002 1 13 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.467 0.134 18098 7003 1 13 . 1 1 17 17 GLU C C 17 173.823 173.823 175.085 -1.262 18098 7004 1 13 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.539 -0.574 18098 7005 1 13 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.093 1.670 18098 7006 1 13 . 1 1 17 17 GLU H H 17 8.113 8.113 7.629 0.484 18098 7007 1 13 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.535 -0.020 18098 7008 1 13 . 1 1 18 18 PRO C C 18 177.709 177.709 177.205 0.504 18098 7009 1 13 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.146 0.619 18098 7010 1 13 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.984 -0.503 18098 7011 1 13 . 1 1 19 19 LEU N N 19 123.760 123.760 122.251 1.509 18098 7012 1 13 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.015 -0.009 18098 7013 1 13 . 1 1 19 19 LEU C C 19 178.307 178.307 178.461 -0.154 18098 7014 1 13 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.975 0.488 18098 7015 1 13 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.478 0.320 18098 7016 1 13 . 1 1 19 19 LEU H H 19 8.720 8.720 8.684 0.036 18098 7017 1 13 . 1 1 20 20 ASP N N 20 115.650 115.650 118.810 -3.160 18098 7018 1 13 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.370 -0.009 18098 7019 1 13 . 1 1 20 20 ASP C C 20 179.531 179.531 178.892 0.639 18098 7020 1 13 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.949 -0.862 18098 7021 1 13 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.137 -0.816 18098 7022 1 13 . 1 1 20 20 ASP H H 20 8.829 8.829 8.845 -0.016 18098 7023 1 13 . 1 1 21 21 LYS N N 21 121.462 121.462 119.698 1.764 18098 7024 1 13 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.095 0.037 18098 7025 1 13 . 1 1 21 21 LYS C C 21 178.421 178.421 178.664 -0.243 18098 7026 1 13 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.962 -0.679 18098 7027 1 13 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.523 -0.543 18098 7028 1 13 . 1 1 21 21 LYS H H 21 7.352 7.352 7.480 -0.128 18098 7029 1 13 . 1 1 22 22 LYS N N 22 123.296 123.296 120.037 3.259 18098 7030 1 13 . 1 1 22 22 LYS HA H 22 3.990 3.990 3.996 -0.006 18098 7031 1 13 . 1 1 22 22 LYS C C 22 178.179 178.179 178.454 -0.275 18098 7032 1 13 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.653 0.201 18098 7033 1 13 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.462 0.325 18098 7034 1 13 . 1 1 22 22 LYS H H 22 8.407 8.407 7.785 0.622 18098 7035 1 13 . 1 1 23 23 ARG N N 23 116.950 116.950 119.431 -2.481 18098 7036 1 13 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.994 -0.260 18098 7037 1 13 . 1 1 23 23 ARG C C 23 177.460 177.460 178.351 -0.891 18098 7038 1 13 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.415 1.090 18098 7039 1 13 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.162 0.105 18098 7040 1 13 . 1 1 23 23 ARG H H 23 8.594 8.594 8.123 0.471 18098 7041 1 13 . 1 1 24 24 ALA N N 24 118.391 118.391 120.764 -2.373 18098 7042 1 13 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.085 -0.041 18098 7043 1 13 . 1 1 24 24 ALA C C 24 180.514 180.514 179.684 0.830 18098 7044 1 13 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.020 0.049 18098 7045 1 13 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.078 -0.144 18098 7046 1 13 . 1 1 24 24 ALA H H 24 7.505 7.505 8.131 -0.626 18098 7047 1 13 . 1 1 25 25 ARG N N 25 120.413 120.413 119.473 0.940 18098 7048 1 13 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.120 0.087 18098 7049 1 13 . 1 1 25 25 ARG C C 25 178.058 178.058 178.758 -0.700 18098 7050 1 13 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.342 0.051 18098 7051 1 13 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.297 -0.685 18098 7052 1 13 . 1 1 25 25 ARG H H 25 8.291 8.291 7.848 0.443 18098 7053 1 13 . 1 1 26 26 LEU N N 26 119.205 119.205 119.416 -0.211 18098 7054 1 13 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.194 -0.049 18098 7055 1 13 . 1 1 26 26 LEU C C 26 180.642 180.642 179.423 1.219 18098 7056 1 13 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.864 -0.089 18098 7057 1 13 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.276 -0.576 18098 7058 1 13 . 1 1 26 26 LEU H H 26 8.305 8.305 8.055 0.250 18098 7059 1 13 . 1 1 27 27 ILE N N 27 123.643 123.643 119.157 4.486 18098 7060 1 13 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.808 -0.207 18098 7061 1 13 . 1 1 27 27 ILE C C 27 177.716 177.716 178.814 -1.098 18098 7062 1 13 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.263 0.889 18098 7063 1 13 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.840 0.000 18098 7064 1 13 . 1 1 27 27 ILE H H 27 8.488 8.488 8.243 0.245 18098 7065 1 13 . 1 1 28 28 TYR N N 28 121.443 121.443 120.983 0.460 18098 7066 1 13 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.046 0.169 18098 7067 1 13 . 1 1 28 28 TYR C C 28 178.656 178.656 177.463 1.193 18098 7068 1 13 . 1 1 28 28 TYR CA C 28 61.443 61.443 62.055 -0.612 18098 7069 1 13 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.501 -0.667 18098 7070 1 13 . 1 1 28 28 TYR H H 28 7.832 7.832 8.019 -0.187 18098 7071 1 13 . 1 1 29 29 GLN N N 29 115.999 115.999 116.605 -0.606 18098 7072 1 13 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.924 -0.063 18098 7073 1 13 . 1 1 29 29 GLN C C 29 178.537 178.537 177.766 0.771 18098 7074 1 13 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.805 0.392 18098 7075 1 13 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.685 0.603 18098 7076 1 13 . 1 1 29 29 GLN H H 29 8.965 8.965 8.257 0.708 18098 7077 1 13 . 1 1 30 30 SER N N 30 115.599 115.599 114.773 0.826 18098 7078 1 13 . 1 1 30 30 SER HA H 30 4.100 4.100 4.312 -0.212 18098 7079 1 13 . 1 1 30 30 SER C C 30 171.004 171.004 176.075 -5.071 18098 7080 1 13 . 1 1 30 30 SER CA C 30 61.818 61.818 60.952 0.866 18098 7081 1 13 . 1 1 30 30 SER CB C 30 63.196 63.196 63.322 -0.126 18098 7082 1 13 . 1 1 30 30 SER H H 30 7.643 7.643 7.955 -0.312 18098 7083 1 13 . 1 1 31 31 ARG N N 31 114.000 114.000 121.876 -7.876 18098 7084 1 13 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.277 0.349 18098 7085 1 13 . 1 1 31 31 ARG C C 31 176.556 176.556 175.704 0.852 18098 7086 1 13 . 1 1 31 31 ARG CA C 31 55.010 55.010 57.248 -2.238 18098 7087 1 13 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.645 0.014 18098 7088 1 13 . 1 1 31 31 ARG H H 31 6.987 6.987 7.465 -0.478 18098 7089 1 13 . 1 1 32 32 LYS N N 32 120.507 120.507 120.460 0.047 18098 7090 1 13 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.366 0.139 18098 7091 1 13 . 1 1 32 32 LYS C C 32 176.577 176.577 175.310 1.267 18098 7092 1 13 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.068 -0.876 18098 7093 1 13 . 1 1 32 32 LYS CB C 32 31.070 31.070 31.912 -0.842 18098 7094 1 13 . 1 1 32 32 LYS H H 32 7.245 7.245 7.476 -0.231 18098 7095 1 13 . 1 1 33 33 ARG N N 33 119.630 119.630 123.913 -4.283 18098 7096 1 13 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.428 0.048 18098 7097 1 13 . 1 1 33 33 ARG C C 33 177.289 177.289 176.893 0.396 18098 7098 1 13 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.417 -3.028 18098 7099 1 13 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.060 -4.717 18098 7100 1 13 . 1 1 33 33 ARG H H 33 8.831 8.831 7.968 0.863 18098 7101 1 13 . 1 1 34 34 GLY N N 34 107.776 107.776 111.208 -3.432 18098 7102 1 13 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.709 0.204 18098 7103 1 13 . 1 1 34 34 GLY H H 34 8.652 8.652 8.447 0.205 18098 7104 1 13 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.209 0.137 18098 7105 1 13 . 1 1 35 35 ILE C C 35 175.624 175.624 175.844 -0.220 18098 7106 1 13 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.347 -1.343 18098 7107 1 13 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.079 -1.196 18098 7108 1 13 . 1 1 35 35 ILE H H 35 6.841 6.841 7.041 -0.200 18098 7109 1 13 . 1 1 36 36 LEU N N 36 128.200 128.200 124.763 3.437 18098 7110 1 13 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.070 -0.130 18098 7111 1 13 . 1 1 36 36 LEU C C 36 177.994 177.994 178.215 -0.221 18098 7112 1 13 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.637 0.381 18098 7113 1 13 . 1 1 36 36 LEU CB C 36 41.883 41.883 41.288 0.595 18098 7114 1 13 . 1 1 36 36 LEU H H 36 8.518 8.518 8.646 -0.128 18098 7115 1 13 . 1 1 37 37 GLU N N 37 118.515 118.515 118.428 0.087 18098 7116 1 13 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.999 -0.459 18098 7117 1 13 . 1 1 37 37 GLU C C 37 179.332 179.332 178.338 0.994 18098 7118 1 13 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.494 2.013 18098 7119 1 13 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.703 -0.968 18098 7120 1 13 . 1 1 37 37 GLU H H 37 9.964 9.964 8.478 1.486 18098 7121 1 13 . 1 1 38 38 THR N N 38 111.283 111.283 114.337 -3.054 18098 7122 1 13 . 1 1 38 38 THR HA H 38 3.867 3.867 4.136 -0.269 18098 7123 1 13 . 1 1 38 38 THR C C 38 175.061 175.061 176.391 -1.330 18098 7124 1 13 . 1 1 38 38 THR CA C 38 65.735 65.735 65.646 0.089 18098 7125 1 13 . 1 1 38 38 THR CB C 38 67.623 67.623 67.944 -0.321 18098 7126 1 13 . 1 1 38 38 THR H H 38 6.425 6.425 7.621 -1.196 18098 7127 1 13 . 1 1 39 39 ASP N N 39 124.325 124.325 123.526 0.799 18098 7128 1 13 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.445 0.068 18098 7129 1 13 . 1 1 39 39 ASP C C 39 179.225 179.225 178.535 0.690 18098 7130 1 13 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.532 -0.434 18098 7131 1 13 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.800 1.083 18098 7132 1 13 . 1 1 39 39 ASP H H 39 7.997 7.997 7.525 0.472 18098 7133 1 13 . 1 1 40 40 LEU N N 40 118.757 118.757 119.065 -0.308 18098 7134 1 13 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.098 -0.086 18098 7135 1 13 . 1 1 40 40 LEU C C 40 180.528 180.528 179.299 1.229 18098 7136 1 13 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.360 0.732 18098 7137 1 13 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.849 -0.051 18098 7138 1 13 . 1 1 40 40 LEU H H 40 8.623 8.623 7.621 1.002 18098 7139 1 13 . 1 1 41 41 LEU N N 41 119.923 119.923 121.183 -1.260 18098 7140 1 13 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.188 0.205 18098 7141 1 13 . 1 1 41 41 LEU C C 41 177.631 177.631 178.663 -1.032 18098 7142 1 13 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.311 0.046 18098 7143 1 13 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.791 1.548 18098 7144 1 13 . 1 1 41 41 LEU H H 41 7.382 7.382 7.478 -0.096 18098 7145 1 13 . 1 1 42 42 LEU N N 42 115.623 115.623 117.843 -2.220 18098 7146 1 13 . 1 1 42 42 LEU HA H 42 4.273 4.273 3.994 0.279 18098 7147 1 13 . 1 1 42 42 LEU C C 42 179.489 179.489 179.306 0.183 18098 7148 1 13 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.864 -0.295 18098 7149 1 13 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.527 -1.043 18098 7150 1 13 . 1 1 42 42 LEU H H 42 8.963 8.963 8.298 0.665 18098 7151 1 13 . 1 1 43 43 SER N N 43 115.349 115.349 115.563 -0.214 18098 7152 1 13 . 1 1 43 43 SER HA H 43 4.039 4.039 4.329 -0.290 18098 7153 1 13 . 1 1 43 43 SER C C 43 178.200 178.200 177.117 1.083 18098 7154 1 13 . 1 1 43 43 SER CA C 43 62.665 62.665 62.316 0.349 18098 7155 1 13 . 1 1 43 43 SER CB C 43 62.476 62.476 62.779 -0.303 18098 7156 1 13 . 1 1 43 43 SER H H 43 8.535 8.535 8.309 0.226 18098 7157 1 13 . 1 1 44 44 GLY N N 44 110.034 110.034 109.525 0.509 18098 7158 1 13 . 1 1 44 44 GLY C C 44 175.624 175.624 175.480 0.144 18098 7159 1 13 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.881 0.263 18098 7160 1 13 . 1 1 44 44 GLY H H 44 7.812 7.812 8.058 -0.246 18098 7161 1 13 . 1 1 45 45 PHE N N 45 125.487 125.487 122.268 3.219 18098 7162 1 13 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.109 -0.171 18098 7163 1 13 . 1 1 45 45 PHE C C 45 177.482 177.482 176.205 1.277 18098 7164 1 13 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.364 0.881 18098 7165 1 13 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.638 1.281 18098 7166 1 13 . 1 1 45 45 PHE H H 45 8.542 8.542 7.455 1.087 18098 7167 1 13 . 1 1 46 46 ALA N N 46 121.034 121.034 121.185 -0.151 18098 7168 1 13 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.678 0.054 18098 7169 1 13 . 1 1 46 46 ALA C C 46 179.916 179.916 179.367 0.549 18098 7170 1 13 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.807 -0.099 18098 7171 1 13 . 1 1 46 46 ALA CB C 46 18.097 18.097 17.880 0.217 18098 7172 1 13 . 1 1 46 46 ALA H H 46 9.262 9.262 8.011 1.251 18098 7173 1 13 . 1 1 47 47 ALA N N 47 117.642 117.642 119.967 -2.325 18098 7174 1 13 . 1 1 47 47 ALA HA H 47 3.971 3.971 3.987 -0.016 18098 7175 1 13 . 1 1 47 47 ALA C C 47 178.250 178.250 178.531 -0.281 18098 7176 1 13 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.834 -0.451 18098 7177 1 13 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.378 -0.177 18098 7178 1 13 . 1 1 47 47 ALA H H 47 7.481 7.481 7.885 -0.404 18098 7179 1 13 . 1 1 48 48 LYS N N 48 115.388 115.388 117.621 -2.233 18098 7180 1 13 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.041 0.059 18098 7181 1 13 . 1 1 48 48 LYS C C 48 177.845 177.845 178.613 -0.768 18098 7182 1 13 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.487 -0.728 18098 7183 1 13 . 1 1 48 48 LYS CB C 48 33.786 33.786 32.869 0.917 18098 7184 1 13 . 1 1 48 48 LYS H H 48 7.056 7.056 7.342 -0.286 18098 7185 1 13 . 1 1 49 49 TYR N N 49 112.714 112.714 117.147 -4.433 18098 7186 1 13 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.127 0.169 18098 7187 1 13 . 1 1 49 49 TYR C C 49 178.272 178.272 177.893 0.379 18098 7188 1 13 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.904 -0.781 18098 7189 1 13 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.283 1.977 18098 7190 1 13 . 1 1 49 49 TYR H H 49 7.941 7.941 7.897 0.044 18098 7191 1 13 . 1 1 50 50 LEU N N 50 120.890 120.890 118.983 1.907 18098 7192 1 13 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.863 0.112 18098 7193 1 13 . 1 1 50 50 LEU C C 50 180.108 180.108 178.811 1.297 18098 7194 1 13 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.719 1.990 18098 7195 1 13 . 1 1 50 50 LEU CB C 50 40.837 40.837 40.982 -0.145 18098 7196 1 13 . 1 1 50 50 LEU H H 50 7.945 7.945 7.591 0.354 18098 7197 1 13 . 1 1 51 51 LYS N N 51 115.335 115.335 118.887 -3.552 18098 7198 1 13 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.943 -0.085 18098 7199 1 13 . 1 1 51 51 LYS C C 51 176.051 176.051 177.546 -1.495 18098 7200 1 13 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.911 -0.106 18098 7201 1 13 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.222 -0.715 18098 7202 1 13 . 1 1 51 51 LYS H H 51 8.463 8.463 8.378 0.085 18098 7203 1 13 . 1 1 52 52 LYS N N 52 115.175 115.175 114.179 0.996 18098 7204 1 13 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.329 0.081 18098 7205 1 13 . 1 1 52 52 LYS C C 52 176.777 176.777 177.441 -0.664 18098 7206 1 13 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.904 -0.819 18098 7207 1 13 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.798 0.318 18098 7208 1 13 . 1 1 52 52 LYS H H 52 7.232 7.232 7.446 -0.214 18098 7209 1 13 . 1 1 53 53 MET N N 53 120.127 120.127 120.542 -0.415 18098 7210 1 13 . 1 1 53 53 MET HA H 53 4.485 4.485 4.445 0.040 18098 7211 1 13 . 1 1 53 53 MET C C 53 176.179 176.179 176.061 0.118 18098 7212 1 13 . 1 1 53 53 MET CA C 53 57.091 57.091 56.035 1.056 18098 7213 1 13 . 1 1 53 53 MET CB C 53 34.125 34.125 33.423 0.702 18098 7214 1 13 . 1 1 53 53 MET H H 53 7.175 7.175 7.696 -0.521 18098 7215 1 13 . 1 1 54 54 ASN N N 54 120.819 120.819 121.909 -1.090 18098 7216 1 13 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.733 0.032 18098 7217 1 13 . 1 1 54 54 ASN C C 54 175.154 175.154 176.098 -0.944 18098 7218 1 13 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.975 -2.034 18098 7219 1 13 . 1 1 54 54 ASN CB C 54 38.535 38.535 40.648 -2.113 18098 7220 1 13 . 1 1 54 54 ASN H H 54 9.045 9.045 8.580 0.465 18098 7221 1 13 . 1 1 55 55 GLU N N 55 116.971 116.971 123.703 -6.732 18098 7222 1 13 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.945 -0.121 18098 7223 1 13 . 1 1 55 55 GLU C C 55 178.122 178.122 178.015 0.107 18098 7224 1 13 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.279 0.973 18098 7225 1 13 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.776 -0.107 18098 7226 1 13 . 1 1 55 55 GLU H H 55 8.891 8.891 8.997 -0.106 18098 7227 1 13 . 1 1 56 56 GLU N N 56 119.652 119.652 117.403 2.249 18098 7228 1 13 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.052 0.085 18098 7229 1 13 . 1 1 56 56 GLU C C 56 179.937 179.937 179.170 0.767 18098 7230 1 13 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.183 0.633 18098 7231 1 13 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.954 0.128 18098 7232 1 13 . 1 1 56 56 GLU H H 56 8.366 8.366 8.225 0.141 18098 7233 1 13 . 1 1 57 57 GLU N N 57 122.119 122.119 119.990 2.129 18098 7234 1 13 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.242 0.023 18098 7235 1 13 . 1 1 57 57 GLU C C 57 179.332 179.332 179.413 -0.081 18098 7236 1 13 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.480 0.679 18098 7237 1 13 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.601 -0.301 18098 7238 1 13 . 1 1 57 57 GLU H H 57 8.491 8.491 7.752 0.739 18098 7239 1 13 . 1 1 58 58 LEU N N 58 119.424 119.424 119.765 -0.341 18098 7240 1 13 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.129 0.007 18098 7241 1 13 . 1 1 58 58 LEU C C 58 179.218 179.218 179.164 0.054 18098 7242 1 13 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.003 -0.318 18098 7243 1 13 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.348 0.502 18098 7244 1 13 . 1 1 58 58 LEU H H 58 8.693 8.693 8.250 0.443 18098 7245 1 13 . 1 1 59 59 GLU N N 59 118.813 118.813 118.612 0.201 18098 7246 1 13 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.099 0.201 18098 7247 1 13 . 1 1 59 59 GLU C C 59 179.361 179.361 179.359 0.002 18098 7248 1 13 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.343 -0.303 18098 7249 1 13 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.996 0.109 18098 7250 1 13 . 1 1 59 59 GLU H H 59 8.009 8.009 8.269 -0.260 18098 7251 1 13 . 1 1 60 60 GLU N N 60 121.472 121.472 120.628 0.844 18098 7252 1 13 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.190 0.066 18098 7253 1 13 . 1 1 60 60 GLU C C 60 178.451 178.451 178.680 -0.229 18098 7254 1 13 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.733 0.916 18098 7255 1 13 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.431 0.333 18098 7256 1 13 . 1 1 60 60 GLU H H 60 7.867 7.867 7.735 0.132 18098 7257 1 13 . 1 1 61 61 TYR N N 61 121.955 121.955 119.736 2.219 18098 7258 1 13 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.323 -0.189 18098 7259 1 13 . 1 1 61 61 TYR C C 61 176.278 176.278 177.575 -1.297 18098 7260 1 13 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.113 1.058 18098 7261 1 13 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.700 -0.510 18098 7262 1 13 . 1 1 61 61 TYR H H 61 8.675 8.675 8.065 0.610 18098 7263 1 13 . 1 1 62 62 ASP N N 62 118.314 118.314 119.045 -0.731 18098 7264 1 13 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.264 -0.001 18098 7265 1 13 . 1 1 62 62 ASP C C 62 178.464 178.464 178.432 0.032 18098 7266 1 13 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.604 -0.859 18098 7267 1 13 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.701 0.844 18098 7268 1 13 . 1 1 62 62 ASP H H 62 8.481 8.481 8.109 0.372 18098 7269 1 13 . 1 1 63 63 SER N N 63 111.380 111.380 114.917 -3.537 18098 7270 1 13 . 1 1 63 63 SER HA H 63 4.361 4.361 4.231 0.130 18098 7271 1 13 . 1 1 63 63 SER C C 63 178.763 178.763 176.057 2.706 18098 7272 1 13 . 1 1 63 63 SER CA C 63 61.824 61.824 61.491 0.333 18098 7273 1 13 . 1 1 63 63 SER CB C 63 62.830 62.830 63.445 -0.615 18098 7274 1 13 . 1 1 63 63 SER H H 63 7.779 7.779 7.504 0.275 18098 7275 1 13 . 1 1 64 64 LEU N N 64 127.444 127.444 121.207 6.237 18098 7276 1 13 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.378 -0.322 18098 7277 1 13 . 1 1 64 64 LEU C C 64 177.688 177.688 178.258 -0.570 18098 7278 1 13 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.209 0.842 18098 7279 1 13 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.074 -1.899 18098 7280 1 13 . 1 1 64 64 LEU H H 64 8.616 8.616 7.382 1.234 18098 7281 1 13 . 1 1 65 65 LEU N N 65 114.503 114.503 118.265 -3.762 18098 7282 1 13 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.909 -0.141 18098 7283 1 13 . 1 1 65 65 LEU C C 65 178.506 178.506 178.156 0.350 18098 7284 1 13 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.924 -0.559 18098 7285 1 13 . 1 1 65 65 LEU CB C 65 40.463 40.463 41.017 -0.554 18098 7286 1 13 . 1 1 65 65 LEU H H 65 7.700 7.700 7.471 0.229 18098 7287 1 13 . 1 1 66 66 ASN N N 66 116.208 116.208 115.349 0.859 18098 7288 1 13 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.699 0.040 18098 7289 1 13 . 1 1 66 66 ASN C C 66 176.008 176.008 175.453 0.555 18098 7290 1 13 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.070 -0.184 18098 7291 1 13 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.583 0.676 18098 7292 1 13 . 1 1 66 66 ASN H H 66 7.533 7.533 7.712 -0.179 18098 7293 1 13 . 1 1 67 67 GLU N N 67 120.300 120.300 120.240 0.060 18098 7294 1 13 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.565 -0.076 18098 7295 1 13 . 1 1 67 67 GLU C C 67 175.410 175.410 175.969 -0.559 18098 7296 1 13 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.297 -0.331 18098 7297 1 13 . 1 1 67 67 GLU CB C 67 28.420 28.420 31.031 -2.611 18098 7298 1 13 . 1 1 67 67 GLU H H 67 7.948 7.948 7.545 0.403 18098 7299 1 13 . 1 1 68 68 LEU N N 68 120.037 120.037 122.008 -1.971 18098 7300 1 13 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.516 -0.386 18098 7301 1 13 . 1 1 68 68 LEU C C 68 178.720 178.720 177.964 0.756 18098 7302 1 13 . 1 1 68 68 LEU CA C 68 54.706 54.706 53.550 1.156 18098 7303 1 13 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.919 -1.411 18098 7304 1 13 . 1 1 68 68 LEU H H 68 9.451 9.451 8.307 1.144 18098 7305 1 13 . 1 1 69 69 ASP N N 69 120.774 120.774 124.234 -3.460 18098 7306 1 13 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.094 0.083 18098 7307 1 13 . 1 1 69 69 ASP C C 69 179.446 179.446 177.903 1.543 18098 7308 1 13 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.086 1.551 18098 7309 1 13 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.098 0.756 18098 7310 1 13 . 1 1 69 69 ASP H H 69 8.445 8.445 8.753 -0.308 18098 7311 1 13 . 1 1 70 70 TRP N N 70 117.865 117.865 121.374 -3.509 18098 7312 1 13 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.225 -0.107 18098 7313 1 13 . 1 1 70 70 TRP C C 70 176.983 176.983 178.095 -1.112 18098 7314 1 13 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.026 0.077 18098 7315 1 13 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.173 -0.782 18098 7316 1 13 . 1 1 70 70 TRP H H 70 8.809 8.809 8.023 0.786 18098 7317 1 13 . 1 1 71 71 ASP N N 71 116.993 116.993 118.391 -1.398 18098 7318 1 13 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.074 -0.212 18098 7319 1 13 . 1 1 71 71 ASP C C 71 175.218 175.218 177.770 -2.552 18098 7320 1 13 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.856 -0.403 18098 7321 1 13 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.793 -1.070 18098 7322 1 13 . 1 1 71 71 ASP H H 71 6.134 6.134 8.164 -2.030 18098 7323 1 13 . 1 1 72 72 ILE N N 72 115.361 115.361 119.736 -4.375 18098 7324 1 13 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.319 -0.447 18098 7325 1 13 . 1 1 72 72 ILE C C 72 177.097 177.097 177.469 -0.372 18098 7326 1 13 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.965 1.154 18098 7327 1 13 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.658 0.621 18098 7328 1 13 . 1 1 72 72 ILE H H 72 7.302 7.302 7.658 -0.356 18098 7329 1 13 . 1 1 73 73 TYR N N 73 116.121 116.121 120.572 -4.451 18098 7330 1 13 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.808 -0.067 18098 7331 1 13 . 1 1 73 73 TYR C C 73 178.827 178.827 177.335 1.492 18098 7332 1 13 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.385 -0.235 18098 7333 1 13 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.184 -0.012 18098 7334 1 13 . 1 1 73 73 TYR H H 73 7.327 7.327 7.381 -0.054 18098 7335 1 13 . 1 1 74 74 TYR N N 74 121.029 121.029 117.293 3.736 18098 7336 1 13 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.315 -0.039 18098 7337 1 13 . 1 1 74 74 TYR C C 74 178.165 178.165 177.907 0.258 18098 7338 1 13 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.584 -0.307 18098 7339 1 13 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.846 -2.062 18098 7340 1 13 . 1 1 74 74 TYR H H 74 8.922 8.922 7.784 1.138 18098 7341 1 13 . 1 1 75 75 TRP N N 75 121.118 121.118 119.470 1.648 18098 7342 1 13 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.022 0.733 18098 7343 1 13 . 1 1 75 75 TRP C C 75 180.599 180.599 178.635 1.964 18098 7344 1 13 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.512 -0.742 18098 7345 1 13 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.156 0.255 18098 7346 1 13 . 1 1 75 75 TRP H H 75 9.201 9.201 7.804 1.397 18098 7347 1 13 . 1 1 76 76 ALA N N 76 122.129 122.129 121.354 0.775 18098 7348 1 13 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.057 -0.101 18098 7349 1 13 . 1 1 76 76 ALA C C 76 177.546 177.546 178.793 -1.247 18098 7350 1 13 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.433 0.767 18098 7351 1 13 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.565 0.660 18098 7352 1 13 . 1 1 76 76 ALA H H 76 8.761 8.761 7.741 1.020 18098 7353 1 13 . 1 1 77 77 THR N N 77 102.584 102.584 106.240 -3.656 18098 7354 1 13 . 1 1 77 77 THR HA H 77 4.192 4.192 4.000 0.192 18098 7355 1 13 . 1 1 77 77 THR C C 77 173.425 173.425 174.406 -0.981 18098 7356 1 13 . 1 1 77 77 THR CA C 77 60.767 60.767 62.139 -1.372 18098 7357 1 13 . 1 1 77 77 THR CB C 77 69.573 69.573 68.792 0.781 18098 7358 1 13 . 1 1 77 77 THR H H 77 7.411 7.411 7.518 -0.107 18098 7359 1 13 . 1 1 78 78 LYS N N 78 116.069 116.069 118.421 -2.352 18098 7360 1 13 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.411 -0.581 18098 7361 1 13 . 1 1 78 78 LYS C C 78 174.514 174.514 175.618 -1.104 18098 7362 1 13 . 1 1 78 78 LYS CA C 78 57.242 57.242 56.970 0.272 18098 7363 1 13 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.808 -2.475 18098 7364 1 13 . 1 1 78 78 LYS H H 78 7.420 7.420 7.126 0.294 18098 7365 1 13 . 1 1 79 79 ASN N N 79 120.318 120.318 117.352 2.966 18098 7366 1 13 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.494 0.303 18098 7367 1 13 . 1 1 79 79 ASN C C 79 175.581 175.581 176.302 -0.721 18098 7368 1 13 . 1 1 79 79 ASN CA C 79 50.595 50.595 55.768 -5.173 18098 7369 1 13 . 1 1 79 79 ASN CB C 79 36.999 36.999 39.186 -2.187 18098 7370 1 13 . 1 1 79 79 ASN H H 79 8.828 8.828 7.861 0.967 18098 7371 1 13 . 1 1 80 80 PHE N N 80 120.545 120.545 113.208 7.337 18098 7372 1 13 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.509 0.360 18098 7373 1 13 . 1 1 80 80 PHE C C 80 177.311 177.311 176.908 0.403 18098 7374 1 13 . 1 1 80 80 PHE CA C 80 56.745 56.745 59.914 -3.169 18098 7375 1 13 . 1 1 80 80 PHE CB C 80 38.211 38.211 36.353 1.858 18098 7376 1 13 . 1 1 80 80 PHE H H 80 7.581 7.581 7.649 -0.068 18098 7377 1 13 . 1 1 81 81 LYS N N 81 118.568 118.568 120.640 -2.072 18098 7378 1 13 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.035 0.026 18098 7379 1 13 . 1 1 81 81 LYS C C 81 177.845 177.845 177.739 0.106 18098 7380 1 13 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.984 -0.476 18098 7381 1 13 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.513 -0.422 18098 7382 1 13 . 1 1 81 81 LYS H H 81 7.999 7.999 7.738 0.261 18098 7383 1 13 . 1 1 82 82 THR N N 82 111.828 111.828 110.465 1.363 18098 7384 1 13 . 1 1 82 82 THR HA H 82 4.098 4.098 4.181 -0.083 18098 7385 1 13 . 1 1 82 82 THR C C 82 174.556 174.556 175.573 -1.017 18098 7386 1 13 . 1 1 82 82 THR CA C 82 63.796 63.796 63.755 0.041 18098 7387 1 13 . 1 1 82 82 THR CB C 82 68.509 68.509 69.340 -0.831 18098 7388 1 13 . 1 1 82 82 THR H H 82 7.419 7.419 7.797 -0.378 18098 7389 1 13 . 1 1 83 83 SER N N 83 115.546 115.546 118.111 -2.565 18098 7390 1 13 . 1 1 83 83 SER HA H 83 5.000 5.000 5.008 -0.008 18098 7391 1 13 . 1 1 83 83 SER C C 83 170.371 170.371 172.416 -2.045 18098 7392 1 13 . 1 1 83 83 SER CA C 83 54.673 54.673 56.519 -1.846 18098 7393 1 13 . 1 1 83 83 SER CB C 83 63.763 63.763 64.103 -0.340 18098 7394 1 13 . 1 1 83 83 SER H H 83 7.312 7.312 8.018 -0.707 18098 7395 1 13 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.691 -0.136 18098 7396 1 13 . 1 1 84 84 PRO C C 84 176.855 176.855 176.616 0.239 18098 7397 1 13 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.781 -0.241 18098 7398 1 13 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.426 -0.343 18098 7399 1 13 . 1 1 85 85 LEU N N 85 125.147 125.147 121.871 3.276 18098 7400 1 13 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.342 -0.529 18098 7401 1 13 . 1 1 85 85 LEU C C 85 175.168 175.168 175.234 -0.066 18098 7402 1 13 . 1 1 85 85 LEU CA C 85 52.337 52.337 51.970 0.367 18098 7403 1 13 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.808 0.552 18098 7404 1 13 . 1 1 85 85 LEU H H 85 8.171 8.171 8.274 -0.103 18098 7405 1 13 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.568 -0.060 18098 7406 1 13 . 1 1 86 86 PRO C C 86 177.111 177.111 177.071 0.040 18098 7407 1 13 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.250 0.011 18098 7408 1 13 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.658 0.117 18098 7409 1 13 . 1 1 87 87 ASP N N 87 123.224 123.224 122.715 0.509 18098 7410 1 13 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.225 -0.070 18098 7411 1 13 . 1 1 87 87 ASP C C 87 178.392 178.392 177.824 0.568 18098 7412 1 13 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.987 -0.488 18098 7413 1 13 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.745 -0.625 18098 7414 1 13 . 1 1 87 87 ASP H H 87 8.649 8.649 8.697 -0.048 18098 7415 1 13 . 1 1 88 88 LYS N N 88 115.960 115.960 117.780 -1.820 18098 7416 1 13 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.943 -0.112 18098 7417 1 13 . 1 1 88 88 LYS C C 88 176.585 176.585 176.501 0.084 18098 7418 1 13 . 1 1 88 88 LYS CA C 88 58.259 58.259 57.669 0.590 18098 7419 1 13 . 1 1 88 88 LYS CB C 88 31.734 31.734 30.744 0.990 18098 7420 1 13 . 1 1 88 88 LYS H H 88 8.344 8.344 8.383 -0.039 18098 7421 1 13 . 1 1 89 89 TRP N N 89 116.821 116.821 118.180 -1.359 18098 7422 1 13 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.579 0.235 18098 7423 1 13 . 1 1 89 89 TRP C C 89 176.329 176.329 178.462 -2.133 18098 7424 1 13 . 1 1 89 89 TRP CA C 89 56.147 56.147 57.493 -1.346 18098 7425 1 13 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.089 1.413 18098 7426 1 13 . 1 1 89 89 TRP H H 89 7.145 7.145 7.197 -0.052 18098 7427 1 13 . 1 1 90 90 ALA N N 90 122.680 122.680 123.547 -0.867 18098 7428 1 13 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.957 -0.091 18098 7429 1 13 . 1 1 90 90 ALA C C 90 177.965 177.965 177.910 0.055 18098 7430 1 13 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.792 -0.081 18098 7431 1 13 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.571 -0.192 18098 7432 1 13 . 1 1 90 90 ALA H H 90 7.456 7.456 7.686 -0.230 18098 7433 1 13 . 1 1 91 91 ASN N N 91 114.054 114.054 113.568 0.486 18098 7434 1 13 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.905 -0.090 18098 7435 1 13 . 1 1 91 91 ASN C C 91 174.727 174.727 174.241 0.486 18098 7436 1 13 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.812 -0.423 18098 7437 1 13 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.159 -0.452 18098 7438 1 13 . 1 1 91 91 ASN H H 91 8.318 8.318 7.768 0.550 18098 7439 1 13 . 1 1 92 92 SER N N 92 113.359 113.359 116.123 -2.764 18098 7440 1 13 . 1 1 92 92 SER HA H 92 4.649 4.649 4.631 0.018 18098 7441 1 13 . 1 1 92 92 SER C C 92 177.033 177.033 175.204 1.829 18098 7442 1 13 . 1 1 92 92 SER CA C 92 57.599 57.599 57.285 0.314 18098 7443 1 13 . 1 1 92 92 SER CB C 92 64.454 64.454 64.589 -0.135 18098 7444 1 13 . 1 1 92 92 SER H H 92 7.255 7.255 7.656 -0.401 18098 7445 1 13 . 1 1 93 93 LYS N N 93 133.672 133.672 128.967 4.705 18098 7446 1 13 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.162 -0.032 18098 7447 1 13 . 1 1 93 93 LYS C C 93 178.763 178.763 178.072 0.691 18098 7448 1 13 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.162 -0.033 18098 7449 1 13 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.480 -0.397 18098 7450 1 13 . 1 1 93 93 LYS H H 93 9.608 9.608 9.079 0.529 18098 7451 1 13 . 1 1 94 94 LEU N N 94 122.086 122.086 120.314 1.772 18098 7452 1 13 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.209 0.142 18098 7453 1 13 . 1 1 94 94 LEU C C 94 178.663 178.663 178.167 0.496 18098 7454 1 13 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.188 -0.952 18098 7455 1 13 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.903 -0.742 18098 7456 1 13 . 1 1 94 94 LEU H H 94 8.000 8.000 7.975 0.025 18098 7457 1 13 . 1 1 95 95 LEU N N 95 118.720 118.720 118.703 0.017 18098 7458 1 13 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.783 0.142 18098 7459 1 13 . 1 1 95 95 LEU C C 95 178.530 178.530 178.349 0.181 18098 7460 1 13 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.039 -0.658 18098 7461 1 13 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.704 -0.780 18098 7462 1 13 . 1 1 95 95 LEU H H 95 7.997 7.997 7.622 0.375 18098 7463 1 13 . 1 1 96 96 LYS N N 96 117.880 117.880 117.978 -0.098 18098 7464 1 13 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.966 0.290 18098 7465 1 13 . 1 1 96 96 LYS C C 96 179.147 179.147 179.240 -0.093 18098 7466 1 13 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.891 -0.429 18098 7467 1 13 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.085 -0.165 18098 7468 1 13 . 1 1 96 96 LYS H H 96 7.341 7.341 7.504 -0.163 18098 7469 1 13 . 1 1 97 97 GLN N N 97 119.660 119.660 118.085 1.575 18098 7470 1 13 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.327 -0.133 18098 7471 1 13 . 1 1 97 97 GLN C C 97 179.040 179.040 178.499 0.541 18098 7472 1 13 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.124 0.958 18098 7473 1 13 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.606 0.441 18098 7474 1 13 . 1 1 97 97 GLN H H 97 8.007 8.007 8.252 -0.245 18098 7475 1 13 . 1 1 98 98 LEU N N 98 122.983 122.983 121.951 1.032 18098 7476 1 13 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.615 0.236 18098 7477 1 13 . 1 1 98 98 LEU C C 98 178.841 178.841 178.584 0.257 18098 7478 1 13 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.308 0.773 18098 7479 1 13 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.304 0.592 18098 7480 1 13 . 1 1 98 98 LEU H H 98 8.425 8.425 8.093 0.332 18098 7481 1 13 . 1 1 99 99 GLN N N 99 119.099 119.099 118.783 0.316 18098 7482 1 13 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.217 0.423 18098 7483 1 13 . 1 1 99 99 GLN C C 99 179.660 179.660 178.732 0.928 18098 7484 1 13 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.898 -1.082 18098 7485 1 13 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.686 -1.268 18098 7486 1 13 . 1 1 99 99 GLN H H 99 8.594 8.594 8.222 0.372 18098 7487 1 13 . 1 1 100 100 GLU N N 100 120.803 120.803 120.088 0.715 18098 7488 1 13 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.101 0.010 18098 7489 1 13 . 1 1 100 100 GLU C C 100 178.870 178.870 178.963 -0.093 18098 7490 1 13 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.343 0.106 18098 7491 1 13 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.546 -0.166 18098 7492 1 13 . 1 1 100 100 GLU H H 100 8.353 8.353 8.059 0.294 18098 7493 1 13 . 1 1 101 101 PHE N N 101 120.752 120.752 118.911 1.841 18098 7494 1 13 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.345 0.128 18098 7495 1 13 . 1 1 101 101 PHE C C 101 177.289 177.289 176.390 0.899 18098 7496 1 13 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.850 0.267 18098 7497 1 13 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.666 0.036 18098 7498 1 13 . 1 1 101 101 PHE H H 101 8.544 8.544 8.340 0.204 18098 7499 1 13 . 1 1 102 102 SER N N 102 112.889 112.889 113.400 -0.511 18098 7500 1 13 . 1 1 102 102 SER HA H 102 3.821 3.821 4.164 -0.343 18098 7501 1 13 . 1 1 102 102 SER C C 102 176.414 176.414 176.426 -0.012 18098 7502 1 13 . 1 1 102 102 SER CA C 102 61.123 61.123 60.572 0.551 18098 7503 1 13 . 1 1 102 102 SER CB C 102 63.193 63.193 63.485 -0.292 18098 7504 1 13 . 1 1 102 102 SER H H 102 8.314 8.314 8.190 0.124 18098 7505 1 13 . 1 1 103 103 GLU N N 103 118.066 118.066 120.632 -2.566 18098 7506 1 13 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.233 -0.119 18098 7507 1 13 . 1 1 103 103 GLU C C 103 177.375 177.375 177.720 -0.345 18098 7508 1 13 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.256 -0.455 18098 7509 1 13 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.808 0.218 18098 7510 1 13 . 1 1 103 103 GLU H H 103 7.809 7.809 7.827 -0.018 18098 7511 1 13 . 1 1 104 104 ASN N N 104 117.241 117.241 117.958 -0.717 18098 7512 1 13 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.845 -0.198 18098 7513 1 13 . 1 1 104 104 ASN C C 104 175.752 175.752 173.657 2.095 18098 7514 1 13 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.349 1.390 18098 7515 1 13 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.427 0.195 18098 7516 1 13 . 1 1 104 104 ASN H H 104 7.917 7.917 7.686 0.231 18098 7517 1 13 . 1 1 105 105 LYS N N 105 121.903 121.903 120.988 0.915 18098 7518 1 13 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.821 0.247 18098 7519 1 13 . 1 1 105 105 LYS C C 105 177.311 177.311 176.285 1.026 18098 7520 1 13 . 1 1 105 105 LYS CA C 105 57.374 57.374 56.913 0.462 18098 7521 1 13 . 1 1 105 105 LYS CB C 105 32.037 32.037 30.795 1.242 18098 7522 1 13 . 1 1 105 105 LYS H H 105 8.093 8.093 7.756 0.337 18098 7523 1 13 . 1 1 106 106 GLU N N 106 119.595 119.595 123.815 -4.220 18098 7524 1 13 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.382 -0.113 18098 7525 1 13 . 1 1 106 106 GLU C C 106 176.585 176.585 175.452 1.133 18098 7526 1 13 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.353 1.338 18098 7527 1 13 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.640 0.060 18098 7528 1 13 . 1 1 106 106 GLU H H 106 8.200 8.200 8.034 0.166 18098 7529 1 13 . 1 1 107 107 LYS N N 107 120.538 120.538 117.332 3.206 18098 7530 1 13 . 1 1 107 107 LYS HA H 107 4.267 4.267 3.977 0.290 18098 7531 1 13 . 1 1 107 107 LYS C C 107 176.435 176.435 175.831 0.604 18098 7532 1 13 . 1 1 107 107 LYS CA C 107 56.452 56.452 57.360 -0.908 18098 7533 1 13 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.555 1.555 18098 7534 1 13 . 1 1 107 107 LYS H H 107 7.838 7.838 8.160 -0.322 18098 7535 1 13 . 1 1 108 108 GLU N N 108 122.869 122.869 118.519 4.350 18098 7536 1 13 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.366 -0.049 18098 7537 1 13 . 1 1 108 108 GLU C C 108 175.403 175.403 176.123 -0.720 18098 7538 1 13 . 1 1 108 108 GLU CA C 108 56.565 56.565 56.219 0.346 18098 7539 1 13 . 1 1 108 108 GLU CB C 108 30.057 30.057 28.074 1.983 18098 7540 1 13 . 1 1 108 108 GLU H H 108 8.313 8.313 8.204 0.109 18098 7541 1 14 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.686 -0.044 18098 7542 1 14 . 1 1 10 10 HIS C C 10 174.891 174.891 174.083 0.808 18098 7543 1 14 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.198 0.832 18098 7544 1 14 . 1 1 10 10 HIS CB C 10 30.113 30.113 28.837 1.276 18098 7545 1 14 . 1 1 11 11 MET N N 11 121.211 121.211 122.311 -1.100 18098 7546 1 14 . 1 1 11 11 MET HA H 11 4.417 4.417 4.374 0.043 18098 7547 1 14 . 1 1 11 11 MET C C 11 175.709 175.709 176.607 -0.898 18098 7548 1 14 . 1 1 11 11 MET CA C 11 55.405 55.405 54.898 0.507 18098 7549 1 14 . 1 1 11 11 MET CB C 11 32.776 32.776 31.927 0.849 18098 7550 1 14 . 1 1 11 11 MET H H 11 8.179 8.179 7.876 0.303 18098 7551 1 14 . 1 1 12 12 ILE N N 12 122.511 122.511 124.925 -2.414 18098 7552 1 14 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.137 -0.014 18098 7553 1 14 . 1 1 12 12 ILE C C 12 175.809 175.809 176.466 -0.657 18098 7554 1 14 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.774 -0.972 18098 7555 1 14 . 1 1 12 12 ILE CB C 12 38.531 38.531 38.462 0.069 18098 7556 1 14 . 1 1 12 12 ILE H H 12 8.088 8.088 8.420 -0.332 18098 7557 1 14 . 1 1 13 13 LYS N N 13 126.072 126.072 127.677 -1.605 18098 7558 1 14 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.394 -0.066 18098 7559 1 14 . 1 1 13 13 LYS C C 13 176.108 176.108 175.618 0.490 18098 7560 1 14 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.782 0.271 18098 7561 1 14 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.296 0.619 18098 7562 1 14 . 1 1 13 13 LYS H H 13 8.381 8.381 8.432 -0.051 18098 7563 1 14 . 1 1 14 14 ARG N N 14 123.714 123.714 119.716 3.998 18098 7564 1 14 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.078 0.366 18098 7565 1 14 . 1 1 14 14 ARG C C 14 176.428 176.428 174.873 1.555 18098 7566 1 14 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.649 -0.907 18098 7567 1 14 . 1 1 14 14 ARG CB C 14 30.781 30.781 29.227 1.554 18098 7568 1 14 . 1 1 14 14 ARG H H 14 8.484 8.484 8.300 0.184 18098 7569 1 14 . 1 1 15 15 THR N N 15 115.338 115.338 111.495 3.843 18098 7570 1 14 . 1 1 15 15 THR HA H 15 4.367 4.367 4.407 -0.040 18098 7571 1 14 . 1 1 15 15 THR C C 15 174.172 174.172 174.985 -0.813 18098 7572 1 14 . 1 1 15 15 THR CA C 15 61.501 61.501 61.428 0.073 18098 7573 1 14 . 1 1 15 15 THR CB C 15 69.868 69.868 69.393 0.475 18098 7574 1 14 . 1 1 15 15 THR H H 15 8.279 8.279 7.826 0.453 18098 7575 1 14 . 1 1 16 16 ASN N N 16 120.727 120.727 125.585 -4.858 18098 7576 1 14 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.520 0.158 18098 7577 1 14 . 1 1 16 16 ASN C C 16 174.482 174.482 174.491 -0.009 18098 7578 1 14 . 1 1 16 16 ASN CA C 16 53.072 53.072 54.150 -1.078 18098 7579 1 14 . 1 1 16 16 ASN CB C 16 38.381 38.381 39.170 -0.790 18098 7580 1 14 . 1 1 16 16 ASN H H 16 8.612 8.612 8.715 -0.103 18098 7581 1 14 . 1 1 17 17 GLU N N 17 123.790 123.790 125.133 -1.343 18098 7582 1 14 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.546 0.055 18098 7583 1 14 . 1 1 17 17 GLU C C 17 173.823 173.823 174.992 -1.169 18098 7584 1 14 . 1 1 17 17 GLU CA C 17 53.965 53.965 53.008 0.957 18098 7585 1 14 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.313 1.450 18098 7586 1 14 . 1 1 17 17 GLU H H 17 8.113 8.113 8.416 -0.303 18098 7587 1 14 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.480 0.035 18098 7588 1 14 . 1 1 18 18 PRO C C 18 177.709 177.709 177.447 0.262 18098 7589 1 14 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.033 0.732 18098 7590 1 14 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.797 -0.316 18098 7591 1 14 . 1 1 19 19 LEU N N 19 123.760 123.760 121.183 2.577 18098 7592 1 14 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.134 -0.128 18098 7593 1 14 . 1 1 19 19 LEU C C 19 178.307 178.307 178.014 0.293 18098 7594 1 14 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.316 1.147 18098 7595 1 14 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.206 0.592 18098 7596 1 14 . 1 1 19 19 LEU H H 19 8.720 8.720 8.546 0.174 18098 7597 1 14 . 1 1 20 20 ASP N N 20 115.650 115.650 119.248 -3.598 18098 7598 1 14 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.425 -0.064 18098 7599 1 14 . 1 1 20 20 ASP C C 20 179.531 179.531 178.796 0.735 18098 7600 1 14 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.727 -0.640 18098 7601 1 14 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.026 -0.705 18098 7602 1 14 . 1 1 20 20 ASP H H 20 8.829 8.829 8.707 0.122 18098 7603 1 14 . 1 1 21 21 LYS N N 21 121.462 121.462 119.755 1.707 18098 7604 1 14 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.099 0.033 18098 7605 1 14 . 1 1 21 21 LYS C C 21 178.421 178.421 178.586 -0.165 18098 7606 1 14 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.833 -0.550 18098 7607 1 14 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.429 -0.449 18098 7608 1 14 . 1 1 21 21 LYS H H 21 7.352 7.352 8.155 -0.803 18098 7609 1 14 . 1 1 22 22 LYS N N 22 123.296 123.296 121.120 2.176 18098 7610 1 14 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.031 -0.041 18098 7611 1 14 . 1 1 22 22 LYS C C 22 178.179 178.179 178.373 -0.194 18098 7612 1 14 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.758 0.096 18098 7613 1 14 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.359 0.428 18098 7614 1 14 . 1 1 22 22 LYS H H 22 8.407 8.407 7.912 0.495 18098 7615 1 14 . 1 1 23 23 ARG N N 23 116.950 116.950 119.521 -2.571 18098 7616 1 14 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.028 -0.294 18098 7617 1 14 . 1 1 23 23 ARG C C 23 177.460 177.460 178.423 -0.963 18098 7618 1 14 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.466 1.039 18098 7619 1 14 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.174 0.093 18098 7620 1 14 . 1 1 23 23 ARG H H 23 8.594 8.594 8.124 0.470 18098 7621 1 14 . 1 1 24 24 ALA N N 24 118.391 118.391 120.640 -2.249 18098 7622 1 14 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.112 -0.068 18098 7623 1 14 . 1 1 24 24 ALA C C 24 180.514 180.514 179.623 0.891 18098 7624 1 14 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.992 0.077 18098 7625 1 14 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.159 -0.225 18098 7626 1 14 . 1 1 24 24 ALA H H 24 7.505 7.505 8.143 -0.638 18098 7627 1 14 . 1 1 25 25 ARG N N 25 120.413 120.413 119.429 0.984 18098 7628 1 14 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.211 -0.004 18098 7629 1 14 . 1 1 25 25 ARG C C 25 178.058 178.058 178.738 -0.680 18098 7630 1 14 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.214 0.179 18098 7631 1 14 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.319 -0.707 18098 7632 1 14 . 1 1 25 25 ARG H H 25 8.291 8.291 7.767 0.524 18098 7633 1 14 . 1 1 26 26 LEU N N 26 119.205 119.205 119.708 -0.503 18098 7634 1 14 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.183 -0.038 18098 7635 1 14 . 1 1 26 26 LEU C C 26 180.642 180.642 179.206 1.436 18098 7636 1 14 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.786 -0.011 18098 7637 1 14 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.242 -0.542 18098 7638 1 14 . 1 1 26 26 LEU H H 26 8.305 8.305 8.302 0.003 18098 7639 1 14 . 1 1 27 27 ILE N N 27 123.643 123.643 119.172 4.471 18098 7640 1 14 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.826 -0.225 18098 7641 1 14 . 1 1 27 27 ILE C C 27 177.716 177.716 178.603 -0.887 18098 7642 1 14 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.225 0.927 18098 7643 1 14 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.806 0.035 18098 7644 1 14 . 1 1 27 27 ILE H H 27 8.488 8.488 8.063 0.425 18098 7645 1 14 . 1 1 28 28 TYR N N 28 121.443 121.443 120.797 0.646 18098 7646 1 14 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.119 0.096 18098 7647 1 14 . 1 1 28 28 TYR C C 28 178.656 178.656 177.162 1.494 18098 7648 1 14 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.547 -0.104 18098 7649 1 14 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.606 -0.772 18098 7650 1 14 . 1 1 28 28 TYR H H 28 7.832 7.832 7.906 -0.074 18098 7651 1 14 . 1 1 29 29 GLN N N 29 115.999 115.999 116.321 -0.322 18098 7652 1 14 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.765 0.096 18098 7653 1 14 . 1 1 29 29 GLN C C 29 178.537 178.537 177.756 0.781 18098 7654 1 14 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.194 0.003 18098 7655 1 14 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.928 0.360 18098 7656 1 14 . 1 1 29 29 GLN H H 29 8.965 8.965 8.173 0.792 18098 7657 1 14 . 1 1 30 30 SER N N 30 115.599 115.599 114.233 1.366 18098 7658 1 14 . 1 1 30 30 SER HA H 30 4.100 4.100 4.219 -0.119 18098 7659 1 14 . 1 1 30 30 SER C C 30 171.004 171.004 176.088 -5.084 18098 7660 1 14 . 1 1 30 30 SER CA C 30 61.818 61.818 61.265 0.553 18098 7661 1 14 . 1 1 30 30 SER CB C 30 63.196 63.196 63.720 -0.524 18098 7662 1 14 . 1 1 30 30 SER H H 30 7.643 7.643 7.935 -0.292 18098 7663 1 14 . 1 1 31 31 ARG N N 31 114.000 114.000 118.295 -4.295 18098 7664 1 14 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.482 0.144 18098 7665 1 14 . 1 1 31 31 ARG C C 31 176.556 176.556 175.514 1.042 18098 7666 1 14 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.750 -1.740 18098 7667 1 14 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.658 0.001 18098 7668 1 14 . 1 1 31 31 ARG H H 31 6.987 6.987 7.431 -0.444 18098 7669 1 14 . 1 1 32 32 LYS N N 32 120.507 120.507 120.762 -0.255 18098 7670 1 14 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.260 0.245 18098 7671 1 14 . 1 1 32 32 LYS C C 32 176.577 176.577 175.188 1.389 18098 7672 1 14 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.731 -1.540 18098 7673 1 14 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.816 -1.746 18098 7674 1 14 . 1 1 32 32 LYS H H 32 7.245 7.245 6.997 0.248 18098 7675 1 14 . 1 1 33 33 ARG N N 33 119.630 119.630 122.962 -3.332 18098 7676 1 14 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.476 0.000 18098 7677 1 14 . 1 1 33 33 ARG C C 33 177.289 177.289 175.501 1.788 18098 7678 1 14 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.354 -1.965 18098 7679 1 14 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.790 -5.447 18098 7680 1 14 . 1 1 33 33 ARG H H 33 8.831 8.831 8.386 0.445 18098 7681 1 14 . 1 1 34 34 GLY N N 34 107.776 107.776 107.879 -0.103 18098 7682 1 14 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.199 0.714 18098 7683 1 14 . 1 1 34 34 GLY H H 34 8.652 8.652 8.468 0.184 18098 7684 1 14 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.299 0.047 18098 7685 1 14 . 1 1 35 35 ILE C C 35 175.624 175.624 175.255 0.369 18098 7686 1 14 . 1 1 35 35 ILE CA C 35 58.004 58.004 60.051 -2.047 18098 7687 1 14 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.872 -0.989 18098 7688 1 14 . 1 1 35 35 ILE H H 35 6.841 6.841 7.247 -0.406 18098 7689 1 14 . 1 1 36 36 LEU N N 36 128.200 128.200 127.569 0.631 18098 7690 1 14 . 1 1 36 36 LEU HA H 36 3.940 3.940 3.869 0.071 18098 7691 1 14 . 1 1 36 36 LEU C C 36 177.994 177.994 177.499 0.495 18098 7692 1 14 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.599 0.419 18098 7693 1 14 . 1 1 36 36 LEU CB C 36 41.883 41.883 42.158 -0.275 18098 7694 1 14 . 1 1 36 36 LEU H H 36 8.518 8.518 8.677 -0.159 18098 7695 1 14 . 1 1 37 37 GLU N N 37 118.515 118.515 118.007 0.508 18098 7696 1 14 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.862 -0.322 18098 7697 1 14 . 1 1 37 37 GLU C C 37 179.332 179.332 178.465 0.867 18098 7698 1 14 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.595 1.912 18098 7699 1 14 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.492 -0.757 18098 7700 1 14 . 1 1 37 37 GLU H H 37 9.964 9.964 8.288 1.676 18098 7701 1 14 . 1 1 38 38 THR N N 38 111.283 111.283 116.117 -4.834 18098 7702 1 14 . 1 1 38 38 THR HA H 38 3.867 3.867 4.047 -0.180 18098 7703 1 14 . 1 1 38 38 THR C C 38 175.061 175.061 176.242 -1.181 18098 7704 1 14 . 1 1 38 38 THR CA C 38 65.735 65.735 66.553 -0.818 18098 7705 1 14 . 1 1 38 38 THR CB C 38 67.623 67.623 68.116 -0.493 18098 7706 1 14 . 1 1 38 38 THR H H 38 6.425 6.425 7.351 -0.926 18098 7707 1 14 . 1 1 39 39 ASP N N 39 124.325 124.325 123.419 0.906 18098 7708 1 14 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.327 0.186 18098 7709 1 14 . 1 1 39 39 ASP C C 39 179.225 179.225 178.528 0.697 18098 7710 1 14 . 1 1 39 39 ASP CA C 39 57.098 57.098 58.217 -1.119 18098 7711 1 14 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.881 1.002 18098 7712 1 14 . 1 1 39 39 ASP H H 39 7.997 7.997 8.064 -0.067 18098 7713 1 14 . 1 1 40 40 LEU N N 40 118.757 118.757 119.225 -0.468 18098 7714 1 14 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.150 -0.139 18098 7715 1 14 . 1 1 40 40 LEU C C 40 180.528 180.528 179.410 1.118 18098 7716 1 14 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.178 0.914 18098 7717 1 14 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.996 -0.198 18098 7718 1 14 . 1 1 40 40 LEU H H 40 8.623 8.623 7.794 0.829 18098 7719 1 14 . 1 1 41 41 LEU N N 41 119.923 119.923 121.422 -1.499 18098 7720 1 14 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.192 0.201 18098 7721 1 14 . 1 1 41 41 LEU C C 41 177.631 177.631 178.566 -0.935 18098 7722 1 14 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.449 -0.092 18098 7723 1 14 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.880 1.459 18098 7724 1 14 . 1 1 41 41 LEU H H 41 7.382 7.382 7.843 -0.461 18098 7725 1 14 . 1 1 42 42 LEU N N 42 115.623 115.623 117.468 -1.845 18098 7726 1 14 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.104 0.169 18098 7727 1 14 . 1 1 42 42 LEU C C 42 179.489 179.489 179.432 0.057 18098 7728 1 14 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.617 -0.048 18098 7729 1 14 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.400 -0.916 18098 7730 1 14 . 1 1 42 42 LEU H H 42 8.963 8.963 8.148 0.816 18098 7731 1 14 . 1 1 43 43 SER N N 43 115.349 115.349 115.727 -0.378 18098 7732 1 14 . 1 1 43 43 SER HA H 43 4.039 4.039 4.252 -0.213 18098 7733 1 14 . 1 1 43 43 SER C C 43 178.200 178.200 177.052 1.148 18098 7734 1 14 . 1 1 43 43 SER CA C 43 62.665 62.665 61.689 0.976 18098 7735 1 14 . 1 1 43 43 SER CB C 43 62.476 62.476 62.923 -0.447 18098 7736 1 14 . 1 1 43 43 SER H H 43 8.535 8.535 8.363 0.172 18098 7737 1 14 . 1 1 44 44 GLY N N 44 110.034 110.034 109.007 1.027 18098 7738 1 14 . 1 1 44 44 GLY C C 44 175.624 175.624 175.857 -0.233 18098 7739 1 14 . 1 1 44 44 GLY CA C 44 47.144 47.144 47.020 0.124 18098 7740 1 14 . 1 1 44 44 GLY H H 44 7.812 7.812 8.003 -0.191 18098 7741 1 14 . 1 1 45 45 PHE N N 45 125.487 125.487 122.270 3.217 18098 7742 1 14 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.135 -0.197 18098 7743 1 14 . 1 1 45 45 PHE C C 45 177.482 177.482 176.285 1.197 18098 7744 1 14 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.669 0.576 18098 7745 1 14 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.811 1.108 18098 7746 1 14 . 1 1 45 45 PHE H H 45 8.542 8.542 7.813 0.729 18098 7747 1 14 . 1 1 46 46 ALA N N 46 121.034 121.034 121.313 -0.279 18098 7748 1 14 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.709 0.023 18098 7749 1 14 . 1 1 46 46 ALA C C 46 179.916 179.916 179.422 0.494 18098 7750 1 14 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.894 -0.186 18098 7751 1 14 . 1 1 46 46 ALA CB C 46 18.097 18.097 17.988 0.109 18098 7752 1 14 . 1 1 46 46 ALA H H 46 9.262 9.262 8.151 1.111 18098 7753 1 14 . 1 1 47 47 ALA N N 47 117.642 117.642 119.612 -1.970 18098 7754 1 14 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.007 -0.036 18098 7755 1 14 . 1 1 47 47 ALA C C 47 178.250 178.250 178.431 -0.181 18098 7756 1 14 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.705 -0.322 18098 7757 1 14 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.370 -0.169 18098 7758 1 14 . 1 1 47 47 ALA H H 47 7.481 7.481 7.896 -0.415 18098 7759 1 14 . 1 1 48 48 LYS N N 48 115.388 115.388 117.090 -1.702 18098 7760 1 14 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.046 0.054 18098 7761 1 14 . 1 1 48 48 LYS C C 48 177.845 177.845 178.933 -1.088 18098 7762 1 14 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.595 -0.835 18098 7763 1 14 . 1 1 48 48 LYS CB C 48 33.786 33.786 32.907 0.879 18098 7764 1 14 . 1 1 48 48 LYS H H 48 7.056 7.056 7.344 -0.288 18098 7765 1 14 . 1 1 49 49 TYR N N 49 112.714 112.714 117.819 -5.105 18098 7766 1 14 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.071 0.225 18098 7767 1 14 . 1 1 49 49 TYR C C 49 178.272 178.272 177.796 0.476 18098 7768 1 14 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.877 -0.754 18098 7769 1 14 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.050 2.210 18098 7770 1 14 . 1 1 49 49 TYR H H 49 7.941 7.941 8.091 -0.150 18098 7771 1 14 . 1 1 50 50 LEU N N 50 120.890 120.890 118.132 2.758 18098 7772 1 14 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.904 0.071 18098 7773 1 14 . 1 1 50 50 LEU C C 50 180.108 180.108 177.902 2.206 18098 7774 1 14 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.454 2.255 18098 7775 1 14 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.389 -0.552 18098 7776 1 14 . 1 1 50 50 LEU H H 50 7.945 7.945 7.622 0.323 18098 7777 1 14 . 1 1 51 51 LYS N N 51 115.335 115.335 116.162 -0.827 18098 7778 1 14 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.011 -0.153 18098 7779 1 14 . 1 1 51 51 LYS C C 51 176.051 176.051 177.434 -1.383 18098 7780 1 14 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.215 0.590 18098 7781 1 14 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.495 -0.988 18098 7782 1 14 . 1 1 51 51 LYS H H 51 8.463 8.463 8.068 0.395 18098 7783 1 14 . 1 1 52 52 LYS N N 52 115.175 115.175 115.623 -0.448 18098 7784 1 14 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.182 0.228 18098 7785 1 14 . 1 1 52 52 LYS C C 52 176.777 176.777 177.336 -0.559 18098 7786 1 14 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.887 -1.802 18098 7787 1 14 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.666 0.450 18098 7788 1 14 . 1 1 52 52 LYS H H 52 7.232 7.232 7.478 -0.246 18098 7789 1 14 . 1 1 53 53 MET N N 53 120.127 120.127 120.301 -0.174 18098 7790 1 14 . 1 1 53 53 MET HA H 53 4.485 4.485 4.509 -0.024 18098 7791 1 14 . 1 1 53 53 MET C C 53 176.179 176.179 175.881 0.298 18098 7792 1 14 . 1 1 53 53 MET CA C 53 57.091 57.091 55.679 1.412 18098 7793 1 14 . 1 1 53 53 MET CB C 53 34.125 34.125 33.570 0.555 18098 7794 1 14 . 1 1 53 53 MET H H 53 7.175 7.175 7.752 -0.577 18098 7795 1 14 . 1 1 54 54 ASN N N 54 120.819 120.819 121.022 -0.203 18098 7796 1 14 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.820 -0.055 18098 7797 1 14 . 1 1 54 54 ASN C C 54 175.154 175.154 175.912 -0.758 18098 7798 1 14 . 1 1 54 54 ASN CA C 54 50.941 50.941 51.761 -0.820 18098 7799 1 14 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.091 -0.556 18098 7800 1 14 . 1 1 54 54 ASN H H 54 9.045 9.045 8.815 0.230 18098 7801 1 14 . 1 1 55 55 GLU N N 55 116.971 116.971 118.909 -1.938 18098 7802 1 14 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.950 -0.126 18098 7803 1 14 . 1 1 55 55 GLU C C 55 178.122 178.122 178.598 -0.476 18098 7804 1 14 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.837 0.414 18098 7805 1 14 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.312 0.357 18098 7806 1 14 . 1 1 55 55 GLU H H 55 8.891 8.891 8.905 -0.014 18098 7807 1 14 . 1 1 56 56 GLU N N 56 119.652 119.652 118.713 0.939 18098 7808 1 14 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.303 -0.166 18098 7809 1 14 . 1 1 56 56 GLU C C 56 179.937 179.937 179.499 0.438 18098 7810 1 14 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.037 0.779 18098 7811 1 14 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.517 -0.435 18098 7812 1 14 . 1 1 56 56 GLU H H 56 8.366 8.366 8.025 0.341 18098 7813 1 14 . 1 1 57 57 GLU N N 57 122.119 122.119 119.996 2.123 18098 7814 1 14 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.241 0.024 18098 7815 1 14 . 1 1 57 57 GLU C C 57 179.332 179.332 179.237 0.095 18098 7816 1 14 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.908 0.251 18098 7817 1 14 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.960 -0.660 18098 7818 1 14 . 1 1 57 57 GLU H H 57 8.491 8.491 7.933 0.558 18098 7819 1 14 . 1 1 58 58 LEU N N 58 119.424 119.424 119.479 -0.055 18098 7820 1 14 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.105 0.031 18098 7821 1 14 . 1 1 58 58 LEU C C 58 179.218 179.218 179.228 -0.010 18098 7822 1 14 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.192 -0.507 18098 7823 1 14 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.631 0.219 18098 7824 1 14 . 1 1 58 58 LEU H H 58 8.693 8.693 8.421 0.272 18098 7825 1 14 . 1 1 59 59 GLU N N 59 118.813 118.813 117.835 0.978 18098 7826 1 14 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.110 0.190 18098 7827 1 14 . 1 1 59 59 GLU C C 59 179.361 179.361 178.922 0.439 18098 7828 1 14 . 1 1 59 59 GLU CA C 59 59.039 59.039 58.994 0.045 18098 7829 1 14 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.978 0.127 18098 7830 1 14 . 1 1 59 59 GLU H H 59 8.009 8.009 8.351 -0.342 18098 7831 1 14 . 1 1 60 60 GLU N N 60 121.472 121.472 121.592 -0.120 18098 7832 1 14 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.150 0.106 18098 7833 1 14 . 1 1 60 60 GLU C C 60 178.451 178.451 178.651 -0.200 18098 7834 1 14 . 1 1 60 60 GLU CA C 60 59.649 59.649 59.019 0.630 18098 7835 1 14 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.873 -0.109 18098 7836 1 14 . 1 1 60 60 GLU H H 60 7.867 7.867 7.742 0.125 18098 7837 1 14 . 1 1 61 61 TYR N N 61 121.955 121.955 119.857 2.098 18098 7838 1 14 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.316 -0.182 18098 7839 1 14 . 1 1 61 61 TYR C C 61 176.278 176.278 177.533 -1.255 18098 7840 1 14 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.961 1.210 18098 7841 1 14 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.762 -0.572 18098 7842 1 14 . 1 1 61 61 TYR H H 61 8.675 8.675 8.144 0.531 18098 7843 1 14 . 1 1 62 62 ASP N N 62 118.314 118.314 119.326 -1.012 18098 7844 1 14 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.235 0.028 18098 7845 1 14 . 1 1 62 62 ASP C C 62 178.464 178.464 178.538 -0.074 18098 7846 1 14 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.664 -0.919 18098 7847 1 14 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.642 0.903 18098 7848 1 14 . 1 1 62 62 ASP H H 62 8.481 8.481 8.336 0.145 18098 7849 1 14 . 1 1 63 63 SER N N 63 111.380 111.380 115.117 -3.737 18098 7850 1 14 . 1 1 63 63 SER HA H 63 4.361 4.361 4.269 0.092 18098 7851 1 14 . 1 1 63 63 SER C C 63 178.763 178.763 176.121 2.642 18098 7852 1 14 . 1 1 63 63 SER CA C 63 61.824 61.824 61.475 0.349 18098 7853 1 14 . 1 1 63 63 SER CB C 63 62.830 62.830 63.464 -0.634 18098 7854 1 14 . 1 1 63 63 SER H H 63 7.779 7.779 7.791 -0.012 18098 7855 1 14 . 1 1 64 64 LEU N N 64 127.444 127.444 121.101 6.343 18098 7856 1 14 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.117 -0.061 18098 7857 1 14 . 1 1 64 64 LEU C C 64 177.688 177.688 178.229 -0.541 18098 7858 1 14 . 1 1 64 64 LEU CA C 64 58.051 58.051 56.935 1.116 18098 7859 1 14 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.024 -1.849 18098 7860 1 14 . 1 1 64 64 LEU H H 64 8.616 8.616 7.385 1.231 18098 7861 1 14 . 1 1 65 65 LEU N N 65 114.503 114.503 118.897 -4.394 18098 7862 1 14 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.904 -0.136 18098 7863 1 14 . 1 1 65 65 LEU C C 65 178.506 178.506 178.111 0.395 18098 7864 1 14 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.864 -0.499 18098 7865 1 14 . 1 1 65 65 LEU CB C 65 40.463 40.463 41.247 -0.784 18098 7866 1 14 . 1 1 65 65 LEU H H 65 7.700 7.700 7.777 -0.077 18098 7867 1 14 . 1 1 66 66 ASN N N 66 116.208 116.208 114.811 1.397 18098 7868 1 14 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.721 0.018 18098 7869 1 14 . 1 1 66 66 ASN C C 66 176.008 176.008 175.224 0.784 18098 7870 1 14 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.938 -0.052 18098 7871 1 14 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.516 0.743 18098 7872 1 14 . 1 1 66 66 ASN H H 66 7.533 7.533 7.744 -0.211 18098 7873 1 14 . 1 1 67 67 GLU N N 67 120.300 120.300 120.383 -0.083 18098 7874 1 14 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.545 -0.056 18098 7875 1 14 . 1 1 67 67 GLU C C 67 175.410 175.410 175.928 -0.518 18098 7876 1 14 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.264 -0.298 18098 7877 1 14 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.952 -2.532 18098 7878 1 14 . 1 1 67 67 GLU H H 67 7.948 7.948 7.423 0.525 18098 7879 1 14 . 1 1 68 68 LEU N N 68 120.037 120.037 121.386 -1.349 18098 7880 1 14 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.309 -0.179 18098 7881 1 14 . 1 1 68 68 LEU C C 68 178.720 178.720 177.721 0.999 18098 7882 1 14 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.632 0.074 18098 7883 1 14 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.125 -0.617 18098 7884 1 14 . 1 1 68 68 LEU H H 68 9.451 9.451 8.414 1.037 18098 7885 1 14 . 1 1 69 69 ASP N N 69 120.774 120.774 125.134 -4.360 18098 7886 1 14 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.099 0.078 18098 7887 1 14 . 1 1 69 69 ASP C C 69 179.446 179.446 178.241 1.205 18098 7888 1 14 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.511 0.126 18098 7889 1 14 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.269 0.585 18098 7890 1 14 . 1 1 69 69 ASP H H 69 8.445 8.445 8.761 -0.316 18098 7891 1 14 . 1 1 70 70 TRP N N 70 117.865 117.865 119.903 -2.038 18098 7892 1 14 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.128 -0.010 18098 7893 1 14 . 1 1 70 70 TRP C C 70 176.983 176.983 177.665 -0.682 18098 7894 1 14 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.652 0.451 18098 7895 1 14 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.212 -0.821 18098 7896 1 14 . 1 1 70 70 TRP H H 70 8.809 8.809 8.001 0.808 18098 7897 1 14 . 1 1 71 71 ASP N N 71 116.993 116.993 118.286 -1.293 18098 7898 1 14 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.039 -0.177 18098 7899 1 14 . 1 1 71 71 ASP C C 71 175.218 175.218 177.489 -2.271 18098 7900 1 14 . 1 1 71 71 ASP CA C 71 57.453 57.453 58.082 -0.629 18098 7901 1 14 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.858 -1.135 18098 7902 1 14 . 1 1 71 71 ASP H H 71 6.134 6.134 8.053 -1.919 18098 7903 1 14 . 1 1 72 72 ILE N N 72 115.361 115.361 119.540 -4.179 18098 7904 1 14 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.136 -0.264 18098 7905 1 14 . 1 1 72 72 ILE C C 72 177.097 177.097 177.311 -0.214 18098 7906 1 14 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.935 1.184 18098 7907 1 14 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.613 0.666 18098 7908 1 14 . 1 1 72 72 ILE H H 72 7.302 7.302 7.428 -0.126 18098 7909 1 14 . 1 1 73 73 TYR N N 73 116.121 116.121 120.384 -4.263 18098 7910 1 14 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.920 -0.179 18098 7911 1 14 . 1 1 73 73 TYR C C 73 178.827 178.827 177.360 1.467 18098 7912 1 14 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.105 0.045 18098 7913 1 14 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.367 -0.195 18098 7914 1 14 . 1 1 73 73 TYR H H 73 7.327 7.327 7.176 0.151 18098 7915 1 14 . 1 1 74 74 TYR N N 74 121.029 121.029 118.041 2.988 18098 7916 1 14 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.329 -0.053 18098 7917 1 14 . 1 1 74 74 TYR C C 74 178.165 178.165 177.687 0.478 18098 7918 1 14 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.720 0.557 18098 7919 1 14 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.516 -1.732 18098 7920 1 14 . 1 1 74 74 TYR H H 74 8.922 8.922 7.593 1.329 18098 7921 1 14 . 1 1 75 75 TRP N N 75 121.118 121.118 118.567 2.551 18098 7922 1 14 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.142 0.613 18098 7923 1 14 . 1 1 75 75 TRP C C 75 180.599 180.599 177.742 2.857 18098 7924 1 14 . 1 1 75 75 TRP CA C 75 57.770 57.770 57.834 -0.064 18098 7925 1 14 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.001 0.410 18098 7926 1 14 . 1 1 75 75 TRP H H 75 9.201 9.201 7.648 1.553 18098 7927 1 14 . 1 1 76 76 ALA N N 76 122.129 122.129 120.603 1.526 18098 7928 1 14 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.229 -0.273 18098 7929 1 14 . 1 1 76 76 ALA C C 76 177.546 177.546 177.874 -0.328 18098 7930 1 14 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.736 1.464 18098 7931 1 14 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.327 -0.102 18098 7932 1 14 . 1 1 76 76 ALA H H 76 8.761 8.761 7.656 1.105 18098 7933 1 14 . 1 1 77 77 THR N N 77 102.584 102.584 110.347 -7.763 18098 7934 1 14 . 1 1 77 77 THR HA H 77 4.192 4.192 4.252 -0.060 18098 7935 1 14 . 1 1 77 77 THR C C 77 173.425 173.425 173.874 -0.449 18098 7936 1 14 . 1 1 77 77 THR CA C 77 60.767 60.767 60.324 0.443 18098 7937 1 14 . 1 1 77 77 THR CB C 77 69.573 69.573 70.143 -0.570 18098 7938 1 14 . 1 1 77 77 THR H H 77 7.411 7.411 7.477 -0.066 18098 7939 1 14 . 1 1 78 78 LYS N N 78 116.069 116.069 117.836 -1.767 18098 7940 1 14 . 1 1 78 78 LYS HA H 78 2.830 2.830 4.440 -1.610 18098 7941 1 14 . 1 1 78 78 LYS C C 78 174.514 174.514 176.918 -2.404 18098 7942 1 14 . 1 1 78 78 LYS CA C 78 57.242 57.242 55.877 1.365 18098 7943 1 14 . 1 1 78 78 LYS CB C 78 28.333 28.333 32.135 -3.802 18098 7944 1 14 . 1 1 78 78 LYS H H 78 7.420 7.420 8.273 -0.853 18098 7945 1 14 . 1 1 79 79 ASN N N 79 120.318 120.318 120.555 -0.237 18098 7946 1 14 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.778 0.019 18098 7947 1 14 . 1 1 79 79 ASN C C 79 175.581 175.581 174.579 1.002 18098 7948 1 14 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.719 -1.124 18098 7949 1 14 . 1 1 79 79 ASN CB C 79 36.999 36.999 36.466 0.533 18098 7950 1 14 . 1 1 79 79 ASN H H 79 8.828 8.828 7.712 1.116 18098 7951 1 14 . 1 1 80 80 PHE N N 80 120.545 120.545 120.151 0.394 18098 7952 1 14 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.761 0.108 18098 7953 1 14 . 1 1 80 80 PHE C C 80 177.311 177.311 177.659 -0.348 18098 7954 1 14 . 1 1 80 80 PHE CA C 80 56.745 56.745 60.333 -3.588 18098 7955 1 14 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.855 -0.644 18098 7956 1 14 . 1 1 80 80 PHE H H 80 7.581 7.581 7.531 0.050 18098 7957 1 14 . 1 1 81 81 LYS N N 81 118.568 118.568 119.767 -1.199 18098 7958 1 14 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.062 -0.001 18098 7959 1 14 . 1 1 81 81 LYS C C 81 177.845 177.845 178.040 -0.195 18098 7960 1 14 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.962 -0.454 18098 7961 1 14 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.116 -0.025 18098 7962 1 14 . 1 1 81 81 LYS H H 81 7.999 7.999 8.392 -0.393 18098 7963 1 14 . 1 1 82 82 THR N N 82 111.828 111.828 114.143 -2.315 18098 7964 1 14 . 1 1 82 82 THR HA H 82 4.098 4.098 4.035 0.063 18098 7965 1 14 . 1 1 82 82 THR C C 82 174.556 174.556 175.381 -0.825 18098 7966 1 14 . 1 1 82 82 THR CA C 82 63.796 63.796 64.053 -0.257 18098 7967 1 14 . 1 1 82 82 THR CB C 82 68.509 68.509 68.955 -0.446 18098 7968 1 14 . 1 1 82 82 THR H H 82 7.419 7.419 7.456 -0.037 18098 7969 1 14 . 1 1 83 83 SER N N 83 115.546 115.546 116.934 -1.388 18098 7970 1 14 . 1 1 83 83 SER HA H 83 5.000 5.000 5.031 -0.031 18098 7971 1 14 . 1 1 83 83 SER C C 83 170.371 170.371 172.325 -1.954 18098 7972 1 14 . 1 1 83 83 SER CA C 83 54.673 54.673 56.252 -1.579 18098 7973 1 14 . 1 1 83 83 SER CB C 83 63.763 63.763 64.865 -1.102 18098 7974 1 14 . 1 1 83 83 SER H H 83 7.312 7.312 7.649 -0.337 18098 7975 1 14 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.789 -0.234 18098 7976 1 14 . 1 1 84 84 PRO C C 84 176.855 176.855 176.929 -0.074 18098 7977 1 14 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.743 -0.203 18098 7978 1 14 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.420 -0.337 18098 7979 1 14 . 1 1 85 85 LEU N N 85 125.147 125.147 124.160 0.987 18098 7980 1 14 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.479 -0.666 18098 7981 1 14 . 1 1 85 85 LEU C C 85 175.168 175.168 175.270 -0.102 18098 7982 1 14 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.548 -0.211 18098 7983 1 14 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.532 0.828 18098 7984 1 14 . 1 1 85 85 LEU H H 85 8.171 8.171 8.527 -0.356 18098 7985 1 14 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.611 -0.103 18098 7986 1 14 . 1 1 86 86 PRO C C 86 177.111 177.111 176.783 0.328 18098 7987 1 14 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.368 -0.107 18098 7988 1 14 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.902 -0.127 18098 7989 1 14 . 1 1 87 87 ASP N N 87 123.224 123.224 122.399 0.825 18098 7990 1 14 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.196 -0.041 18098 7991 1 14 . 1 1 87 87 ASP C C 87 178.392 178.392 177.719 0.673 18098 7992 1 14 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.590 -0.091 18098 7993 1 14 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.579 -0.459 18098 7994 1 14 . 1 1 87 87 ASP H H 87 8.649 8.649 8.610 0.039 18098 7995 1 14 . 1 1 88 88 LYS N N 88 115.960 115.960 116.750 -0.790 18098 7996 1 14 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.828 0.003 18098 7997 1 14 . 1 1 88 88 LYS C C 88 176.585 176.585 176.751 -0.166 18098 7998 1 14 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.134 0.125 18098 7999 1 14 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.474 0.260 18098 8000 1 14 . 1 1 88 88 LYS H H 88 8.344 8.344 8.095 0.249 18098 8001 1 14 . 1 1 89 89 TRP N N 89 116.821 116.821 118.526 -1.705 18098 8002 1 14 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.694 0.120 18098 8003 1 14 . 1 1 89 89 TRP C C 89 176.329 176.329 177.953 -1.624 18098 8004 1 14 . 1 1 89 89 TRP CA C 89 56.147 56.147 57.321 -1.174 18098 8005 1 14 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.565 0.937 18098 8006 1 14 . 1 1 89 89 TRP H H 89 7.145 7.145 7.149 -0.004 18098 8007 1 14 . 1 1 90 90 ALA N N 90 122.680 122.680 121.933 0.747 18098 8008 1 14 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.028 -0.162 18098 8009 1 14 . 1 1 90 90 ALA C C 90 177.965 177.965 177.569 0.396 18098 8010 1 14 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.536 0.175 18098 8011 1 14 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.626 -0.247 18098 8012 1 14 . 1 1 90 90 ALA H H 90 7.456 7.456 7.728 -0.272 18098 8013 1 14 . 1 1 91 91 ASN N N 91 114.054 114.054 112.632 1.422 18098 8014 1 14 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.795 0.020 18098 8015 1 14 . 1 1 91 91 ASN C C 91 174.727 174.727 174.800 -0.073 18098 8016 1 14 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.077 0.312 18098 8017 1 14 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.795 -0.089 18098 8018 1 14 . 1 1 91 91 ASN H H 91 8.318 8.318 7.724 0.594 18098 8019 1 14 . 1 1 92 92 SER N N 92 113.359 113.359 116.786 -3.427 18098 8020 1 14 . 1 1 92 92 SER HA H 92 4.649 4.649 4.627 0.022 18098 8021 1 14 . 1 1 92 92 SER C C 92 177.033 177.033 175.107 1.926 18098 8022 1 14 . 1 1 92 92 SER CA C 92 57.599 57.599 57.451 0.148 18098 8023 1 14 . 1 1 92 92 SER CB C 92 64.454 64.454 65.694 -1.240 18098 8024 1 14 . 1 1 92 92 SER H H 92 7.255 7.255 7.699 -0.444 18098 8025 1 14 . 1 1 93 93 LYS N N 93 133.672 133.672 126.658 7.014 18098 8026 1 14 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.235 -0.105 18098 8027 1 14 . 1 1 93 93 LYS C C 93 178.763 178.763 178.253 0.510 18098 8028 1 14 . 1 1 93 93 LYS CA C 93 59.129 59.129 58.844 0.285 18098 8029 1 14 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.462 -0.379 18098 8030 1 14 . 1 1 93 93 LYS H H 93 9.608 9.608 8.835 0.773 18098 8031 1 14 . 1 1 94 94 LEU N N 94 122.086 122.086 120.934 1.152 18098 8032 1 14 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.193 0.158 18098 8033 1 14 . 1 1 94 94 LEU C C 94 178.663 178.663 178.246 0.417 18098 8034 1 14 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.241 -1.005 18098 8035 1 14 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.980 -0.819 18098 8036 1 14 . 1 1 94 94 LEU H H 94 8.000 8.000 8.161 -0.161 18098 8037 1 14 . 1 1 95 95 LEU N N 95 118.720 118.720 119.067 -0.347 18098 8038 1 14 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.918 0.007 18098 8039 1 14 . 1 1 95 95 LEU C C 95 178.530 178.530 178.311 0.219 18098 8040 1 14 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.561 -1.180 18098 8041 1 14 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.586 -0.661 18098 8042 1 14 . 1 1 95 95 LEU H H 95 7.997 7.997 7.669 0.328 18098 8043 1 14 . 1 1 96 96 LYS N N 96 117.880 117.880 117.173 0.707 18098 8044 1 14 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.013 0.243 18098 8045 1 14 . 1 1 96 96 LYS C C 96 179.147 179.147 179.306 -0.159 18098 8046 1 14 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.840 -0.378 18098 8047 1 14 . 1 1 96 96 LYS CB C 96 31.920 31.920 31.968 -0.048 18098 8048 1 14 . 1 1 96 96 LYS H H 96 7.341 7.341 7.569 -0.228 18098 8049 1 14 . 1 1 97 97 GLN N N 97 119.660 119.660 118.407 1.253 18098 8050 1 14 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.317 -0.123 18098 8051 1 14 . 1 1 97 97 GLN C C 97 179.040 179.040 178.619 0.421 18098 8052 1 14 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.367 0.715 18098 8053 1 14 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.498 0.548 18098 8054 1 14 . 1 1 97 97 GLN H H 97 8.007 8.007 8.025 -0.018 18098 8055 1 14 . 1 1 98 98 LEU N N 98 122.983 122.983 122.021 0.962 18098 8056 1 14 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.711 0.140 18098 8057 1 14 . 1 1 98 98 LEU C C 98 178.841 178.841 178.739 0.102 18098 8058 1 14 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.687 0.394 18098 8059 1 14 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.426 0.470 18098 8060 1 14 . 1 1 98 98 LEU H H 98 8.425 8.425 8.183 0.242 18098 8061 1 14 . 1 1 99 99 GLN N N 99 119.099 119.099 118.789 0.310 18098 8062 1 14 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.233 0.407 18098 8063 1 14 . 1 1 99 99 GLN C C 99 179.660 179.660 178.904 0.756 18098 8064 1 14 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.070 -1.254 18098 8065 1 14 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.765 -1.348 18098 8066 1 14 . 1 1 99 99 GLN H H 99 8.594 8.594 8.232 0.362 18098 8067 1 14 . 1 1 100 100 GLU N N 100 120.803 120.803 120.408 0.395 18098 8068 1 14 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.087 0.024 18098 8069 1 14 . 1 1 100 100 GLU C C 100 178.870 178.870 179.090 -0.220 18098 8070 1 14 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.374 0.075 18098 8071 1 14 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.728 -0.348 18098 8072 1 14 . 1 1 100 100 GLU H H 100 8.353 8.353 8.136 0.217 18098 8073 1 14 . 1 1 101 101 PHE N N 101 120.752 120.752 120.563 0.189 18098 8074 1 14 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.328 0.145 18098 8075 1 14 . 1 1 101 101 PHE C C 101 177.289 177.289 177.123 0.166 18098 8076 1 14 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.721 0.396 18098 8077 1 14 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.495 0.208 18098 8078 1 14 . 1 1 101 101 PHE H H 101 8.544 8.544 8.603 -0.059 18098 8079 1 14 . 1 1 102 102 SER N N 102 112.889 112.889 114.397 -1.508 18098 8080 1 14 . 1 1 102 102 SER HA H 102 3.821 3.821 3.887 -0.066 18098 8081 1 14 . 1 1 102 102 SER C C 102 176.414 176.414 176.577 -0.163 18098 8082 1 14 . 1 1 102 102 SER CA C 102 61.123 61.123 61.621 -0.498 18098 8083 1 14 . 1 1 102 102 SER CB C 102 63.193 63.193 62.900 0.293 18098 8084 1 14 . 1 1 102 102 SER H H 102 8.314 8.314 8.117 0.197 18098 8085 1 14 . 1 1 103 103 GLU N N 103 118.066 118.066 119.017 -0.951 18098 8086 1 14 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.201 -0.087 18098 8087 1 14 . 1 1 103 103 GLU C C 103 177.375 177.375 178.078 -0.703 18098 8088 1 14 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.156 -0.355 18098 8089 1 14 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.605 0.421 18098 8090 1 14 . 1 1 103 103 GLU H H 103 7.809 7.809 7.739 0.070 18098 8091 1 14 . 1 1 104 104 ASN N N 104 117.241 117.241 117.229 0.012 18098 8092 1 14 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.836 -0.189 18098 8093 1 14 . 1 1 104 104 ASN C C 104 175.752 175.752 174.668 1.084 18098 8094 1 14 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.144 0.595 18098 8095 1 14 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.853 -0.231 18098 8096 1 14 . 1 1 104 104 ASN H H 104 7.917 7.917 7.882 0.035 18098 8097 1 14 . 1 1 105 105 LYS N N 105 121.903 121.903 120.486 1.417 18098 8098 1 14 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.807 0.261 18098 8099 1 14 . 1 1 105 105 LYS C C 105 177.311 177.311 175.983 1.328 18098 8100 1 14 . 1 1 105 105 LYS CA C 105 57.374 57.374 57.154 0.221 18098 8101 1 14 . 1 1 105 105 LYS CB C 105 32.037 32.037 30.415 1.622 18098 8102 1 14 . 1 1 105 105 LYS H H 105 8.093 8.093 7.528 0.565 18098 8103 1 14 . 1 1 106 106 GLU N N 106 119.595 119.595 121.293 -1.698 18098 8104 1 14 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.431 -0.162 18098 8105 1 14 . 1 1 106 106 GLU C C 106 176.585 176.585 177.111 -0.526 18098 8106 1 14 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.743 -0.052 18098 8107 1 14 . 1 1 106 106 GLU CB C 106 29.700 29.700 31.290 -1.590 18098 8108 1 14 . 1 1 106 106 GLU H H 106 8.200 8.200 8.221 -0.021 18098 8109 1 14 . 1 1 107 107 LYS N N 107 120.538 120.538 121.992 -1.454 18098 8110 1 14 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.377 -0.110 18098 8111 1 14 . 1 1 107 107 LYS C C 107 176.435 176.435 176.436 -0.001 18098 8112 1 14 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.064 0.388 18098 8113 1 14 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.877 1.233 18098 8114 1 14 . 1 1 107 107 LYS H H 107 7.838 7.838 8.286 -0.448 18098 8115 1 14 . 1 1 108 108 GLU N N 108 122.869 122.869 123.548 -0.679 18098 8116 1 14 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.675 -0.358 18098 8117 1 14 . 1 1 108 108 GLU C C 108 175.403 175.403 175.994 -0.591 18098 8118 1 14 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.526 1.039 18098 8119 1 14 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.968 -0.911 18098 8120 1 14 . 1 1 108 108 GLU H H 108 8.313 8.313 8.271 0.042 18098 8121 1 15 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.761 -0.119 18098 8122 1 15 . 1 1 10 10 HIS C C 10 174.891 174.891 174.060 0.831 18098 8123 1 15 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.485 0.545 18098 8124 1 15 . 1 1 10 10 HIS CB C 10 30.113 30.113 29.622 0.491 18098 8125 1 15 . 1 1 11 11 MET N N 11 121.211 121.211 123.245 -2.034 18098 8126 1 15 . 1 1 11 11 MET HA H 11 4.417 4.417 4.394 0.023 18098 8127 1 15 . 1 1 11 11 MET C C 11 175.709 175.709 176.115 -0.406 18098 8128 1 15 . 1 1 11 11 MET CA C 11 55.405 55.405 56.877 -1.472 18098 8129 1 15 . 1 1 11 11 MET CB C 11 32.776 32.776 33.073 -0.297 18098 8130 1 15 . 1 1 11 11 MET H H 11 8.179 8.179 8.615 -0.436 18098 8131 1 15 . 1 1 12 12 ILE N N 12 122.511 122.511 120.944 1.567 18098 8132 1 15 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.039 0.084 18098 8133 1 15 . 1 1 12 12 ILE C C 12 175.809 175.809 175.165 0.644 18098 8134 1 15 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.808 -1.006 18098 8135 1 15 . 1 1 12 12 ILE CB C 12 38.531 38.531 38.255 0.276 18098 8136 1 15 . 1 1 12 12 ILE H H 12 8.088 8.088 7.759 0.329 18098 8137 1 15 . 1 1 13 13 LYS N N 13 126.072 126.072 124.895 1.177 18098 8138 1 15 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.119 0.209 18098 8139 1 15 . 1 1 13 13 LYS C C 13 176.108 176.108 175.281 0.827 18098 8140 1 15 . 1 1 13 13 LYS CA C 13 56.053 56.053 57.007 -0.954 18098 8141 1 15 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.226 0.689 18098 8142 1 15 . 1 1 13 13 LYS H H 13 8.381 8.381 8.523 -0.142 18098 8143 1 15 . 1 1 14 14 ARG N N 14 123.714 123.714 122.047 1.667 18098 8144 1 15 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.495 -0.051 18098 8145 1 15 . 1 1 14 14 ARG C C 14 176.428 176.428 176.351 0.077 18098 8146 1 15 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.941 -1.199 18098 8147 1 15 . 1 1 14 14 ARG CB C 14 30.781 30.781 31.159 -0.378 18098 8148 1 15 . 1 1 14 14 ARG H H 14 8.484 8.484 8.621 -0.137 18098 8149 1 15 . 1 1 15 15 THR N N 15 115.338 115.338 108.945 6.393 18098 8150 1 15 . 1 1 15 15 THR HA H 15 4.367 4.367 4.720 -0.353 18098 8151 1 15 . 1 1 15 15 THR C C 15 174.172 174.172 174.316 -0.144 18098 8152 1 15 . 1 1 15 15 THR CA C 15 61.501 61.501 61.543 -0.042 18098 8153 1 15 . 1 1 15 15 THR CB C 15 69.868 69.868 69.956 -0.088 18098 8154 1 15 . 1 1 15 15 THR H H 15 8.279 8.279 7.692 0.587 18098 8155 1 15 . 1 1 16 16 ASN N N 16 120.727 120.727 119.815 0.912 18098 8156 1 15 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.529 0.149 18098 8157 1 15 . 1 1 16 16 ASN C C 16 174.482 174.482 173.902 0.580 18098 8158 1 15 . 1 1 16 16 ASN CA C 16 53.072 53.072 54.089 -1.016 18098 8159 1 15 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.059 0.321 18098 8160 1 15 . 1 1 16 16 ASN H H 16 8.612 8.612 8.613 -0.001 18098 8161 1 15 . 1 1 17 17 GLU N N 17 123.790 123.790 117.701 6.089 18098 8162 1 15 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.708 -0.107 18098 8163 1 15 . 1 1 17 17 GLU C C 17 173.823 173.823 173.801 0.022 18098 8164 1 15 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.073 -0.108 18098 8165 1 15 . 1 1 17 17 GLU CB C 17 31.763 31.763 31.088 0.675 18098 8166 1 15 . 1 1 17 17 GLU H H 17 8.113 8.113 7.720 0.393 18098 8167 1 15 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.500 0.015 18098 8168 1 15 . 1 1 18 18 PRO C C 18 177.709 177.709 177.178 0.531 18098 8169 1 15 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.554 0.211 18098 8170 1 15 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.739 -0.258 18098 8171 1 15 . 1 1 19 19 LEU N N 19 123.760 123.760 123.168 0.592 18098 8172 1 15 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.014 -0.008 18098 8173 1 15 . 1 1 19 19 LEU C C 19 178.307 178.307 178.594 -0.287 18098 8174 1 15 . 1 1 19 19 LEU CA C 19 58.463 58.463 58.171 0.292 18098 8175 1 15 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.289 0.509 18098 8176 1 15 . 1 1 19 19 LEU H H 19 8.720 8.720 8.591 0.129 18098 8177 1 15 . 1 1 20 20 ASP N N 20 115.650 115.650 118.920 -3.270 18098 8178 1 15 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.297 0.064 18098 8179 1 15 . 1 1 20 20 ASP C C 20 179.531 179.531 178.427 1.104 18098 8180 1 15 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.715 -0.628 18098 8181 1 15 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.666 -1.345 18098 8182 1 15 . 1 1 20 20 ASP H H 20 8.829 8.829 8.801 0.028 18098 8183 1 15 . 1 1 21 21 LYS N N 21 121.462 121.462 118.860 2.602 18098 8184 1 15 . 1 1 21 21 LYS HA H 21 4.132 4.132 3.994 0.138 18098 8185 1 15 . 1 1 21 21 LYS C C 21 178.421 178.421 178.881 -0.460 18098 8186 1 15 . 1 1 21 21 LYS CA C 21 58.283 58.283 59.177 -0.894 18098 8187 1 15 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.423 -0.443 18098 8188 1 15 . 1 1 21 21 LYS H H 21 7.352 7.352 7.663 -0.311 18098 8189 1 15 . 1 1 22 22 LYS N N 22 123.296 123.296 119.878 3.418 18098 8190 1 15 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.001 -0.011 18098 8191 1 15 . 1 1 22 22 LYS C C 22 178.179 178.179 178.910 -0.731 18098 8192 1 15 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.588 0.266 18098 8193 1 15 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.386 0.400 18098 8194 1 15 . 1 1 22 22 LYS H H 22 8.407 8.407 7.535 0.872 18098 8195 1 15 . 1 1 23 23 ARG N N 23 116.950 116.950 118.108 -1.158 18098 8196 1 15 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.946 -0.212 18098 8197 1 15 . 1 1 23 23 ARG C C 23 177.460 177.460 178.481 -1.021 18098 8198 1 15 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.679 0.826 18098 8199 1 15 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.041 0.226 18098 8200 1 15 . 1 1 23 23 ARG H H 23 8.594 8.594 8.149 0.445 18098 8201 1 15 . 1 1 24 24 ALA N N 24 118.391 118.391 121.279 -2.888 18098 8202 1 15 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.000 0.044 18098 8203 1 15 . 1 1 24 24 ALA C C 24 180.514 180.514 179.347 1.167 18098 8204 1 15 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.357 -0.288 18098 8205 1 15 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.388 -0.454 18098 8206 1 15 . 1 1 24 24 ALA H H 24 7.505 7.505 8.148 -0.643 18098 8207 1 15 . 1 1 25 25 ARG N N 25 120.413 120.413 119.231 1.182 18098 8208 1 15 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.150 0.057 18098 8209 1 15 . 1 1 25 25 ARG C C 25 178.058 178.058 178.703 -0.645 18098 8210 1 15 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.294 0.099 18098 8211 1 15 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.342 -0.730 18098 8212 1 15 . 1 1 25 25 ARG H H 25 8.291 8.291 7.901 0.390 18098 8213 1 15 . 1 1 26 26 LEU N N 26 119.205 119.205 119.724 -0.519 18098 8214 1 15 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.231 -0.086 18098 8215 1 15 . 1 1 26 26 LEU C C 26 180.642 180.642 179.440 1.202 18098 8216 1 15 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.822 -0.047 18098 8217 1 15 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.201 -0.501 18098 8218 1 15 . 1 1 26 26 LEU H H 26 8.305 8.305 7.927 0.378 18098 8219 1 15 . 1 1 27 27 ILE N N 27 123.643 123.643 119.299 4.344 18098 8220 1 15 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.841 -0.240 18098 8221 1 15 . 1 1 27 27 ILE C C 27 177.716 177.716 178.654 -0.938 18098 8222 1 15 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.415 0.737 18098 8223 1 15 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.891 -0.050 18098 8224 1 15 . 1 1 27 27 ILE H H 27 8.488 8.488 8.403 0.085 18098 8225 1 15 . 1 1 28 28 TYR N N 28 121.443 121.443 120.439 1.004 18098 8226 1 15 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.006 0.209 18098 8227 1 15 . 1 1 28 28 TYR C C 28 178.656 178.656 177.628 1.028 18098 8228 1 15 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.998 -0.555 18098 8229 1 15 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.421 -0.587 18098 8230 1 15 . 1 1 28 28 TYR H H 28 7.832 7.832 7.873 -0.041 18098 8231 1 15 . 1 1 29 29 GLN N N 29 115.999 115.999 116.183 -0.184 18098 8232 1 15 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.800 0.061 18098 8233 1 15 . 1 1 29 29 GLN C C 29 178.537 178.537 177.931 0.606 18098 8234 1 15 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.191 0.006 18098 8235 1 15 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.753 0.535 18098 8236 1 15 . 1 1 29 29 GLN H H 29 8.965 8.965 8.104 0.861 18098 8237 1 15 . 1 1 30 30 SER N N 30 115.599 115.599 113.178 2.421 18098 8238 1 15 . 1 1 30 30 SER HA H 30 4.100 4.100 4.193 -0.093 18098 8239 1 15 . 1 1 30 30 SER C C 30 171.004 171.004 176.117 -5.113 18098 8240 1 15 . 1 1 30 30 SER CA C 30 61.818 61.818 60.795 1.023 18098 8241 1 15 . 1 1 30 30 SER CB C 30 63.196 63.196 63.439 -0.243 18098 8242 1 15 . 1 1 30 30 SER H H 30 7.643 7.643 7.783 -0.140 18098 8243 1 15 . 1 1 31 31 ARG N N 31 114.000 114.000 119.546 -5.546 18098 8244 1 15 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.275 0.351 18098 8245 1 15 . 1 1 31 31 ARG C C 31 176.556 176.556 176.350 0.206 18098 8246 1 15 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.776 -1.766 18098 8247 1 15 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.729 -0.070 18098 8248 1 15 . 1 1 31 31 ARG H H 31 6.987 6.987 7.340 -0.353 18098 8249 1 15 . 1 1 32 32 LYS N N 32 120.507 120.507 121.313 -0.806 18098 8250 1 15 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.188 0.317 18098 8251 1 15 . 1 1 32 32 LYS C C 32 176.577 176.577 175.938 0.639 18098 8252 1 15 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.413 -1.222 18098 8253 1 15 . 1 1 32 32 LYS CB C 32 31.070 31.070 31.251 -0.181 18098 8254 1 15 . 1 1 32 32 LYS H H 32 7.245 7.245 7.440 -0.195 18098 8255 1 15 . 1 1 33 33 ARG N N 33 119.630 119.630 122.657 -3.027 18098 8256 1 15 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.458 0.018 18098 8257 1 15 . 1 1 33 33 ARG C C 33 177.289 177.289 176.173 1.116 18098 8258 1 15 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.141 -1.752 18098 8259 1 15 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.120 -4.777 18098 8260 1 15 . 1 1 33 33 ARG H H 33 8.831 8.831 7.844 0.987 18098 8261 1 15 . 1 1 34 34 GLY N N 34 107.776 107.776 109.484 -1.708 18098 8262 1 15 . 1 1 34 34 GLY CA C 34 45.913 45.913 46.236 -0.324 18098 8263 1 15 . 1 1 34 34 GLY H H 34 8.652 8.652 8.467 0.185 18098 8264 1 15 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.207 0.139 18098 8265 1 15 . 1 1 35 35 ILE C C 35 175.624 175.624 175.887 -0.263 18098 8266 1 15 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.832 -1.828 18098 8267 1 15 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.553 -0.671 18098 8268 1 15 . 1 1 35 35 ILE H H 35 6.841 6.841 7.303 -0.462 18098 8269 1 15 . 1 1 36 36 LEU N N 36 128.200 128.200 125.348 2.852 18098 8270 1 15 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.133 -0.193 18098 8271 1 15 . 1 1 36 36 LEU C C 36 177.994 177.994 178.558 -0.564 18098 8272 1 15 . 1 1 36 36 LEU CA C 36 58.018 58.018 56.160 1.858 18098 8273 1 15 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.242 1.641 18098 8274 1 15 . 1 1 36 36 LEU H H 36 8.518 8.518 8.726 -0.208 18098 8275 1 15 . 1 1 37 37 GLU N N 37 118.515 118.515 118.836 -0.321 18098 8276 1 15 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.783 -0.243 18098 8277 1 15 . 1 1 37 37 GLU C C 37 179.332 179.332 178.683 0.649 18098 8278 1 15 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.479 2.028 18098 8279 1 15 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.689 -0.954 18098 8280 1 15 . 1 1 37 37 GLU H H 37 9.964 9.964 8.427 1.537 18098 8281 1 15 . 1 1 38 38 THR N N 38 111.283 111.283 114.653 -3.370 18098 8282 1 15 . 1 1 38 38 THR HA H 38 3.867 3.867 3.829 0.038 18098 8283 1 15 . 1 1 38 38 THR C C 38 175.061 175.061 175.607 -0.546 18098 8284 1 15 . 1 1 38 38 THR CA C 38 65.735 65.735 66.030 -0.295 18098 8285 1 15 . 1 1 38 38 THR CB C 38 67.623 67.623 68.278 -0.655 18098 8286 1 15 . 1 1 38 38 THR H H 38 6.425 6.425 7.386 -0.961 18098 8287 1 15 . 1 1 39 39 ASP N N 39 124.325 124.325 123.254 1.071 18098 8288 1 15 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.277 0.236 18098 8289 1 15 . 1 1 39 39 ASP C C 39 179.225 179.225 178.146 1.079 18098 8290 1 15 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.452 -0.354 18098 8291 1 15 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.886 0.997 18098 8292 1 15 . 1 1 39 39 ASP H H 39 7.997 7.997 7.365 0.632 18098 8293 1 15 . 1 1 40 40 LEU N N 40 118.757 118.757 118.953 -0.196 18098 8294 1 15 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.046 -0.035 18098 8295 1 15 . 1 1 40 40 LEU C C 40 180.528 180.528 180.052 0.476 18098 8296 1 15 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.180 0.912 18098 8297 1 15 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.693 0.105 18098 8298 1 15 . 1 1 40 40 LEU H H 40 8.623 8.623 7.626 0.997 18098 8299 1 15 . 1 1 41 41 LEU N N 41 119.923 119.923 121.429 -1.506 18098 8300 1 15 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.242 0.151 18098 8301 1 15 . 1 1 41 41 LEU C C 41 177.631 177.631 178.143 -0.512 18098 8302 1 15 . 1 1 41 41 LEU CA C 41 58.357 58.357 57.998 0.359 18098 8303 1 15 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.108 1.231 18098 8304 1 15 . 1 1 41 41 LEU H H 41 7.382 7.382 7.229 0.153 18098 8305 1 15 . 1 1 42 42 LEU N N 42 115.623 115.623 117.790 -2.167 18098 8306 1 15 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.114 0.159 18098 8307 1 15 . 1 1 42 42 LEU C C 42 179.489 179.489 179.344 0.145 18098 8308 1 15 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.648 -0.079 18098 8309 1 15 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.331 -0.847 18098 8310 1 15 . 1 1 42 42 LEU H H 42 8.963 8.963 8.294 0.669 18098 8311 1 15 . 1 1 43 43 SER N N 43 115.349 115.349 115.515 -0.166 18098 8312 1 15 . 1 1 43 43 SER HA H 43 4.039 4.039 4.233 -0.194 18098 8313 1 15 . 1 1 43 43 SER C C 43 178.200 178.200 176.786 1.414 18098 8314 1 15 . 1 1 43 43 SER CA C 43 62.665 62.665 61.943 0.722 18098 8315 1 15 . 1 1 43 43 SER CB C 43 62.476 62.476 62.935 -0.459 18098 8316 1 15 . 1 1 43 43 SER H H 43 8.535 8.535 8.619 -0.084 18098 8317 1 15 . 1 1 44 44 GLY N N 44 110.034 110.034 109.074 0.960 18098 8318 1 15 . 1 1 44 44 GLY C C 44 175.624 175.624 176.125 -0.501 18098 8319 1 15 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.974 0.170 18098 8320 1 15 . 1 1 44 44 GLY H H 44 7.812 7.812 7.858 -0.046 18098 8321 1 15 . 1 1 45 45 PHE N N 45 125.487 125.487 122.707 2.780 18098 8322 1 15 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.429 -0.491 18098 8323 1 15 . 1 1 45 45 PHE C C 45 177.482 177.482 176.319 1.163 18098 8324 1 15 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.618 0.627 18098 8325 1 15 . 1 1 45 45 PHE CB C 45 39.919 39.919 39.026 0.893 18098 8326 1 15 . 1 1 45 45 PHE H H 45 8.542 8.542 7.965 0.577 18098 8327 1 15 . 1 1 46 46 ALA N N 46 121.034 121.034 121.644 -0.610 18098 8328 1 15 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.771 -0.039 18098 8329 1 15 . 1 1 46 46 ALA C C 46 179.916 179.916 179.085 0.831 18098 8330 1 15 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.749 -0.041 18098 8331 1 15 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.213 -0.116 18098 8332 1 15 . 1 1 46 46 ALA H H 46 9.262 9.262 8.139 1.123 18098 8333 1 15 . 1 1 47 47 ALA N N 47 117.642 117.642 120.507 -2.865 18098 8334 1 15 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.045 -0.074 18098 8335 1 15 . 1 1 47 47 ALA C C 47 178.250 178.250 178.802 -0.552 18098 8336 1 15 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.534 -0.151 18098 8337 1 15 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.503 -0.302 18098 8338 1 15 . 1 1 47 47 ALA H H 47 7.481 7.481 7.957 -0.476 18098 8339 1 15 . 1 1 48 48 LYS N N 48 115.388 115.388 118.009 -2.621 18098 8340 1 15 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.085 0.015 18098 8341 1 15 . 1 1 48 48 LYS C C 48 177.845 177.845 178.507 -0.662 18098 8342 1 15 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.349 -0.589 18098 8343 1 15 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.146 0.640 18098 8344 1 15 . 1 1 48 48 LYS H H 48 7.056 7.056 7.463 -0.407 18098 8345 1 15 . 1 1 49 49 TYR N N 49 112.714 112.714 117.292 -4.578 18098 8346 1 15 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.070 0.226 18098 8347 1 15 . 1 1 49 49 TYR C C 49 178.272 178.272 178.342 -0.070 18098 8348 1 15 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.079 -0.956 18098 8349 1 15 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.140 2.120 18098 8350 1 15 . 1 1 49 49 TYR H H 49 7.941 7.941 7.905 0.036 18098 8351 1 15 . 1 1 50 50 LEU N N 50 120.890 120.890 117.961 2.929 18098 8352 1 15 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.912 0.063 18098 8353 1 15 . 1 1 50 50 LEU C C 50 180.108 180.108 177.990 2.118 18098 8354 1 15 . 1 1 50 50 LEU CA C 50 59.709 59.709 56.745 2.964 18098 8355 1 15 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.349 -0.512 18098 8356 1 15 . 1 1 50 50 LEU H H 50 7.945 7.945 7.593 0.352 18098 8357 1 15 . 1 1 51 51 LYS N N 51 115.335 115.335 116.995 -1.660 18098 8358 1 15 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.026 -0.168 18098 8359 1 15 . 1 1 51 51 LYS C C 51 176.051 176.051 177.366 -1.315 18098 8360 1 15 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.175 0.630 18098 8361 1 15 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.065 -0.558 18098 8362 1 15 . 1 1 51 51 LYS H H 51 8.463 8.463 7.964 0.499 18098 8363 1 15 . 1 1 52 52 LYS N N 52 115.175 115.175 115.123 0.052 18098 8364 1 15 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.369 0.041 18098 8365 1 15 . 1 1 52 52 LYS C C 52 176.777 176.777 176.204 0.573 18098 8366 1 15 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.606 -0.521 18098 8367 1 15 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.668 -0.552 18098 8368 1 15 . 1 1 52 52 LYS H H 52 7.232 7.232 7.635 -0.403 18098 8369 1 15 . 1 1 53 53 MET N N 53 120.127 120.127 121.629 -1.502 18098 8370 1 15 . 1 1 53 53 MET HA H 53 4.485 4.485 4.309 0.176 18098 8371 1 15 . 1 1 53 53 MET C C 53 176.179 176.179 174.922 1.257 18098 8372 1 15 . 1 1 53 53 MET CA C 53 57.091 57.091 56.022 1.069 18098 8373 1 15 . 1 1 53 53 MET CB C 53 34.125 34.125 34.265 -0.140 18098 8374 1 15 . 1 1 53 53 MET H H 53 7.175 7.175 7.480 -0.305 18098 8375 1 15 . 1 1 54 54 ASN N N 54 120.819 120.819 125.833 -5.014 18098 8376 1 15 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.972 -0.207 18098 8377 1 15 . 1 1 54 54 ASN C C 54 175.154 175.154 176.011 -0.857 18098 8378 1 15 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.771 -1.830 18098 8379 1 15 . 1 1 54 54 ASN CB C 54 38.535 38.535 40.477 -1.942 18098 8380 1 15 . 1 1 54 54 ASN H H 54 9.045 9.045 8.859 0.186 18098 8381 1 15 . 1 1 55 55 GLU N N 55 116.971 116.971 121.504 -4.533 18098 8382 1 15 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.960 -0.136 18098 8383 1 15 . 1 1 55 55 GLU C C 55 178.122 178.122 178.270 -0.148 18098 8384 1 15 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.583 0.669 18098 8385 1 15 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.487 0.182 18098 8386 1 15 . 1 1 55 55 GLU H H 55 8.891 8.891 8.952 -0.061 18098 8387 1 15 . 1 1 56 56 GLU N N 56 119.652 119.652 117.832 1.820 18098 8388 1 15 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.042 0.095 18098 8389 1 15 . 1 1 56 56 GLU C C 56 179.937 179.937 179.112 0.825 18098 8390 1 15 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.250 0.566 18098 8391 1 15 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.816 0.266 18098 8392 1 15 . 1 1 56 56 GLU H H 56 8.366 8.366 8.920 -0.554 18098 8393 1 15 . 1 1 57 57 GLU N N 57 122.119 122.119 119.892 2.227 18098 8394 1 15 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.259 0.006 18098 8395 1 15 . 1 1 57 57 GLU C C 57 179.332 179.332 179.287 0.045 18098 8396 1 15 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.265 0.894 18098 8397 1 15 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.567 -0.267 18098 8398 1 15 . 1 1 57 57 GLU H H 57 8.491 8.491 7.700 0.791 18098 8399 1 15 . 1 1 58 58 LEU N N 58 119.424 119.424 120.248 -0.824 18098 8400 1 15 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.196 -0.060 18098 8401 1 15 . 1 1 58 58 LEU C C 58 179.218 179.218 179.408 -0.190 18098 8402 1 15 . 1 1 58 58 LEU CA C 58 57.685 57.685 57.769 -0.084 18098 8403 1 15 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.590 0.259 18098 8404 1 15 . 1 1 58 58 LEU H H 58 8.693 8.693 8.090 0.603 18098 8405 1 15 . 1 1 59 59 GLU N N 59 118.813 118.813 118.623 0.190 18098 8406 1 15 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.065 0.235 18098 8407 1 15 . 1 1 59 59 GLU C C 59 179.361 179.361 179.164 0.197 18098 8408 1 15 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.471 -0.432 18098 8409 1 15 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.808 0.297 18098 8410 1 15 . 1 1 59 59 GLU H H 59 8.009 8.009 8.348 -0.339 18098 8411 1 15 . 1 1 60 60 GLU N N 60 121.472 121.472 120.323 1.149 18098 8412 1 15 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.157 0.099 18098 8413 1 15 . 1 1 60 60 GLU C C 60 178.451 178.451 178.913 -0.462 18098 8414 1 15 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.831 0.818 18098 8415 1 15 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.797 -0.033 18098 8416 1 15 . 1 1 60 60 GLU H H 60 7.867 7.867 7.906 -0.039 18098 8417 1 15 . 1 1 61 61 TYR N N 61 121.955 121.955 120.039 1.916 18098 8418 1 15 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.330 -0.196 18098 8419 1 15 . 1 1 61 61 TYR C C 61 176.278 176.278 177.532 -1.254 18098 8420 1 15 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.352 0.819 18098 8421 1 15 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.778 -0.588 18098 8422 1 15 . 1 1 61 61 TYR H H 61 8.675 8.675 8.292 0.383 18098 8423 1 15 . 1 1 62 62 ASP N N 62 118.314 118.314 119.222 -0.908 18098 8424 1 15 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.298 -0.035 18098 8425 1 15 . 1 1 62 62 ASP C C 62 178.464 178.464 178.527 -0.063 18098 8426 1 15 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.620 -0.875 18098 8427 1 15 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.796 0.749 18098 8428 1 15 . 1 1 62 62 ASP H H 62 8.481 8.481 8.163 0.318 18098 8429 1 15 . 1 1 63 63 SER N N 63 111.380 111.380 115.385 -4.005 18098 8430 1 15 . 1 1 63 63 SER HA H 63 4.361 4.361 4.227 0.134 18098 8431 1 15 . 1 1 63 63 SER C C 63 178.763 178.763 176.304 2.459 18098 8432 1 15 . 1 1 63 63 SER CA C 63 61.824 61.824 61.966 -0.142 18098 8433 1 15 . 1 1 63 63 SER CB C 63 62.830 62.830 63.331 -0.501 18098 8434 1 15 . 1 1 63 63 SER H H 63 7.779 7.779 7.804 -0.025 18098 8435 1 15 . 1 1 64 64 LEU N N 64 127.444 127.444 121.867 5.577 18098 8436 1 15 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.261 -0.205 18098 8437 1 15 . 1 1 64 64 LEU C C 64 177.688 177.688 178.327 -0.639 18098 8438 1 15 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.510 0.541 18098 8439 1 15 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.864 -1.689 18098 8440 1 15 . 1 1 64 64 LEU H H 64 8.616 8.616 7.482 1.134 18098 8441 1 15 . 1 1 65 65 LEU N N 65 114.503 114.503 119.357 -4.854 18098 8442 1 15 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.802 -0.034 18098 8443 1 15 . 1 1 65 65 LEU C C 65 178.506 178.506 178.809 -0.303 18098 8444 1 15 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.600 -1.235 18098 8445 1 15 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.853 -0.390 18098 8446 1 15 . 1 1 65 65 LEU H H 65 7.700 7.700 7.467 0.233 18098 8447 1 15 . 1 1 66 66 ASN N N 66 116.208 116.208 116.066 0.142 18098 8448 1 15 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.564 0.175 18098 8449 1 15 . 1 1 66 66 ASN C C 66 176.008 176.008 175.823 0.185 18098 8450 1 15 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.419 -0.533 18098 8451 1 15 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.820 0.439 18098 8452 1 15 . 1 1 66 66 ASN H H 66 7.533 7.533 7.745 -0.212 18098 8453 1 15 . 1 1 67 67 GLU N N 67 120.300 120.300 120.270 0.030 18098 8454 1 15 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.517 -0.028 18098 8455 1 15 . 1 1 67 67 GLU C C 67 175.410 175.410 175.835 -0.425 18098 8456 1 15 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.568 -0.602 18098 8457 1 15 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.610 -2.190 18098 8458 1 15 . 1 1 67 67 GLU H H 67 7.948 7.948 7.523 0.425 18098 8459 1 15 . 1 1 68 68 LEU N N 68 120.037 120.037 120.990 -0.953 18098 8460 1 15 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.431 -0.301 18098 8461 1 15 . 1 1 68 68 LEU C C 68 178.720 178.720 177.573 1.147 18098 8462 1 15 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.214 0.492 18098 8463 1 15 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.509 -1.001 18098 8464 1 15 . 1 1 68 68 LEU H H 68 9.451 9.451 8.364 1.087 18098 8465 1 15 . 1 1 69 69 ASP N N 69 120.774 120.774 124.067 -3.293 18098 8466 1 15 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.100 0.077 18098 8467 1 15 . 1 1 69 69 ASP C C 69 179.446 179.446 178.010 1.436 18098 8468 1 15 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.245 1.392 18098 8469 1 15 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.898 0.956 18098 8470 1 15 . 1 1 69 69 ASP H H 69 8.445 8.445 8.667 -0.222 18098 8471 1 15 . 1 1 70 70 TRP N N 70 117.865 117.865 120.156 -2.291 18098 8472 1 15 . 1 1 70 70 TRP HA H 70 4.118 4.118 3.953 0.165 18098 8473 1 15 . 1 1 70 70 TRP C C 70 176.983 176.983 178.062 -1.079 18098 8474 1 15 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.256 -0.153 18098 8475 1 15 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.149 -0.758 18098 8476 1 15 . 1 1 70 70 TRP H H 70 8.809 8.809 7.818 0.991 18098 8477 1 15 . 1 1 71 71 ASP N N 71 116.993 116.993 118.230 -1.237 18098 8478 1 15 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.937 -0.075 18098 8479 1 15 . 1 1 71 71 ASP C C 71 175.218 175.218 177.758 -2.540 18098 8480 1 15 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.645 -0.192 18098 8481 1 15 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.765 -1.042 18098 8482 1 15 . 1 1 71 71 ASP H H 71 6.134 6.134 7.496 -1.362 18098 8483 1 15 . 1 1 72 72 ILE N N 72 115.361 115.361 120.019 -4.658 18098 8484 1 15 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.360 -0.488 18098 8485 1 15 . 1 1 72 72 ILE C C 72 177.097 177.097 177.550 -0.453 18098 8486 1 15 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.958 1.161 18098 8487 1 15 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.700 0.579 18098 8488 1 15 . 1 1 72 72 ILE H H 72 7.302 7.302 7.619 -0.317 18098 8489 1 15 . 1 1 73 73 TYR N N 73 116.121 116.121 120.113 -3.992 18098 8490 1 15 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.929 -0.188 18098 8491 1 15 . 1 1 73 73 TYR C C 73 178.827 178.827 177.586 1.241 18098 8492 1 15 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.691 0.459 18098 8493 1 15 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.228 -0.056 18098 8494 1 15 . 1 1 73 73 TYR H H 73 7.327 7.327 7.573 -0.246 18098 8495 1 15 . 1 1 74 74 TYR N N 74 121.029 121.029 118.326 2.703 18098 8496 1 15 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.166 0.110 18098 8497 1 15 . 1 1 74 74 TYR C C 74 178.165 178.165 177.546 0.619 18098 8498 1 15 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.855 0.422 18098 8499 1 15 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.385 -1.601 18098 8500 1 15 . 1 1 74 74 TYR H H 74 8.922 8.922 7.552 1.370 18098 8501 1 15 . 1 1 75 75 TRP N N 75 121.118 121.118 118.517 2.601 18098 8502 1 15 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.126 0.629 18098 8503 1 15 . 1 1 75 75 TRP C C 75 180.599 180.599 177.579 3.020 18098 8504 1 15 . 1 1 75 75 TRP CA C 75 57.770 57.770 57.969 -0.199 18098 8505 1 15 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.095 0.316 18098 8506 1 15 . 1 1 75 75 TRP H H 75 9.201 9.201 7.601 1.600 18098 8507 1 15 . 1 1 76 76 ALA N N 76 122.129 122.129 120.358 1.771 18098 8508 1 15 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.256 -0.300 18098 8509 1 15 . 1 1 76 76 ALA C C 76 177.546 177.546 177.686 -0.140 18098 8510 1 15 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.561 1.639 18098 8511 1 15 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.497 -0.272 18098 8512 1 15 . 1 1 76 76 ALA H H 76 8.761 8.761 7.562 1.199 18098 8513 1 15 . 1 1 77 77 THR N N 77 102.584 102.584 109.909 -7.325 18098 8514 1 15 . 1 1 77 77 THR HA H 77 4.192 4.192 4.276 -0.084 18098 8515 1 15 . 1 1 77 77 THR C C 77 173.425 173.425 174.862 -1.437 18098 8516 1 15 . 1 1 77 77 THR CA C 77 60.767 60.767 59.420 1.347 18098 8517 1 15 . 1 1 77 77 THR CB C 77 69.573 69.573 70.285 -0.712 18098 8518 1 15 . 1 1 77 77 THR H H 77 7.411 7.411 7.520 -0.109 18098 8519 1 15 . 1 1 78 78 LYS N N 78 116.069 116.069 122.414 -6.345 18098 8520 1 15 . 1 1 78 78 LYS HA H 78 2.830 2.830 4.411 -1.581 18098 8521 1 15 . 1 1 78 78 LYS C C 78 174.514 174.514 175.344 -0.830 18098 8522 1 15 . 1 1 78 78 LYS CA C 78 57.242 57.242 55.629 1.613 18098 8523 1 15 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.263 -1.930 18098 8524 1 15 . 1 1 78 78 LYS H H 78 7.420 7.420 8.528 -1.108 18098 8525 1 15 . 1 1 79 79 ASN N N 79 120.318 120.318 118.915 1.403 18098 8526 1 15 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.834 -0.037 18098 8527 1 15 . 1 1 79 79 ASN C C 79 175.581 175.581 175.041 0.540 18098 8528 1 15 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.272 -1.677 18098 8529 1 15 . 1 1 79 79 ASN CB C 79 36.999 36.999 38.990 -1.991 18098 8530 1 15 . 1 1 79 79 ASN H H 79 8.828 8.828 7.595 1.233 18098 8531 1 15 . 1 1 80 80 PHE N N 80 120.545 120.545 121.377 -0.832 18098 8532 1 15 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.705 0.164 18098 8533 1 15 . 1 1 80 80 PHE C C 80 177.311 177.311 177.342 -0.031 18098 8534 1 15 . 1 1 80 80 PHE CA C 80 56.745 56.745 61.333 -4.588 18098 8535 1 15 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.952 -0.741 18098 8536 1 15 . 1 1 80 80 PHE H H 80 7.581 7.581 8.388 -0.807 18098 8537 1 15 . 1 1 81 81 LYS N N 81 118.568 118.568 118.474 0.094 18098 8538 1 15 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.259 -0.198 18098 8539 1 15 . 1 1 81 81 LYS C C 81 177.845 177.845 177.242 0.603 18098 8540 1 15 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.646 -0.138 18098 8541 1 15 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.625 0.466 18098 8542 1 15 . 1 1 81 81 LYS H H 81 7.999 7.999 8.541 -0.542 18098 8543 1 15 . 1 1 82 82 THR N N 82 111.828 111.828 115.080 -3.252 18098 8544 1 15 . 1 1 82 82 THR HA H 82 4.098 4.098 4.063 0.035 18098 8545 1 15 . 1 1 82 82 THR C C 82 174.556 174.556 175.344 -0.788 18098 8546 1 15 . 1 1 82 82 THR CA C 82 63.796 63.796 63.990 -0.194 18098 8547 1 15 . 1 1 82 82 THR CB C 82 68.509 68.509 69.073 -0.564 18098 8548 1 15 . 1 1 82 82 THR H H 82 7.419 7.419 7.415 0.004 18098 8549 1 15 . 1 1 83 83 SER N N 83 115.546 115.546 117.450 -1.904 18098 8550 1 15 . 1 1 83 83 SER HA H 83 5.000 5.000 5.068 -0.068 18098 8551 1 15 . 1 1 83 83 SER C C 83 170.371 170.371 172.588 -2.217 18098 8552 1 15 . 1 1 83 83 SER CA C 83 54.673 54.673 56.204 -1.531 18098 8553 1 15 . 1 1 83 83 SER CB C 83 63.763 63.763 64.737 -0.974 18098 8554 1 15 . 1 1 83 83 SER H H 83 7.312 7.312 7.675 -0.363 18098 8555 1 15 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.775 -0.220 18098 8556 1 15 . 1 1 84 84 PRO C C 84 176.855 176.855 177.301 -0.446 18098 8557 1 15 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.831 -0.291 18098 8558 1 15 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.317 -0.234 18098 8559 1 15 . 1 1 85 85 LEU N N 85 125.147 125.147 125.450 -0.303 18098 8560 1 15 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.127 -0.314 18098 8561 1 15 . 1 1 85 85 LEU C C 85 175.168 175.168 175.421 -0.253 18098 8562 1 15 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.762 -0.425 18098 8563 1 15 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.476 0.884 18098 8564 1 15 . 1 1 85 85 LEU H H 85 8.171 8.171 8.585 -0.414 18098 8565 1 15 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.691 -0.183 18098 8566 1 15 . 1 1 86 86 PRO C C 86 177.111 177.111 176.670 0.441 18098 8567 1 15 . 1 1 86 86 PRO CA C 86 62.261 62.261 61.796 0.465 18098 8568 1 15 . 1 1 86 86 PRO CB C 86 32.775 32.775 33.042 -0.267 18098 8569 1 15 . 1 1 87 87 ASP N N 87 123.224 123.224 120.960 2.264 18098 8570 1 15 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.202 -0.047 18098 8571 1 15 . 1 1 87 87 ASP C C 87 178.392 178.392 177.796 0.596 18098 8572 1 15 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.907 -0.408 18098 8573 1 15 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.544 -0.424 18098 8574 1 15 . 1 1 87 87 ASP H H 87 8.649 8.649 8.596 0.053 18098 8575 1 15 . 1 1 88 88 LYS N N 88 115.960 115.960 116.591 -0.631 18098 8576 1 15 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.844 -0.013 18098 8577 1 15 . 1 1 88 88 LYS C C 88 176.585 176.585 176.486 0.099 18098 8578 1 15 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.262 -0.003 18098 8579 1 15 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.485 0.249 18098 8580 1 15 . 1 1 88 88 LYS H H 88 8.344 8.344 8.274 0.070 18098 8581 1 15 . 1 1 89 89 TRP N N 89 116.821 116.821 117.435 -0.614 18098 8582 1 15 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.728 0.086 18098 8583 1 15 . 1 1 89 89 TRP C C 89 176.329 176.329 178.626 -2.297 18098 8584 1 15 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.976 -0.829 18098 8585 1 15 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.704 0.798 18098 8586 1 15 . 1 1 89 89 TRP H H 89 7.145 7.145 7.176 -0.031 18098 8587 1 15 . 1 1 90 90 ALA N N 90 122.680 122.680 124.023 -1.343 18098 8588 1 15 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.971 -0.105 18098 8589 1 15 . 1 1 90 90 ALA C C 90 177.965 177.965 177.573 0.392 18098 8590 1 15 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.905 -0.194 18098 8591 1 15 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.452 -0.073 18098 8592 1 15 . 1 1 90 90 ALA H H 90 7.456 7.456 7.731 -0.275 18098 8593 1 15 . 1 1 91 91 ASN N N 91 114.054 114.054 113.273 0.781 18098 8594 1 15 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.767 0.048 18098 8595 1 15 . 1 1 91 91 ASN C C 91 174.727 174.727 175.813 -1.086 18098 8596 1 15 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.404 -0.015 18098 8597 1 15 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.162 -0.455 18098 8598 1 15 . 1 1 91 91 ASN H H 91 8.318 8.318 7.666 0.652 18098 8599 1 15 . 1 1 92 92 SER N N 92 113.359 113.359 116.658 -3.299 18098 8600 1 15 . 1 1 92 92 SER HA H 92 4.649 4.649 4.516 0.133 18098 8601 1 15 . 1 1 92 92 SER C C 92 177.033 177.033 175.366 1.667 18098 8602 1 15 . 1 1 92 92 SER CA C 92 57.599 57.599 59.521 -1.922 18098 8603 1 15 . 1 1 92 92 SER CB C 92 64.454 64.454 64.392 0.062 18098 8604 1 15 . 1 1 92 92 SER H H 92 7.255 7.255 7.659 -0.404 18098 8605 1 15 . 1 1 93 93 LYS N N 93 133.672 133.672 126.207 7.465 18098 8606 1 15 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.167 -0.037 18098 8607 1 15 . 1 1 93 93 LYS C C 93 178.763 178.763 179.050 -0.287 18098 8608 1 15 . 1 1 93 93 LYS CA C 93 59.129 59.129 58.783 0.346 18098 8609 1 15 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.367 -0.284 18098 8610 1 15 . 1 1 93 93 LYS H H 93 9.608 9.608 8.578 1.030 18098 8611 1 15 . 1 1 94 94 LEU N N 94 122.086 122.086 121.062 1.024 18098 8612 1 15 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.179 0.172 18098 8613 1 15 . 1 1 94 94 LEU C C 94 178.663 178.663 178.251 0.412 18098 8614 1 15 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.454 -1.218 18098 8615 1 15 . 1 1 94 94 LEU CB C 94 41.161 41.161 42.019 -0.858 18098 8616 1 15 . 1 1 94 94 LEU H H 94 8.000 8.000 8.424 -0.424 18098 8617 1 15 . 1 1 95 95 LEU N N 95 118.720 118.720 117.945 0.775 18098 8618 1 15 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.922 0.003 18098 8619 1 15 . 1 1 95 95 LEU C C 95 178.530 178.530 178.265 0.265 18098 8620 1 15 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.327 -0.946 18098 8621 1 15 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.681 -0.757 18098 8622 1 15 . 1 1 95 95 LEU H H 95 7.997 7.997 8.430 -0.433 18098 8623 1 15 . 1 1 96 96 LYS N N 96 117.880 117.880 117.580 0.300 18098 8624 1 15 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.039 0.217 18098 8625 1 15 . 1 1 96 96 LYS C C 96 179.147 179.147 179.321 -0.174 18098 8626 1 15 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.582 -0.120 18098 8627 1 15 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.011 -0.091 18098 8628 1 15 . 1 1 96 96 LYS H H 96 7.341 7.341 7.701 -0.360 18098 8629 1 15 . 1 1 97 97 GLN N N 97 119.660 119.660 118.719 0.941 18098 8630 1 15 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.278 -0.084 18098 8631 1 15 . 1 1 97 97 GLN C C 97 179.040 179.040 178.697 0.343 18098 8632 1 15 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.420 0.662 18098 8633 1 15 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.422 0.625 18098 8634 1 15 . 1 1 97 97 GLN H H 97 8.007 8.007 7.973 0.034 18098 8635 1 15 . 1 1 98 98 LEU N N 98 122.983 122.983 121.219 1.764 18098 8636 1 15 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.771 0.080 18098 8637 1 15 . 1 1 98 98 LEU C C 98 178.841 178.841 178.829 0.012 18098 8638 1 15 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.441 0.640 18098 8639 1 15 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.353 0.543 18098 8640 1 15 . 1 1 98 98 LEU H H 98 8.425 8.425 8.108 0.317 18098 8641 1 15 . 1 1 99 99 GLN N N 99 119.099 119.099 119.068 0.031 18098 8642 1 15 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.273 0.367 18098 8643 1 15 . 1 1 99 99 GLN C C 99 179.660 179.660 178.847 0.813 18098 8644 1 15 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.279 -1.462 18098 8645 1 15 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.908 -1.491 18098 8646 1 15 . 1 1 99 99 GLN H H 99 8.594 8.594 8.374 0.220 18098 8647 1 15 . 1 1 100 100 GLU N N 100 120.803 120.803 118.370 2.433 18098 8648 1 15 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.203 -0.092 18098 8649 1 15 . 1 1 100 100 GLU C C 100 178.870 178.870 178.617 0.253 18098 8650 1 15 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.653 0.796 18098 8651 1 15 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.750 -0.370 18098 8652 1 15 . 1 1 100 100 GLU H H 100 8.353 8.353 7.764 0.589 18098 8653 1 15 . 1 1 101 101 PHE N N 101 120.752 120.752 120.397 0.355 18098 8654 1 15 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.457 0.016 18098 8655 1 15 . 1 1 101 101 PHE C C 101 177.289 177.289 177.457 -0.168 18098 8656 1 15 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.555 0.562 18098 8657 1 15 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.946 -0.243 18098 8658 1 15 . 1 1 101 101 PHE H H 101 8.544 8.544 8.132 0.412 18098 8659 1 15 . 1 1 102 102 SER N N 102 112.889 112.889 115.592 -2.703 18098 8660 1 15 . 1 1 102 102 SER HA H 102 3.821 3.821 4.056 -0.235 18098 8661 1 15 . 1 1 102 102 SER C C 102 176.414 176.414 177.084 -0.670 18098 8662 1 15 . 1 1 102 102 SER CA C 102 61.123 61.123 61.671 -0.548 18098 8663 1 15 . 1 1 102 102 SER CB C 102 63.193 63.193 62.961 0.232 18098 8664 1 15 . 1 1 102 102 SER H H 102 8.314 8.314 8.163 0.151 18098 8665 1 15 . 1 1 103 103 GLU N N 103 118.066 118.066 119.949 -1.883 18098 8666 1 15 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.162 -0.048 18098 8667 1 15 . 1 1 103 103 GLU C C 103 177.375 177.375 177.361 0.014 18098 8668 1 15 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.505 -0.704 18098 8669 1 15 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.839 0.187 18098 8670 1 15 . 1 1 103 103 GLU H H 103 7.809 7.809 7.901 -0.092 18098 8671 1 15 . 1 1 104 104 ASN N N 104 117.241 117.241 114.607 2.634 18098 8672 1 15 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.901 -0.254 18098 8673 1 15 . 1 1 104 104 ASN C C 104 175.752 175.752 175.114 0.638 18098 8674 1 15 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.720 1.019 18098 8675 1 15 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.457 -0.835 18098 8676 1 15 . 1 1 104 104 ASN H H 104 7.917 7.917 7.527 0.390 18098 8677 1 15 . 1 1 105 105 LYS N N 105 121.903 121.903 122.579 -0.676 18098 8678 1 15 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.460 0.608 18098 8679 1 15 . 1 1 105 105 LYS C C 105 177.311 177.311 177.044 0.267 18098 8680 1 15 . 1 1 105 105 LYS CA C 105 57.374 57.374 59.264 -1.891 18098 8681 1 15 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.148 -0.111 18098 8682 1 15 . 1 1 105 105 LYS H H 105 8.093 8.093 7.250 0.843 18098 8683 1 15 . 1 1 106 106 GLU N N 106 119.595 119.595 115.920 3.675 18098 8684 1 15 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.472 -0.203 18098 8685 1 15 . 1 1 106 106 GLU C C 106 176.585 176.585 176.190 0.395 18098 8686 1 15 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.629 0.062 18098 8687 1 15 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.175 0.524 18098 8688 1 15 . 1 1 106 106 GLU H H 106 8.200 8.200 8.453 -0.253 18098 8689 1 15 . 1 1 107 107 LYS N N 107 120.538 120.538 119.224 1.314 18098 8690 1 15 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.422 -0.155 18098 8691 1 15 . 1 1 107 107 LYS C C 107 176.435 176.435 175.448 0.987 18098 8692 1 15 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.709 0.743 18098 8693 1 15 . 1 1 107 107 LYS CB C 107 33.110 33.110 32.739 0.371 18098 8694 1 15 . 1 1 107 107 LYS H H 107 7.838 7.838 7.399 0.439 18098 8695 1 15 . 1 1 108 108 GLU N N 108 122.869 122.869 120.149 2.720 18098 8696 1 15 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.242 0.075 18098 8697 1 15 . 1 1 108 108 GLU C C 108 175.403 175.403 175.637 -0.234 18098 8698 1 15 . 1 1 108 108 GLU CA C 108 56.565 56.565 56.516 0.049 18098 8699 1 15 . 1 1 108 108 GLU CB C 108 30.057 30.057 29.822 0.235 18098 8700 1 15 . 1 1 108 108 GLU H H 108 8.313 8.313 8.012 0.301 18098 8701 1 16 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.630 0.012 18098 8702 1 16 . 1 1 10 10 HIS C C 10 174.891 174.891 174.599 0.292 18098 8703 1 16 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.212 0.818 18098 8704 1 16 . 1 1 10 10 HIS CB C 10 30.113 30.113 28.047 2.066 18098 8705 1 16 . 1 1 11 11 MET N N 11 121.211 121.211 123.847 -2.636 18098 8706 1 16 . 1 1 11 11 MET HA H 11 4.417 4.417 4.498 -0.081 18098 8707 1 16 . 1 1 11 11 MET C C 11 175.709 175.709 174.994 0.715 18098 8708 1 16 . 1 1 11 11 MET CA C 11 55.405 55.405 54.429 0.976 18098 8709 1 16 . 1 1 11 11 MET CB C 11 32.776 32.776 31.250 1.526 18098 8710 1 16 . 1 1 11 11 MET H H 11 8.179 8.179 7.787 0.392 18098 8711 1 16 . 1 1 12 12 ILE N N 12 122.511 122.511 125.066 -2.555 18098 8712 1 16 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.409 -0.286 18098 8713 1 16 . 1 1 12 12 ILE C C 12 175.809 175.809 175.150 0.659 18098 8714 1 16 . 1 1 12 12 ILE CA C 12 60.802 60.802 59.535 1.267 18098 8715 1 16 . 1 1 12 12 ILE CB C 12 38.531 38.531 39.411 -0.880 18098 8716 1 16 . 1 1 12 12 ILE H H 12 8.088 8.088 8.014 0.074 18098 8717 1 16 . 1 1 13 13 LYS N N 13 126.072 126.072 129.643 -3.571 18098 8718 1 16 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.186 0.142 18098 8719 1 16 . 1 1 13 13 LYS C C 13 176.108 176.108 175.951 0.157 18098 8720 1 16 . 1 1 13 13 LYS CA C 13 56.053 56.053 57.025 -0.972 18098 8721 1 16 . 1 1 13 13 LYS CB C 13 32.915 32.915 31.265 1.650 18098 8722 1 16 . 1 1 13 13 LYS H H 13 8.381 8.381 8.654 -0.273 18098 8723 1 16 . 1 1 14 14 ARG N N 14 123.714 123.714 125.708 -1.994 18098 8724 1 16 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.595 -0.151 18098 8725 1 16 . 1 1 14 14 ARG C C 14 176.428 176.428 176.402 0.026 18098 8726 1 16 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.888 -0.146 18098 8727 1 16 . 1 1 14 14 ARG CB C 14 30.781 30.781 31.815 -1.034 18098 8728 1 16 . 1 1 14 14 ARG H H 14 8.484 8.484 8.053 0.431 18098 8729 1 16 . 1 1 15 15 THR N N 15 115.338 115.338 115.773 -0.435 18098 8730 1 16 . 1 1 15 15 THR HA H 15 4.367 4.367 4.300 0.067 18098 8731 1 16 . 1 1 15 15 THR C C 15 174.172 174.172 174.431 -0.259 18098 8732 1 16 . 1 1 15 15 THR CA C 15 61.501 61.501 61.672 -0.171 18098 8733 1 16 . 1 1 15 15 THR CB C 15 69.868 69.868 69.118 0.750 18098 8734 1 16 . 1 1 15 15 THR H H 15 8.279 8.279 8.431 -0.152 18098 8735 1 16 . 1 1 16 16 ASN N N 16 120.727 120.727 119.523 1.204 18098 8736 1 16 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.624 0.054 18098 8737 1 16 . 1 1 16 16 ASN C C 16 174.482 174.482 174.636 -0.154 18098 8738 1 16 . 1 1 16 16 ASN CA C 16 53.072 53.072 52.680 0.392 18098 8739 1 16 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.806 -0.425 18098 8740 1 16 . 1 1 16 16 ASN H H 16 8.612 8.612 7.600 1.012 18098 8741 1 16 . 1 1 17 17 GLU N N 17 123.790 123.790 118.573 5.217 18098 8742 1 16 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.169 0.432 18098 8743 1 16 . 1 1 17 17 GLU C C 17 173.823 173.823 174.485 -0.662 18098 8744 1 16 . 1 1 17 17 GLU CA C 17 53.965 53.965 56.199 -2.234 18098 8745 1 16 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.050 2.713 18098 8746 1 16 . 1 1 17 17 GLU H H 17 8.113 8.113 8.743 -0.630 18098 8747 1 16 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.439 0.076 18098 8748 1 16 . 1 1 18 18 PRO C C 18 177.709 177.709 177.195 0.514 18098 8749 1 16 . 1 1 18 18 PRO CA C 18 62.765 62.765 61.927 0.838 18098 8750 1 16 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.401 0.080 18098 8751 1 16 . 1 1 19 19 LEU N N 19 123.760 123.760 121.378 2.382 18098 8752 1 16 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.092 -0.086 18098 8753 1 16 . 1 1 19 19 LEU C C 19 178.307 178.307 178.841 -0.534 18098 8754 1 16 . 1 1 19 19 LEU CA C 19 58.463 58.463 58.424 0.039 18098 8755 1 16 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.150 0.648 18098 8756 1 16 . 1 1 19 19 LEU H H 19 8.720 8.720 8.481 0.239 18098 8757 1 16 . 1 1 20 20 ASP N N 20 115.650 115.650 120.076 -4.426 18098 8758 1 16 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.427 -0.066 18098 8759 1 16 . 1 1 20 20 ASP C C 20 179.531 179.531 178.301 1.230 18098 8760 1 16 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.486 -0.399 18098 8761 1 16 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.514 -1.193 18098 8762 1 16 . 1 1 20 20 ASP H H 20 8.829 8.829 8.518 0.311 18098 8763 1 16 . 1 1 21 21 LYS N N 21 121.462 121.462 118.234 3.228 18098 8764 1 16 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.082 0.050 18098 8765 1 16 . 1 1 21 21 LYS C C 21 178.421 178.421 178.776 -0.355 18098 8766 1 16 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.830 -0.546 18098 8767 1 16 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.303 -0.323 18098 8768 1 16 . 1 1 21 21 LYS H H 21 7.352 7.352 8.284 -0.932 18098 8769 1 16 . 1 1 22 22 LYS N N 22 123.296 123.296 121.313 1.983 18098 8770 1 16 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.248 -0.258 18098 8771 1 16 . 1 1 22 22 LYS C C 22 178.179 178.179 178.815 -0.636 18098 8772 1 16 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.496 0.358 18098 8773 1 16 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.347 0.440 18098 8774 1 16 . 1 1 22 22 LYS H H 22 8.407 8.407 8.050 0.357 18098 8775 1 16 . 1 1 23 23 ARG N N 23 116.950 116.950 118.346 -1.396 18098 8776 1 16 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.909 -0.175 18098 8777 1 16 . 1 1 23 23 ARG C C 23 177.460 177.460 178.504 -1.044 18098 8778 1 16 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.695 0.810 18098 8779 1 16 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.013 0.254 18098 8780 1 16 . 1 1 23 23 ARG H H 23 8.594 8.594 7.996 0.598 18098 8781 1 16 . 1 1 24 24 ALA N N 24 118.391 118.391 121.308 -2.917 18098 8782 1 16 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.109 -0.065 18098 8783 1 16 . 1 1 24 24 ALA C C 24 180.514 180.514 179.632 0.882 18098 8784 1 16 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.149 -0.080 18098 8785 1 16 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.170 -0.236 18098 8786 1 16 . 1 1 24 24 ALA H H 24 7.505 7.505 7.978 -0.473 18098 8787 1 16 . 1 1 25 25 ARG N N 25 120.413 120.413 119.026 1.387 18098 8788 1 16 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.104 0.103 18098 8789 1 16 . 1 1 25 25 ARG C C 25 178.058 178.058 178.765 -0.707 18098 8790 1 16 . 1 1 25 25 ARG CA C 25 59.393 59.393 58.829 0.564 18098 8791 1 16 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.161 -0.549 18098 8792 1 16 . 1 1 25 25 ARG H H 25 8.291 8.291 7.946 0.345 18098 8793 1 16 . 1 1 26 26 LEU N N 26 119.205 119.205 119.571 -0.366 18098 8794 1 16 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.265 -0.120 18098 8795 1 16 . 1 1 26 26 LEU C C 26 180.642 180.642 179.282 1.360 18098 8796 1 16 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.614 0.161 18098 8797 1 16 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.282 -0.582 18098 8798 1 16 . 1 1 26 26 LEU H H 26 8.305 8.305 8.081 0.224 18098 8799 1 16 . 1 1 27 27 ILE N N 27 123.643 123.643 119.118 4.525 18098 8800 1 16 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.829 -0.228 18098 8801 1 16 . 1 1 27 27 ILE C C 27 177.716 177.716 178.628 -0.912 18098 8802 1 16 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.312 0.840 18098 8803 1 16 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.725 0.116 18098 8804 1 16 . 1 1 27 27 ILE H H 27 8.488 8.488 8.226 0.262 18098 8805 1 16 . 1 1 28 28 TYR N N 28 121.443 121.443 120.403 1.040 18098 8806 1 16 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.079 0.136 18098 8807 1 16 . 1 1 28 28 TYR C C 28 178.656 178.656 176.963 1.693 18098 8808 1 16 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.768 -0.325 18098 8809 1 16 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.757 -0.923 18098 8810 1 16 . 1 1 28 28 TYR H H 28 7.832 7.832 7.807 0.025 18098 8811 1 16 . 1 1 29 29 GLN N N 29 115.999 115.999 116.407 -0.408 18098 8812 1 16 . 1 1 29 29 GLN HA H 29 3.861 3.861 4.104 -0.243 18098 8813 1 16 . 1 1 29 29 GLN C C 29 178.537 178.537 178.198 0.339 18098 8814 1 16 . 1 1 29 29 GLN CA C 29 58.197 58.197 57.982 0.215 18098 8815 1 16 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.970 0.318 18098 8816 1 16 . 1 1 29 29 GLN H H 29 8.965 8.965 7.897 1.068 18098 8817 1 16 . 1 1 30 30 SER N N 30 115.599 115.599 115.579 0.020 18098 8818 1 16 . 1 1 30 30 SER HA H 30 4.100 4.100 4.194 -0.094 18098 8819 1 16 . 1 1 30 30 SER C C 30 171.004 171.004 175.574 -4.570 18098 8820 1 16 . 1 1 30 30 SER CA C 30 61.818 61.818 61.381 0.437 18098 8821 1 16 . 1 1 30 30 SER CB C 30 63.196 63.196 63.541 -0.345 18098 8822 1 16 . 1 1 30 30 SER H H 30 7.643 7.643 7.975 -0.332 18098 8823 1 16 . 1 1 31 31 ARG N N 31 114.000 114.000 118.413 -4.413 18098 8824 1 16 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.472 0.154 18098 8825 1 16 . 1 1 31 31 ARG C C 31 176.556 176.556 175.498 1.058 18098 8826 1 16 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.184 -1.174 18098 8827 1 16 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.375 0.284 18098 8828 1 16 . 1 1 31 31 ARG H H 31 6.987 6.987 7.350 -0.363 18098 8829 1 16 . 1 1 32 32 LYS N N 32 120.507 120.507 122.164 -1.657 18098 8830 1 16 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.159 0.346 18098 8831 1 16 . 1 1 32 32 LYS C C 32 176.577 176.577 175.683 0.894 18098 8832 1 16 . 1 1 32 32 LYS CA C 32 54.191 54.191 56.558 -2.367 18098 8833 1 16 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.231 -1.161 18098 8834 1 16 . 1 1 32 32 LYS H H 32 7.245 7.245 7.209 0.036 18098 8835 1 16 . 1 1 33 33 ARG N N 33 119.630 119.630 123.224 -3.594 18098 8836 1 16 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.402 0.073 18098 8837 1 16 . 1 1 33 33 ARG C C 33 177.289 177.289 175.816 1.473 18098 8838 1 16 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.011 -2.622 18098 8839 1 16 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.388 -5.045 18098 8840 1 16 . 1 1 33 33 ARG H H 33 8.831 8.831 8.218 0.613 18098 8841 1 16 . 1 1 34 34 GLY N N 34 107.776 107.776 109.514 -1.738 18098 8842 1 16 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.946 -0.033 18098 8843 1 16 . 1 1 34 34 GLY H H 34 8.652 8.652 8.518 0.134 18098 8844 1 16 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.214 0.132 18098 8845 1 16 . 1 1 35 35 ILE C C 35 175.624 175.624 175.483 0.141 18098 8846 1 16 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.405 -1.401 18098 8847 1 16 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.975 -1.093 18098 8848 1 16 . 1 1 35 35 ILE H H 35 6.841 6.841 6.978 -0.137 18098 8849 1 16 . 1 1 36 36 LEU N N 36 128.200 128.200 123.836 4.364 18098 8850 1 16 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.098 -0.158 18098 8851 1 16 . 1 1 36 36 LEU C C 36 177.994 177.994 178.051 -0.057 18098 8852 1 16 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.349 0.669 18098 8853 1 16 . 1 1 36 36 LEU CB C 36 41.883 41.883 41.475 0.408 18098 8854 1 16 . 1 1 36 36 LEU H H 36 8.518 8.518 8.567 -0.049 18098 8855 1 16 . 1 1 37 37 GLU N N 37 118.515 118.515 118.433 0.082 18098 8856 1 16 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.894 -0.354 18098 8857 1 16 . 1 1 37 37 GLU C C 37 179.332 179.332 178.716 0.616 18098 8858 1 16 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.489 2.018 18098 8859 1 16 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.596 0.139 18098 8860 1 16 . 1 1 37 37 GLU H H 37 9.964 9.964 8.518 1.446 18098 8861 1 16 . 1 1 38 38 THR N N 38 111.283 111.283 113.335 -2.052 18098 8862 1 16 . 1 1 38 38 THR HA H 38 3.867 3.867 4.083 -0.216 18098 8863 1 16 . 1 1 38 38 THR C C 38 175.061 175.061 176.153 -1.092 18098 8864 1 16 . 1 1 38 38 THR CA C 38 65.735 65.735 65.870 -0.135 18098 8865 1 16 . 1 1 38 38 THR CB C 38 67.623 67.623 67.852 -0.229 18098 8866 1 16 . 1 1 38 38 THR H H 38 6.425 6.425 7.660 -1.235 18098 8867 1 16 . 1 1 39 39 ASP N N 39 124.325 124.325 123.637 0.688 18098 8868 1 16 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.339 0.174 18098 8869 1 16 . 1 1 39 39 ASP C C 39 179.225 179.225 178.444 0.781 18098 8870 1 16 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.399 -0.301 18098 8871 1 16 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.746 1.137 18098 8872 1 16 . 1 1 39 39 ASP H H 39 7.997 7.997 7.376 0.621 18098 8873 1 16 . 1 1 40 40 LEU N N 40 118.757 118.757 119.102 -0.345 18098 8874 1 16 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.054 -0.043 18098 8875 1 16 . 1 1 40 40 LEU C C 40 180.528 180.528 178.911 1.617 18098 8876 1 16 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.342 0.750 18098 8877 1 16 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.828 -0.030 18098 8878 1 16 . 1 1 40 40 LEU H H 40 8.623 8.623 8.048 0.575 18098 8879 1 16 . 1 1 41 41 LEU N N 41 119.923 119.923 120.318 -0.395 18098 8880 1 16 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.293 0.100 18098 8881 1 16 . 1 1 41 41 LEU C C 41 177.631 177.631 178.475 -0.844 18098 8882 1 16 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.029 0.328 18098 8883 1 16 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.201 1.138 18098 8884 1 16 . 1 1 41 41 LEU H H 41 7.382 7.382 7.249 0.133 18098 8885 1 16 . 1 1 42 42 LEU N N 42 115.623 115.623 118.077 -2.454 18098 8886 1 16 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.029 0.244 18098 8887 1 16 . 1 1 42 42 LEU C C 42 179.489 179.489 179.274 0.215 18098 8888 1 16 . 1 1 42 42 LEU CA C 42 57.569 57.569 58.155 -0.586 18098 8889 1 16 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.628 -1.144 18098 8890 1 16 . 1 1 42 42 LEU H H 42 8.963 8.963 8.386 0.577 18098 8891 1 16 . 1 1 43 43 SER N N 43 115.349 115.349 114.695 0.654 18098 8892 1 16 . 1 1 43 43 SER HA H 43 4.039 4.039 4.226 -0.187 18098 8893 1 16 . 1 1 43 43 SER C C 43 178.200 178.200 177.070 1.130 18098 8894 1 16 . 1 1 43 43 SER CA C 43 62.665 62.665 61.738 0.927 18098 8895 1 16 . 1 1 43 43 SER CB C 43 62.476 62.476 62.875 -0.399 18098 8896 1 16 . 1 1 43 43 SER H H 43 8.535 8.535 8.386 0.149 18098 8897 1 16 . 1 1 44 44 GLY N N 44 110.034 110.034 109.315 0.719 18098 8898 1 16 . 1 1 44 44 GLY C C 44 175.624 175.624 175.808 -0.184 18098 8899 1 16 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.753 0.391 18098 8900 1 16 . 1 1 44 44 GLY H H 44 7.812 7.812 7.837 -0.025 18098 8901 1 16 . 1 1 45 45 PHE N N 45 125.487 125.487 122.386 3.101 18098 8902 1 16 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.103 -0.165 18098 8903 1 16 . 1 1 45 45 PHE C C 45 177.482 177.482 176.261 1.221 18098 8904 1 16 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.309 0.936 18098 8905 1 16 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.503 1.416 18098 8906 1 16 . 1 1 45 45 PHE H H 45 8.542 8.542 7.605 0.937 18098 8907 1 16 . 1 1 46 46 ALA N N 46 121.034 121.034 120.928 0.106 18098 8908 1 16 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.750 -0.018 18098 8909 1 16 . 1 1 46 46 ALA C C 46 179.916 179.916 178.852 1.064 18098 8910 1 16 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.556 0.152 18098 8911 1 16 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.158 -0.061 18098 8912 1 16 . 1 1 46 46 ALA H H 46 9.262 9.262 8.076 1.186 18098 8913 1 16 . 1 1 47 47 ALA N N 47 117.642 117.642 119.403 -1.761 18098 8914 1 16 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.109 -0.138 18098 8915 1 16 . 1 1 47 47 ALA C C 47 178.250 178.250 178.242 0.008 18098 8916 1 16 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.304 0.079 18098 8917 1 16 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.626 -0.425 18098 8918 1 16 . 1 1 47 47 ALA H H 47 7.481 7.481 7.627 -0.146 18098 8919 1 16 . 1 1 48 48 LYS N N 48 115.388 115.388 116.951 -1.563 18098 8920 1 16 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.122 -0.022 18098 8921 1 16 . 1 1 48 48 LYS C C 48 177.845 177.845 178.469 -0.624 18098 8922 1 16 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.318 -0.558 18098 8923 1 16 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.330 0.456 18098 8924 1 16 . 1 1 48 48 LYS H H 48 7.056 7.056 7.416 -0.360 18098 8925 1 16 . 1 1 49 49 TYR N N 49 112.714 112.714 116.791 -4.077 18098 8926 1 16 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.165 0.131 18098 8927 1 16 . 1 1 49 49 TYR C C 49 178.272 178.272 178.159 0.113 18098 8928 1 16 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.892 -0.769 18098 8929 1 16 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.199 2.061 18098 8930 1 16 . 1 1 49 49 TYR H H 49 7.941 7.941 7.978 -0.037 18098 8931 1 16 . 1 1 50 50 LEU N N 50 120.890 120.890 119.335 1.555 18098 8932 1 16 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.826 0.149 18098 8933 1 16 . 1 1 50 50 LEU C C 50 180.108 180.108 178.611 1.497 18098 8934 1 16 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.986 1.723 18098 8935 1 16 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.197 -0.360 18098 8936 1 16 . 1 1 50 50 LEU H H 50 7.945 7.945 7.743 0.202 18098 8937 1 16 . 1 1 51 51 LYS N N 51 115.335 115.335 116.967 -1.632 18098 8938 1 16 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.988 -0.130 18098 8939 1 16 . 1 1 51 51 LYS C C 51 176.051 176.051 177.845 -1.794 18098 8940 1 16 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.682 0.123 18098 8941 1 16 . 1 1 51 51 LYS CB C 51 31.507 31.507 31.873 -0.366 18098 8942 1 16 . 1 1 51 51 LYS H H 51 8.463 8.463 8.314 0.149 18098 8943 1 16 . 1 1 52 52 LYS N N 52 115.175 115.175 115.229 -0.054 18098 8944 1 16 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.374 0.036 18098 8945 1 16 . 1 1 52 52 LYS C C 52 176.777 176.777 176.358 0.419 18098 8946 1 16 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.423 -0.338 18098 8947 1 16 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.656 -0.540 18098 8948 1 16 . 1 1 52 52 LYS H H 52 7.232 7.232 7.613 -0.381 18098 8949 1 16 . 1 1 53 53 MET N N 53 120.127 120.127 121.240 -1.113 18098 8950 1 16 . 1 1 53 53 MET HA H 53 4.485 4.485 4.359 0.126 18098 8951 1 16 . 1 1 53 53 MET C C 53 176.179 176.179 174.899 1.280 18098 8952 1 16 . 1 1 53 53 MET CA C 53 57.091 57.091 55.849 1.242 18098 8953 1 16 . 1 1 53 53 MET CB C 53 34.125 34.125 33.717 0.408 18098 8954 1 16 . 1 1 53 53 MET H H 53 7.175 7.175 7.410 -0.235 18098 8955 1 16 . 1 1 54 54 ASN N N 54 120.819 120.819 122.865 -2.046 18098 8956 1 16 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.755 0.010 18098 8957 1 16 . 1 1 54 54 ASN C C 54 175.154 175.154 175.887 -0.733 18098 8958 1 16 . 1 1 54 54 ASN CA C 54 50.941 50.941 51.595 -0.654 18098 8959 1 16 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.171 -0.636 18098 8960 1 16 . 1 1 54 54 ASN H H 54 9.045 9.045 8.513 0.532 18098 8961 1 16 . 1 1 55 55 GLU N N 55 116.971 116.971 120.575 -3.604 18098 8962 1 16 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.973 -0.149 18098 8963 1 16 . 1 1 55 55 GLU C C 55 178.122 178.122 178.199 -0.077 18098 8964 1 16 . 1 1 55 55 GLU CA C 55 61.252 61.252 59.751 1.501 18098 8965 1 16 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.565 0.104 18098 8966 1 16 . 1 1 55 55 GLU H H 55 8.891 8.891 8.974 -0.083 18098 8967 1 16 . 1 1 56 56 GLU N N 56 119.652 119.652 118.488 1.164 18098 8968 1 16 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.084 0.053 18098 8969 1 16 . 1 1 56 56 GLU C C 56 179.937 179.937 179.383 0.554 18098 8970 1 16 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.478 0.338 18098 8971 1 16 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.424 -0.342 18098 8972 1 16 . 1 1 56 56 GLU H H 56 8.366 8.366 8.563 -0.197 18098 8973 1 16 . 1 1 57 57 GLU N N 57 122.119 122.119 118.692 3.427 18098 8974 1 16 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.201 0.064 18098 8975 1 16 . 1 1 57 57 GLU C C 57 179.332 179.332 178.823 0.509 18098 8976 1 16 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.678 0.481 18098 8977 1 16 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.985 -0.685 18098 8978 1 16 . 1 1 57 57 GLU H H 57 8.491 8.491 8.299 0.192 18098 8979 1 16 . 1 1 58 58 LEU N N 58 119.424 119.424 120.008 -0.584 18098 8980 1 16 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.192 -0.056 18098 8981 1 16 . 1 1 58 58 LEU C C 58 179.218 179.218 179.420 -0.202 18098 8982 1 16 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.047 -0.362 18098 8983 1 16 . 1 1 58 58 LEU CB C 58 41.850 41.850 42.031 -0.181 18098 8984 1 16 . 1 1 58 58 LEU H H 58 8.693 8.693 8.248 0.445 18098 8985 1 16 . 1 1 59 59 GLU N N 59 118.813 118.813 117.835 0.978 18098 8986 1 16 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.070 0.230 18098 8987 1 16 . 1 1 59 59 GLU C C 59 179.361 179.361 178.718 0.643 18098 8988 1 16 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.267 -0.229 18098 8989 1 16 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.916 0.189 18098 8990 1 16 . 1 1 59 59 GLU H H 59 8.009 8.009 8.522 -0.513 18098 8991 1 16 . 1 1 60 60 GLU N N 60 121.472 121.472 121.291 0.181 18098 8992 1 16 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.194 0.062 18098 8993 1 16 . 1 1 60 60 GLU C C 60 178.451 178.451 178.651 -0.200 18098 8994 1 16 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.594 1.055 18098 8995 1 16 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.585 0.178 18098 8996 1 16 . 1 1 60 60 GLU H H 60 7.867 7.867 7.936 -0.069 18098 8997 1 16 . 1 1 61 61 TYR N N 61 121.955 121.955 120.373 1.582 18098 8998 1 16 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.334 -0.200 18098 8999 1 16 . 1 1 61 61 TYR C C 61 176.278 176.278 177.561 -1.283 18098 9000 1 16 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.129 1.042 18098 9001 1 16 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.755 -0.565 18098 9002 1 16 . 1 1 61 61 TYR H H 61 8.675 8.675 8.512 0.163 18098 9003 1 16 . 1 1 62 62 ASP N N 62 118.314 118.314 118.803 -0.489 18098 9004 1 16 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.299 -0.036 18098 9005 1 16 . 1 1 62 62 ASP C C 62 178.464 178.464 177.813 0.651 18098 9006 1 16 . 1 1 62 62 ASP CA C 62 56.745 56.745 56.794 -0.049 18098 9007 1 16 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.522 1.024 18098 9008 1 16 . 1 1 62 62 ASP H H 62 8.481 8.481 8.282 0.199 18098 9009 1 16 . 1 1 63 63 SER N N 63 111.380 111.380 114.896 -3.516 18098 9010 1 16 . 1 1 63 63 SER HA H 63 4.361 4.361 4.332 0.029 18098 9011 1 16 . 1 1 63 63 SER C C 63 178.763 178.763 176.906 1.857 18098 9012 1 16 . 1 1 63 63 SER CA C 63 61.824 61.824 61.465 0.359 18098 9013 1 16 . 1 1 63 63 SER CB C 63 62.830 62.830 63.500 -0.670 18098 9014 1 16 . 1 1 63 63 SER H H 63 7.779 7.779 7.693 0.086 18098 9015 1 16 . 1 1 64 64 LEU N N 64 127.444 127.444 123.673 3.771 18098 9016 1 16 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.321 -0.265 18098 9017 1 16 . 1 1 64 64 LEU C C 64 177.688 177.688 177.614 0.074 18098 9018 1 16 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.531 0.520 18098 9019 1 16 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.047 -1.872 18098 9020 1 16 . 1 1 64 64 LEU H H 64 8.616 8.616 7.790 0.826 18098 9021 1 16 . 1 1 65 65 LEU N N 65 114.503 114.503 115.424 -0.921 18098 9022 1 16 . 1 1 65 65 LEU HA H 65 3.768 3.768 4.089 -0.321 18098 9023 1 16 . 1 1 65 65 LEU C C 65 178.506 178.506 177.037 1.469 18098 9024 1 16 . 1 1 65 65 LEU CA C 65 56.365 56.365 55.766 0.599 18098 9025 1 16 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.761 -0.298 18098 9026 1 16 . 1 1 65 65 LEU H H 65 7.700 7.700 7.460 0.240 18098 9027 1 16 . 1 1 66 66 ASN N N 66 116.208 116.208 115.462 0.746 18098 9028 1 16 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.869 -0.130 18098 9029 1 16 . 1 1 66 66 ASN C C 66 176.008 176.008 175.145 0.863 18098 9030 1 16 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.273 0.613 18098 9031 1 16 . 1 1 66 66 ASN CB C 66 39.259 39.259 39.510 -0.251 18098 9032 1 16 . 1 1 66 66 ASN H H 66 7.533 7.533 7.679 -0.146 18098 9033 1 16 . 1 1 67 67 GLU N N 67 120.300 120.300 120.634 -0.334 18098 9034 1 16 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.542 -0.053 18098 9035 1 16 . 1 1 67 67 GLU C C 67 175.410 175.410 175.581 -0.171 18098 9036 1 16 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.500 -0.534 18098 9037 1 16 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.841 -2.421 18098 9038 1 16 . 1 1 67 67 GLU H H 67 7.948 7.948 7.527 0.421 18098 9039 1 16 . 1 1 68 68 LEU N N 68 120.037 120.037 120.581 -0.544 18098 9040 1 16 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.616 -0.486 18098 9041 1 16 . 1 1 68 68 LEU C C 68 178.720 178.720 177.581 1.139 18098 9042 1 16 . 1 1 68 68 LEU CA C 68 54.706 54.706 53.409 1.297 18098 9043 1 16 . 1 1 68 68 LEU CB C 68 41.508 41.508 43.688 -2.180 18098 9044 1 16 . 1 1 68 68 LEU H H 68 9.451 9.451 8.341 1.110 18098 9045 1 16 . 1 1 69 69 ASP N N 69 120.774 120.774 123.685 -2.911 18098 9046 1 16 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.064 0.113 18098 9047 1 16 . 1 1 69 69 ASP C C 69 179.446 179.446 177.827 1.619 18098 9048 1 16 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.104 1.533 18098 9049 1 16 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.843 1.011 18098 9050 1 16 . 1 1 69 69 ASP H H 69 8.445 8.445 8.723 -0.278 18098 9051 1 16 . 1 1 70 70 TRP N N 70 117.865 117.865 119.901 -2.036 18098 9052 1 16 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.037 0.081 18098 9053 1 16 . 1 1 70 70 TRP C C 70 176.983 176.983 178.154 -1.171 18098 9054 1 16 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.094 0.009 18098 9055 1 16 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.200 -0.809 18098 9056 1 16 . 1 1 70 70 TRP H H 70 8.809 8.809 7.835 0.974 18098 9057 1 16 . 1 1 71 71 ASP N N 71 116.993 116.993 117.875 -0.882 18098 9058 1 16 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.123 -0.261 18098 9059 1 16 . 1 1 71 71 ASP C C 71 175.218 175.218 177.805 -2.587 18098 9060 1 16 . 1 1 71 71 ASP CA C 71 57.453 57.453 56.968 0.485 18098 9061 1 16 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.775 -1.052 18098 9062 1 16 . 1 1 71 71 ASP H H 71 6.134 6.134 7.499 -1.365 18098 9063 1 16 . 1 1 72 72 ILE N N 72 115.361 115.361 119.919 -4.558 18098 9064 1 16 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.151 -0.279 18098 9065 1 16 . 1 1 72 72 ILE C C 72 177.097 177.097 177.642 -0.545 18098 9066 1 16 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.904 1.214 18098 9067 1 16 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.581 0.698 18098 9068 1 16 . 1 1 72 72 ILE H H 72 7.302 7.302 7.510 -0.208 18098 9069 1 16 . 1 1 73 73 TYR N N 73 116.121 116.121 120.595 -4.474 18098 9070 1 16 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.887 -0.146 18098 9071 1 16 . 1 1 73 73 TYR C C 73 178.827 178.827 177.019 1.808 18098 9072 1 16 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.066 0.084 18098 9073 1 16 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.310 -0.138 18098 9074 1 16 . 1 1 73 73 TYR H H 73 7.327 7.327 7.807 -0.480 18098 9075 1 16 . 1 1 74 74 TYR N N 74 121.029 121.029 118.118 2.911 18098 9076 1 16 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.231 0.045 18098 9077 1 16 . 1 1 74 74 TYR C C 74 178.165 178.165 177.959 0.206 18098 9078 1 16 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.491 -0.214 18098 9079 1 16 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.665 -1.881 18098 9080 1 16 . 1 1 74 74 TYR H H 74 8.922 8.922 7.714 1.208 18098 9081 1 16 . 1 1 75 75 TRP N N 75 121.118 121.118 119.616 1.502 18098 9082 1 16 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.134 0.621 18098 9083 1 16 . 1 1 75 75 TRP C C 75 180.599 180.599 178.658 1.941 18098 9084 1 16 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.866 -1.096 18098 9085 1 16 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.939 0.472 18098 9086 1 16 . 1 1 75 75 TRP H H 75 9.201 9.201 7.910 1.291 18098 9087 1 16 . 1 1 76 76 ALA N N 76 122.129 122.129 121.648 0.481 18098 9088 1 16 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.145 -0.189 18098 9089 1 16 . 1 1 76 76 ALA C C 76 177.546 177.546 179.566 -2.020 18098 9090 1 16 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.423 0.777 18098 9091 1 16 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.683 0.542 18098 9092 1 16 . 1 1 76 76 ALA H H 76 8.761 8.761 7.641 1.120 18098 9093 1 16 . 1 1 77 77 THR N N 77 102.584 102.584 108.545 -5.961 18098 9094 1 16 . 1 1 77 77 THR HA H 77 4.192 4.192 3.917 0.275 18098 9095 1 16 . 1 1 77 77 THR C C 77 173.425 173.425 175.097 -1.672 18098 9096 1 16 . 1 1 77 77 THR CA C 77 60.767 60.767 62.606 -1.839 18098 9097 1 16 . 1 1 77 77 THR CB C 77 69.573 69.573 68.973 0.600 18098 9098 1 16 . 1 1 77 77 THR H H 77 7.411 7.411 7.552 -0.141 18098 9099 1 16 . 1 1 78 78 LYS N N 78 116.069 116.069 119.645 -3.576 18098 9100 1 16 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.634 -0.804 18098 9101 1 16 . 1 1 78 78 LYS C C 78 174.514 174.514 175.088 -0.574 18098 9102 1 16 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.069 0.173 18098 9103 1 16 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.318 -1.985 18098 9104 1 16 . 1 1 78 78 LYS H H 78 7.420 7.420 7.752 -0.332 18098 9105 1 16 . 1 1 79 79 ASN N N 79 120.318 120.318 118.597 1.721 18098 9106 1 16 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.893 -0.096 18098 9107 1 16 . 1 1 79 79 ASN C C 79 175.581 175.581 174.519 1.062 18098 9108 1 16 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.366 -1.771 18098 9109 1 16 . 1 1 79 79 ASN CB C 79 36.999 36.999 38.924 -1.925 18098 9110 1 16 . 1 1 79 79 ASN H H 79 8.828 8.828 7.820 1.008 18098 9111 1 16 . 1 1 80 80 PHE N N 80 120.545 120.545 118.590 1.955 18098 9112 1 16 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.802 0.067 18098 9113 1 16 . 1 1 80 80 PHE C C 80 177.311 177.311 176.826 0.485 18098 9114 1 16 . 1 1 80 80 PHE CA C 80 56.745 56.745 57.619 -0.874 18098 9115 1 16 . 1 1 80 80 PHE CB C 80 38.211 38.211 37.770 0.441 18098 9116 1 16 . 1 1 80 80 PHE H H 80 7.581 7.581 8.156 -0.575 18098 9117 1 16 . 1 1 81 81 LYS N N 81 118.568 118.568 117.806 0.762 18098 9118 1 16 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.056 0.005 18098 9119 1 16 . 1 1 81 81 LYS C C 81 177.845 177.845 177.475 0.370 18098 9120 1 16 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.587 -0.079 18098 9121 1 16 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.950 0.141 18098 9122 1 16 . 1 1 81 81 LYS H H 81 7.999 7.999 8.053 -0.054 18098 9123 1 16 . 1 1 82 82 THR N N 82 111.828 111.828 111.513 0.315 18098 9124 1 16 . 1 1 82 82 THR HA H 82 4.098 4.098 4.295 -0.197 18098 9125 1 16 . 1 1 82 82 THR C C 82 174.556 174.556 174.108 0.448 18098 9126 1 16 . 1 1 82 82 THR CA C 82 63.796 63.796 62.349 1.447 18098 9127 1 16 . 1 1 82 82 THR CB C 82 68.509 68.509 70.153 -1.644 18098 9128 1 16 . 1 1 82 82 THR H H 82 7.419 7.419 7.761 -0.342 18098 9129 1 16 . 1 1 83 83 SER N N 83 115.546 115.546 119.675 -4.129 18098 9130 1 16 . 1 1 83 83 SER HA H 83 5.000 5.000 4.989 0.011 18098 9131 1 16 . 1 1 83 83 SER C C 83 170.371 170.371 172.432 -2.061 18098 9132 1 16 . 1 1 83 83 SER CA C 83 54.673 54.673 56.333 -1.660 18098 9133 1 16 . 1 1 83 83 SER CB C 83 63.763 63.763 64.344 -0.581 18098 9134 1 16 . 1 1 83 83 SER H H 83 7.312 7.312 7.973 -0.661 18098 9135 1 16 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.677 -0.122 18098 9136 1 16 . 1 1 84 84 PRO C C 84 176.855 176.855 176.036 0.819 18098 9137 1 16 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.713 -0.173 18098 9138 1 16 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.520 -0.437 18098 9139 1 16 . 1 1 85 85 LEU N N 85 125.147 125.147 120.926 4.221 18098 9140 1 16 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.456 -0.643 18098 9141 1 16 . 1 1 85 85 LEU C C 85 175.168 175.168 175.308 -0.140 18098 9142 1 16 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.310 0.027 18098 9143 1 16 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.782 0.578 18098 9144 1 16 . 1 1 85 85 LEU H H 85 8.171 8.171 8.171 -0.000 18098 9145 1 16 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.620 -0.112 18098 9146 1 16 . 1 1 86 86 PRO C C 86 177.111 177.111 176.676 0.435 18098 9147 1 16 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.180 0.081 18098 9148 1 16 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.875 -0.100 18098 9149 1 16 . 1 1 87 87 ASP N N 87 123.224 123.224 119.586 3.638 18098 9150 1 16 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.322 -0.167 18098 9151 1 16 . 1 1 87 87 ASP C C 87 178.392 178.392 176.863 1.529 18098 9152 1 16 . 1 1 87 87 ASP CA C 87 57.499 57.499 56.402 1.097 18098 9153 1 16 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.469 -0.349 18098 9154 1 16 . 1 1 87 87 ASP H H 87 8.649 8.649 8.364 0.285 18098 9155 1 16 . 1 1 88 88 LYS N N 88 115.960 115.960 116.191 -0.231 18098 9156 1 16 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.940 -0.109 18098 9157 1 16 . 1 1 88 88 LYS C C 88 176.585 176.585 176.394 0.191 18098 9158 1 16 . 1 1 88 88 LYS CA C 88 58.259 58.259 57.997 0.262 18098 9159 1 16 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.639 0.095 18098 9160 1 16 . 1 1 88 88 LYS H H 88 8.344 8.344 8.103 0.241 18098 9161 1 16 . 1 1 89 89 TRP N N 89 116.821 116.821 118.270 -1.449 18098 9162 1 16 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.527 0.287 18098 9163 1 16 . 1 1 89 89 TRP C C 89 176.329 176.329 176.231 0.098 18098 9164 1 16 . 1 1 89 89 TRP CA C 89 56.147 56.147 55.555 0.592 18098 9165 1 16 . 1 1 89 89 TRP CB C 89 31.502 31.502 29.867 1.635 18098 9166 1 16 . 1 1 89 89 TRP H H 89 7.145 7.145 7.015 0.130 18098 9167 1 16 . 1 1 90 90 ALA N N 90 122.680 122.680 122.669 0.011 18098 9168 1 16 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.151 -0.285 18098 9169 1 16 . 1 1 90 90 ALA C C 90 177.965 177.965 176.821 1.144 18098 9170 1 16 . 1 1 90 90 ALA CA C 90 54.711 54.711 53.462 1.249 18098 9171 1 16 . 1 1 90 90 ALA CB C 90 18.379 18.379 17.839 0.540 18098 9172 1 16 . 1 1 90 90 ALA H H 90 7.456 7.456 7.450 0.006 18098 9173 1 16 . 1 1 91 91 ASN N N 91 114.054 114.054 117.964 -3.910 18098 9174 1 16 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.459 0.356 18098 9175 1 16 . 1 1 91 91 ASN C C 91 174.727 174.727 174.210 0.517 18098 9176 1 16 . 1 1 91 91 ASN CA C 91 52.389 52.389 53.974 -1.585 18098 9177 1 16 . 1 1 91 91 ASN CB C 91 38.707 38.707 36.743 1.964 18098 9178 1 16 . 1 1 91 91 ASN H H 91 8.318 8.318 8.795 -0.477 18098 9179 1 16 . 1 1 92 92 SER N N 92 113.359 113.359 116.274 -2.915 18098 9180 1 16 . 1 1 92 92 SER HA H 92 4.649 4.649 4.535 0.114 18098 9181 1 16 . 1 1 92 92 SER C C 92 177.033 177.033 175.528 1.505 18098 9182 1 16 . 1 1 92 92 SER CA C 92 57.599 57.599 57.779 -0.180 18098 9183 1 16 . 1 1 92 92 SER CB C 92 64.454 64.454 64.166 0.288 18098 9184 1 16 . 1 1 92 92 SER H H 92 7.255 7.255 7.684 -0.429 18098 9185 1 16 . 1 1 93 93 LYS N N 93 133.672 133.672 129.237 4.435 18098 9186 1 16 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.149 -0.019 18098 9187 1 16 . 1 1 93 93 LYS C C 93 178.763 178.763 178.064 0.699 18098 9188 1 16 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.237 -0.108 18098 9189 1 16 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.489 -0.406 18098 9190 1 16 . 1 1 93 93 LYS H H 93 9.608 9.608 9.049 0.559 18098 9191 1 16 . 1 1 94 94 LEU N N 94 122.086 122.086 120.030 2.056 18098 9192 1 16 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.259 0.092 18098 9193 1 16 . 1 1 94 94 LEU C C 94 178.663 178.663 178.508 0.155 18098 9194 1 16 . 1 1 94 94 LEU CA C 94 57.236 57.236 57.941 -0.705 18098 9195 1 16 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.758 -0.597 18098 9196 1 16 . 1 1 94 94 LEU H H 94 8.000 8.000 8.163 -0.163 18098 9197 1 16 . 1 1 95 95 LEU N N 95 118.720 118.720 118.945 -0.225 18098 9198 1 16 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.849 0.076 18098 9199 1 16 . 1 1 95 95 LEU C C 95 178.530 178.530 178.417 0.113 18098 9200 1 16 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.044 -0.663 18098 9201 1 16 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.658 -0.734 18098 9202 1 16 . 1 1 95 95 LEU H H 95 7.997 7.997 7.688 0.309 18098 9203 1 16 . 1 1 96 96 LYS N N 96 117.880 117.880 118.518 -0.638 18098 9204 1 16 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.271 -0.015 18098 9205 1 16 . 1 1 96 96 LYS C C 96 179.147 179.147 179.424 -0.277 18098 9206 1 16 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.413 0.049 18098 9207 1 16 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.206 -0.286 18098 9208 1 16 . 1 1 96 96 LYS H H 96 7.341 7.341 7.507 -0.166 18098 9209 1 16 . 1 1 97 97 GLN N N 97 119.660 119.660 118.815 0.845 18098 9210 1 16 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.274 -0.080 18098 9211 1 16 . 1 1 97 97 GLN C C 97 179.040 179.040 178.817 0.223 18098 9212 1 16 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.458 0.624 18098 9213 1 16 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.568 0.479 18098 9214 1 16 . 1 1 97 97 GLN H H 97 8.007 8.007 8.393 -0.386 18098 9215 1 16 . 1 1 98 98 LEU N N 98 122.983 122.983 121.075 1.908 18098 9216 1 16 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.729 0.122 18098 9217 1 16 . 1 1 98 98 LEU C C 98 178.841 178.841 178.717 0.124 18098 9218 1 16 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.208 0.873 18098 9219 1 16 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.350 0.546 18098 9220 1 16 . 1 1 98 98 LEU H H 98 8.425 8.425 7.821 0.604 18098 9221 1 16 . 1 1 99 99 GLN N N 99 119.099 119.099 118.887 0.212 18098 9222 1 16 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.251 0.389 18098 9223 1 16 . 1 1 99 99 GLN C C 99 179.660 179.660 178.933 0.727 18098 9224 1 16 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.923 -1.107 18098 9225 1 16 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.779 -1.362 18098 9226 1 16 . 1 1 99 99 GLN H H 99 8.594 8.594 8.366 0.228 18098 9227 1 16 . 1 1 100 100 GLU N N 100 120.803 120.803 119.449 1.354 18098 9228 1 16 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.398 -0.287 18098 9229 1 16 . 1 1 100 100 GLU C C 100 178.870 178.870 179.082 -0.212 18098 9230 1 16 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.743 0.706 18098 9231 1 16 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.685 -0.305 18098 9232 1 16 . 1 1 100 100 GLU H H 100 8.353 8.353 7.933 0.420 18098 9233 1 16 . 1 1 101 101 PHE N N 101 120.752 120.752 121.085 -0.333 18098 9234 1 16 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.418 0.055 18098 9235 1 16 . 1 1 101 101 PHE C C 101 177.289 177.289 177.617 -0.328 18098 9236 1 16 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.776 0.341 18098 9237 1 16 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.653 0.050 18098 9238 1 16 . 1 1 101 101 PHE H H 101 8.544 8.544 8.182 0.362 18098 9239 1 16 . 1 1 102 102 SER N N 102 112.889 112.889 114.685 -1.796 18098 9240 1 16 . 1 1 102 102 SER HA H 102 3.821 3.821 4.007 -0.186 18098 9241 1 16 . 1 1 102 102 SER C C 102 176.414 176.414 176.122 0.292 18098 9242 1 16 . 1 1 102 102 SER CA C 102 61.123 61.123 61.592 -0.469 18098 9243 1 16 . 1 1 102 102 SER CB C 102 63.193 63.193 62.708 0.485 18098 9244 1 16 . 1 1 102 102 SER H H 102 8.314 8.314 8.114 0.200 18098 9245 1 16 . 1 1 103 103 GLU N N 103 118.066 118.066 119.577 -1.511 18098 9246 1 16 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.206 -0.092 18098 9247 1 16 . 1 1 103 103 GLU C C 103 177.375 177.375 176.824 0.551 18098 9248 1 16 . 1 1 103 103 GLU CA C 103 57.801 57.801 57.860 -0.059 18098 9249 1 16 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.666 0.360 18098 9250 1 16 . 1 1 103 103 GLU H H 103 7.809 7.809 7.682 0.127 18098 9251 1 16 . 1 1 104 104 ASN N N 104 117.241 117.241 115.330 1.911 18098 9252 1 16 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.816 -0.169 18098 9253 1 16 . 1 1 104 104 ASN C C 104 175.752 175.752 174.409 1.343 18098 9254 1 16 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.220 0.519 18098 9255 1 16 . 1 1 104 104 ASN CB C 104 38.622 38.622 39.373 -0.751 18098 9256 1 16 . 1 1 104 104 ASN H H 104 7.917 7.917 7.667 0.250 18098 9257 1 16 . 1 1 105 105 LYS N N 105 121.903 121.903 120.594 1.309 18098 9258 1 16 . 1 1 105 105 LYS HA H 105 4.068 4.068 4.172 -0.104 18098 9259 1 16 . 1 1 105 105 LYS C C 105 177.311 177.311 176.371 0.940 18098 9260 1 16 . 1 1 105 105 LYS CA C 105 57.374 57.374 56.855 0.519 18098 9261 1 16 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.914 0.123 18098 9262 1 16 . 1 1 105 105 LYS H H 105 8.093 8.093 7.191 0.902 18098 9263 1 16 . 1 1 106 106 GLU N N 106 119.595 119.595 116.888 2.707 18098 9264 1 16 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.224 0.045 18098 9265 1 16 . 1 1 106 106 GLU C C 106 176.585 176.585 176.808 -0.223 18098 9266 1 16 . 1 1 106 106 GLU CA C 106 56.691 56.691 57.053 -0.362 18098 9267 1 16 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.581 0.119 18098 9268 1 16 . 1 1 106 106 GLU H H 106 8.200 8.200 8.246 -0.046 18098 9269 1 16 . 1 1 107 107 LYS N N 107 120.538 120.538 120.893 -0.355 18098 9270 1 16 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.186 0.081 18098 9271 1 16 . 1 1 107 107 LYS C C 107 176.435 176.435 176.841 -0.406 18098 9272 1 16 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.074 0.378 18098 9273 1 16 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.042 2.068 18098 9274 1 16 . 1 1 107 107 LYS H H 107 7.838 7.838 7.960 -0.122 18098 9275 1 16 . 1 1 108 108 GLU N N 108 122.869 122.869 124.478 -1.609 18098 9276 1 16 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.429 -0.112 18098 9277 1 16 . 1 1 108 108 GLU C C 108 175.403 175.403 176.714 -1.311 18098 9278 1 16 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.438 1.127 18098 9279 1 16 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.258 -0.201 18098 9280 1 16 . 1 1 108 108 GLU H H 108 8.313 8.313 8.122 0.191 18098 9281 1 17 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.809 -0.167 18098 9282 1 17 . 1 1 10 10 HIS C C 10 174.891 174.891 173.771 1.120 18098 9283 1 17 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.953 0.077 18098 9284 1 17 . 1 1 10 10 HIS CB C 10 30.113 30.113 31.687 -1.574 18098 9285 1 17 . 1 1 11 11 MET N N 11 121.211 121.211 123.557 -2.346 18098 9286 1 17 . 1 1 11 11 MET HA H 11 4.417 4.417 4.747 -0.330 18098 9287 1 17 . 1 1 11 11 MET C C 11 175.709 175.709 175.444 0.265 18098 9288 1 17 . 1 1 11 11 MET CA C 11 55.405 55.405 54.987 0.418 18098 9289 1 17 . 1 1 11 11 MET CB C 11 32.776 32.776 34.516 -1.740 18098 9290 1 17 . 1 1 11 11 MET H H 11 8.179 8.179 8.560 -0.381 18098 9291 1 17 . 1 1 12 12 ILE N N 12 122.511 122.511 126.772 -4.261 18098 9292 1 17 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.067 0.056 18098 9293 1 17 . 1 1 12 12 ILE C C 12 175.809 175.809 176.140 -0.331 18098 9294 1 17 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.360 -0.558 18098 9295 1 17 . 1 1 12 12 ILE CB C 12 38.531 38.531 36.987 1.544 18098 9296 1 17 . 1 1 12 12 ILE H H 12 8.088 8.088 8.697 -0.609 18098 9297 1 17 . 1 1 13 13 LYS N N 13 126.072 126.072 125.276 0.796 18098 9298 1 17 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.401 -0.073 18098 9299 1 17 . 1 1 13 13 LYS C C 13 176.108 176.108 176.383 -0.275 18098 9300 1 17 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.600 0.453 18098 9301 1 17 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.351 0.564 18098 9302 1 17 . 1 1 13 13 LYS H H 13 8.381 8.381 8.068 0.313 18098 9303 1 17 . 1 1 14 14 ARG N N 14 123.714 123.714 119.597 4.117 18098 9304 1 17 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.450 -0.006 18098 9305 1 17 . 1 1 14 14 ARG C C 14 176.428 176.428 176.221 0.207 18098 9306 1 17 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.484 0.258 18098 9307 1 17 . 1 1 14 14 ARG CB C 14 30.781 30.781 27.561 3.220 18098 9308 1 17 . 1 1 14 14 ARG H H 14 8.484 8.484 8.026 0.458 18098 9309 1 17 . 1 1 15 15 THR N N 15 115.338 115.338 116.511 -1.173 18098 9310 1 17 . 1 1 15 15 THR HA H 15 4.367 4.367 4.113 0.254 18098 9311 1 17 . 1 1 15 15 THR C C 15 174.172 174.172 174.805 -0.633 18098 9312 1 17 . 1 1 15 15 THR CA C 15 61.501 61.501 65.076 -3.575 18098 9313 1 17 . 1 1 15 15 THR CB C 15 69.868 69.868 69.064 0.804 18098 9314 1 17 . 1 1 15 15 THR H H 15 8.279 8.279 8.031 0.248 18098 9315 1 17 . 1 1 16 16 ASN N N 16 120.727 120.727 119.939 0.788 18098 9316 1 17 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.770 -0.092 18098 9317 1 17 . 1 1 16 16 ASN C C 16 174.482 174.482 173.786 0.696 18098 9318 1 17 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.168 -0.096 18098 9319 1 17 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.882 -0.500 18098 9320 1 17 . 1 1 16 16 ASN H H 16 8.612 8.612 8.351 0.261 18098 9321 1 17 . 1 1 17 17 GLU N N 17 123.790 123.790 126.839 -3.049 18098 9322 1 17 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.597 0.004 18098 9323 1 17 . 1 1 17 17 GLU C C 17 173.823 173.823 174.197 -0.374 18098 9324 1 17 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.075 -0.110 18098 9325 1 17 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.720 1.043 18098 9326 1 17 . 1 1 17 17 GLU H H 17 8.113 8.113 8.453 -0.340 18098 9327 1 17 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.442 0.073 18098 9328 1 17 . 1 1 18 18 PRO C C 18 177.709 177.709 177.562 0.147 18098 9329 1 17 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.202 0.563 18098 9330 1 17 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.590 -0.109 18098 9331 1 17 . 1 1 19 19 LEU N N 19 123.760 123.760 121.996 1.764 18098 9332 1 17 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.094 -0.088 18098 9333 1 17 . 1 1 19 19 LEU C C 19 178.307 178.307 178.788 -0.481 18098 9334 1 17 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.927 0.536 18098 9335 1 17 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.246 0.552 18098 9336 1 17 . 1 1 19 19 LEU H H 19 8.720 8.720 8.494 0.226 18098 9337 1 17 . 1 1 20 20 ASP N N 20 115.650 115.650 119.706 -4.056 18098 9338 1 17 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.422 -0.061 18098 9339 1 17 . 1 1 20 20 ASP C C 20 179.531 179.531 178.370 1.161 18098 9340 1 17 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.394 -0.307 18098 9341 1 17 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.506 -1.185 18098 9342 1 17 . 1 1 20 20 ASP H H 20 8.829 8.829 8.522 0.307 18098 9343 1 17 . 1 1 21 21 LYS N N 21 121.462 121.462 118.926 2.536 18098 9344 1 17 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.018 0.114 18098 9345 1 17 . 1 1 21 21 LYS C C 21 178.421 178.421 178.814 -0.393 18098 9346 1 17 . 1 1 21 21 LYS CA C 21 58.283 58.283 59.241 -0.958 18098 9347 1 17 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.277 -0.297 18098 9348 1 17 . 1 1 21 21 LYS H H 21 7.352 7.352 8.190 -0.838 18098 9349 1 17 . 1 1 22 22 LYS N N 22 123.296 123.296 119.808 3.488 18098 9350 1 17 . 1 1 22 22 LYS HA H 22 3.990 3.990 3.994 -0.004 18098 9351 1 17 . 1 1 22 22 LYS C C 22 178.179 178.179 178.589 -0.410 18098 9352 1 17 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.611 0.243 18098 9353 1 17 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.396 0.391 18098 9354 1 17 . 1 1 22 22 LYS H H 22 8.407 8.407 8.144 0.263 18098 9355 1 17 . 1 1 23 23 ARG N N 23 116.950 116.950 119.412 -2.462 18098 9356 1 17 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.038 -0.304 18098 9357 1 17 . 1 1 23 23 ARG C C 23 177.460 177.460 178.308 -0.848 18098 9358 1 17 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.480 1.025 18098 9359 1 17 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.171 0.097 18098 9360 1 17 . 1 1 23 23 ARG H H 23 8.594 8.594 8.047 0.547 18098 9361 1 17 . 1 1 24 24 ALA N N 24 118.391 118.391 120.834 -2.443 18098 9362 1 17 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.122 -0.078 18098 9363 1 17 . 1 1 24 24 ALA C C 24 180.514 180.514 180.055 0.459 18098 9364 1 17 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.990 0.079 18098 9365 1 17 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.182 -0.248 18098 9366 1 17 . 1 1 24 24 ALA H H 24 7.505 7.505 7.717 -0.212 18098 9367 1 17 . 1 1 25 25 ARG N N 25 120.413 120.413 118.812 1.601 18098 9368 1 17 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.092 0.115 18098 9369 1 17 . 1 1 25 25 ARG C C 25 178.058 178.058 179.016 -0.958 18098 9370 1 17 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.374 0.019 18098 9371 1 17 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.171 -0.559 18098 9372 1 17 . 1 1 25 25 ARG H H 25 8.291 8.291 8.170 0.121 18098 9373 1 17 . 1 1 26 26 LEU N N 26 119.205 119.205 120.839 -1.634 18098 9374 1 17 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.133 0.012 18098 9375 1 17 . 1 1 26 26 LEU C C 26 180.642 180.642 179.078 1.564 18098 9376 1 17 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.864 -0.089 18098 9377 1 17 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.165 -0.465 18098 9378 1 17 . 1 1 26 26 LEU H H 26 8.305 8.305 8.066 0.239 18098 9379 1 17 . 1 1 27 27 ILE N N 27 123.643 123.643 118.874 4.769 18098 9380 1 17 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.769 -0.168 18098 9381 1 17 . 1 1 27 27 ILE C C 27 177.716 177.716 178.463 -0.747 18098 9382 1 17 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.401 0.751 18098 9383 1 17 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.745 0.096 18098 9384 1 17 . 1 1 27 27 ILE H H 27 8.488 8.488 7.951 0.537 18098 9385 1 17 . 1 1 28 28 TYR N N 28 121.443 121.443 120.681 0.762 18098 9386 1 17 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.001 0.214 18098 9387 1 17 . 1 1 28 28 TYR C C 28 178.656 178.656 177.629 1.027 18098 9388 1 17 . 1 1 28 28 TYR CA C 28 61.443 61.443 62.098 -0.655 18098 9389 1 17 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.363 -0.529 18098 9390 1 17 . 1 1 28 28 TYR H H 28 7.832 7.832 8.024 -0.192 18098 9391 1 17 . 1 1 29 29 GLN N N 29 115.999 115.999 116.920 -0.921 18098 9392 1 17 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.837 0.024 18098 9393 1 17 . 1 1 29 29 GLN C C 29 178.537 178.537 178.231 0.306 18098 9394 1 17 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.374 -0.177 18098 9395 1 17 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.425 0.863 18098 9396 1 17 . 1 1 29 29 GLN H H 29 8.965 8.965 8.115 0.850 18098 9397 1 17 . 1 1 30 30 SER N N 30 115.599 115.599 115.012 0.587 18098 9398 1 17 . 1 1 30 30 SER HA H 30 4.100 4.100 4.243 -0.143 18098 9399 1 17 . 1 1 30 30 SER C C 30 171.004 171.004 176.068 -5.064 18098 9400 1 17 . 1 1 30 30 SER CA C 30 61.818 61.818 61.026 0.792 18098 9401 1 17 . 1 1 30 30 SER CB C 30 63.196 63.196 62.996 0.200 18098 9402 1 17 . 1 1 30 30 SER H H 30 7.643 7.643 7.958 -0.315 18098 9403 1 17 . 1 1 31 31 ARG N N 31 114.000 114.000 119.273 -5.273 18098 9404 1 17 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.362 0.264 18098 9405 1 17 . 1 1 31 31 ARG C C 31 176.556 176.556 176.411 0.145 18098 9406 1 17 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.890 -1.880 18098 9407 1 17 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.734 -0.075 18098 9408 1 17 . 1 1 31 31 ARG H H 31 6.987 6.987 7.434 -0.447 18098 9409 1 17 . 1 1 32 32 LYS N N 32 120.507 120.507 120.949 -0.442 18098 9410 1 17 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.167 0.338 18098 9411 1 17 . 1 1 32 32 LYS C C 32 176.577 176.577 175.496 1.081 18098 9412 1 17 . 1 1 32 32 LYS CA C 32 54.191 54.191 56.154 -1.962 18098 9413 1 17 . 1 1 32 32 LYS CB C 32 31.070 31.070 31.838 -0.768 18098 9414 1 17 . 1 1 32 32 LYS H H 32 7.245 7.245 7.519 -0.274 18098 9415 1 17 . 1 1 33 33 ARG N N 33 119.630 119.630 121.846 -2.216 18098 9416 1 17 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.396 0.080 18098 9417 1 17 . 1 1 33 33 ARG C C 33 177.289 177.289 175.698 1.591 18098 9418 1 17 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.634 -2.245 18098 9419 1 17 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.818 -5.475 18098 9420 1 17 . 1 1 33 33 ARG H H 33 8.831 8.831 8.149 0.682 18098 9421 1 17 . 1 1 34 34 GLY N N 34 107.776 107.776 107.936 -0.160 18098 9422 1 17 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.223 0.690 18098 9423 1 17 . 1 1 34 34 GLY H H 34 8.652 8.652 8.636 0.016 18098 9424 1 17 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.089 0.257 18098 9425 1 17 . 1 1 35 35 ILE C C 35 175.624 175.624 175.909 -0.285 18098 9426 1 17 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.837 -1.833 18098 9427 1 17 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.308 -1.425 18098 9428 1 17 . 1 1 35 35 ILE H H 35 6.841 6.841 7.249 -0.408 18098 9429 1 17 . 1 1 36 36 LEU N N 36 128.200 128.200 126.430 1.770 18098 9430 1 17 . 1 1 36 36 LEU HA H 36 3.940 3.940 3.930 0.010 18098 9431 1 17 . 1 1 36 36 LEU C C 36 177.994 177.994 178.716 -0.722 18098 9432 1 17 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.936 0.082 18098 9433 1 17 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.706 1.177 18098 9434 1 17 . 1 1 36 36 LEU H H 36 8.518 8.518 8.643 -0.125 18098 9435 1 17 . 1 1 37 37 GLU N N 37 118.515 118.515 118.565 -0.050 18098 9436 1 17 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.866 -0.326 18098 9437 1 17 . 1 1 37 37 GLU C C 37 179.332 179.332 178.635 0.697 18098 9438 1 17 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.100 2.407 18098 9439 1 17 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.841 -0.106 18098 9440 1 17 . 1 1 37 37 GLU H H 37 9.964 9.964 8.477 1.487 18098 9441 1 17 . 1 1 38 38 THR N N 38 111.283 111.283 114.062 -2.779 18098 9442 1 17 . 1 1 38 38 THR HA H 38 3.867 3.867 4.038 -0.171 18098 9443 1 17 . 1 1 38 38 THR C C 38 175.061 175.061 176.235 -1.174 18098 9444 1 17 . 1 1 38 38 THR CA C 38 65.735 65.735 66.112 -0.377 18098 9445 1 17 . 1 1 38 38 THR CB C 38 67.623 67.623 67.929 -0.306 18098 9446 1 17 . 1 1 38 38 THR H H 38 6.425 6.425 7.667 -1.242 18098 9447 1 17 . 1 1 39 39 ASP N N 39 124.325 124.325 123.468 0.857 18098 9448 1 17 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.414 0.099 18098 9449 1 17 . 1 1 39 39 ASP C C 39 179.225 179.225 178.830 0.395 18098 9450 1 17 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.150 -0.052 18098 9451 1 17 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.819 1.064 18098 9452 1 17 . 1 1 39 39 ASP H H 39 7.997 7.997 7.731 0.266 18098 9453 1 17 . 1 1 40 40 LEU N N 40 118.757 118.757 119.719 -0.962 18098 9454 1 17 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.009 0.002 18098 9455 1 17 . 1 1 40 40 LEU C C 40 180.528 180.528 179.287 1.241 18098 9456 1 17 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.633 0.459 18098 9457 1 17 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.776 0.022 18098 9458 1 17 . 1 1 40 40 LEU H H 40 8.623 8.623 8.020 0.603 18098 9459 1 17 . 1 1 41 41 LEU N N 41 119.923 119.923 120.624 -0.701 18098 9460 1 17 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.246 0.147 18098 9461 1 17 . 1 1 41 41 LEU C C 41 177.631 177.631 178.585 -0.954 18098 9462 1 17 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.206 0.150 18098 9463 1 17 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.058 1.281 18098 9464 1 17 . 1 1 41 41 LEU H H 41 7.382 7.382 7.397 -0.015 18098 9465 1 17 . 1 1 42 42 LEU N N 42 115.623 115.623 118.247 -2.624 18098 9466 1 17 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.073 0.200 18098 9467 1 17 . 1 1 42 42 LEU C C 42 179.489 179.489 179.620 -0.131 18098 9468 1 17 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.922 -0.353 18098 9469 1 17 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.522 -1.038 18098 9470 1 17 . 1 1 42 42 LEU H H 42 8.963 8.963 8.381 0.582 18098 9471 1 17 . 1 1 43 43 SER N N 43 115.349 115.349 115.725 -0.376 18098 9472 1 17 . 1 1 43 43 SER HA H 43 4.039 4.039 4.257 -0.218 18098 9473 1 17 . 1 1 43 43 SER C C 43 178.200 178.200 177.099 1.101 18098 9474 1 17 . 1 1 43 43 SER CA C 43 62.665 62.665 62.811 -0.146 18098 9475 1 17 . 1 1 43 43 SER CB C 43 62.476 62.476 62.693 -0.217 18098 9476 1 17 . 1 1 43 43 SER H H 43 8.535 8.535 8.373 0.162 18098 9477 1 17 . 1 1 44 44 GLY N N 44 110.034 110.034 109.426 0.608 18098 9478 1 17 . 1 1 44 44 GLY C C 44 175.624 175.624 175.556 0.068 18098 9479 1 17 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.801 0.343 18098 9480 1 17 . 1 1 44 44 GLY H H 44 7.812 7.812 7.754 0.058 18098 9481 1 17 . 1 1 45 45 PHE N N 45 125.487 125.487 122.687 2.800 18098 9482 1 17 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.208 -0.270 18098 9483 1 17 . 1 1 45 45 PHE C C 45 177.482 177.482 176.306 1.176 18098 9484 1 17 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.685 0.559 18098 9485 1 17 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.775 1.144 18098 9486 1 17 . 1 1 45 45 PHE H H 45 8.542 8.542 7.918 0.624 18098 9487 1 17 . 1 1 46 46 ALA N N 46 121.034 121.034 121.402 -0.368 18098 9488 1 17 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.895 -0.163 18098 9489 1 17 . 1 1 46 46 ALA C C 46 179.916 179.916 179.093 0.823 18098 9490 1 17 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.850 -0.142 18098 9491 1 17 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.159 -0.062 18098 9492 1 17 . 1 1 46 46 ALA H H 46 9.262 9.262 8.337 0.925 18098 9493 1 17 . 1 1 47 47 ALA N N 47 117.642 117.642 120.787 -3.145 18098 9494 1 17 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.015 -0.044 18098 9495 1 17 . 1 1 47 47 ALA C C 47 178.250 178.250 179.036 -0.786 18098 9496 1 17 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.997 -0.614 18098 9497 1 17 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.419 -0.218 18098 9498 1 17 . 1 1 47 47 ALA H H 47 7.481 7.481 7.819 -0.338 18098 9499 1 17 . 1 1 48 48 LYS N N 48 115.388 115.388 118.430 -3.042 18098 9500 1 17 . 1 1 48 48 LYS HA H 48 4.100 4.100 3.998 0.102 18098 9501 1 17 . 1 1 48 48 LYS C C 48 177.845 177.845 178.870 -1.025 18098 9502 1 17 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.836 -1.076 18098 9503 1 17 . 1 1 48 48 LYS CB C 48 33.786 33.786 32.639 1.147 18098 9504 1 17 . 1 1 48 48 LYS H H 48 7.056 7.056 7.456 -0.400 18098 9505 1 17 . 1 1 49 49 TYR N N 49 112.714 112.714 117.179 -4.465 18098 9506 1 17 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.078 0.218 18098 9507 1 17 . 1 1 49 49 TYR C C 49 178.272 178.272 177.684 0.588 18098 9508 1 17 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.857 -0.734 18098 9509 1 17 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.085 2.175 18098 9510 1 17 . 1 1 49 49 TYR H H 49 7.941 7.941 8.037 -0.096 18098 9511 1 17 . 1 1 50 50 LEU N N 50 120.890 120.890 117.248 3.642 18098 9512 1 17 . 1 1 50 50 LEU HA H 50 3.975 3.975 4.035 -0.060 18098 9513 1 17 . 1 1 50 50 LEU C C 50 180.108 180.108 178.182 1.926 18098 9514 1 17 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.390 2.319 18098 9515 1 17 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.090 -0.252 18098 9516 1 17 . 1 1 50 50 LEU H H 50 7.945 7.945 7.700 0.245 18098 9517 1 17 . 1 1 51 51 LYS N N 51 115.335 115.335 116.846 -1.511 18098 9518 1 17 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.061 -0.203 18098 9519 1 17 . 1 1 51 51 LYS C C 51 176.051 176.051 177.425 -1.374 18098 9520 1 17 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.421 0.384 18098 9521 1 17 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.508 -1.001 18098 9522 1 17 . 1 1 51 51 LYS H H 51 8.463 8.463 7.497 0.966 18098 9523 1 17 . 1 1 52 52 LYS N N 52 115.175 115.175 115.548 -0.373 18098 9524 1 17 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.180 0.230 18098 9525 1 17 . 1 1 52 52 LYS C C 52 176.777 176.777 177.350 -0.573 18098 9526 1 17 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.552 -1.467 18098 9527 1 17 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.041 0.075 18098 9528 1 17 . 1 1 52 52 LYS H H 52 7.232 7.232 7.394 -0.162 18098 9529 1 17 . 1 1 53 53 MET N N 53 120.127 120.127 119.553 0.574 18098 9530 1 17 . 1 1 53 53 MET HA H 53 4.485 4.485 4.534 -0.049 18098 9531 1 17 . 1 1 53 53 MET C C 53 176.179 176.179 176.058 0.121 18098 9532 1 17 . 1 1 53 53 MET CA C 53 57.091 57.091 55.817 1.274 18098 9533 1 17 . 1 1 53 53 MET CB C 53 34.125 34.125 33.510 0.615 18098 9534 1 17 . 1 1 53 53 MET H H 53 7.175 7.175 7.781 -0.606 18098 9535 1 17 . 1 1 54 54 ASN N N 54 120.819 120.819 121.957 -1.138 18098 9536 1 17 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.835 -0.070 18098 9537 1 17 . 1 1 54 54 ASN C C 54 175.154 175.154 175.942 -0.788 18098 9538 1 17 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.304 -1.363 18098 9539 1 17 . 1 1 54 54 ASN CB C 54 38.535 38.535 41.008 -2.473 18098 9540 1 17 . 1 1 54 54 ASN H H 54 9.045 9.045 8.675 0.370 18098 9541 1 17 . 1 1 55 55 GLU N N 55 116.971 116.971 121.663 -4.692 18098 9542 1 17 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.954 -0.130 18098 9543 1 17 . 1 1 55 55 GLU C C 55 178.122 178.122 177.899 0.223 18098 9544 1 17 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.234 1.018 18098 9545 1 17 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.579 0.090 18098 9546 1 17 . 1 1 55 55 GLU H H 55 8.891 8.891 8.919 -0.028 18098 9547 1 17 . 1 1 56 56 GLU N N 56 119.652 119.652 116.882 2.770 18098 9548 1 17 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.053 0.084 18098 9549 1 17 . 1 1 56 56 GLU C C 56 179.937 179.937 179.127 0.810 18098 9550 1 17 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.195 0.621 18098 9551 1 17 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.938 0.144 18098 9552 1 17 . 1 1 56 56 GLU H H 56 8.366 8.366 8.778 -0.412 18098 9553 1 17 . 1 1 57 57 GLU N N 57 122.119 122.119 119.870 2.249 18098 9554 1 17 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.301 -0.036 18098 9555 1 17 . 1 1 57 57 GLU C C 57 179.332 179.332 179.225 0.107 18098 9556 1 17 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.263 0.896 18098 9557 1 17 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.860 -0.560 18098 9558 1 17 . 1 1 57 57 GLU H H 57 8.491 8.491 7.712 0.779 18098 9559 1 17 . 1 1 58 58 LEU N N 58 119.424 119.424 120.373 -0.949 18098 9560 1 17 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.130 0.006 18098 9561 1 17 . 1 1 58 58 LEU C C 58 179.218 179.218 179.350 -0.132 18098 9562 1 17 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.309 -0.624 18098 9563 1 17 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.809 0.041 18098 9564 1 17 . 1 1 58 58 LEU H H 58 8.693 8.693 8.213 0.480 18098 9565 1 17 . 1 1 59 59 GLU N N 59 118.813 118.813 118.035 0.778 18098 9566 1 17 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.095 0.205 18098 9567 1 17 . 1 1 59 59 GLU C C 59 179.361 179.361 178.893 0.468 18098 9568 1 17 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.446 -0.407 18098 9569 1 17 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.289 -0.184 18098 9570 1 17 . 1 1 59 59 GLU H H 59 8.009 8.009 8.475 -0.466 18098 9571 1 17 . 1 1 60 60 GLU N N 60 121.472 121.472 120.932 0.540 18098 9572 1 17 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.169 0.087 18098 9573 1 17 . 1 1 60 60 GLU C C 60 178.451 178.451 178.683 -0.232 18098 9574 1 17 . 1 1 60 60 GLU CA C 60 59.649 59.649 59.057 0.592 18098 9575 1 17 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.826 -0.062 18098 9576 1 17 . 1 1 60 60 GLU H H 60 7.867 7.867 7.823 0.044 18098 9577 1 17 . 1 1 61 61 TYR N N 61 121.955 121.955 120.684 1.271 18098 9578 1 17 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.232 -0.098 18098 9579 1 17 . 1 1 61 61 TYR C C 61 176.278 176.278 177.400 -1.122 18098 9580 1 17 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.852 1.319 18098 9581 1 17 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.472 -0.282 18098 9582 1 17 . 1 1 61 61 TYR H H 61 8.675 8.675 8.220 0.455 18098 9583 1 17 . 1 1 62 62 ASP N N 62 118.314 118.314 119.126 -0.812 18098 9584 1 17 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.177 0.086 18098 9585 1 17 . 1 1 62 62 ASP C C 62 178.464 178.464 178.223 0.241 18098 9586 1 17 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.599 -0.854 18098 9587 1 17 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.604 0.941 18098 9588 1 17 . 1 1 62 62 ASP H H 62 8.481 8.481 8.345 0.136 18098 9589 1 17 . 1 1 63 63 SER N N 63 111.380 111.380 114.650 -3.270 18098 9590 1 17 . 1 1 63 63 SER HA H 63 4.361 4.361 4.305 0.056 18098 9591 1 17 . 1 1 63 63 SER C C 63 178.763 178.763 175.787 2.976 18098 9592 1 17 . 1 1 63 63 SER CA C 63 61.824 61.824 61.664 0.160 18098 9593 1 17 . 1 1 63 63 SER CB C 63 62.830 62.830 63.501 -0.671 18098 9594 1 17 . 1 1 63 63 SER H H 63 7.779 7.779 7.672 0.107 18098 9595 1 17 . 1 1 64 64 LEU N N 64 127.444 127.444 120.892 6.552 18098 9596 1 17 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.117 -0.061 18098 9597 1 17 . 1 1 64 64 LEU C C 64 177.688 177.688 178.363 -0.675 18098 9598 1 17 . 1 1 64 64 LEU CA C 64 58.051 58.051 56.882 1.169 18098 9599 1 17 . 1 1 64 64 LEU CB C 64 40.175 40.175 42.040 -1.865 18098 9600 1 17 . 1 1 64 64 LEU H H 64 8.616 8.616 7.439 1.177 18098 9601 1 17 . 1 1 65 65 LEU N N 65 114.503 114.503 119.652 -5.149 18098 9602 1 17 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.738 0.030 18098 9603 1 17 . 1 1 65 65 LEU C C 65 178.506 178.506 178.319 0.187 18098 9604 1 17 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.456 -1.091 18098 9605 1 17 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.871 -0.408 18098 9606 1 17 . 1 1 65 65 LEU H H 65 7.700 7.700 8.199 -0.499 18098 9607 1 17 . 1 1 66 66 ASN N N 66 116.208 116.208 115.416 0.792 18098 9608 1 17 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.504 0.235 18098 9609 1 17 . 1 1 66 66 ASN C C 66 176.008 176.008 175.795 0.213 18098 9610 1 17 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.525 -0.639 18098 9611 1 17 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.905 0.354 18098 9612 1 17 . 1 1 66 66 ASN H H 66 7.533 7.533 7.809 -0.276 18098 9613 1 17 . 1 1 67 67 GLU N N 67 120.300 120.300 118.970 1.330 18098 9614 1 17 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.438 0.051 18098 9615 1 17 . 1 1 67 67 GLU C C 67 175.410 175.410 176.068 -0.658 18098 9616 1 17 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.350 -0.384 18098 9617 1 17 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.625 -2.205 18098 9618 1 17 . 1 1 67 67 GLU H H 67 7.948 7.948 7.547 0.401 18098 9619 1 17 . 1 1 68 68 LEU N N 68 120.037 120.037 121.767 -1.730 18098 9620 1 17 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.267 -0.137 18098 9621 1 17 . 1 1 68 68 LEU C C 68 178.720 178.720 177.781 0.939 18098 9622 1 17 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.730 -0.024 18098 9623 1 17 . 1 1 68 68 LEU CB C 68 41.508 41.508 41.913 -0.405 18098 9624 1 17 . 1 1 68 68 LEU H H 68 9.451 9.451 8.434 1.017 18098 9625 1 17 . 1 1 69 69 ASP N N 69 120.774 120.774 125.909 -5.135 18098 9626 1 17 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.120 0.057 18098 9627 1 17 . 1 1 69 69 ASP C C 69 179.446 179.446 178.307 1.139 18098 9628 1 17 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.697 -0.060 18098 9629 1 17 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.353 0.501 18098 9630 1 17 . 1 1 69 69 ASP H H 69 8.445 8.445 8.734 -0.289 18098 9631 1 17 . 1 1 70 70 TRP N N 70 117.865 117.865 119.132 -1.267 18098 9632 1 17 . 1 1 70 70 TRP HA H 70 4.118 4.118 3.979 0.139 18098 9633 1 17 . 1 1 70 70 TRP C C 70 176.983 176.983 177.970 -0.987 18098 9634 1 17 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.507 0.596 18098 9635 1 17 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.306 -0.915 18098 9636 1 17 . 1 1 70 70 TRP H H 70 8.809 8.809 7.919 0.890 18098 9637 1 17 . 1 1 71 71 ASP N N 71 116.993 116.993 118.923 -1.930 18098 9638 1 17 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.970 -0.108 18098 9639 1 17 . 1 1 71 71 ASP C C 71 175.218 175.218 177.729 -2.511 18098 9640 1 17 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.285 0.168 18098 9641 1 17 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.764 -1.041 18098 9642 1 17 . 1 1 71 71 ASP H H 71 6.134 6.134 7.485 -1.351 18098 9643 1 17 . 1 1 72 72 ILE N N 72 115.361 115.361 120.076 -4.715 18098 9644 1 17 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.415 -0.543 18098 9645 1 17 . 1 1 72 72 ILE C C 72 177.097 177.097 177.563 -0.466 18098 9646 1 17 . 1 1 72 72 ILE CA C 72 66.119 66.119 65.070 1.049 18098 9647 1 17 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.681 0.598 18098 9648 1 17 . 1 1 72 72 ILE H H 72 7.302 7.302 7.489 -0.187 18098 9649 1 17 . 1 1 73 73 TYR N N 73 116.121 116.121 120.408 -4.287 18098 9650 1 17 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.974 -0.233 18098 9651 1 17 . 1 1 73 73 TYR C C 73 178.827 178.827 177.292 1.535 18098 9652 1 17 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.943 0.207 18098 9653 1 17 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.547 -0.375 18098 9654 1 17 . 1 1 73 73 TYR H H 73 7.327 7.327 7.447 -0.120 18098 9655 1 17 . 1 1 74 74 TYR N N 74 121.029 121.029 117.477 3.552 18098 9656 1 17 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.259 0.017 18098 9657 1 17 . 1 1 74 74 TYR C C 74 178.165 178.165 178.478 -0.313 18098 9658 1 17 . 1 1 74 74 TYR CA C 74 59.277 59.277 58.743 0.534 18098 9659 1 17 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.748 -1.964 18098 9660 1 17 . 1 1 74 74 TYR H H 74 8.922 8.922 7.708 1.214 18098 9661 1 17 . 1 1 75 75 TRP N N 75 121.118 121.118 119.515 1.603 18098 9662 1 17 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.611 0.144 18098 9663 1 17 . 1 1 75 75 TRP C C 75 180.599 180.599 177.516 3.083 18098 9664 1 17 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.615 -0.845 18098 9665 1 17 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.932 0.479 18098 9666 1 17 . 1 1 75 75 TRP H H 75 9.201 9.201 7.895 1.306 18098 9667 1 17 . 1 1 76 76 ALA N N 76 122.129 122.129 119.924 2.205 18098 9668 1 17 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.265 -0.309 18098 9669 1 17 . 1 1 76 76 ALA C C 76 177.546 177.546 177.638 -0.092 18098 9670 1 17 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.597 1.603 18098 9671 1 17 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.519 -0.294 18098 9672 1 17 . 1 1 76 76 ALA H H 76 8.761 8.761 7.589 1.172 18098 9673 1 17 . 1 1 77 77 THR N N 77 102.584 102.584 109.288 -6.704 18098 9674 1 17 . 1 1 77 77 THR HA H 77 4.192 4.192 4.274 -0.082 18098 9675 1 17 . 1 1 77 77 THR C C 77 173.425 173.425 174.716 -1.291 18098 9676 1 17 . 1 1 77 77 THR CA C 77 60.767 60.767 59.765 1.002 18098 9677 1 17 . 1 1 77 77 THR CB C 77 69.573 69.573 70.133 -0.560 18098 9678 1 17 . 1 1 77 77 THR H H 77 7.411 7.411 7.323 0.088 18098 9679 1 17 . 1 1 78 78 LYS N N 78 116.069 116.069 121.333 -5.264 18098 9680 1 17 . 1 1 78 78 LYS HA H 78 2.830 2.830 4.228 -1.398 18098 9681 1 17 . 1 1 78 78 LYS C C 78 174.514 174.514 175.305 -0.791 18098 9682 1 17 . 1 1 78 78 LYS CA C 78 57.242 57.242 55.691 1.551 18098 9683 1 17 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.613 -2.280 18098 9684 1 17 . 1 1 78 78 LYS H H 78 7.420 7.420 8.409 -0.989 18098 9685 1 17 . 1 1 79 79 ASN N N 79 120.318 120.318 121.036 -0.718 18098 9686 1 17 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.700 0.097 18098 9687 1 17 . 1 1 79 79 ASN C C 79 175.581 175.581 173.977 1.604 18098 9688 1 17 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.995 -2.400 18098 9689 1 17 . 1 1 79 79 ASN CB C 79 36.999 36.999 38.987 -1.988 18098 9690 1 17 . 1 1 79 79 ASN H H 79 8.828 8.828 7.093 1.735 18098 9691 1 17 . 1 1 80 80 PHE N N 80 120.545 120.545 120.104 0.441 18098 9692 1 17 . 1 1 80 80 PHE HA H 80 4.869 4.869 5.088 -0.219 18098 9693 1 17 . 1 1 80 80 PHE C C 80 177.311 177.311 176.779 0.532 18098 9694 1 17 . 1 1 80 80 PHE CA C 80 56.745 56.745 57.687 -0.942 18098 9695 1 17 . 1 1 80 80 PHE CB C 80 38.211 38.211 39.381 -1.170 18098 9696 1 17 . 1 1 80 80 PHE H H 80 7.581 7.581 8.290 -0.709 18098 9697 1 17 . 1 1 81 81 LYS N N 81 118.568 118.568 119.842 -1.274 18098 9698 1 17 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.151 -0.090 18098 9699 1 17 . 1 1 81 81 LYS C C 81 177.845 177.845 177.422 0.423 18098 9700 1 17 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.850 -0.342 18098 9701 1 17 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.816 0.275 18098 9702 1 17 . 1 1 81 81 LYS H H 81 7.999 7.999 8.190 -0.191 18098 9703 1 17 . 1 1 82 82 THR N N 82 111.828 111.828 111.747 0.081 18098 9704 1 17 . 1 1 82 82 THR HA H 82 4.098 4.098 4.206 -0.108 18098 9705 1 17 . 1 1 82 82 THR C C 82 174.556 174.556 174.634 -0.078 18098 9706 1 17 . 1 1 82 82 THR CA C 82 63.796 63.796 62.028 1.768 18098 9707 1 17 . 1 1 82 82 THR CB C 82 68.509 68.509 69.180 -0.671 18098 9708 1 17 . 1 1 82 82 THR H H 82 7.419 7.419 7.888 -0.469 18098 9709 1 17 . 1 1 83 83 SER N N 83 115.546 115.546 118.743 -3.197 18098 9710 1 17 . 1 1 83 83 SER HA H 83 5.000 5.000 5.057 -0.057 18098 9711 1 17 . 1 1 83 83 SER C C 83 170.371 170.371 172.356 -1.985 18098 9712 1 17 . 1 1 83 83 SER CA C 83 54.673 54.673 56.481 -1.808 18098 9713 1 17 . 1 1 83 83 SER CB C 83 63.763 63.763 64.561 -0.798 18098 9714 1 17 . 1 1 83 83 SER H H 83 7.312 7.312 7.867 -0.555 18098 9715 1 17 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.692 -0.137 18098 9716 1 17 . 1 1 84 84 PRO C C 84 176.855 176.855 176.746 0.109 18098 9717 1 17 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.830 -0.290 18098 9718 1 17 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.386 -0.303 18098 9719 1 17 . 1 1 85 85 LEU N N 85 125.147 125.147 123.997 1.150 18098 9720 1 17 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.247 -0.434 18098 9721 1 17 . 1 1 85 85 LEU C C 85 175.168 175.168 175.228 -0.060 18098 9722 1 17 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.147 0.190 18098 9723 1 17 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.658 0.702 18098 9724 1 17 . 1 1 85 85 LEU H H 85 8.171 8.171 8.408 -0.237 18098 9725 1 17 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.633 -0.125 18098 9726 1 17 . 1 1 86 86 PRO C C 86 177.111 177.111 176.526 0.585 18098 9727 1 17 . 1 1 86 86 PRO CA C 86 62.261 62.261 61.899 0.362 18098 9728 1 17 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.905 -0.130 18098 9729 1 17 . 1 1 87 87 ASP N N 87 123.224 123.224 120.419 2.805 18098 9730 1 17 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.149 0.006 18098 9731 1 17 . 1 1 87 87 ASP C C 87 178.392 178.392 177.756 0.636 18098 9732 1 17 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.745 -0.246 18098 9733 1 17 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.579 -0.459 18098 9734 1 17 . 1 1 87 87 ASP H H 87 8.649 8.649 8.519 0.130 18098 9735 1 17 . 1 1 88 88 LYS N N 88 115.960 115.960 116.401 -0.441 18098 9736 1 17 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.792 0.039 18098 9737 1 17 . 1 1 88 88 LYS C C 88 176.585 176.585 176.341 0.244 18098 9738 1 17 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.099 0.160 18098 9739 1 17 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.544 0.190 18098 9740 1 17 . 1 1 88 88 LYS H H 88 8.344 8.344 8.153 0.191 18098 9741 1 17 . 1 1 89 89 TRP N N 89 116.821 116.821 117.084 -0.263 18098 9742 1 17 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.723 0.091 18098 9743 1 17 . 1 1 89 89 TRP C C 89 176.329 176.329 178.086 -1.757 18098 9744 1 17 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.379 -0.232 18098 9745 1 17 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.342 1.160 18098 9746 1 17 . 1 1 89 89 TRP H H 89 7.145 7.145 7.104 0.041 18098 9747 1 17 . 1 1 90 90 ALA N N 90 122.680 122.680 124.105 -1.425 18098 9748 1 17 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.044 -0.178 18098 9749 1 17 . 1 1 90 90 ALA C C 90 177.965 177.965 177.303 0.662 18098 9750 1 17 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.447 0.265 18098 9751 1 17 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.600 -0.221 18098 9752 1 17 . 1 1 90 90 ALA H H 90 7.456 7.456 7.613 -0.157 18098 9753 1 17 . 1 1 91 91 ASN N N 91 114.054 114.054 112.682 1.372 18098 9754 1 17 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.763 0.052 18098 9755 1 17 . 1 1 91 91 ASN C C 91 174.727 174.727 174.719 0.008 18098 9756 1 17 . 1 1 91 91 ASN CA C 91 52.389 52.389 51.681 0.708 18098 9757 1 17 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.676 0.031 18098 9758 1 17 . 1 1 91 91 ASN H H 91 8.318 8.318 7.963 0.355 18098 9759 1 17 . 1 1 92 92 SER N N 92 113.359 113.359 116.849 -3.490 18098 9760 1 17 . 1 1 92 92 SER HA H 92 4.649 4.649 4.453 0.196 18098 9761 1 17 . 1 1 92 92 SER C C 92 177.033 177.033 175.341 1.692 18098 9762 1 17 . 1 1 92 92 SER CA C 92 57.599 57.599 58.081 -0.482 18098 9763 1 17 . 1 1 92 92 SER CB C 92 64.454 64.454 64.262 0.192 18098 9764 1 17 . 1 1 92 92 SER H H 92 7.255 7.255 7.501 -0.246 18098 9765 1 17 . 1 1 93 93 LYS N N 93 133.672 133.672 129.431 4.241 18098 9766 1 17 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.174 -0.044 18098 9767 1 17 . 1 1 93 93 LYS C C 93 178.763 178.763 177.959 0.804 18098 9768 1 17 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.093 0.036 18098 9769 1 17 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.535 -0.452 18098 9770 1 17 . 1 1 93 93 LYS H H 93 9.608 9.608 8.918 0.690 18098 9771 1 17 . 1 1 94 94 LEU N N 94 122.086 122.086 120.910 1.176 18098 9772 1 17 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.163 0.188 18098 9773 1 17 . 1 1 94 94 LEU C C 94 178.663 178.663 178.285 0.378 18098 9774 1 17 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.167 -0.931 18098 9775 1 17 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.811 -0.650 18098 9776 1 17 . 1 1 94 94 LEU H H 94 8.000 8.000 8.162 -0.162 18098 9777 1 17 . 1 1 95 95 LEU N N 95 118.720 118.720 119.013 -0.293 18098 9778 1 17 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.922 0.003 18098 9779 1 17 . 1 1 95 95 LEU C C 95 178.530 178.530 178.394 0.136 18098 9780 1 17 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.044 -0.663 18098 9781 1 17 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.751 -0.827 18098 9782 1 17 . 1 1 95 95 LEU H H 95 7.997 7.997 7.866 0.131 18098 9783 1 17 . 1 1 96 96 LYS N N 96 117.880 117.880 118.795 -0.915 18098 9784 1 17 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.955 0.301 18098 9785 1 17 . 1 1 96 96 LYS C C 96 179.147 179.147 179.326 -0.179 18098 9786 1 17 . 1 1 96 96 LYS CA C 96 59.462 59.462 60.047 -0.585 18098 9787 1 17 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.053 -0.133 18098 9788 1 17 . 1 1 96 96 LYS H H 96 7.341 7.341 7.582 -0.241 18098 9789 1 17 . 1 1 97 97 GLN N N 97 119.660 119.660 118.421 1.239 18098 9790 1 17 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.268 -0.074 18098 9791 1 17 . 1 1 97 97 GLN C C 97 179.040 179.040 178.763 0.277 18098 9792 1 17 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.482 0.600 18098 9793 1 17 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.498 0.549 18098 9794 1 17 . 1 1 97 97 GLN H H 97 8.007 8.007 8.210 -0.203 18098 9795 1 17 . 1 1 98 98 LEU N N 98 122.983 122.983 121.530 1.453 18098 9796 1 17 . 1 1 98 98 LEU HA H 98 3.851 3.851 4.132 -0.281 18098 9797 1 17 . 1 1 98 98 LEU C C 98 178.841 178.841 178.746 0.095 18098 9798 1 17 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.628 0.453 18098 9799 1 17 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.508 0.388 18098 9800 1 17 . 1 1 98 98 LEU H H 98 8.425 8.425 8.086 0.339 18098 9801 1 17 . 1 1 99 99 GLN N N 99 119.099 119.099 119.150 -0.051 18098 9802 1 17 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.367 0.273 18098 9803 1 17 . 1 1 99 99 GLN C C 99 179.660 179.660 178.984 0.676 18098 9804 1 17 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.980 -1.163 18098 9805 1 17 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.856 -1.439 18098 9806 1 17 . 1 1 99 99 GLN H H 99 8.594 8.594 8.434 0.160 18098 9807 1 17 . 1 1 100 100 GLU N N 100 120.803 120.803 120.186 0.617 18098 9808 1 17 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.121 -0.010 18098 9809 1 17 . 1 1 100 100 GLU C C 100 178.870 178.870 179.159 -0.289 18098 9810 1 17 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.317 0.132 18098 9811 1 17 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.716 -0.336 18098 9812 1 17 . 1 1 100 100 GLU H H 100 8.353 8.353 8.118 0.235 18098 9813 1 17 . 1 1 101 101 PHE N N 101 120.752 120.752 120.009 0.743 18098 9814 1 17 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.442 0.031 18098 9815 1 17 . 1 1 101 101 PHE C C 101 177.289 177.289 177.037 0.252 18098 9816 1 17 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.875 0.242 18098 9817 1 17 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.717 -0.014 18098 9818 1 17 . 1 1 101 101 PHE H H 101 8.544 8.544 8.232 0.312 18098 9819 1 17 . 1 1 102 102 SER N N 102 112.889 112.889 114.335 -1.446 18098 9820 1 17 . 1 1 102 102 SER HA H 102 3.821 3.821 4.021 -0.200 18098 9821 1 17 . 1 1 102 102 SER C C 102 176.414 176.414 176.940 -0.526 18098 9822 1 17 . 1 1 102 102 SER CA C 102 61.123 61.123 60.943 0.180 18098 9823 1 17 . 1 1 102 102 SER CB C 102 63.193 63.193 63.307 -0.114 18098 9824 1 17 . 1 1 102 102 SER H H 102 8.314 8.314 8.263 0.051 18098 9825 1 17 . 1 1 103 103 GLU N N 103 118.066 118.066 120.600 -2.534 18098 9826 1 17 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.202 -0.088 18098 9827 1 17 . 1 1 103 103 GLU C C 103 177.375 177.375 177.264 0.111 18098 9828 1 17 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.513 -0.712 18098 9829 1 17 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.435 0.591 18098 9830 1 17 . 1 1 103 103 GLU H H 103 7.809 7.809 7.858 -0.049 18098 9831 1 17 . 1 1 104 104 ASN N N 104 117.241 117.241 117.362 -0.121 18098 9832 1 17 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.810 -0.163 18098 9833 1 17 . 1 1 104 104 ASN C C 104 175.752 175.752 174.670 1.082 18098 9834 1 17 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.012 0.727 18098 9835 1 17 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.464 0.158 18098 9836 1 17 . 1 1 104 104 ASN H H 104 7.917 7.917 7.562 0.355 18098 9837 1 17 . 1 1 105 105 LYS N N 105 121.903 121.903 121.393 0.510 18098 9838 1 17 . 1 1 105 105 LYS HA H 105 4.068 4.068 4.095 -0.027 18098 9839 1 17 . 1 1 105 105 LYS C C 105 177.311 177.311 176.064 1.247 18098 9840 1 17 . 1 1 105 105 LYS CA C 105 57.374 57.374 56.213 1.161 18098 9841 1 17 . 1 1 105 105 LYS CB C 105 32.037 32.037 30.374 1.663 18098 9842 1 17 . 1 1 105 105 LYS H H 105 8.093 8.093 7.463 0.630 18098 9843 1 17 . 1 1 106 106 GLU N N 106 119.595 119.595 118.354 1.241 18098 9844 1 17 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.344 -0.075 18098 9845 1 17 . 1 1 106 106 GLU C C 106 176.585 176.585 177.045 -0.460 18098 9846 1 17 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.693 -0.002 18098 9847 1 17 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.556 0.144 18098 9848 1 17 . 1 1 106 106 GLU H H 106 8.200 8.200 7.698 0.502 18098 9849 1 17 . 1 1 107 107 LYS N N 107 120.538 120.538 118.167 2.371 18098 9850 1 17 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.294 -0.027 18098 9851 1 17 . 1 1 107 107 LYS C C 107 176.435 176.435 176.329 0.106 18098 9852 1 17 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.701 -0.249 18098 9853 1 17 . 1 1 107 107 LYS CB C 107 33.110 33.110 32.327 0.783 18098 9854 1 17 . 1 1 107 107 LYS H H 107 7.838 7.838 8.493 -0.655 18098 9855 1 17 . 1 1 108 108 GLU N N 108 122.869 122.869 118.683 4.186 18098 9856 1 17 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.652 -0.335 18098 9857 1 17 . 1 1 108 108 GLU C C 108 175.403 175.403 175.459 -0.056 18098 9858 1 17 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.073 1.492 18098 9859 1 17 . 1 1 108 108 GLU CB C 108 30.057 30.057 31.861 -1.804 18098 9860 1 17 . 1 1 108 108 GLU H H 108 8.313 8.313 7.578 0.735 18098 9861 1 18 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.482 0.160 18098 9862 1 18 . 1 1 10 10 HIS C C 10 174.891 174.891 174.497 0.394 18098 9863 1 18 . 1 1 10 10 HIS CA C 10 56.030 56.030 56.078 -0.048 18098 9864 1 18 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.211 -0.098 18098 9865 1 18 . 1 1 11 11 MET N N 11 121.211 121.211 119.318 1.893 18098 9866 1 18 . 1 1 11 11 MET HA H 11 4.417 4.417 4.813 -0.396 18098 9867 1 18 . 1 1 11 11 MET C C 11 175.709 175.709 175.510 0.199 18098 9868 1 18 . 1 1 11 11 MET CA C 11 55.405 55.405 54.834 0.571 18098 9869 1 18 . 1 1 11 11 MET CB C 11 32.776 32.776 35.328 -2.552 18098 9870 1 18 . 1 1 11 11 MET H H 11 8.179 8.179 8.309 -0.130 18098 9871 1 18 . 1 1 12 12 ILE N N 12 122.511 122.511 124.405 -1.894 18098 9872 1 18 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.139 -0.016 18098 9873 1 18 . 1 1 12 12 ILE C C 12 175.809 175.809 175.841 -0.032 18098 9874 1 18 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.457 -0.655 18098 9875 1 18 . 1 1 12 12 ILE CB C 12 38.531 38.531 38.305 0.226 18098 9876 1 18 . 1 1 12 12 ILE H H 12 8.088 8.088 8.495 -0.407 18098 9877 1 18 . 1 1 13 13 LYS N N 13 126.072 126.072 129.021 -2.949 18098 9878 1 18 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.391 -0.063 18098 9879 1 18 . 1 1 13 13 LYS C C 13 176.108 176.108 176.740 -0.632 18098 9880 1 18 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.508 -0.455 18098 9881 1 18 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.719 0.196 18098 9882 1 18 . 1 1 13 13 LYS H H 13 8.381 8.381 8.585 -0.204 18098 9883 1 18 . 1 1 14 14 ARG N N 14 123.714 123.714 124.694 -0.980 18098 9884 1 18 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.395 0.049 18098 9885 1 18 . 1 1 14 14 ARG C C 14 176.428 176.428 175.963 0.465 18098 9886 1 18 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.929 -0.187 18098 9887 1 18 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.003 0.778 18098 9888 1 18 . 1 1 14 14 ARG H H 14 8.484 8.484 8.850 -0.366 18098 9889 1 18 . 1 1 15 15 THR N N 15 115.338 115.338 113.762 1.576 18098 9890 1 18 . 1 1 15 15 THR HA H 15 4.367 4.367 4.188 0.179 18098 9891 1 18 . 1 1 15 15 THR C C 15 174.172 174.172 174.415 -0.243 18098 9892 1 18 . 1 1 15 15 THR CA C 15 61.501 61.501 62.383 -0.882 18098 9893 1 18 . 1 1 15 15 THR CB C 15 69.868 69.868 67.728 2.140 18098 9894 1 18 . 1 1 15 15 THR H H 15 8.279 8.279 7.739 0.540 18098 9895 1 18 . 1 1 16 16 ASN N N 16 120.727 120.727 123.103 -2.376 18098 9896 1 18 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.777 -0.099 18098 9897 1 18 . 1 1 16 16 ASN C C 16 174.482 174.482 173.014 1.468 18098 9898 1 18 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.203 -0.131 18098 9899 1 18 . 1 1 16 16 ASN CB C 16 38.381 38.381 40.865 -2.484 18098 9900 1 18 . 1 1 16 16 ASN H H 16 8.612 8.612 7.970 0.642 18098 9901 1 18 . 1 1 17 17 GLU N N 17 123.790 123.790 124.220 -0.430 18098 9902 1 18 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.732 -0.131 18098 9903 1 18 . 1 1 17 17 GLU C C 17 173.823 173.823 174.641 -0.818 18098 9904 1 18 . 1 1 17 17 GLU CA C 17 53.965 53.965 52.644 1.321 18098 9905 1 18 . 1 1 17 17 GLU CB C 17 31.763 31.763 31.095 0.668 18098 9906 1 18 . 1 1 17 17 GLU H H 17 8.113 8.113 8.580 -0.467 18098 9907 1 18 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.384 0.131 18098 9908 1 18 . 1 1 18 18 PRO C C 18 177.709 177.709 177.657 0.052 18098 9909 1 18 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.302 0.463 18098 9910 1 18 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.550 -0.069 18098 9911 1 18 . 1 1 19 19 LEU N N 19 123.760 123.760 123.025 0.735 18098 9912 1 18 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.050 -0.044 18098 9913 1 18 . 1 1 19 19 LEU C C 19 178.307 178.307 178.359 -0.052 18098 9914 1 18 . 1 1 19 19 LEU CA C 19 58.463 58.463 58.226 0.237 18098 9915 1 18 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.515 0.283 18098 9916 1 18 . 1 1 19 19 LEU H H 19 8.720 8.720 8.547 0.173 18098 9917 1 18 . 1 1 20 20 ASP N N 20 115.650 115.650 117.783 -2.133 18098 9918 1 18 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.334 0.027 18098 9919 1 18 . 1 1 20 20 ASP C C 20 179.531 179.531 178.206 1.325 18098 9920 1 18 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.766 -0.679 18098 9921 1 18 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.727 -1.406 18098 9922 1 18 . 1 1 20 20 ASP H H 20 8.829 8.829 8.864 -0.035 18098 9923 1 18 . 1 1 21 21 LYS N N 21 121.462 121.462 118.913 2.549 18098 9924 1 18 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.080 0.052 18098 9925 1 18 . 1 1 21 21 LYS C C 21 178.421 178.421 178.659 -0.238 18098 9926 1 18 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.844 -0.561 18098 9927 1 18 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.391 -0.410 18098 9928 1 18 . 1 1 21 21 LYS H H 21 7.352 7.352 7.482 -0.130 18098 9929 1 18 . 1 1 22 22 LYS N N 22 123.296 123.296 120.965 2.331 18098 9930 1 18 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.114 -0.124 18098 9931 1 18 . 1 1 22 22 LYS C C 22 178.179 178.179 178.384 -0.205 18098 9932 1 18 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.543 0.311 18098 9933 1 18 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.408 0.379 18098 9934 1 18 . 1 1 22 22 LYS H H 22 8.407 8.407 8.067 0.340 18098 9935 1 18 . 1 1 23 23 ARG N N 23 116.950 116.950 118.880 -1.930 18098 9936 1 18 . 1 1 23 23 ARG HA H 23 3.734 3.734 3.954 -0.220 18098 9937 1 18 . 1 1 23 23 ARG C C 23 177.460 177.460 178.226 -0.766 18098 9938 1 18 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.644 0.861 18098 9939 1 18 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.157 0.110 18098 9940 1 18 . 1 1 23 23 ARG H H 23 8.594 8.594 8.092 0.502 18098 9941 1 18 . 1 1 24 24 ALA N N 24 118.391 118.391 120.309 -1.918 18098 9942 1 18 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.103 -0.059 18098 9943 1 18 . 1 1 24 24 ALA C C 24 180.514 180.514 179.669 0.845 18098 9944 1 18 . 1 1 24 24 ALA CA C 24 55.069 55.069 54.966 0.103 18098 9945 1 18 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.175 -0.241 18098 9946 1 18 . 1 1 24 24 ALA H H 24 7.505 7.505 7.863 -0.358 18098 9947 1 18 . 1 1 25 25 ARG N N 25 120.413 120.413 119.255 1.158 18098 9948 1 18 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.171 0.036 18098 9949 1 18 . 1 1 25 25 ARG C C 25 178.058 178.058 178.715 -0.657 18098 9950 1 18 . 1 1 25 25 ARG CA C 25 59.393 59.393 58.970 0.423 18098 9951 1 18 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.275 -0.663 18098 9952 1 18 . 1 1 25 25 ARG H H 25 8.291 8.291 7.766 0.525 18098 9953 1 18 . 1 1 26 26 LEU N N 26 119.205 119.205 120.524 -1.319 18098 9954 1 18 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.104 0.041 18098 9955 1 18 . 1 1 26 26 LEU C C 26 180.642 180.642 179.318 1.324 18098 9956 1 18 . 1 1 26 26 LEU CA C 26 57.775 57.775 58.077 -0.302 18098 9957 1 18 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.032 -0.332 18098 9958 1 18 . 1 1 26 26 LEU H H 26 8.305 8.305 8.284 0.021 18098 9959 1 18 . 1 1 27 27 ILE N N 27 123.643 123.643 118.553 5.090 18098 9960 1 18 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.778 -0.177 18098 9961 1 18 . 1 1 27 27 ILE C C 27 177.716 177.716 178.607 -0.891 18098 9962 1 18 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.310 0.842 18098 9963 1 18 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.797 0.044 18098 9964 1 18 . 1 1 27 27 ILE H H 27 8.488 8.488 7.782 0.706 18098 9965 1 18 . 1 1 28 28 TYR N N 28 121.443 121.443 120.236 1.207 18098 9966 1 18 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.056 0.159 18098 9967 1 18 . 1 1 28 28 TYR C C 28 178.656 178.656 177.576 1.080 18098 9968 1 18 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.818 -0.375 18098 9969 1 18 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.547 -0.713 18098 9970 1 18 . 1 1 28 28 TYR H H 28 7.832 7.832 7.722 0.110 18098 9971 1 18 . 1 1 29 29 GLN N N 29 115.999 115.999 117.235 -1.236 18098 9972 1 18 . 1 1 29 29 GLN HA H 29 3.861 3.861 4.004 -0.143 18098 9973 1 18 . 1 1 29 29 GLN C C 29 178.537 178.537 178.275 0.262 18098 9974 1 18 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.075 0.122 18098 9975 1 18 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.716 0.572 18098 9976 1 18 . 1 1 29 29 GLN H H 29 8.965 8.965 8.165 0.800 18098 9977 1 18 . 1 1 30 30 SER N N 30 115.599 115.599 116.052 -0.453 18098 9978 1 18 . 1 1 30 30 SER HA H 30 4.100 4.100 4.204 -0.104 18098 9979 1 18 . 1 1 30 30 SER C C 30 171.004 171.004 176.064 -5.060 18098 9980 1 18 . 1 1 30 30 SER CA C 30 61.818 61.818 62.316 -0.498 18098 9981 1 18 . 1 1 30 30 SER CB C 30 63.196 63.196 63.199 -0.003 18098 9982 1 18 . 1 1 30 30 SER H H 30 7.643 7.643 8.127 -0.484 18098 9983 1 18 . 1 1 31 31 ARG N N 31 114.000 114.000 118.733 -4.733 18098 9984 1 18 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.496 0.130 18098 9985 1 18 . 1 1 31 31 ARG C C 31 176.556 176.556 176.493 0.063 18098 9986 1 18 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.843 -1.833 18098 9987 1 18 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.751 -0.092 18098 9988 1 18 . 1 1 31 31 ARG H H 31 6.987 6.987 7.242 -0.255 18098 9989 1 18 . 1 1 32 32 LYS N N 32 120.507 120.507 121.461 -0.954 18098 9990 1 18 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.248 0.257 18098 9991 1 18 . 1 1 32 32 LYS C C 32 176.577 176.577 175.517 1.060 18098 9992 1 18 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.911 -1.720 18098 9993 1 18 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.731 -1.661 18098 9994 1 18 . 1 1 32 32 LYS H H 32 7.245 7.245 7.293 -0.048 18098 9995 1 18 . 1 1 33 33 ARG N N 33 119.630 119.630 122.398 -2.768 18098 9996 1 18 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.388 0.088 18098 9997 1 18 . 1 1 33 33 ARG C C 33 177.289 177.289 176.358 0.931 18098 9998 1 18 . 1 1 33 33 ARG CA C 33 52.389 52.389 55.253 -2.864 18098 9999 1 18 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.839 -5.496 18098 10000 1 18 . 1 1 33 33 ARG H H 33 8.831 8.831 8.218 0.613 18098 10001 1 18 . 1 1 34 34 GLY N N 34 107.776 107.776 109.500 -1.724 18098 10002 1 18 . 1 1 34 34 GLY CA C 34 45.913 45.913 46.115 -0.203 18098 10003 1 18 . 1 1 34 34 GLY H H 34 8.652 8.652 8.556 0.096 18098 10004 1 18 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.192 0.154 18098 10005 1 18 . 1 1 35 35 ILE C C 35 175.624 175.624 175.736 -0.112 18098 10006 1 18 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.359 -1.355 18098 10007 1 18 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.267 -1.384 18098 10008 1 18 . 1 1 35 35 ILE H H 35 6.841 6.841 7.079 -0.238 18098 10009 1 18 . 1 1 36 36 LEU N N 36 128.200 128.200 123.594 4.606 18098 10010 1 18 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.072 -0.132 18098 10011 1 18 . 1 1 36 36 LEU C C 36 177.994 177.994 178.572 -0.578 18098 10012 1 18 . 1 1 36 36 LEU CA C 36 58.018 58.018 56.765 1.253 18098 10013 1 18 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.234 1.649 18098 10014 1 18 . 1 1 36 36 LEU H H 36 8.518 8.518 8.594 -0.076 18098 10015 1 18 . 1 1 37 37 GLU N N 37 118.515 118.515 118.600 -0.085 18098 10016 1 18 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.870 -0.330 18098 10017 1 18 . 1 1 37 37 GLU C C 37 179.332 179.332 178.372 0.960 18098 10018 1 18 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.732 1.775 18098 10019 1 18 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.282 -0.547 18098 10020 1 18 . 1 1 37 37 GLU H H 37 9.964 9.964 8.168 1.796 18098 10021 1 18 . 1 1 38 38 THR N N 38 111.283 111.283 113.588 -2.305 18098 10022 1 18 . 1 1 38 38 THR HA H 38 3.867 3.867 3.989 -0.122 18098 10023 1 18 . 1 1 38 38 THR C C 38 175.061 175.061 176.008 -0.947 18098 10024 1 18 . 1 1 38 38 THR CA C 38 65.735 65.735 66.558 -0.823 18098 10025 1 18 . 1 1 38 38 THR CB C 38 67.623 67.623 68.234 -0.611 18098 10026 1 18 . 1 1 38 38 THR H H 38 6.425 6.425 7.673 -1.248 18098 10027 1 18 . 1 1 39 39 ASP N N 39 124.325 124.325 123.249 1.076 18098 10028 1 18 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.349 0.164 18098 10029 1 18 . 1 1 39 39 ASP C C 39 179.225 179.225 178.259 0.966 18098 10030 1 18 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.427 -0.329 18098 10031 1 18 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.800 1.083 18098 10032 1 18 . 1 1 39 39 ASP H H 39 7.997 7.997 7.570 0.427 18098 10033 1 18 . 1 1 40 40 LEU N N 40 118.757 118.757 119.423 -0.666 18098 10034 1 18 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.026 -0.015 18098 10035 1 18 . 1 1 40 40 LEU C C 40 180.528 180.528 179.294 1.234 18098 10036 1 18 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.545 0.547 18098 10037 1 18 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.830 -0.032 18098 10038 1 18 . 1 1 40 40 LEU H H 40 8.623 8.623 7.666 0.957 18098 10039 1 18 . 1 1 41 41 LEU N N 41 119.923 119.923 120.741 -0.818 18098 10040 1 18 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.156 0.237 18098 10041 1 18 . 1 1 41 41 LEU C C 41 177.631 177.631 178.606 -0.975 18098 10042 1 18 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.170 0.187 18098 10043 1 18 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.033 1.306 18098 10044 1 18 . 1 1 41 41 LEU H H 41 7.382 7.382 7.308 0.074 18098 10045 1 18 . 1 1 42 42 LEU N N 42 115.623 115.623 117.943 -2.320 18098 10046 1 18 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.032 0.241 18098 10047 1 18 . 1 1 42 42 LEU C C 42 179.489 179.489 179.304 0.185 18098 10048 1 18 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.980 -0.411 18098 10049 1 18 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.573 -1.089 18098 10050 1 18 . 1 1 42 42 LEU H H 42 8.963 8.963 8.479 0.484 18098 10051 1 18 . 1 1 43 43 SER N N 43 115.349 115.349 115.519 -0.170 18098 10052 1 18 . 1 1 43 43 SER HA H 43 4.039 4.039 4.235 -0.196 18098 10053 1 18 . 1 1 43 43 SER C C 43 178.200 178.200 177.134 1.066 18098 10054 1 18 . 1 1 43 43 SER CA C 43 62.665 62.665 62.977 -0.312 18098 10055 1 18 . 1 1 43 43 SER CB C 43 62.476 62.476 62.850 -0.374 18098 10056 1 18 . 1 1 43 43 SER H H 43 8.535 8.535 8.478 0.057 18098 10057 1 18 . 1 1 44 44 GLY N N 44 110.034 110.034 109.529 0.505 18098 10058 1 18 . 1 1 44 44 GLY C C 44 175.624 175.624 175.570 0.054 18098 10059 1 18 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.867 0.277 18098 10060 1 18 . 1 1 44 44 GLY H H 44 7.812 7.812 7.763 0.049 18098 10061 1 18 . 1 1 45 45 PHE N N 45 125.487 125.487 122.691 2.796 18098 10062 1 18 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.298 -0.360 18098 10063 1 18 . 1 1 45 45 PHE C C 45 177.482 177.482 176.467 1.015 18098 10064 1 18 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.753 0.492 18098 10065 1 18 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.840 1.079 18098 10066 1 18 . 1 1 45 45 PHE H H 45 8.542 8.542 7.886 0.656 18098 10067 1 18 . 1 1 46 46 ALA N N 46 121.034 121.034 121.611 -0.577 18098 10068 1 18 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.832 -0.100 18098 10069 1 18 . 1 1 46 46 ALA C C 46 179.916 179.916 178.970 0.946 18098 10070 1 18 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.681 0.028 18098 10071 1 18 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.133 -0.036 18098 10072 1 18 . 1 1 46 46 ALA H H 46 9.262 9.262 8.209 1.053 18098 10073 1 18 . 1 1 47 47 ALA N N 47 117.642 117.642 120.951 -3.309 18098 10074 1 18 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.082 -0.111 18098 10075 1 18 . 1 1 47 47 ALA C C 47 178.250 178.250 178.880 -0.630 18098 10076 1 18 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.606 -0.223 18098 10077 1 18 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.472 -0.271 18098 10078 1 18 . 1 1 47 47 ALA H H 47 7.481 7.481 7.707 -0.226 18098 10079 1 18 . 1 1 48 48 LYS N N 48 115.388 115.388 117.767 -2.379 18098 10080 1 18 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.053 0.047 18098 10081 1 18 . 1 1 48 48 LYS C C 48 177.845 177.845 178.407 -0.562 18098 10082 1 18 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.756 -0.996 18098 10083 1 18 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.001 0.785 18098 10084 1 18 . 1 1 48 48 LYS H H 48 7.056 7.056 7.605 -0.549 18098 10085 1 18 . 1 1 49 49 TYR N N 49 112.714 112.714 117.104 -4.390 18098 10086 1 18 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.031 0.265 18098 10087 1 18 . 1 1 49 49 TYR C C 49 178.272 178.272 178.506 -0.234 18098 10088 1 18 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.342 -1.219 18098 10089 1 18 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.032 2.228 18098 10090 1 18 . 1 1 49 49 TYR H H 49 7.941 7.941 7.922 0.019 18098 10091 1 18 . 1 1 50 50 LEU N N 50 120.890 120.890 118.148 2.742 18098 10092 1 18 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.954 0.021 18098 10093 1 18 . 1 1 50 50 LEU C C 50 180.108 180.108 178.020 2.088 18098 10094 1 18 . 1 1 50 50 LEU CA C 50 59.709 59.709 56.833 2.876 18098 10095 1 18 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.373 -0.536 18098 10096 1 18 . 1 1 50 50 LEU H H 50 7.945 7.945 7.593 0.352 18098 10097 1 18 . 1 1 51 51 LYS N N 51 115.335 115.335 117.764 -2.429 18098 10098 1 18 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.076 -0.218 18098 10099 1 18 . 1 1 51 51 LYS C C 51 176.051 176.051 177.203 -1.152 18098 10100 1 18 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.198 0.607 18098 10101 1 18 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.393 -0.886 18098 10102 1 18 . 1 1 51 51 LYS H H 51 8.463 8.463 8.159 0.304 18098 10103 1 18 . 1 1 52 52 LYS N N 52 115.175 115.175 116.157 -0.982 18098 10104 1 18 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.390 0.020 18098 10105 1 18 . 1 1 52 52 LYS C C 52 176.777 176.777 175.528 1.249 18098 10106 1 18 . 1 1 52 52 LYS CA C 52 55.085 55.085 55.393 -0.308 18098 10107 1 18 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.355 -0.239 18098 10108 1 18 . 1 1 52 52 LYS H H 52 7.232 7.232 7.658 -0.426 18098 10109 1 18 . 1 1 53 53 MET N N 53 120.127 120.127 120.904 -0.777 18098 10110 1 18 . 1 1 53 53 MET HA H 53 4.485 4.485 4.383 0.102 18098 10111 1 18 . 1 1 53 53 MET C C 53 176.179 176.179 174.979 1.200 18098 10112 1 18 . 1 1 53 53 MET CA C 53 57.091 57.091 55.816 1.275 18098 10113 1 18 . 1 1 53 53 MET CB C 53 34.125 34.125 33.454 0.671 18098 10114 1 18 . 1 1 53 53 MET H H 53 7.175 7.175 7.432 -0.257 18098 10115 1 18 . 1 1 54 54 ASN N N 54 120.819 120.819 123.741 -2.922 18098 10116 1 18 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.780 -0.015 18098 10117 1 18 . 1 1 54 54 ASN C C 54 175.154 175.154 176.173 -1.019 18098 10118 1 18 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.498 -1.557 18098 10119 1 18 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.277 -0.742 18098 10120 1 18 . 1 1 54 54 ASN H H 54 9.045 9.045 8.520 0.525 18098 10121 1 18 . 1 1 55 55 GLU N N 55 116.971 116.971 121.410 -4.439 18098 10122 1 18 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.972 -0.148 18098 10123 1 18 . 1 1 55 55 GLU C C 55 178.122 178.122 178.293 -0.171 18098 10124 1 18 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.194 1.058 18098 10125 1 18 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.472 0.197 18098 10126 1 18 . 1 1 55 55 GLU H H 55 8.891 8.891 8.929 -0.038 18098 10127 1 18 . 1 1 56 56 GLU N N 56 119.652 119.652 118.514 1.138 18098 10128 1 18 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.103 0.034 18098 10129 1 18 . 1 1 56 56 GLU C C 56 179.937 179.937 178.635 1.302 18098 10130 1 18 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.238 0.578 18098 10131 1 18 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.879 0.203 18098 10132 1 18 . 1 1 56 56 GLU H H 56 8.366 8.366 8.629 -0.263 18098 10133 1 18 . 1 1 57 57 GLU N N 57 122.119 122.119 119.049 3.070 18098 10134 1 18 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.228 0.037 18098 10135 1 18 . 1 1 57 57 GLU C C 57 179.332 179.332 179.101 0.231 18098 10136 1 18 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.512 0.647 18098 10137 1 18 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.159 0.141 18098 10138 1 18 . 1 1 57 57 GLU H H 57 8.491 8.491 8.377 0.114 18098 10139 1 18 . 1 1 58 58 LEU N N 58 119.424 119.424 119.075 0.349 18098 10140 1 18 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.208 -0.072 18098 10141 1 18 . 1 1 58 58 LEU C C 58 179.218 179.218 179.258 -0.040 18098 10142 1 18 . 1 1 58 58 LEU CA C 58 57.685 57.685 57.713 -0.028 18098 10143 1 18 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.677 0.173 18098 10144 1 18 . 1 1 58 58 LEU H H 58 8.693 8.693 8.290 0.403 18098 10145 1 18 . 1 1 59 59 GLU N N 59 118.813 118.813 118.021 0.792 18098 10146 1 18 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.106 0.194 18098 10147 1 18 . 1 1 59 59 GLU C C 59 179.361 179.361 179.195 0.166 18098 10148 1 18 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.493 -0.454 18098 10149 1 18 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.987 0.118 18098 10150 1 18 . 1 1 59 59 GLU H H 59 8.009 8.009 7.691 0.318 18098 10151 1 18 . 1 1 60 60 GLU N N 60 121.472 121.472 120.829 0.643 18098 10152 1 18 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.211 0.045 18098 10153 1 18 . 1 1 60 60 GLU C C 60 178.451 178.451 178.723 -0.272 18098 10154 1 18 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.876 0.773 18098 10155 1 18 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.308 0.456 18098 10156 1 18 . 1 1 60 60 GLU H H 60 7.867 7.867 7.852 0.015 18098 10157 1 18 . 1 1 61 61 TYR N N 61 121.955 121.955 120.086 1.869 18098 10158 1 18 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.342 -0.208 18098 10159 1 18 . 1 1 61 61 TYR C C 61 176.278 176.278 177.462 -1.184 18098 10160 1 18 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.331 0.840 18098 10161 1 18 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.820 -0.630 18098 10162 1 18 . 1 1 61 61 TYR H H 61 8.675 8.675 8.049 0.626 18098 10163 1 18 . 1 1 62 62 ASP N N 62 118.314 118.314 119.353 -1.039 18098 10164 1 18 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.301 -0.038 18098 10165 1 18 . 1 1 62 62 ASP C C 62 178.464 178.464 178.635 -0.171 18098 10166 1 18 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.808 -1.063 18098 10167 1 18 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.703 0.842 18098 10168 1 18 . 1 1 62 62 ASP H H 62 8.481 8.481 8.180 0.301 18098 10169 1 18 . 1 1 63 63 SER N N 63 111.380 111.380 115.770 -4.390 18098 10170 1 18 . 1 1 63 63 SER HA H 63 4.361 4.361 4.194 0.167 18098 10171 1 18 . 1 1 63 63 SER C C 63 178.763 178.763 177.074 1.689 18098 10172 1 18 . 1 1 63 63 SER CA C 63 61.824 61.824 61.282 0.542 18098 10173 1 18 . 1 1 63 63 SER CB C 63 62.830 62.830 63.370 -0.540 18098 10174 1 18 . 1 1 63 63 SER H H 63 7.779 7.779 7.791 -0.012 18098 10175 1 18 . 1 1 64 64 LEU N N 64 127.444 127.444 123.300 4.144 18098 10176 1 18 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.172 -0.116 18098 10177 1 18 . 1 1 64 64 LEU C C 64 177.688 177.688 178.053 -0.365 18098 10178 1 18 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.557 0.494 18098 10179 1 18 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.836 -1.661 18098 10180 1 18 . 1 1 64 64 LEU H H 64 8.616 8.616 7.606 1.010 18098 10181 1 18 . 1 1 65 65 LEU N N 65 114.503 114.503 117.062 -2.559 18098 10182 1 18 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.953 -0.185 18098 10183 1 18 . 1 1 65 65 LEU C C 65 178.506 178.506 178.602 -0.096 18098 10184 1 18 . 1 1 65 65 LEU CA C 65 56.365 56.365 56.639 -0.274 18098 10185 1 18 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.870 -0.407 18098 10186 1 18 . 1 1 65 65 LEU H H 65 7.700 7.700 7.640 0.060 18098 10187 1 18 . 1 1 66 66 ASN N N 66 116.208 116.208 116.567 -0.359 18098 10188 1 18 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.700 0.039 18098 10189 1 18 . 1 1 66 66 ASN C C 66 176.008 176.008 175.643 0.365 18098 10190 1 18 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.929 -0.043 18098 10191 1 18 . 1 1 66 66 ASN CB C 66 39.259 39.259 39.041 0.218 18098 10192 1 18 . 1 1 66 66 ASN H H 66 7.533 7.533 7.709 -0.176 18098 10193 1 18 . 1 1 67 67 GLU N N 67 120.300 120.300 119.839 0.461 18098 10194 1 18 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.440 0.049 18098 10195 1 18 . 1 1 67 67 GLU C C 67 175.410 175.410 175.895 -0.485 18098 10196 1 18 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.387 -0.421 18098 10197 1 18 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.697 -2.277 18098 10198 1 18 . 1 1 67 67 GLU H H 67 7.948 7.948 7.512 0.436 18098 10199 1 18 . 1 1 68 68 LEU N N 68 120.037 120.037 123.288 -3.251 18098 10200 1 18 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.246 -0.116 18098 10201 1 18 . 1 1 68 68 LEU C C 68 178.720 178.720 177.256 1.464 18098 10202 1 18 . 1 1 68 68 LEU CA C 68 54.706 54.706 55.053 -0.346 18098 10203 1 18 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.817 -1.309 18098 10204 1 18 . 1 1 68 68 LEU H H 68 9.451 9.451 8.422 1.029 18098 10205 1 18 . 1 1 69 69 ASP N N 69 120.774 120.774 125.963 -5.189 18098 10206 1 18 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.091 0.086 18098 10207 1 18 . 1 1 69 69 ASP C C 69 179.446 179.446 177.681 1.765 18098 10208 1 18 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.292 1.345 18098 10209 1 18 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.812 1.042 18098 10210 1 18 . 1 1 69 69 ASP H H 69 8.445 8.445 8.591 -0.146 18098 10211 1 18 . 1 1 70 70 TRP N N 70 117.865 117.865 119.984 -2.119 18098 10212 1 18 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.019 0.099 18098 10213 1 18 . 1 1 70 70 TRP C C 70 176.983 176.983 178.207 -1.224 18098 10214 1 18 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.380 -0.277 18098 10215 1 18 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.167 -0.776 18098 10216 1 18 . 1 1 70 70 TRP H H 70 8.809 8.809 7.840 0.969 18098 10217 1 18 . 1 1 71 71 ASP N N 71 116.993 116.993 117.955 -0.962 18098 10218 1 18 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.063 -0.201 18098 10219 1 18 . 1 1 71 71 ASP C C 71 175.218 175.218 177.862 -2.644 18098 10220 1 18 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.965 -0.512 18098 10221 1 18 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.624 -0.901 18098 10222 1 18 . 1 1 71 71 ASP H H 71 6.134 6.134 7.665 -1.531 18098 10223 1 18 . 1 1 72 72 ILE N N 72 115.361 115.361 119.661 -4.300 18098 10224 1 18 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.301 -0.429 18098 10225 1 18 . 1 1 72 72 ILE C C 72 177.097 177.097 177.688 -0.591 18098 10226 1 18 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.836 1.283 18098 10227 1 18 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.652 0.627 18098 10228 1 18 . 1 1 72 72 ILE H H 72 7.302 7.302 7.327 -0.025 18098 10229 1 18 . 1 1 73 73 TYR N N 73 116.121 116.121 120.675 -4.554 18098 10230 1 18 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.970 -0.229 18098 10231 1 18 . 1 1 73 73 TYR C C 73 178.827 178.827 177.508 1.319 18098 10232 1 18 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.893 0.257 18098 10233 1 18 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.436 -0.264 18098 10234 1 18 . 1 1 73 73 TYR H H 73 7.327 7.327 7.534 -0.207 18098 10235 1 18 . 1 1 74 74 TYR N N 74 121.029 121.029 119.339 1.690 18098 10236 1 18 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.189 0.087 18098 10237 1 18 . 1 1 74 74 TYR C C 74 178.165 178.165 178.014 0.151 18098 10238 1 18 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.933 -0.656 18098 10239 1 18 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.735 -1.951 18098 10240 1 18 . 1 1 74 74 TYR H H 74 8.922 8.922 8.038 0.884 18098 10241 1 18 . 1 1 75 75 TRP N N 75 121.118 121.118 118.474 2.644 18098 10242 1 18 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.482 0.273 18098 10243 1 18 . 1 1 75 75 TRP C C 75 180.599 180.599 179.009 1.590 18098 10244 1 18 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.052 -1.282 18098 10245 1 18 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.134 0.277 18098 10246 1 18 . 1 1 75 75 TRP H H 75 9.201 9.201 8.156 1.045 18098 10247 1 18 . 1 1 76 76 ALA N N 76 122.129 122.129 120.299 1.830 18098 10248 1 18 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.487 -0.531 18098 10249 1 18 . 1 1 76 76 ALA C C 76 177.546 177.546 178.996 -1.450 18098 10250 1 18 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.354 0.846 18098 10251 1 18 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.678 0.547 18098 10252 1 18 . 1 1 76 76 ALA H H 76 8.761 8.761 7.528 1.233 18098 10253 1 18 . 1 1 77 77 THR N N 77 102.584 102.584 108.024 -5.440 18098 10254 1 18 . 1 1 77 77 THR HA H 77 4.192 4.192 4.171 0.021 18098 10255 1 18 . 1 1 77 77 THR C C 77 173.425 173.425 174.960 -1.535 18098 10256 1 18 . 1 1 77 77 THR CA C 77 60.767 60.767 61.402 -0.635 18098 10257 1 18 . 1 1 77 77 THR CB C 77 69.573 69.573 68.972 0.601 18098 10258 1 18 . 1 1 77 77 THR H H 77 7.411 7.411 7.518 -0.107 18098 10259 1 18 . 1 1 78 78 LYS N N 78 116.069 116.069 117.548 -1.479 18098 10260 1 18 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.183 -0.353 18098 10261 1 18 . 1 1 78 78 LYS C C 78 174.514 174.514 174.655 -0.141 18098 10262 1 18 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.497 -0.255 18098 10263 1 18 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.702 -2.369 18098 10264 1 18 . 1 1 78 78 LYS H H 78 7.420 7.420 7.327 0.093 18098 10265 1 18 . 1 1 79 79 ASN N N 79 120.318 120.318 118.063 2.255 18098 10266 1 18 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.626 0.171 18098 10267 1 18 . 1 1 79 79 ASN C C 79 175.581 175.581 175.050 0.531 18098 10268 1 18 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.035 -1.440 18098 10269 1 18 . 1 1 79 79 ASN CB C 79 36.999 36.999 38.217 -1.218 18098 10270 1 18 . 1 1 79 79 ASN H H 79 8.828 8.828 7.725 1.103 18098 10271 1 18 . 1 1 80 80 PHE N N 80 120.545 120.545 121.916 -1.371 18098 10272 1 18 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.935 -0.066 18098 10273 1 18 . 1 1 80 80 PHE C C 80 177.311 177.311 176.781 0.530 18098 10274 1 18 . 1 1 80 80 PHE CA C 80 56.745 56.745 57.093 -0.348 18098 10275 1 18 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.683 -0.472 18098 10276 1 18 . 1 1 80 80 PHE H H 80 7.581 7.581 7.474 0.107 18098 10277 1 18 . 1 1 81 81 LYS N N 81 118.568 118.568 120.265 -1.697 18098 10278 1 18 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.039 0.022 18098 10279 1 18 . 1 1 81 81 LYS C C 81 177.845 177.845 177.568 0.277 18098 10280 1 18 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.697 -0.189 18098 10281 1 18 . 1 1 81 81 LYS CB C 81 32.091 32.091 31.954 0.137 18098 10282 1 18 . 1 1 81 81 LYS H H 81 7.999 7.999 7.715 0.284 18098 10283 1 18 . 1 1 82 82 THR N N 82 111.828 111.828 110.730 1.098 18098 10284 1 18 . 1 1 82 82 THR HA H 82 4.098 4.098 4.321 -0.223 18098 10285 1 18 . 1 1 82 82 THR C C 82 174.556 174.556 174.590 -0.034 18098 10286 1 18 . 1 1 82 82 THR CA C 82 63.796 63.796 62.474 1.322 18098 10287 1 18 . 1 1 82 82 THR CB C 82 68.509 68.509 69.636 -1.127 18098 10288 1 18 . 1 1 82 82 THR H H 82 7.419 7.419 8.050 -0.631 18098 10289 1 18 . 1 1 83 83 SER N N 83 115.546 115.546 119.057 -3.511 18098 10290 1 18 . 1 1 83 83 SER HA H 83 5.000 5.000 4.978 0.022 18098 10291 1 18 . 1 1 83 83 SER C C 83 170.371 170.371 172.239 -1.868 18098 10292 1 18 . 1 1 83 83 SER CA C 83 54.673 54.673 56.456 -1.783 18098 10293 1 18 . 1 1 83 83 SER CB C 83 63.763 63.763 64.282 -0.519 18098 10294 1 18 . 1 1 83 83 SER H H 83 7.312 7.312 7.999 -0.687 18098 10295 1 18 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.519 0.036 18098 10296 1 18 . 1 1 84 84 PRO C C 84 176.855 176.855 176.330 0.525 18098 10297 1 18 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.719 -0.179 18098 10298 1 18 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.403 -0.320 18098 10299 1 18 . 1 1 85 85 LEU N N 85 125.147 125.147 121.761 3.386 18098 10300 1 18 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.312 -0.499 18098 10301 1 18 . 1 1 85 85 LEU C C 85 175.168 175.168 175.283 -0.115 18098 10302 1 18 . 1 1 85 85 LEU CA C 85 52.337 52.337 51.520 0.817 18098 10303 1 18 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.675 0.685 18098 10304 1 18 . 1 1 85 85 LEU H H 85 8.171 8.171 7.955 0.216 18098 10305 1 18 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.614 -0.106 18098 10306 1 18 . 1 1 86 86 PRO C C 86 177.111 177.111 177.205 -0.094 18098 10307 1 18 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.188 0.073 18098 10308 1 18 . 1 1 86 86 PRO CB C 86 32.775 32.775 33.203 -0.427 18098 10309 1 18 . 1 1 87 87 ASP N N 87 123.224 123.224 120.985 2.239 18098 10310 1 18 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.160 -0.005 18098 10311 1 18 . 1 1 87 87 ASP C C 87 178.392 178.392 177.834 0.558 18098 10312 1 18 . 1 1 87 87 ASP CA C 87 57.499 57.499 58.288 -0.790 18098 10313 1 18 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.557 -0.437 18098 10314 1 18 . 1 1 87 87 ASP H H 87 8.649 8.649 8.715 -0.066 18098 10315 1 18 . 1 1 88 88 LYS N N 88 115.960 115.960 117.687 -1.727 18098 10316 1 18 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.826 0.005 18098 10317 1 18 . 1 1 88 88 LYS C C 88 176.585 176.585 177.061 -0.476 18098 10318 1 18 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.484 -0.225 18098 10319 1 18 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.482 0.252 18098 10320 1 18 . 1 1 88 88 LYS H H 88 8.344 8.344 8.184 0.160 18098 10321 1 18 . 1 1 89 89 TRP N N 89 116.821 116.821 118.793 -1.972 18098 10322 1 18 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.662 0.152 18098 10323 1 18 . 1 1 89 89 TRP C C 89 176.329 176.329 178.139 -1.810 18098 10324 1 18 . 1 1 89 89 TRP CA C 89 56.147 56.147 57.584 -1.438 18098 10325 1 18 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.524 0.978 18098 10326 1 18 . 1 1 89 89 TRP H H 89 7.145 7.145 7.188 -0.043 18098 10327 1 18 . 1 1 90 90 ALA N N 90 122.680 122.680 123.474 -0.794 18098 10328 1 18 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.887 -0.021 18098 10329 1 18 . 1 1 90 90 ALA C C 90 177.965 177.965 177.989 -0.024 18098 10330 1 18 . 1 1 90 90 ALA CA C 90 54.711 54.711 55.052 -0.341 18098 10331 1 18 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.461 -0.082 18098 10332 1 18 . 1 1 90 90 ALA H H 90 7.456 7.456 8.312 -0.856 18098 10333 1 18 . 1 1 91 91 ASN N N 91 114.054 114.054 113.040 1.014 18098 10334 1 18 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.798 0.017 18098 10335 1 18 . 1 1 91 91 ASN C C 91 174.727 174.727 174.200 0.527 18098 10336 1 18 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.620 -0.231 18098 10337 1 18 . 1 1 91 91 ASN CB C 91 38.707 38.707 39.214 -0.506 18098 10338 1 18 . 1 1 91 91 ASN H H 91 8.318 8.318 7.789 0.529 18098 10339 1 18 . 1 1 92 92 SER N N 92 113.359 113.359 116.074 -2.715 18098 10340 1 18 . 1 1 92 92 SER HA H 92 4.649 4.649 4.630 0.019 18098 10341 1 18 . 1 1 92 92 SER C C 92 177.033 177.033 175.082 1.951 18098 10342 1 18 . 1 1 92 92 SER CA C 92 57.599 57.599 57.584 0.015 18098 10343 1 18 . 1 1 92 92 SER CB C 92 64.454 64.454 65.301 -0.847 18098 10344 1 18 . 1 1 92 92 SER H H 92 7.255 7.255 7.456 -0.201 18098 10345 1 18 . 1 1 93 93 LYS N N 93 133.672 133.672 126.693 6.979 18098 10346 1 18 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.127 0.003 18098 10347 1 18 . 1 1 93 93 LYS C C 93 178.763 178.763 178.063 0.700 18098 10348 1 18 . 1 1 93 93 LYS CA C 93 59.129 59.129 58.858 0.271 18098 10349 1 18 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.007 0.076 18098 10350 1 18 . 1 1 93 93 LYS H H 93 9.608 9.608 9.011 0.597 18098 10351 1 18 . 1 1 94 94 LEU N N 94 122.086 122.086 119.516 2.570 18098 10352 1 18 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.249 0.102 18098 10353 1 18 . 1 1 94 94 LEU C C 94 178.663 178.663 178.446 0.217 18098 10354 1 18 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.051 -0.815 18098 10355 1 18 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.903 -0.742 18098 10356 1 18 . 1 1 94 94 LEU H H 94 8.000 8.000 7.920 0.080 18098 10357 1 18 . 1 1 95 95 LEU N N 95 118.720 118.720 118.792 -0.072 18098 10358 1 18 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.935 -0.010 18098 10359 1 18 . 1 1 95 95 LEU C C 95 178.530 178.530 178.226 0.304 18098 10360 1 18 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.134 -0.753 18098 10361 1 18 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.814 -0.890 18098 10362 1 18 . 1 1 95 95 LEU H H 95 7.997 7.997 7.793 0.204 18098 10363 1 18 . 1 1 96 96 LYS N N 96 117.880 117.880 117.313 0.567 18098 10364 1 18 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.015 0.241 18098 10365 1 18 . 1 1 96 96 LYS C C 96 179.147 179.147 179.290 -0.143 18098 10366 1 18 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.704 -0.242 18098 10367 1 18 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.042 -0.122 18098 10368 1 18 . 1 1 96 96 LYS H H 96 7.341 7.341 7.768 -0.427 18098 10369 1 18 . 1 1 97 97 GLN N N 97 119.660 119.660 117.905 1.755 18098 10370 1 18 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.272 -0.078 18098 10371 1 18 . 1 1 97 97 GLN C C 97 179.040 179.040 178.516 0.524 18098 10372 1 18 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.433 0.649 18098 10373 1 18 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.527 0.520 18098 10374 1 18 . 1 1 97 97 GLN H H 97 8.007 8.007 7.973 0.034 18098 10375 1 18 . 1 1 98 98 LEU N N 98 122.983 122.983 120.918 2.065 18098 10376 1 18 . 1 1 98 98 LEU HA H 98 3.851 3.851 4.170 -0.319 18098 10377 1 18 . 1 1 98 98 LEU C C 98 178.841 178.841 178.877 -0.036 18098 10378 1 18 . 1 1 98 98 LEU CA C 98 58.081 58.081 58.058 0.023 18098 10379 1 18 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.463 0.433 18098 10380 1 18 . 1 1 98 98 LEU H H 98 8.425 8.425 7.417 1.008 18098 10381 1 18 . 1 1 99 99 GLN N N 99 119.099 119.099 118.146 0.953 18098 10382 1 18 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.187 0.453 18098 10383 1 18 . 1 1 99 99 GLN C C 99 179.660 179.660 178.633 1.027 18098 10384 1 18 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.225 -1.409 18098 10385 1 18 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.466 -1.049 18098 10386 1 18 . 1 1 99 99 GLN H H 99 8.594 8.594 8.074 0.520 18098 10387 1 18 . 1 1 100 100 GLU N N 100 120.803 120.803 119.758 1.045 18098 10388 1 18 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.129 -0.018 18098 10389 1 18 . 1 1 100 100 GLU C C 100 178.870 178.870 179.009 -0.139 18098 10390 1 18 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.627 0.822 18098 10391 1 18 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.270 0.110 18098 10392 1 18 . 1 1 100 100 GLU H H 100 8.353 8.353 7.809 0.544 18098 10393 1 18 . 1 1 101 101 PHE N N 101 120.752 120.752 122.437 -1.685 18098 10394 1 18 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.412 0.061 18098 10395 1 18 . 1 1 101 101 PHE C C 101 177.289 177.289 177.148 0.141 18098 10396 1 18 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.144 0.973 18098 10397 1 18 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.871 -0.168 18098 10398 1 18 . 1 1 101 101 PHE H H 101 8.544 8.544 8.181 0.363 18098 10399 1 18 . 1 1 102 102 SER N N 102 112.889 112.889 114.901 -2.012 18098 10400 1 18 . 1 1 102 102 SER HA H 102 3.821 3.821 3.988 -0.167 18098 10401 1 18 . 1 1 102 102 SER C C 102 176.414 176.414 176.276 0.138 18098 10402 1 18 . 1 1 102 102 SER CA C 102 61.123 61.123 61.502 -0.379 18098 10403 1 18 . 1 1 102 102 SER CB C 102 63.193 63.193 62.845 0.348 18098 10404 1 18 . 1 1 102 102 SER H H 102 8.314 8.314 8.158 0.156 18098 10405 1 18 . 1 1 103 103 GLU N N 103 118.066 118.066 119.002 -0.936 18098 10406 1 18 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.125 -0.011 18098 10407 1 18 . 1 1 103 103 GLU C C 103 177.375 177.375 178.875 -1.500 18098 10408 1 18 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.671 -0.870 18098 10409 1 18 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.327 0.699 18098 10410 1 18 . 1 1 103 103 GLU H H 103 7.809 7.809 7.632 0.177 18098 10411 1 18 . 1 1 104 104 ASN N N 104 117.241 117.241 117.627 -0.386 18098 10412 1 18 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.515 0.132 18098 10413 1 18 . 1 1 104 104 ASN C C 104 175.752 175.752 177.184 -1.432 18098 10414 1 18 . 1 1 104 104 ASN CA C 104 53.739 53.739 55.098 -1.359 18098 10415 1 18 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.328 0.294 18098 10416 1 18 . 1 1 104 104 ASN H H 104 7.917 7.917 7.612 0.305 18098 10417 1 18 . 1 1 105 105 LYS N N 105 121.903 121.903 120.422 1.481 18098 10418 1 18 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.939 0.129 18098 10419 1 18 . 1 1 105 105 LYS C C 105 177.311 177.311 177.468 -0.157 18098 10420 1 18 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.359 -0.985 18098 10421 1 18 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.124 -0.087 18098 10422 1 18 . 1 1 105 105 LYS H H 105 8.093 8.093 7.705 0.389 18098 10423 1 18 . 1 1 106 106 GLU N N 106 119.595 119.595 116.957 2.638 18098 10424 1 18 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.447 -0.178 18098 10425 1 18 . 1 1 106 106 GLU C C 106 176.585 176.585 175.065 1.520 18098 10426 1 18 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.565 1.126 18098 10427 1 18 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.172 0.528 18098 10428 1 18 . 1 1 106 106 GLU H H 106 8.200 8.200 7.550 0.650 18098 10429 1 18 . 1 1 107 107 LYS N N 107 120.538 120.538 119.121 1.417 18098 10430 1 18 . 1 1 107 107 LYS HA H 107 4.267 4.267 3.956 0.311 18098 10431 1 18 . 1 1 107 107 LYS C C 107 176.435 176.435 176.419 0.016 18098 10432 1 18 . 1 1 107 107 LYS CA C 107 56.452 56.452 57.330 -0.878 18098 10433 1 18 . 1 1 107 107 LYS CB C 107 33.110 33.110 30.627 2.483 18098 10434 1 18 . 1 1 107 107 LYS H H 107 7.838 7.838 7.534 0.304 18098 10435 1 18 . 1 1 108 108 GLU N N 108 122.869 122.869 117.723 5.146 18098 10436 1 18 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.305 0.012 18098 10437 1 18 . 1 1 108 108 GLU C C 108 175.403 175.403 176.138 -0.735 18098 10438 1 18 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.892 0.673 18098 10439 1 18 . 1 1 108 108 GLU CB C 108 30.057 30.057 29.570 0.487 18098 10440 1 18 . 1 1 108 108 GLU H H 108 8.313 8.313 8.399 -0.086 18098 10441 1 19 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.629 0.013 18098 10442 1 19 . 1 1 10 10 HIS C C 10 174.891 174.891 174.428 0.463 18098 10443 1 19 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.881 0.149 18098 10444 1 19 . 1 1 10 10 HIS CB C 10 30.113 30.113 28.849 1.264 18098 10445 1 19 . 1 1 11 11 MET N N 11 121.211 121.211 119.814 1.397 18098 10446 1 19 . 1 1 11 11 MET HA H 11 4.417 4.417 4.504 -0.087 18098 10447 1 19 . 1 1 11 11 MET C C 11 175.709 175.709 176.995 -1.286 18098 10448 1 19 . 1 1 11 11 MET CA C 11 55.405 55.405 54.951 0.454 18098 10449 1 19 . 1 1 11 11 MET CB C 11 32.776 32.776 33.750 -0.974 18098 10450 1 19 . 1 1 11 11 MET H H 11 8.179 8.179 7.306 0.873 18098 10451 1 19 . 1 1 12 12 ILE N N 12 122.511 122.511 124.664 -2.153 18098 10452 1 19 . 1 1 12 12 ILE HA H 12 4.123 4.123 3.965 0.158 18098 10453 1 19 . 1 1 12 12 ILE C C 12 175.809 175.809 175.960 -0.151 18098 10454 1 19 . 1 1 12 12 ILE CA C 12 60.802 60.802 62.715 -1.913 18098 10455 1 19 . 1 1 12 12 ILE CB C 12 38.531 38.531 36.421 2.110 18098 10456 1 19 . 1 1 12 12 ILE H H 12 8.088 8.088 8.501 -0.413 18098 10457 1 19 . 1 1 13 13 LYS N N 13 126.072 126.072 123.795 2.277 18098 10458 1 19 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.601 -0.273 18098 10459 1 19 . 1 1 13 13 LYS C C 13 176.108 176.108 177.509 -1.401 18098 10460 1 19 . 1 1 13 13 LYS CA C 13 56.053 56.053 55.850 0.203 18098 10461 1 19 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.581 -0.666 18098 10462 1 19 . 1 1 13 13 LYS H H 13 8.381 8.381 8.207 0.174 18098 10463 1 19 . 1 1 14 14 ARG N N 14 123.714 123.714 119.899 3.815 18098 10464 1 19 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.418 0.026 18098 10465 1 19 . 1 1 14 14 ARG C C 14 176.428 176.428 177.271 -0.843 18098 10466 1 19 . 1 1 14 14 ARG CA C 14 55.742 55.742 57.608 -1.866 18098 10467 1 19 . 1 1 14 14 ARG CB C 14 30.781 30.781 29.964 0.817 18098 10468 1 19 . 1 1 14 14 ARG H H 14 8.484 8.484 8.377 0.107 18098 10469 1 19 . 1 1 15 15 THR N N 15 115.338 115.338 113.688 1.650 18098 10470 1 19 . 1 1 15 15 THR HA H 15 4.367 4.367 4.260 0.107 18098 10471 1 19 . 1 1 15 15 THR C C 15 174.172 174.172 174.594 -0.422 18098 10472 1 19 . 1 1 15 15 THR CA C 15 61.501 61.501 63.073 -1.572 18098 10473 1 19 . 1 1 15 15 THR CB C 15 69.868 69.868 68.577 1.291 18098 10474 1 19 . 1 1 15 15 THR H H 15 8.279 8.279 8.021 0.258 18098 10475 1 19 . 1 1 16 16 ASN N N 16 120.727 120.727 120.030 0.697 18098 10476 1 19 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.749 -0.071 18098 10477 1 19 . 1 1 16 16 ASN C C 16 174.482 174.482 174.392 0.090 18098 10478 1 19 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.378 -0.306 18098 10479 1 19 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.657 -0.276 18098 10480 1 19 . 1 1 16 16 ASN H H 16 8.612 8.612 7.854 0.758 18098 10481 1 19 . 1 1 17 17 GLU N N 17 123.790 123.790 120.376 3.414 18098 10482 1 19 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.184 0.417 18098 10483 1 19 . 1 1 17 17 GLU C C 17 173.823 173.823 174.493 -0.670 18098 10484 1 19 . 1 1 17 17 GLU CA C 17 53.965 53.965 56.089 -2.124 18098 10485 1 19 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.625 2.138 18098 10486 1 19 . 1 1 17 17 GLU H H 17 8.113 8.113 8.477 -0.364 18098 10487 1 19 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.548 -0.033 18098 10488 1 19 . 1 1 18 18 PRO C C 18 177.709 177.709 176.881 0.828 18098 10489 1 19 . 1 1 18 18 PRO CA C 18 62.765 62.765 61.883 0.882 18098 10490 1 19 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.541 -0.060 18098 10491 1 19 . 1 1 19 19 LEU N N 19 123.760 123.760 121.944 1.816 18098 10492 1 19 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.105 -0.099 18098 10493 1 19 . 1 1 19 19 LEU C C 19 178.307 178.307 178.381 -0.074 18098 10494 1 19 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.895 0.568 18098 10495 1 19 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.337 0.461 18098 10496 1 19 . 1 1 19 19 LEU H H 19 8.720 8.720 8.640 0.080 18098 10497 1 19 . 1 1 20 20 ASP N N 20 115.650 115.650 118.268 -2.618 18098 10498 1 19 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.444 -0.083 18098 10499 1 19 . 1 1 20 20 ASP C C 20 179.531 179.531 178.679 0.852 18098 10500 1 19 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.874 -0.787 18098 10501 1 19 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.172 -0.851 18098 10502 1 19 . 1 1 20 20 ASP H H 20 8.829 8.829 8.762 0.067 18098 10503 1 19 . 1 1 21 21 LYS N N 21 121.462 121.462 119.661 1.801 18098 10504 1 19 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.024 0.108 18098 10505 1 19 . 1 1 21 21 LYS C C 21 178.421 178.421 178.452 -0.031 18098 10506 1 19 . 1 1 21 21 LYS CA C 21 58.283 58.283 59.329 -1.046 18098 10507 1 19 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.404 -0.423 18098 10508 1 19 . 1 1 21 21 LYS H H 21 7.352 7.352 7.506 -0.154 18098 10509 1 19 . 1 1 22 22 LYS N N 22 123.296 123.296 119.948 3.348 18098 10510 1 19 . 1 1 22 22 LYS HA H 22 3.990 3.990 3.886 0.104 18098 10511 1 19 . 1 1 22 22 LYS C C 22 178.179 178.179 178.417 -0.238 18098 10512 1 19 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.989 -0.135 18098 10513 1 19 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.389 0.398 18098 10514 1 19 . 1 1 22 22 LYS H H 22 8.407 8.407 7.567 0.840 18098 10515 1 19 . 1 1 23 23 ARG N N 23 116.950 116.950 119.220 -2.270 18098 10516 1 19 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.026 -0.292 18098 10517 1 19 . 1 1 23 23 ARG C C 23 177.460 177.460 178.426 -0.966 18098 10518 1 19 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.457 1.048 18098 10519 1 19 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.189 0.078 18098 10520 1 19 . 1 1 23 23 ARG H H 23 8.594 8.594 7.979 0.615 18098 10521 1 19 . 1 1 24 24 ALA N N 24 118.391 118.391 120.605 -2.214 18098 10522 1 19 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.107 -0.063 18098 10523 1 19 . 1 1 24 24 ALA C C 24 180.514 180.514 179.734 0.780 18098 10524 1 19 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.033 0.036 18098 10525 1 19 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.160 -0.226 18098 10526 1 19 . 1 1 24 24 ALA H H 24 7.505 7.505 8.146 -0.641 18098 10527 1 19 . 1 1 25 25 ARG N N 25 120.413 120.413 119.258 1.155 18098 10528 1 19 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.140 0.067 18098 10529 1 19 . 1 1 25 25 ARG C C 25 178.058 178.058 178.696 -0.638 18098 10530 1 19 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.012 0.381 18098 10531 1 19 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.221 -0.609 18098 10532 1 19 . 1 1 25 25 ARG H H 25 8.291 8.291 7.841 0.450 18098 10533 1 19 . 1 1 26 26 LEU N N 26 119.205 119.205 120.430 -1.225 18098 10534 1 19 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.130 0.015 18098 10535 1 19 . 1 1 26 26 LEU C C 26 180.642 180.642 179.233 1.409 18098 10536 1 19 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.992 -0.217 18098 10537 1 19 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.227 -0.527 18098 10538 1 19 . 1 1 26 26 LEU H H 26 8.305 8.305 8.136 0.169 18098 10539 1 19 . 1 1 27 27 ILE N N 27 123.643 123.643 118.662 4.981 18098 10540 1 19 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.828 -0.227 18098 10541 1 19 . 1 1 27 27 ILE C C 27 177.716 177.716 178.586 -0.870 18098 10542 1 19 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.314 0.838 18098 10543 1 19 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.766 0.075 18098 10544 1 19 . 1 1 27 27 ILE H H 27 8.488 8.488 8.174 0.314 18098 10545 1 19 . 1 1 28 28 TYR N N 28 121.443 121.443 121.012 0.431 18098 10546 1 19 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.000 0.215 18098 10547 1 19 . 1 1 28 28 TYR C C 28 178.656 178.656 177.466 1.190 18098 10548 1 19 . 1 1 28 28 TYR CA C 28 61.443 61.443 62.370 -0.927 18098 10549 1 19 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.722 -0.888 18098 10550 1 19 . 1 1 28 28 TYR H H 28 7.832 7.832 7.972 -0.140 18098 10551 1 19 . 1 1 29 29 GLN N N 29 115.999 115.999 116.565 -0.566 18098 10552 1 19 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.978 -0.117 18098 10553 1 19 . 1 1 29 29 GLN C C 29 178.537 178.537 178.224 0.313 18098 10554 1 19 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.520 -0.323 18098 10555 1 19 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.825 0.463 18098 10556 1 19 . 1 1 29 29 GLN H H 29 8.965 8.965 8.316 0.649 18098 10557 1 19 . 1 1 30 30 SER N N 30 115.599 115.599 115.709 -0.110 18098 10558 1 19 . 1 1 30 30 SER HA H 30 4.100 4.100 4.267 -0.167 18098 10559 1 19 . 1 1 30 30 SER C C 30 171.004 171.004 176.004 -5.000 18098 10560 1 19 . 1 1 30 30 SER CA C 30 61.818 61.818 61.636 0.182 18098 10561 1 19 . 1 1 30 30 SER CB C 30 63.196 63.196 63.563 -0.367 18098 10562 1 19 . 1 1 30 30 SER H H 30 7.643 7.643 7.974 -0.331 18098 10563 1 19 . 1 1 31 31 ARG N N 31 114.000 114.000 118.978 -4.978 18098 10564 1 19 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.268 0.358 18098 10565 1 19 . 1 1 31 31 ARG C C 31 176.556 176.556 176.285 0.271 18098 10566 1 19 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.748 -1.738 18098 10567 1 19 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.263 0.396 18098 10568 1 19 . 1 1 31 31 ARG H H 31 6.987 6.987 7.457 -0.470 18098 10569 1 19 . 1 1 32 32 LYS N N 32 120.507 120.507 120.516 -0.009 18098 10570 1 19 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.222 0.283 18098 10571 1 19 . 1 1 32 32 LYS C C 32 176.577 176.577 174.881 1.696 18098 10572 1 19 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.789 -1.598 18098 10573 1 19 . 1 1 32 32 LYS CB C 32 31.070 31.070 33.203 -2.133 18098 10574 1 19 . 1 1 32 32 LYS H H 32 7.245 7.245 7.402 -0.157 18098 10575 1 19 . 1 1 33 33 ARG N N 33 119.630 119.630 122.901 -3.271 18098 10576 1 19 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.487 -0.011 18098 10577 1 19 . 1 1 33 33 ARG C C 33 177.289 177.289 176.138 1.151 18098 10578 1 19 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.282 -1.893 18098 10579 1 19 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.192 -4.849 18098 10580 1 19 . 1 1 33 33 ARG H H 33 8.831 8.831 8.016 0.815 18098 10581 1 19 . 1 1 34 34 GLY N N 34 107.776 107.776 108.490 -0.714 18098 10582 1 19 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.781 0.132 18098 10583 1 19 . 1 1 34 34 GLY H H 34 8.652 8.652 8.355 0.297 18098 10584 1 19 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.263 0.083 18098 10585 1 19 . 1 1 35 35 ILE C C 35 175.624 175.624 175.613 0.011 18098 10586 1 19 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.456 -1.452 18098 10587 1 19 . 1 1 35 35 ILE CB C 35 38.883 38.883 40.313 -1.430 18098 10588 1 19 . 1 1 35 35 ILE H H 35 6.841 6.841 7.093 -0.252 18098 10589 1 19 . 1 1 36 36 LEU N N 36 128.200 128.200 125.076 3.124 18098 10590 1 19 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.303 -0.363 18098 10591 1 19 . 1 1 36 36 LEU C C 36 177.994 177.994 178.041 -0.047 18098 10592 1 19 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.278 0.740 18098 10593 1 19 . 1 1 36 36 LEU CB C 36 41.883 41.883 41.535 0.348 18098 10594 1 19 . 1 1 36 36 LEU H H 36 8.518 8.518 8.693 -0.175 18098 10595 1 19 . 1 1 37 37 GLU N N 37 118.515 118.515 118.573 -0.058 18098 10596 1 19 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.814 -0.274 18098 10597 1 19 . 1 1 37 37 GLU C C 37 179.332 179.332 178.282 1.050 18098 10598 1 19 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.946 1.561 18098 10599 1 19 . 1 1 37 37 GLU CB C 37 27.735 27.735 27.767 -0.032 18098 10600 1 19 . 1 1 37 37 GLU H H 37 9.964 9.964 8.259 1.705 18098 10601 1 19 . 1 1 38 38 THR N N 38 111.283 111.283 114.242 -2.959 18098 10602 1 19 . 1 1 38 38 THR HA H 38 3.867 3.867 4.047 -0.180 18098 10603 1 19 . 1 1 38 38 THR C C 38 175.061 175.061 176.086 -1.025 18098 10604 1 19 . 1 1 38 38 THR CA C 38 65.735 65.735 66.599 -0.864 18098 10605 1 19 . 1 1 38 38 THR CB C 38 67.623 67.623 67.943 -0.320 18098 10606 1 19 . 1 1 38 38 THR H H 38 6.425 6.425 7.338 -0.913 18098 10607 1 19 . 1 1 39 39 ASP N N 39 124.325 124.325 123.669 0.656 18098 10608 1 19 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.550 -0.037 18098 10609 1 19 . 1 1 39 39 ASP C C 39 179.225 179.225 178.667 0.558 18098 10610 1 19 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.713 -0.615 18098 10611 1 19 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.578 1.305 18098 10612 1 19 . 1 1 39 39 ASP H H 39 7.997 7.997 7.643 0.354 18098 10613 1 19 . 1 1 40 40 LEU N N 40 118.757 118.757 119.270 -0.513 18098 10614 1 19 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.037 -0.026 18098 10615 1 19 . 1 1 40 40 LEU C C 40 180.528 180.528 179.465 1.063 18098 10616 1 19 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.411 0.681 18098 10617 1 19 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.807 -0.009 18098 10618 1 19 . 1 1 40 40 LEU H H 40 8.623 8.623 7.850 0.773 18098 10619 1 19 . 1 1 41 41 LEU N N 41 119.923 119.923 120.763 -0.840 18098 10620 1 19 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.182 0.211 18098 10621 1 19 . 1 1 41 41 LEU C C 41 177.631 177.631 178.569 -0.938 18098 10622 1 19 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.168 0.189 18098 10623 1 19 . 1 1 41 41 LEU CB C 41 43.339 43.339 42.079 1.260 18098 10624 1 19 . 1 1 41 41 LEU H H 41 7.382 7.382 7.325 0.057 18098 10625 1 19 . 1 1 42 42 LEU N N 42 115.623 115.623 117.783 -2.160 18098 10626 1 19 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.109 0.164 18098 10627 1 19 . 1 1 42 42 LEU C C 42 179.489 179.489 179.492 -0.003 18098 10628 1 19 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.848 -0.279 18098 10629 1 19 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.594 -1.110 18098 10630 1 19 . 1 1 42 42 LEU H H 42 8.963 8.963 8.445 0.518 18098 10631 1 19 . 1 1 43 43 SER N N 43 115.349 115.349 114.935 0.414 18098 10632 1 19 . 1 1 43 43 SER HA H 43 4.039 4.039 4.283 -0.244 18098 10633 1 19 . 1 1 43 43 SER C C 43 178.200 178.200 177.078 1.122 18098 10634 1 19 . 1 1 43 43 SER CA C 43 62.665 62.665 61.614 1.051 18098 10635 1 19 . 1 1 43 43 SER CB C 43 62.476 62.476 62.850 -0.374 18098 10636 1 19 . 1 1 43 43 SER H H 43 8.535 8.535 8.395 0.140 18098 10637 1 19 . 1 1 44 44 GLY N N 44 110.034 110.034 109.498 0.536 18098 10638 1 19 . 1 1 44 44 GLY C C 44 175.624 175.624 175.835 -0.211 18098 10639 1 19 . 1 1 44 44 GLY CA C 44 47.144 47.144 47.091 0.053 18098 10640 1 19 . 1 1 44 44 GLY H H 44 7.812 7.812 7.762 0.050 18098 10641 1 19 . 1 1 45 45 PHE N N 45 125.487 125.487 122.440 3.047 18098 10642 1 19 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.423 -0.485 18098 10643 1 19 . 1 1 45 45 PHE C C 45 177.482 177.482 176.487 0.995 18098 10644 1 19 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.516 0.729 18098 10645 1 19 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.989 0.930 18098 10646 1 19 . 1 1 45 45 PHE H H 45 8.542 8.542 8.028 0.514 18098 10647 1 19 . 1 1 46 46 ALA N N 46 121.034 121.034 121.828 -0.794 18098 10648 1 19 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.927 -0.195 18098 10649 1 19 . 1 1 46 46 ALA C C 46 179.916 179.916 179.318 0.598 18098 10650 1 19 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.943 -0.235 18098 10651 1 19 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.029 0.068 18098 10652 1 19 . 1 1 46 46 ALA H H 46 9.262 9.262 8.073 1.189 18098 10653 1 19 . 1 1 47 47 ALA N N 47 117.642 117.642 118.987 -1.345 18098 10654 1 19 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.103 -0.132 18098 10655 1 19 . 1 1 47 47 ALA C C 47 178.250 178.250 178.210 0.040 18098 10656 1 19 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.255 0.128 18098 10657 1 19 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.462 -0.261 18098 10658 1 19 . 1 1 47 47 ALA H H 47 7.481 7.481 7.803 -0.322 18098 10659 1 19 . 1 1 48 48 LYS N N 48 115.388 115.388 116.799 -1.411 18098 10660 1 19 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.055 0.045 18098 10661 1 19 . 1 1 48 48 LYS C C 48 177.845 177.845 178.630 -0.785 18098 10662 1 19 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.374 -0.614 18098 10663 1 19 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.129 0.657 18098 10664 1 19 . 1 1 48 48 LYS H H 48 7.056 7.056 7.411 -0.355 18098 10665 1 19 . 1 1 49 49 TYR N N 49 112.714 112.714 117.777 -5.063 18098 10666 1 19 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.057 0.239 18098 10667 1 19 . 1 1 49 49 TYR C C 49 178.272 178.272 177.933 0.339 18098 10668 1 19 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.962 -0.839 18098 10669 1 19 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.181 2.079 18098 10670 1 19 . 1 1 49 49 TYR H H 49 7.941 7.941 7.858 0.083 18098 10671 1 19 . 1 1 50 50 LEU N N 50 120.890 120.890 119.167 1.723 18098 10672 1 19 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.889 0.086 18098 10673 1 19 . 1 1 50 50 LEU C C 50 180.108 180.108 178.805 1.303 18098 10674 1 19 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.899 1.810 18098 10675 1 19 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.062 -0.225 18098 10676 1 19 . 1 1 50 50 LEU H H 50 7.945 7.945 7.653 0.292 18098 10677 1 19 . 1 1 51 51 LYS N N 51 115.335 115.335 116.703 -1.368 18098 10678 1 19 . 1 1 51 51 LYS HA H 51 3.858 3.858 4.000 -0.142 18098 10679 1 19 . 1 1 51 51 LYS C C 51 176.051 176.051 177.821 -1.770 18098 10680 1 19 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.388 0.417 18098 10681 1 19 . 1 1 51 51 LYS CB C 51 31.507 31.507 31.850 -0.343 18098 10682 1 19 . 1 1 51 51 LYS H H 51 8.463 8.463 8.260 0.203 18098 10683 1 19 . 1 1 52 52 LYS N N 52 115.175 115.175 115.643 -0.468 18098 10684 1 19 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.192 0.218 18098 10685 1 19 . 1 1 52 52 LYS C C 52 176.777 176.777 177.463 -0.686 18098 10686 1 19 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.494 -1.409 18098 10687 1 19 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.857 0.259 18098 10688 1 19 . 1 1 52 52 LYS H H 52 7.232 7.232 7.500 -0.268 18098 10689 1 19 . 1 1 53 53 MET N N 53 120.127 120.127 120.760 -0.633 18098 10690 1 19 . 1 1 53 53 MET HA H 53 4.485 4.485 4.551 -0.066 18098 10691 1 19 . 1 1 53 53 MET C C 53 176.179 176.179 174.960 1.219 18098 10692 1 19 . 1 1 53 53 MET CA C 53 57.091 57.091 56.151 0.940 18098 10693 1 19 . 1 1 53 53 MET CB C 53 34.125 34.125 33.768 0.357 18098 10694 1 19 . 1 1 53 53 MET H H 53 7.175 7.175 7.689 -0.514 18098 10695 1 19 . 1 1 54 54 ASN N N 54 120.819 120.819 120.746 0.073 18098 10696 1 19 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.923 -0.158 18098 10697 1 19 . 1 1 54 54 ASN C C 54 175.154 175.154 176.257 -1.103 18098 10698 1 19 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.157 -1.216 18098 10699 1 19 . 1 1 54 54 ASN CB C 54 38.535 38.535 40.916 -2.381 18098 10700 1 19 . 1 1 54 54 ASN H H 54 9.045 9.045 8.679 0.366 18098 10701 1 19 . 1 1 55 55 GLU N N 55 116.971 116.971 120.078 -3.107 18098 10702 1 19 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.965 -0.141 18098 10703 1 19 . 1 1 55 55 GLU C C 55 178.122 178.122 178.251 -0.129 18098 10704 1 19 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.692 0.560 18098 10705 1 19 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.208 0.461 18098 10706 1 19 . 1 1 55 55 GLU H H 55 8.891 8.891 8.912 -0.021 18098 10707 1 19 . 1 1 56 56 GLU N N 56 119.652 119.652 117.484 2.168 18098 10708 1 19 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.128 0.009 18098 10709 1 19 . 1 1 56 56 GLU C C 56 179.937 179.937 179.441 0.496 18098 10710 1 19 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.434 0.382 18098 10711 1 19 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.852 0.230 18098 10712 1 19 . 1 1 56 56 GLU H H 56 8.366 8.366 8.952 -0.586 18098 10713 1 19 . 1 1 57 57 GLU N N 57 122.119 122.119 120.010 2.109 18098 10714 1 19 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.214 0.051 18098 10715 1 19 . 1 1 57 57 GLU C C 57 179.332 179.332 179.391 -0.059 18098 10716 1 19 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.834 0.326 18098 10717 1 19 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.587 -0.287 18098 10718 1 19 . 1 1 57 57 GLU H H 57 8.491 8.491 7.668 0.823 18098 10719 1 19 . 1 1 58 58 LEU N N 58 119.424 119.424 119.472 -0.048 18098 10720 1 19 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.095 0.041 18098 10721 1 19 . 1 1 58 58 LEU C C 58 179.218 179.218 179.054 0.164 18098 10722 1 19 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.139 -0.454 18098 10723 1 19 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.837 0.013 18098 10724 1 19 . 1 1 58 58 LEU H H 58 8.693 8.693 8.224 0.469 18098 10725 1 19 . 1 1 59 59 GLU N N 59 118.813 118.813 117.560 1.253 18098 10726 1 19 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.050 0.250 18098 10727 1 19 . 1 1 59 59 GLU C C 59 179.361 179.361 179.069 0.292 18098 10728 1 19 . 1 1 59 59 GLU CA C 59 59.039 59.039 58.978 0.061 18098 10729 1 19 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.990 0.115 18098 10730 1 19 . 1 1 59 59 GLU H H 59 8.009 8.009 7.941 0.068 18098 10731 1 19 . 1 1 60 60 GLU N N 60 121.472 121.472 120.940 0.532 18098 10732 1 19 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.136 0.120 18098 10733 1 19 . 1 1 60 60 GLU C C 60 178.451 178.451 178.386 0.065 18098 10734 1 19 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.740 0.909 18098 10735 1 19 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.925 -0.161 18098 10736 1 19 . 1 1 60 60 GLU H H 60 7.867 7.867 7.686 0.181 18098 10737 1 19 . 1 1 61 61 TYR N N 61 121.955 121.955 120.037 1.918 18098 10738 1 19 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.262 -0.128 18098 10739 1 19 . 1 1 61 61 TYR C C 61 176.278 176.278 177.508 -1.230 18098 10740 1 19 . 1 1 61 61 TYR CA C 61 62.171 62.171 60.500 1.671 18098 10741 1 19 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.588 -0.398 18098 10742 1 19 . 1 1 61 61 TYR H H 61 8.675 8.675 7.830 0.845 18098 10743 1 19 . 1 1 62 62 ASP N N 62 118.314 118.314 118.354 -0.040 18098 10744 1 19 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.131 0.132 18098 10745 1 19 . 1 1 62 62 ASP C C 62 178.464 178.464 178.195 0.269 18098 10746 1 19 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.867 -1.122 18098 10747 1 19 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.806 0.739 18098 10748 1 19 . 1 1 62 62 ASP H H 62 8.481 8.481 7.960 0.521 18098 10749 1 19 . 1 1 63 63 SER N N 63 111.380 111.380 113.994 -2.614 18098 10750 1 19 . 1 1 63 63 SER HA H 63 4.361 4.361 4.287 0.074 18098 10751 1 19 . 1 1 63 63 SER C C 63 178.763 178.763 176.204 2.559 18098 10752 1 19 . 1 1 63 63 SER CA C 63 61.824 61.824 61.612 0.212 18098 10753 1 19 . 1 1 63 63 SER CB C 63 62.830 62.830 63.074 -0.244 18098 10754 1 19 . 1 1 63 63 SER H H 63 7.779 7.779 7.958 -0.179 18098 10755 1 19 . 1 1 64 64 LEU N N 64 127.444 127.444 120.787 6.657 18098 10756 1 19 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.149 -0.093 18098 10757 1 19 . 1 1 64 64 LEU C C 64 177.688 177.688 178.448 -0.760 18098 10758 1 19 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.143 0.908 18098 10759 1 19 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.909 -1.734 18098 10760 1 19 . 1 1 64 64 LEU H H 64 8.616 8.616 7.426 1.190 18098 10761 1 19 . 1 1 65 65 LEU N N 65 114.503 114.503 118.631 -4.128 18098 10762 1 19 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.852 -0.084 18098 10763 1 19 . 1 1 65 65 LEU C C 65 178.506 178.506 178.209 0.297 18098 10764 1 19 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.063 -0.698 18098 10765 1 19 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.931 -0.468 18098 10766 1 19 . 1 1 65 65 LEU H H 65 7.700 7.700 7.262 0.438 18098 10767 1 19 . 1 1 66 66 ASN N N 66 116.208 116.208 113.933 2.275 18098 10768 1 19 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.706 0.033 18098 10769 1 19 . 1 1 66 66 ASN C C 66 176.008 176.008 175.591 0.417 18098 10770 1 19 . 1 1 66 66 ASN CA C 66 53.886 53.886 54.229 -0.343 18098 10771 1 19 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.896 0.363 18098 10772 1 19 . 1 1 66 66 ASN H H 66 7.533 7.533 7.507 0.026 18098 10773 1 19 . 1 1 67 67 GLU N N 67 120.300 120.300 119.748 0.552 18098 10774 1 19 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.447 0.042 18098 10775 1 19 . 1 1 67 67 GLU C C 67 175.410 175.410 175.751 -0.341 18098 10776 1 19 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.411 -0.445 18098 10777 1 19 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.759 -2.339 18098 10778 1 19 . 1 1 67 67 GLU H H 67 7.948 7.948 7.530 0.418 18098 10779 1 19 . 1 1 68 68 LEU N N 68 120.037 120.037 122.921 -2.884 18098 10780 1 19 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.241 -0.111 18098 10781 1 19 . 1 1 68 68 LEU C C 68 178.720 178.720 177.153 1.567 18098 10782 1 19 . 1 1 68 68 LEU CA C 68 54.706 54.706 55.104 -0.398 18098 10783 1 19 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.887 -1.379 18098 10784 1 19 . 1 1 68 68 LEU H H 68 9.451 9.451 8.414 1.037 18098 10785 1 19 . 1 1 69 69 ASP N N 69 120.774 120.774 126.099 -5.325 18098 10786 1 19 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.105 0.072 18098 10787 1 19 . 1 1 69 69 ASP C C 69 179.446 179.446 177.571 1.875 18098 10788 1 19 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.317 1.320 18098 10789 1 19 . 1 1 69 69 ASP CB C 69 40.854 40.854 39.693 1.161 18098 10790 1 19 . 1 1 69 69 ASP H H 69 8.445 8.445 8.639 -0.194 18098 10791 1 19 . 1 1 70 70 TRP N N 70 117.865 117.865 119.823 -1.958 18098 10792 1 19 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.058 0.060 18098 10793 1 19 . 1 1 70 70 TRP C C 70 176.983 176.983 178.231 -1.248 18098 10794 1 19 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.432 -0.329 18098 10795 1 19 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.192 -0.801 18098 10796 1 19 . 1 1 70 70 TRP H H 70 8.809 8.809 7.813 0.996 18098 10797 1 19 . 1 1 71 71 ASP N N 71 116.993 116.993 118.546 -1.553 18098 10798 1 19 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.049 -0.187 18098 10799 1 19 . 1 1 71 71 ASP C C 71 175.218 175.218 177.816 -2.598 18098 10800 1 19 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.715 -0.262 18098 10801 1 19 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.598 -0.875 18098 10802 1 19 . 1 1 71 71 ASP H H 71 6.134 6.134 7.562 -1.428 18098 10803 1 19 . 1 1 72 72 ILE N N 72 115.361 115.361 119.590 -4.229 18098 10804 1 19 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.208 -0.336 18098 10805 1 19 . 1 1 72 72 ILE C C 72 177.097 177.097 177.612 -0.515 18098 10806 1 19 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.941 1.178 18098 10807 1 19 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.635 0.644 18098 10808 1 19 . 1 1 72 72 ILE H H 72 7.302 7.302 7.529 -0.227 18098 10809 1 19 . 1 1 73 73 TYR N N 73 116.121 116.121 120.210 -4.089 18098 10810 1 19 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.922 -0.181 18098 10811 1 19 . 1 1 73 73 TYR C C 73 178.827 178.827 177.361 1.466 18098 10812 1 19 . 1 1 73 73 TYR CA C 73 62.150 62.150 62.051 0.099 18098 10813 1 19 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.567 -0.395 18098 10814 1 19 . 1 1 73 73 TYR H H 73 7.327 7.327 7.387 -0.060 18098 10815 1 19 . 1 1 74 74 TYR N N 74 121.029 121.029 118.119 2.910 18098 10816 1 19 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.404 -0.128 18098 10817 1 19 . 1 1 74 74 TYR C C 74 178.165 178.165 177.577 0.588 18098 10818 1 19 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.373 -0.097 18098 10819 1 19 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.740 -1.956 18098 10820 1 19 . 1 1 74 74 TYR H H 74 8.922 8.922 7.688 1.234 18098 10821 1 19 . 1 1 75 75 TRP N N 75 121.118 121.118 119.048 2.070 18098 10822 1 19 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.666 0.089 18098 10823 1 19 . 1 1 75 75 TRP C C 75 180.599 180.599 177.690 2.909 18098 10824 1 19 . 1 1 75 75 TRP CA C 75 57.770 57.770 57.915 -0.145 18098 10825 1 19 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.161 0.250 18098 10826 1 19 . 1 1 75 75 TRP H H 75 9.201 9.201 7.796 1.405 18098 10827 1 19 . 1 1 76 76 ALA N N 76 122.129 122.129 120.178 1.951 18098 10828 1 19 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.147 -0.191 18098 10829 1 19 . 1 1 76 76 ALA C C 76 177.546 177.546 177.473 0.073 18098 10830 1 19 . 1 1 76 76 ALA CA C 76 55.200 55.200 53.911 1.289 18098 10831 1 19 . 1 1 76 76 ALA CB C 76 19.225 19.225 19.136 0.089 18098 10832 1 19 . 1 1 76 76 ALA H H 76 8.761 8.761 7.685 1.076 18098 10833 1 19 . 1 1 77 77 THR N N 77 102.584 102.584 108.042 -5.458 18098 10834 1 19 . 1 1 77 77 THR HA H 77 4.192 4.192 4.430 -0.238 18098 10835 1 19 . 1 1 77 77 THR C C 77 173.425 173.425 174.056 -0.631 18098 10836 1 19 . 1 1 77 77 THR CA C 77 60.767 60.767 59.511 1.256 18098 10837 1 19 . 1 1 77 77 THR CB C 77 69.573 69.573 70.293 -0.720 18098 10838 1 19 . 1 1 77 77 THR H H 77 7.411 7.411 7.400 0.011 18098 10839 1 19 . 1 1 78 78 LYS N N 78 116.069 116.069 121.167 -5.098 18098 10840 1 19 . 1 1 78 78 LYS HA H 78 2.830 2.830 4.193 -1.363 18098 10841 1 19 . 1 1 78 78 LYS C C 78 174.514 174.514 174.991 -0.477 18098 10842 1 19 . 1 1 78 78 LYS CA C 78 57.242 57.242 55.791 1.451 18098 10843 1 19 . 1 1 78 78 LYS CB C 78 28.333 28.333 32.677 -4.344 18098 10844 1 19 . 1 1 78 78 LYS H H 78 7.420 7.420 8.300 -0.880 18098 10845 1 19 . 1 1 79 79 ASN N N 79 120.318 120.318 124.162 -3.844 18098 10846 1 19 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.808 -0.011 18098 10847 1 19 . 1 1 79 79 ASN C C 79 175.581 175.581 175.546 0.035 18098 10848 1 19 . 1 1 79 79 ASN CA C 79 50.595 50.595 53.171 -2.576 18098 10849 1 19 . 1 1 79 79 ASN CB C 79 36.999 36.999 39.541 -2.542 18098 10850 1 19 . 1 1 79 79 ASN H H 79 8.828 8.828 7.648 1.180 18098 10851 1 19 . 1 1 80 80 PHE N N 80 120.545 120.545 113.612 6.933 18098 10852 1 19 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.385 0.484 18098 10853 1 19 . 1 1 80 80 PHE C C 80 177.311 177.311 176.216 1.095 18098 10854 1 19 . 1 1 80 80 PHE CA C 80 56.745 56.745 60.076 -3.331 18098 10855 1 19 . 1 1 80 80 PHE CB C 80 38.211 38.211 36.577 1.634 18098 10856 1 19 . 1 1 80 80 PHE H H 80 7.581 7.581 8.366 -0.785 18098 10857 1 19 . 1 1 81 81 LYS N N 81 118.568 118.568 118.458 0.110 18098 10858 1 19 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.205 -0.144 18098 10859 1 19 . 1 1 81 81 LYS C C 81 177.845 177.845 178.598 -0.753 18098 10860 1 19 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.315 0.193 18098 10861 1 19 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.695 -0.604 18098 10862 1 19 . 1 1 81 81 LYS H H 81 7.999 7.999 8.104 -0.105 18098 10863 1 19 . 1 1 82 82 THR N N 82 111.828 111.828 110.945 0.883 18098 10864 1 19 . 1 1 82 82 THR HA H 82 4.098 4.098 4.030 0.068 18098 10865 1 19 . 1 1 82 82 THR C C 82 174.556 174.556 175.259 -0.703 18098 10866 1 19 . 1 1 82 82 THR CA C 82 63.796 63.796 64.237 -0.441 18098 10867 1 19 . 1 1 82 82 THR CB C 82 68.509 68.509 68.947 -0.438 18098 10868 1 19 . 1 1 82 82 THR H H 82 7.419 7.419 7.701 -0.282 18098 10869 1 19 . 1 1 83 83 SER N N 83 115.546 115.546 117.136 -1.590 18098 10870 1 19 . 1 1 83 83 SER HA H 83 5.000 5.000 4.997 0.003 18098 10871 1 19 . 1 1 83 83 SER C C 83 170.371 170.371 172.508 -2.137 18098 10872 1 19 . 1 1 83 83 SER CA C 83 54.673 54.673 56.620 -1.946 18098 10873 1 19 . 1 1 83 83 SER CB C 83 63.763 63.763 64.895 -1.132 18098 10874 1 19 . 1 1 83 83 SER H H 83 7.312 7.312 7.977 -0.665 18098 10875 1 19 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.925 -0.370 18098 10876 1 19 . 1 1 84 84 PRO C C 84 176.855 176.855 176.120 0.735 18098 10877 1 19 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.672 -0.133 18098 10878 1 19 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.581 -0.498 18098 10879 1 19 . 1 1 85 85 LEU N N 85 125.147 125.147 121.885 3.262 18098 10880 1 19 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.357 -0.544 18098 10881 1 19 . 1 1 85 85 LEU C C 85 175.168 175.168 175.240 -0.072 18098 10882 1 19 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.039 0.298 18098 10883 1 19 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.464 0.896 18098 10884 1 19 . 1 1 85 85 LEU H H 85 8.171 8.171 8.391 -0.220 18098 10885 1 19 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.609 -0.101 18098 10886 1 19 . 1 1 86 86 PRO C C 86 177.111 177.111 177.264 -0.153 18098 10887 1 19 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.358 -0.097 18098 10888 1 19 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.871 -0.096 18098 10889 1 19 . 1 1 87 87 ASP N N 87 123.224 123.224 120.909 2.315 18098 10890 1 19 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.181 -0.026 18098 10891 1 19 . 1 1 87 87 ASP C C 87 178.392 178.392 177.695 0.697 18098 10892 1 19 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.860 -0.361 18098 10893 1 19 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.618 -0.498 18098 10894 1 19 . 1 1 87 87 ASP H H 87 8.649 8.649 8.674 -0.025 18098 10895 1 19 . 1 1 88 88 LYS N N 88 115.960 115.960 118.071 -2.111 18098 10896 1 19 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.834 -0.003 18098 10897 1 19 . 1 1 88 88 LYS C C 88 176.585 176.585 177.629 -1.044 18098 10898 1 19 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.354 -0.095 18098 10899 1 19 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.469 0.265 18098 10900 1 19 . 1 1 88 88 LYS H H 88 8.344 8.344 8.237 0.107 18098 10901 1 19 . 1 1 89 89 TRP N N 89 116.821 116.821 117.957 -1.136 18098 10902 1 19 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.660 0.154 18098 10903 1 19 . 1 1 89 89 TRP C C 89 176.329 176.329 177.030 -0.701 18098 10904 1 19 . 1 1 89 89 TRP CA C 89 56.147 56.147 57.156 -1.009 18098 10905 1 19 . 1 1 89 89 TRP CB C 89 31.502 31.502 29.886 1.616 18098 10906 1 19 . 1 1 89 89 TRP H H 89 7.145 7.145 7.235 -0.090 18098 10907 1 19 . 1 1 90 90 ALA N N 90 122.680 122.680 120.696 1.984 18098 10908 1 19 . 1 1 90 90 ALA HA H 90 3.866 3.866 3.994 -0.128 18098 10909 1 19 . 1 1 90 90 ALA C C 90 177.965 177.965 178.406 -0.441 18098 10910 1 19 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.422 0.289 18098 10911 1 19 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.909 -0.530 18098 10912 1 19 . 1 1 90 90 ALA H H 90 7.456 7.456 7.528 -0.072 18098 10913 1 19 . 1 1 91 91 ASN N N 91 114.054 114.054 113.607 0.447 18098 10914 1 19 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.697 0.118 18098 10915 1 19 . 1 1 91 91 ASN C C 91 174.727 174.727 175.680 -0.953 18098 10916 1 19 . 1 1 91 91 ASN CA C 91 52.389 52.389 53.104 -0.715 18098 10917 1 19 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.907 -0.200 18098 10918 1 19 . 1 1 91 91 ASN H H 91 8.318 8.318 7.816 0.502 18098 10919 1 19 . 1 1 92 92 SER N N 92 113.359 113.359 116.358 -2.999 18098 10920 1 19 . 1 1 92 92 SER HA H 92 4.649 4.649 4.478 0.171 18098 10921 1 19 . 1 1 92 92 SER C C 92 177.033 177.033 174.936 2.097 18098 10922 1 19 . 1 1 92 92 SER CA C 92 57.599 57.599 59.733 -2.134 18098 10923 1 19 . 1 1 92 92 SER CB C 92 64.454 64.454 63.816 0.638 18098 10924 1 19 . 1 1 92 92 SER H H 92 7.255 7.255 7.863 -0.608 18098 10925 1 19 . 1 1 93 93 LYS N N 93 133.672 133.672 127.738 5.934 18098 10926 1 19 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.090 0.040 18098 10927 1 19 . 1 1 93 93 LYS C C 93 178.763 178.763 178.223 0.540 18098 10928 1 19 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.187 -0.058 18098 10929 1 19 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.560 -0.477 18098 10930 1 19 . 1 1 93 93 LYS H H 93 9.608 9.608 8.928 0.680 18098 10931 1 19 . 1 1 94 94 LEU N N 94 122.086 122.086 120.898 1.188 18098 10932 1 19 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.188 0.163 18098 10933 1 19 . 1 1 94 94 LEU C C 94 178.663 178.663 178.507 0.156 18098 10934 1 19 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.383 -1.147 18098 10935 1 19 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.913 -0.752 18098 10936 1 19 . 1 1 94 94 LEU H H 94 8.000 8.000 7.834 0.166 18098 10937 1 19 . 1 1 95 95 LEU N N 95 118.720 118.720 117.841 0.879 18098 10938 1 19 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.988 -0.063 18098 10939 1 19 . 1 1 95 95 LEU C C 95 178.530 178.530 178.322 0.208 18098 10940 1 19 . 1 1 95 95 LEU CA C 95 57.381 57.381 57.878 -0.497 18098 10941 1 19 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.500 -0.576 18098 10942 1 19 . 1 1 95 95 LEU H H 95 7.997 7.997 7.832 0.165 18098 10943 1 19 . 1 1 96 96 LYS N N 96 117.880 117.880 118.812 -0.932 18098 10944 1 19 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.367 -0.111 18098 10945 1 19 . 1 1 96 96 LYS C C 96 179.147 179.147 179.671 -0.524 18098 10946 1 19 . 1 1 96 96 LYS CA C 96 59.462 59.462 58.469 0.993 18098 10947 1 19 . 1 1 96 96 LYS CB C 96 31.920 31.920 31.480 0.440 18098 10948 1 19 . 1 1 96 96 LYS H H 96 7.341 7.341 7.538 -0.197 18098 10949 1 19 . 1 1 97 97 GLN N N 97 119.660 119.660 118.114 1.546 18098 10950 1 19 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.300 -0.106 18098 10951 1 19 . 1 1 97 97 GLN C C 97 179.040 179.040 178.608 0.432 18098 10952 1 19 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.042 1.040 18098 10953 1 19 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.314 0.733 18098 10954 1 19 . 1 1 97 97 GLN H H 97 8.007 8.007 7.883 0.124 18098 10955 1 19 . 1 1 98 98 LEU N N 98 122.983 122.983 122.144 0.839 18098 10956 1 19 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.944 -0.093 18098 10957 1 19 . 1 1 98 98 LEU C C 98 178.841 178.841 178.568 0.273 18098 10958 1 19 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.851 0.230 18098 10959 1 19 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.538 0.358 18098 10960 1 19 . 1 1 98 98 LEU H H 98 8.425 8.425 8.055 0.370 18098 10961 1 19 . 1 1 99 99 GLN N N 99 119.099 119.099 117.459 1.640 18098 10962 1 19 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.316 0.324 18098 10963 1 19 . 1 1 99 99 GLN C C 99 179.660 179.660 178.835 0.825 18098 10964 1 19 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.614 -0.798 18098 10965 1 19 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.617 -1.200 18098 10966 1 19 . 1 1 99 99 GLN H H 99 8.594 8.594 8.269 0.325 18098 10967 1 19 . 1 1 100 100 GLU N N 100 120.803 120.803 120.362 0.441 18098 10968 1 19 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.182 -0.071 18098 10969 1 19 . 1 1 100 100 GLU C C 100 178.870 178.870 178.549 0.321 18098 10970 1 19 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.713 0.736 18098 10971 1 19 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.660 -0.280 18098 10972 1 19 . 1 1 100 100 GLU H H 100 8.353 8.353 7.587 0.766 18098 10973 1 19 . 1 1 101 101 PHE N N 101 120.752 120.752 120.779 -0.027 18098 10974 1 19 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.323 0.150 18098 10975 1 19 . 1 1 101 101 PHE C C 101 177.289 177.289 176.950 0.339 18098 10976 1 19 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.503 0.614 18098 10977 1 19 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.424 0.279 18098 10978 1 19 . 1 1 101 101 PHE H H 101 8.544 8.544 8.385 0.159 18098 10979 1 19 . 1 1 102 102 SER N N 102 112.889 112.889 114.444 -1.555 18098 10980 1 19 . 1 1 102 102 SER HA H 102 3.821 3.821 3.844 -0.023 18098 10981 1 19 . 1 1 102 102 SER C C 102 176.414 176.414 176.721 -0.307 18098 10982 1 19 . 1 1 102 102 SER CA C 102 61.123 61.123 61.634 -0.511 18098 10983 1 19 . 1 1 102 102 SER CB C 102 63.193 63.193 62.862 0.331 18098 10984 1 19 . 1 1 102 102 SER H H 102 8.314 8.314 8.448 -0.134 18098 10985 1 19 . 1 1 103 103 GLU N N 103 118.066 118.066 119.749 -1.683 18098 10986 1 19 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.186 -0.072 18098 10987 1 19 . 1 1 103 103 GLU C C 103 177.375 177.375 177.857 -0.482 18098 10988 1 19 . 1 1 103 103 GLU CA C 103 57.801 57.801 57.491 0.310 18098 10989 1 19 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.344 0.682 18098 10990 1 19 . 1 1 103 103 GLU H H 103 7.809 7.809 7.643 0.166 18098 10991 1 19 . 1 1 104 104 ASN N N 104 117.241 117.241 116.641 0.600 18098 10992 1 19 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.683 -0.036 18098 10993 1 19 . 1 1 104 104 ASN C C 104 175.752 175.752 174.698 1.054 18098 10994 1 19 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.376 0.363 18098 10995 1 19 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.929 -0.307 18098 10996 1 19 . 1 1 104 104 ASN H H 104 7.917 7.917 7.702 0.215 18098 10997 1 19 . 1 1 105 105 LYS N N 105 121.903 121.903 120.561 1.342 18098 10998 1 19 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.814 0.254 18098 10999 1 19 . 1 1 105 105 LYS C C 105 177.311 177.311 176.069 1.242 18098 11000 1 19 . 1 1 105 105 LYS CA C 105 57.374 57.374 56.988 0.386 18098 11001 1 19 . 1 1 105 105 LYS CB C 105 32.037 32.037 30.385 1.652 18098 11002 1 19 . 1 1 105 105 LYS H H 105 8.093 8.093 7.470 0.623 18098 11003 1 19 . 1 1 106 106 GLU N N 106 119.595 119.595 122.193 -2.598 18098 11004 1 19 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.381 -0.112 18098 11005 1 19 . 1 1 106 106 GLU C C 106 176.585 176.585 177.368 -0.783 18098 11006 1 19 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.997 -0.306 18098 11007 1 19 . 1 1 106 106 GLU CB C 106 29.700 29.700 30.953 -1.252 18098 11008 1 19 . 1 1 106 106 GLU H H 106 8.200 8.200 8.233 -0.033 18098 11009 1 19 . 1 1 107 107 LYS N N 107 120.538 120.538 122.080 -1.542 18098 11010 1 19 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.530 -0.263 18098 11011 1 19 . 1 1 107 107 LYS C C 107 176.435 176.435 175.832 0.603 18098 11012 1 19 . 1 1 107 107 LYS CA C 107 56.452 56.452 55.646 0.806 18098 11013 1 19 . 1 1 107 107 LYS CB C 107 33.110 33.110 32.140 0.970 18098 11014 1 19 . 1 1 107 107 LYS H H 107 7.838 7.838 8.440 -0.602 18098 11015 1 19 . 1 1 108 108 GLU N N 108 122.869 122.869 124.339 -1.470 18098 11016 1 19 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.417 -0.100 18098 11017 1 19 . 1 1 108 108 GLU C C 108 175.403 175.403 176.657 -1.254 18098 11018 1 19 . 1 1 108 108 GLU CA C 108 56.565 56.565 56.263 0.302 18098 11019 1 19 . 1 1 108 108 GLU CB C 108 30.057 30.057 27.955 2.102 18098 11020 1 19 . 1 1 108 108 GLU H H 108 8.313 8.313 8.672 -0.359 18098 11021 1 20 . 1 1 10 10 HIS HA H 10 4.642 4.642 4.306 0.336 18098 11022 1 20 . 1 1 10 10 HIS C C 10 174.891 174.891 175.028 -0.137 18098 11023 1 20 . 1 1 10 10 HIS CA C 10 56.030 56.030 57.216 -1.186 18098 11024 1 20 . 1 1 10 10 HIS CB C 10 30.113 30.113 29.357 0.756 18098 11025 1 20 . 1 1 11 11 MET N N 11 121.211 121.211 119.922 1.289 18098 11026 1 20 . 1 1 11 11 MET HA H 11 4.417 4.417 4.428 -0.011 18098 11027 1 20 . 1 1 11 11 MET C C 11 175.709 175.709 175.653 0.056 18098 11028 1 20 . 1 1 11 11 MET CA C 11 55.405 55.405 55.465 -0.060 18098 11029 1 20 . 1 1 11 11 MET CB C 11 32.776 32.776 30.974 1.802 18098 11030 1 20 . 1 1 11 11 MET H H 11 8.179 8.179 7.749 0.430 18098 11031 1 20 . 1 1 12 12 ILE N N 12 122.511 122.511 123.032 -0.521 18098 11032 1 20 . 1 1 12 12 ILE HA H 12 4.123 4.123 3.756 0.367 18098 11033 1 20 . 1 1 12 12 ILE C C 12 175.809 175.809 175.846 -0.037 18098 11034 1 20 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.905 -1.103 18098 11035 1 20 . 1 1 12 12 ILE CB C 12 38.531 38.531 36.579 1.952 18098 11036 1 20 . 1 1 12 12 ILE H H 12 8.088 8.088 8.128 -0.040 18098 11037 1 20 . 1 1 13 13 LYS N N 13 126.072 126.072 126.840 -0.768 18098 11038 1 20 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.281 0.047 18098 11039 1 20 . 1 1 13 13 LYS C C 13 176.108 176.108 176.738 -0.630 18098 11040 1 20 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.368 -0.315 18098 11041 1 20 . 1 1 13 13 LYS CB C 13 32.915 32.915 33.297 -0.383 18098 11042 1 20 . 1 1 13 13 LYS H H 13 8.381 8.381 8.403 -0.022 18098 11043 1 20 . 1 1 14 14 ARG N N 14 123.714 123.714 121.151 2.563 18098 11044 1 20 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.483 -0.039 18098 11045 1 20 . 1 1 14 14 ARG C C 14 176.428 176.428 176.701 -0.273 18098 11046 1 20 . 1 1 14 14 ARG CA C 14 55.742 55.742 55.950 -0.208 18098 11047 1 20 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.826 -0.045 18098 11048 1 20 . 1 1 14 14 ARG H H 14 8.484 8.484 7.811 0.673 18098 11049 1 20 . 1 1 15 15 THR N N 15 115.338 115.338 115.441 -0.103 18098 11050 1 20 . 1 1 15 15 THR HA H 15 4.367 4.367 4.260 0.107 18098 11051 1 20 . 1 1 15 15 THR C C 15 174.172 174.172 175.398 -1.226 18098 11052 1 20 . 1 1 15 15 THR CA C 15 61.501 61.501 61.998 -0.497 18098 11053 1 20 . 1 1 15 15 THR CB C 15 69.868 69.868 69.552 0.316 18098 11054 1 20 . 1 1 15 15 THR H H 15 8.279 8.279 8.642 -0.363 18098 11055 1 20 . 1 1 16 16 ASN N N 16 120.727 120.727 120.866 -0.139 18098 11056 1 20 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.568 0.110 18098 11057 1 20 . 1 1 16 16 ASN C C 16 174.482 174.482 174.072 0.410 18098 11058 1 20 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.409 -0.337 18098 11059 1 20 . 1 1 16 16 ASN CB C 16 38.381 38.381 37.633 0.748 18098 11060 1 20 . 1 1 16 16 ASN H H 16 8.612 8.612 8.258 0.354 18098 11061 1 20 . 1 1 17 17 GLU N N 17 123.790 123.790 119.503 4.287 18098 11062 1 20 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.066 0.535 18098 11063 1 20 . 1 1 17 17 GLU C C 17 173.823 173.823 174.097 -0.274 18098 11064 1 20 . 1 1 17 17 GLU CA C 17 53.965 53.965 56.270 -2.305 18098 11065 1 20 . 1 1 17 17 GLU CB C 17 31.763 31.763 29.867 1.896 18098 11066 1 20 . 1 1 17 17 GLU H H 17 8.113 8.113 8.574 -0.461 18098 11067 1 20 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.445 0.070 18098 11068 1 20 . 1 1 18 18 PRO C C 18 177.709 177.709 176.871 0.838 18098 11069 1 20 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.410 0.355 18098 11070 1 20 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.417 0.064 18098 11071 1 20 . 1 1 19 19 LEU N N 19 123.760 123.760 125.459 -1.699 18098 11072 1 20 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.053 -0.047 18098 11073 1 20 . 1 1 19 19 LEU C C 19 178.307 178.307 177.921 0.386 18098 11074 1 20 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.442 1.021 18098 11075 1 20 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.270 0.528 18098 11076 1 20 . 1 1 19 19 LEU H H 19 8.720 8.720 8.585 0.135 18098 11077 1 20 . 1 1 20 20 ASP N N 20 115.650 115.650 118.209 -2.559 18098 11078 1 20 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.307 0.054 18098 11079 1 20 . 1 1 20 20 ASP C C 20 179.531 179.531 178.912 0.619 18098 11080 1 20 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.942 -0.855 18098 11081 1 20 . 1 1 20 20 ASP CB C 20 39.321 39.321 39.985 -0.664 18098 11082 1 20 . 1 1 20 20 ASP H H 20 8.829 8.829 8.950 -0.121 18098 11083 1 20 . 1 1 21 21 LYS N N 21 121.462 121.462 119.323 2.139 18098 11084 1 20 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.131 0.001 18098 11085 1 20 . 1 1 21 21 LYS C C 21 178.421 178.421 178.721 -0.300 18098 11086 1 20 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.550 -0.267 18098 11087 1 20 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.438 -0.458 18098 11088 1 20 . 1 1 21 21 LYS H H 21 7.352 7.352 7.654 -0.302 18098 11089 1 20 . 1 1 22 22 LYS N N 22 123.296 123.296 120.643 2.653 18098 11090 1 20 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.005 -0.015 18098 11091 1 20 . 1 1 22 22 LYS C C 22 178.179 178.179 178.717 -0.538 18098 11092 1 20 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.671 0.183 18098 11093 1 20 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.367 0.420 18098 11094 1 20 . 1 1 22 22 LYS H H 22 8.407 8.407 7.559 0.848 18098 11095 1 20 . 1 1 23 23 ARG N N 23 116.950 116.950 118.694 -1.744 18098 11096 1 20 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.058 -0.324 18098 11097 1 20 . 1 1 23 23 ARG C C 23 177.460 177.460 178.604 -1.144 18098 11098 1 20 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.220 1.285 18098 11099 1 20 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.091 0.176 18098 11100 1 20 . 1 1 23 23 ARG H H 23 8.594 8.594 8.163 0.431 18098 11101 1 20 . 1 1 24 24 ALA N N 24 118.391 118.391 121.682 -3.291 18098 11102 1 20 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.120 -0.076 18098 11103 1 20 . 1 1 24 24 ALA C C 24 180.514 180.514 179.598 0.916 18098 11104 1 20 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.069 -0.000 18098 11105 1 20 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.158 -0.224 18098 11106 1 20 . 1 1 24 24 ALA H H 24 7.505 7.505 8.240 -0.735 18098 11107 1 20 . 1 1 25 25 ARG N N 25 120.413 120.413 119.234 1.179 18098 11108 1 20 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.111 0.096 18098 11109 1 20 . 1 1 25 25 ARG C C 25 178.058 178.058 178.657 -0.599 18098 11110 1 20 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.220 0.173 18098 11111 1 20 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.287 -0.675 18098 11112 1 20 . 1 1 25 25 ARG H H 25 8.291 8.291 7.748 0.543 18098 11113 1 20 . 1 1 26 26 LEU N N 26 119.205 119.205 119.911 -0.706 18098 11114 1 20 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.191 -0.046 18098 11115 1 20 . 1 1 26 26 LEU C C 26 180.642 180.642 179.487 1.155 18098 11116 1 20 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.984 -0.209 18098 11117 1 20 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.213 -0.513 18098 11118 1 20 . 1 1 26 26 LEU H H 26 8.305 8.305 7.872 0.433 18098 11119 1 20 . 1 1 27 27 ILE N N 27 123.643 123.643 118.780 4.863 18098 11120 1 20 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.862 -0.261 18098 11121 1 20 . 1 1 27 27 ILE C C 27 177.716 177.716 178.701 -0.985 18098 11122 1 20 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.263 0.889 18098 11123 1 20 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.892 -0.051 18098 11124 1 20 . 1 1 27 27 ILE H H 27 8.488 8.488 8.388 0.100 18098 11125 1 20 . 1 1 28 28 TYR N N 28 121.443 121.443 120.833 0.610 18098 11126 1 20 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.005 0.210 18098 11127 1 20 . 1 1 28 28 TYR C C 28 178.656 178.656 177.480 1.176 18098 11128 1 20 . 1 1 28 28 TYR CA C 28 61.443 61.443 62.193 -0.750 18098 11129 1 20 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.477 -0.643 18098 11130 1 20 . 1 1 28 28 TYR H H 28 7.832 7.832 7.869 -0.037 18098 11131 1 20 . 1 1 29 29 GLN N N 29 115.999 115.999 116.950 -0.951 18098 11132 1 20 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.838 0.023 18098 11133 1 20 . 1 1 29 29 GLN C C 29 178.537 178.537 178.415 0.122 18098 11134 1 20 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.587 -0.390 18098 11135 1 20 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.644 0.644 18098 11136 1 20 . 1 1 29 29 GLN H H 29 8.965 8.965 8.404 0.561 18098 11137 1 20 . 1 1 30 30 SER N N 30 115.599 115.599 114.350 1.249 18098 11138 1 20 . 1 1 30 30 SER HA H 30 4.100 4.100 4.225 -0.125 18098 11139 1 20 . 1 1 30 30 SER C C 30 171.004 171.004 175.750 -4.746 18098 11140 1 20 . 1 1 30 30 SER CA C 30 61.818 61.818 61.595 0.223 18098 11141 1 20 . 1 1 30 30 SER CB C 30 63.196 63.196 63.249 -0.053 18098 11142 1 20 . 1 1 30 30 SER H H 30 7.643 7.643 8.014 -0.371 18098 11143 1 20 . 1 1 31 31 ARG N N 31 114.000 114.000 119.566 -5.566 18098 11144 1 20 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.526 0.100 18098 11145 1 20 . 1 1 31 31 ARG C C 31 176.556 176.556 176.716 -0.160 18098 11146 1 20 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.788 -1.778 18098 11147 1 20 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.751 -0.092 18098 11148 1 20 . 1 1 31 31 ARG H H 31 6.987 6.987 7.282 -0.295 18098 11149 1 20 . 1 1 32 32 LYS N N 32 120.507 120.507 121.232 -0.725 18098 11150 1 20 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.189 0.316 18098 11151 1 20 . 1 1 32 32 LYS C C 32 176.577 176.577 175.475 1.102 18098 11152 1 20 . 1 1 32 32 LYS CA C 32 54.191 54.191 56.169 -1.978 18098 11153 1 20 . 1 1 32 32 LYS CB C 32 31.070 31.070 31.776 -0.706 18098 11154 1 20 . 1 1 32 32 LYS H H 32 7.245 7.245 7.562 -0.317 18098 11155 1 20 . 1 1 33 33 ARG N N 33 119.630 119.630 122.924 -3.294 18098 11156 1 20 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.583 -0.107 18098 11157 1 20 . 1 1 33 33 ARG C C 33 177.289 177.289 176.108 1.181 18098 11158 1 20 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.568 -2.179 18098 11159 1 20 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.082 -4.739 18098 11160 1 20 . 1 1 33 33 ARG H H 33 8.831 8.831 7.862 0.969 18098 11161 1 20 . 1 1 34 34 GLY N N 34 107.776 107.776 109.801 -2.025 18098 11162 1 20 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.970 -0.057 18098 11163 1 20 . 1 1 34 34 GLY H H 34 8.652 8.652 8.648 0.004 18098 11164 1 20 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.170 0.176 18098 11165 1 20 . 1 1 35 35 ILE C C 35 175.624 175.624 176.387 -0.763 18098 11166 1 20 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.999 -1.995 18098 11167 1 20 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.162 -0.279 18098 11168 1 20 . 1 1 35 35 ILE H H 35 6.841 6.841 7.160 -0.319 18098 11169 1 20 . 1 1 36 36 LEU N N 36 128.200 128.200 124.669 3.531 18098 11170 1 20 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.091 -0.151 18098 11171 1 20 . 1 1 36 36 LEU C C 36 177.994 177.994 178.713 -0.719 18098 11172 1 20 . 1 1 36 36 LEU CA C 36 58.018 58.018 56.350 1.668 18098 11173 1 20 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.310 1.573 18098 11174 1 20 . 1 1 36 36 LEU H H 36 8.518 8.518 8.646 -0.128 18098 11175 1 20 . 1 1 37 37 GLU N N 37 118.515 118.515 119.688 -1.173 18098 11176 1 20 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.918 -0.378 18098 11177 1 20 . 1 1 37 37 GLU C C 37 179.332 179.332 178.400 0.932 18098 11178 1 20 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.167 2.340 18098 11179 1 20 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.547 -0.812 18098 11180 1 20 . 1 1 37 37 GLU H H 37 9.964 9.964 8.465 1.499 18098 11181 1 20 . 1 1 38 38 THR N N 38 111.283 111.283 113.667 -2.384 18098 11182 1 20 . 1 1 38 38 THR HA H 38 3.867 3.867 4.078 -0.211 18098 11183 1 20 . 1 1 38 38 THR C C 38 175.061 175.061 176.146 -1.085 18098 11184 1 20 . 1 1 38 38 THR CA C 38 65.735 65.735 66.207 -0.472 18098 11185 1 20 . 1 1 38 38 THR CB C 38 67.623 67.623 67.944 -0.321 18098 11186 1 20 . 1 1 38 38 THR H H 38 6.425 6.425 7.641 -1.216 18098 11187 1 20 . 1 1 39 39 ASP N N 39 124.325 124.325 123.309 1.016 18098 11188 1 20 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.324 0.189 18098 11189 1 20 . 1 1 39 39 ASP C C 39 179.225 179.225 178.509 0.716 18098 11190 1 20 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.476 -0.378 18098 11191 1 20 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.792 1.091 18098 11192 1 20 . 1 1 39 39 ASP H H 39 7.997 7.997 7.380 0.617 18098 11193 1 20 . 1 1 40 40 LEU N N 40 118.757 118.757 119.284 -0.527 18098 11194 1 20 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.011 0.000 18098 11195 1 20 . 1 1 40 40 LEU C C 40 180.528 180.528 179.522 1.006 18098 11196 1 20 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.531 0.561 18098 11197 1 20 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.778 0.020 18098 11198 1 20 . 1 1 40 40 LEU H H 40 8.623 8.623 7.880 0.743 18098 11199 1 20 . 1 1 41 41 LEU N N 41 119.923 119.923 120.774 -0.851 18098 11200 1 20 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.158 0.235 18098 11201 1 20 . 1 1 41 41 LEU C C 41 177.631 177.631 178.599 -0.968 18098 11202 1 20 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.135 0.223 18098 11203 1 20 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.851 1.488 18098 11204 1 20 . 1 1 41 41 LEU H H 41 7.382 7.382 7.380 0.002 18098 11205 1 20 . 1 1 42 42 LEU N N 42 115.623 115.623 117.949 -2.326 18098 11206 1 20 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.064 0.209 18098 11207 1 20 . 1 1 42 42 LEU C C 42 179.489 179.489 179.339 0.150 18098 11208 1 20 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.686 -0.117 18098 11209 1 20 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.295 -0.811 18098 11210 1 20 . 1 1 42 42 LEU H H 42 8.963 8.963 8.199 0.764 18098 11211 1 20 . 1 1 43 43 SER N N 43 115.349 115.349 116.427 -1.078 18098 11212 1 20 . 1 1 43 43 SER HA H 43 4.039 4.039 4.200 -0.161 18098 11213 1 20 . 1 1 43 43 SER C C 43 178.200 178.200 176.988 1.212 18098 11214 1 20 . 1 1 43 43 SER CA C 43 62.665 62.665 63.052 -0.387 18098 11215 1 20 . 1 1 43 43 SER CB C 43 62.476 62.476 62.956 -0.480 18098 11216 1 20 . 1 1 43 43 SER H H 43 8.535 8.535 8.795 -0.260 18098 11217 1 20 . 1 1 44 44 GLY N N 44 110.034 110.034 109.134 0.900 18098 11218 1 20 . 1 1 44 44 GLY C C 44 175.624 175.624 175.819 -0.195 18098 11219 1 20 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.877 0.267 18098 11220 1 20 . 1 1 44 44 GLY H H 44 7.812 7.812 7.804 0.008 18098 11221 1 20 . 1 1 45 45 PHE N N 45 125.487 125.487 122.747 2.740 18098 11222 1 20 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.507 -0.569 18098 11223 1 20 . 1 1 45 45 PHE C C 45 177.482 177.482 176.480 1.002 18098 11224 1 20 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.855 0.390 18098 11225 1 20 . 1 1 45 45 PHE CB C 45 39.919 39.919 39.076 0.843 18098 11226 1 20 . 1 1 45 45 PHE H H 45 8.542 8.542 8.146 0.396 18098 11227 1 20 . 1 1 46 46 ALA N N 46 121.034 121.034 121.044 -0.010 18098 11228 1 20 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.811 -0.079 18098 11229 1 20 . 1 1 46 46 ALA C C 46 179.916 179.916 179.373 0.543 18098 11230 1 20 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.997 -0.289 18098 11231 1 20 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.031 0.066 18098 11232 1 20 . 1 1 46 46 ALA H H 46 9.262 9.262 8.313 0.949 18098 11233 1 20 . 1 1 47 47 ALA N N 47 117.642 117.642 120.001 -2.359 18098 11234 1 20 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.097 -0.126 18098 11235 1 20 . 1 1 47 47 ALA C C 47 178.250 178.250 178.783 -0.533 18098 11236 1 20 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.530 -0.147 18098 11237 1 20 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.419 -0.218 18098 11238 1 20 . 1 1 47 47 ALA H H 47 7.481 7.481 7.630 -0.149 18098 11239 1 20 . 1 1 48 48 LYS N N 48 115.388 115.388 117.736 -2.348 18098 11240 1 20 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.161 -0.061 18098 11241 1 20 . 1 1 48 48 LYS C C 48 177.845 177.845 178.688 -0.843 18098 11242 1 20 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.489 -0.729 18098 11243 1 20 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.164 0.622 18098 11244 1 20 . 1 1 48 48 LYS H H 48 7.056 7.056 7.455 -0.399 18098 11245 1 20 . 1 1 49 49 TYR N N 49 112.714 112.714 118.290 -5.576 18098 11246 1 20 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.014 0.282 18098 11247 1 20 . 1 1 49 49 TYR C C 49 178.272 178.272 178.137 0.135 18098 11248 1 20 . 1 1 49 49 TYR CA C 49 60.123 60.123 61.153 -1.030 18098 11249 1 20 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.084 2.176 18098 11250 1 20 . 1 1 49 49 TYR H H 49 7.941 7.941 8.004 -0.063 18098 11251 1 20 . 1 1 50 50 LEU N N 50 120.890 120.890 117.228 3.662 18098 11252 1 20 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.911 0.064 18098 11253 1 20 . 1 1 50 50 LEU C C 50 180.108 180.108 177.783 2.325 18098 11254 1 20 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.306 2.403 18098 11255 1 20 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.453 -0.616 18098 11256 1 20 . 1 1 50 50 LEU H H 50 7.945 7.945 7.449 0.496 18098 11257 1 20 . 1 1 51 51 LYS N N 51 115.335 115.335 115.582 -0.247 18098 11258 1 20 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.998 -0.140 18098 11259 1 20 . 1 1 51 51 LYS C C 51 176.051 176.051 178.441 -2.390 18098 11260 1 20 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.520 0.285 18098 11261 1 20 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.129 -0.622 18098 11262 1 20 . 1 1 51 51 LYS H H 51 8.463 8.463 8.241 0.222 18098 11263 1 20 . 1 1 52 52 LYS N N 52 115.175 115.175 117.220 -2.045 18098 11264 1 20 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.200 0.210 18098 11265 1 20 . 1 1 52 52 LYS C C 52 176.777 176.777 177.541 -0.764 18098 11266 1 20 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.778 -1.693 18098 11267 1 20 . 1 1 52 52 LYS CB C 52 33.116 33.116 32.486 0.631 18098 11268 1 20 . 1 1 52 52 LYS H H 52 7.232 7.232 7.537 -0.305 18098 11269 1 20 . 1 1 53 53 MET N N 53 120.127 120.127 119.931 0.196 18098 11270 1 20 . 1 1 53 53 MET HA H 53 4.485 4.485 4.532 -0.047 18098 11271 1 20 . 1 1 53 53 MET C C 53 176.179 176.179 175.973 0.206 18098 11272 1 20 . 1 1 53 53 MET CA C 53 57.091 57.091 55.945 1.146 18098 11273 1 20 . 1 1 53 53 MET CB C 53 34.125 34.125 33.495 0.630 18098 11274 1 20 . 1 1 53 53 MET H H 53 7.175 7.175 7.774 -0.599 18098 11275 1 20 . 1 1 54 54 ASN N N 54 120.819 120.819 121.745 -0.926 18098 11276 1 20 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.795 -0.030 18098 11277 1 20 . 1 1 54 54 ASN C C 54 175.154 175.154 176.274 -1.120 18098 11278 1 20 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.564 -1.623 18098 11279 1 20 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.402 -0.867 18098 11280 1 20 . 1 1 54 54 ASN H H 54 9.045 9.045 8.829 0.216 18098 11281 1 20 . 1 1 55 55 GLU N N 55 116.971 116.971 120.839 -3.868 18098 11282 1 20 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.980 -0.156 18098 11283 1 20 . 1 1 55 55 GLU C C 55 178.122 178.122 178.056 0.066 18098 11284 1 20 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.307 0.945 18098 11285 1 20 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.180 0.489 18098 11286 1 20 . 1 1 55 55 GLU H H 55 8.891 8.891 9.003 -0.112 18098 11287 1 20 . 1 1 56 56 GLU N N 56 119.652 119.652 116.827 2.825 18098 11288 1 20 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.386 -0.249 18098 11289 1 20 . 1 1 56 56 GLU C C 56 179.937 179.937 178.840 1.097 18098 11290 1 20 . 1 1 56 56 GLU CA C 56 59.816 59.816 58.910 0.906 18098 11291 1 20 . 1 1 56 56 GLU CB C 56 29.082 29.082 28.875 0.207 18098 11292 1 20 . 1 1 56 56 GLU H H 56 8.366 8.366 8.863 -0.497 18098 11293 1 20 . 1 1 57 57 GLU N N 57 122.119 122.119 119.183 2.936 18098 11294 1 20 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.302 -0.037 18098 11295 1 20 . 1 1 57 57 GLU C C 57 179.332 179.332 179.152 0.180 18098 11296 1 20 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.184 0.975 18098 11297 1 20 . 1 1 57 57 GLU CB C 57 29.300 29.300 30.036 -0.736 18098 11298 1 20 . 1 1 57 57 GLU H H 57 8.491 8.491 7.700 0.791 18098 11299 1 20 . 1 1 58 58 LEU N N 58 119.424 119.424 119.516 -0.092 18098 11300 1 20 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.084 0.052 18098 11301 1 20 . 1 1 58 58 LEU C C 58 179.218 179.218 179.076 0.142 18098 11302 1 20 . 1 1 58 58 LEU CA C 58 57.685 57.685 57.960 -0.275 18098 11303 1 20 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.702 0.148 18098 11304 1 20 . 1 1 58 58 LEU H H 58 8.693 8.693 8.370 0.323 18098 11305 1 20 . 1 1 59 59 GLU N N 59 118.813 118.813 117.512 1.301 18098 11306 1 20 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.045 0.255 18098 11307 1 20 . 1 1 59 59 GLU C C 59 179.361 179.361 179.028 0.333 18098 11308 1 20 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.084 -0.045 18098 11309 1 20 . 1 1 59 59 GLU CB C 59 29.105 29.105 28.924 0.181 18098 11310 1 20 . 1 1 59 59 GLU H H 59 8.009 8.009 8.135 -0.126 18098 11311 1 20 . 1 1 60 60 GLU N N 60 121.472 121.472 120.612 0.860 18098 11312 1 20 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.177 0.079 18098 11313 1 20 . 1 1 60 60 GLU C C 60 178.451 178.451 178.316 0.135 18098 11314 1 20 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.322 1.327 18098 11315 1 20 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.499 0.265 18098 11316 1 20 . 1 1 60 60 GLU H H 60 7.867 7.867 7.770 0.097 18098 11317 1 20 . 1 1 61 61 TYR N N 61 121.955 121.955 120.041 1.914 18098 11318 1 20 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.308 -0.174 18098 11319 1 20 . 1 1 61 61 TYR C C 61 176.278 176.278 177.481 -1.203 18098 11320 1 20 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.185 0.986 18098 11321 1 20 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.732 -0.542 18098 11322 1 20 . 1 1 61 61 TYR H H 61 8.675 8.675 7.657 1.018 18098 11323 1 20 . 1 1 62 62 ASP N N 62 118.314 118.314 118.453 -0.139 18098 11324 1 20 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.301 -0.038 18098 11325 1 20 . 1 1 62 62 ASP C C 62 178.464 178.464 178.035 0.429 18098 11326 1 20 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.262 -0.517 18098 11327 1 20 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.803 0.741 18098 11328 1 20 . 1 1 62 62 ASP H H 62 8.481 8.481 8.139 0.342 18098 11329 1 20 . 1 1 63 63 SER N N 63 111.380 111.380 114.470 -3.090 18098 11330 1 20 . 1 1 63 63 SER HA H 63 4.361 4.361 4.275 0.086 18098 11331 1 20 . 1 1 63 63 SER C C 63 178.763 178.763 176.598 2.165 18098 11332 1 20 . 1 1 63 63 SER CA C 63 61.824 61.824 61.141 0.683 18098 11333 1 20 . 1 1 63 63 SER CB C 63 62.830 62.830 63.238 -0.408 18098 11334 1 20 . 1 1 63 63 SER H H 63 7.779 7.779 7.475 0.304 18098 11335 1 20 . 1 1 64 64 LEU N N 64 127.444 127.444 123.547 3.897 18098 11336 1 20 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.359 -0.303 18098 11337 1 20 . 1 1 64 64 LEU C C 64 177.688 177.688 177.581 0.107 18098 11338 1 20 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.316 0.735 18098 11339 1 20 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.801 -1.626 18098 11340 1 20 . 1 1 64 64 LEU H H 64 8.616 8.616 7.419 1.197 18098 11341 1 20 . 1 1 65 65 LEU N N 65 114.503 114.503 118.129 -3.626 18098 11342 1 20 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.883 -0.115 18098 11343 1 20 . 1 1 65 65 LEU C C 65 178.506 178.506 178.078 0.428 18098 11344 1 20 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.315 -0.950 18098 11345 1 20 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.823 -0.360 18098 11346 1 20 . 1 1 65 65 LEU H H 65 7.700 7.700 7.633 0.067 18098 11347 1 20 . 1 1 66 66 ASN N N 66 116.208 116.208 114.481 1.727 18098 11348 1 20 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.729 0.010 18098 11349 1 20 . 1 1 66 66 ASN C C 66 176.008 176.008 175.816 0.192 18098 11350 1 20 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.839 0.047 18098 11351 1 20 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.670 0.589 18098 11352 1 20 . 1 1 66 66 ASN H H 66 7.533 7.533 7.597 -0.064 18098 11353 1 20 . 1 1 67 67 GLU N N 67 120.300 120.300 119.800 0.500 18098 11354 1 20 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.511 -0.022 18098 11355 1 20 . 1 1 67 67 GLU C C 67 175.410 175.410 175.930 -0.520 18098 11356 1 20 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.112 -0.146 18098 11357 1 20 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.645 -2.225 18098 11358 1 20 . 1 1 67 67 GLU H H 67 7.948 7.948 7.550 0.398 18098 11359 1 20 . 1 1 68 68 LEU N N 68 120.037 120.037 123.159 -3.122 18098 11360 1 20 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.208 -0.078 18098 11361 1 20 . 1 1 68 68 LEU C C 68 178.720 178.720 177.339 1.381 18098 11362 1 20 . 1 1 68 68 LEU CA C 68 54.706 54.706 55.411 -0.705 18098 11363 1 20 . 1 1 68 68 LEU CB C 68 41.508 41.508 43.253 -1.745 18098 11364 1 20 . 1 1 68 68 LEU H H 68 9.451 9.451 8.520 0.931 18098 11365 1 20 . 1 1 69 69 ASP N N 69 120.774 120.774 126.250 -5.476 18098 11366 1 20 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.098 0.079 18098 11367 1 20 . 1 1 69 69 ASP C C 69 179.446 179.446 178.172 1.274 18098 11368 1 20 . 1 1 69 69 ASP CA C 69 58.637 58.637 58.047 0.590 18098 11369 1 20 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.142 0.712 18098 11370 1 20 . 1 1 69 69 ASP H H 69 8.445 8.445 8.703 -0.258 18098 11371 1 20 . 1 1 70 70 TRP N N 70 117.865 117.865 120.603 -2.738 18098 11372 1 20 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.084 0.034 18098 11373 1 20 . 1 1 70 70 TRP C C 70 176.983 176.983 178.097 -1.114 18098 11374 1 20 . 1 1 70 70 TRP CA C 70 60.103 60.103 60.098 0.005 18098 11375 1 20 . 1 1 70 70 TRP CB C 70 28.391 28.391 28.956 -0.565 18098 11376 1 20 . 1 1 70 70 TRP H H 70 8.809 8.809 7.938 0.871 18098 11377 1 20 . 1 1 71 71 ASP N N 71 116.993 116.993 118.084 -1.091 18098 11378 1 20 . 1 1 71 71 ASP HA H 71 3.862 3.862 3.945 -0.083 18098 11379 1 20 . 1 1 71 71 ASP C C 71 175.218 175.218 177.824 -2.606 18098 11380 1 20 . 1 1 71 71 ASP CA C 71 57.453 57.453 58.075 -0.622 18098 11381 1 20 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.756 -1.033 18098 11382 1 20 . 1 1 71 71 ASP H H 71 6.134 6.134 8.056 -1.922 18098 11383 1 20 . 1 1 72 72 ILE N N 72 115.361 115.361 119.900 -4.539 18098 11384 1 20 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.306 -0.434 18098 11385 1 20 . 1 1 72 72 ILE C C 72 177.097 177.097 177.636 -0.539 18098 11386 1 20 . 1 1 72 72 ILE CA C 72 66.119 66.119 65.060 1.059 18098 11387 1 20 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.712 0.568 18098 11388 1 20 . 1 1 72 72 ILE H H 72 7.302 7.302 7.724 -0.422 18098 11389 1 20 . 1 1 73 73 TYR N N 73 116.121 116.121 120.085 -3.964 18098 11390 1 20 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.917 -0.176 18098 11391 1 20 . 1 1 73 73 TYR C C 73 178.827 178.827 177.356 1.471 18098 11392 1 20 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.921 0.229 18098 11393 1 20 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.526 -0.354 18098 11394 1 20 . 1 1 73 73 TYR H H 73 7.327 7.327 7.597 -0.270 18098 11395 1 20 . 1 1 74 74 TYR N N 74 121.029 121.029 119.244 1.785 18098 11396 1 20 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.302 -0.026 18098 11397 1 20 . 1 1 74 74 TYR C C 74 178.165 178.165 178.073 0.092 18098 11398 1 20 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.404 -0.126 18098 11399 1 20 . 1 1 74 74 TYR CB C 74 35.784 35.784 38.007 -2.223 18098 11400 1 20 . 1 1 74 74 TYR H H 74 8.922 8.922 7.900 1.022 18098 11401 1 20 . 1 1 75 75 TRP N N 75 121.118 121.118 118.484 2.634 18098 11402 1 20 . 1 1 75 75 TRP HA H 75 4.755 4.755 3.955 0.800 18098 11403 1 20 . 1 1 75 75 TRP C C 75 180.599 180.599 178.975 1.624 18098 11404 1 20 . 1 1 75 75 TRP CA C 75 57.770 57.770 59.282 -1.512 18098 11405 1 20 . 1 1 75 75 TRP CB C 75 28.411 28.411 27.808 0.603 18098 11406 1 20 . 1 1 75 75 TRP H H 75 9.201 9.201 8.089 1.112 18098 11407 1 20 . 1 1 76 76 ALA N N 76 122.129 122.129 121.407 0.722 18098 11408 1 20 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.077 -0.121 18098 11409 1 20 . 1 1 76 76 ALA C C 76 177.546 177.546 179.127 -1.581 18098 11410 1 20 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.603 0.597 18098 11411 1 20 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.448 0.777 18098 11412 1 20 . 1 1 76 76 ALA H H 76 8.761 8.761 7.472 1.289 18098 11413 1 20 . 1 1 77 77 THR N N 77 102.584 102.584 109.006 -6.422 18098 11414 1 20 . 1 1 77 77 THR HA H 77 4.192 4.192 4.075 0.117 18098 11415 1 20 . 1 1 77 77 THR C C 77 173.425 173.425 175.317 -1.892 18098 11416 1 20 . 1 1 77 77 THR CA C 77 60.767 60.767 62.837 -2.070 18098 11417 1 20 . 1 1 77 77 THR CB C 77 69.573 69.573 68.832 0.741 18098 11418 1 20 . 1 1 77 77 THR H H 77 7.411 7.411 7.579 -0.168 18098 11419 1 20 . 1 1 78 78 LYS N N 78 116.069 116.069 115.866 0.203 18098 11420 1 20 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.392 -0.562 18098 11421 1 20 . 1 1 78 78 LYS C C 78 174.514 174.514 174.629 -0.115 18098 11422 1 20 . 1 1 78 78 LYS CA C 78 57.242 57.242 57.183 0.059 18098 11423 1 20 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.834 -2.501 18098 11424 1 20 . 1 1 78 78 LYS H H 78 7.420 7.420 7.586 -0.166 18098 11425 1 20 . 1 1 79 79 ASN N N 79 120.318 120.318 118.403 1.915 18098 11426 1 20 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.681 0.116 18098 11427 1 20 . 1 1 79 79 ASN C C 79 175.581 175.581 175.236 0.345 18098 11428 1 20 . 1 1 79 79 ASN CA C 79 50.595 50.595 51.880 -1.285 18098 11429 1 20 . 1 1 79 79 ASN CB C 79 36.999 36.999 37.763 -0.763 18098 11430 1 20 . 1 1 79 79 ASN H H 79 8.828 8.828 7.857 0.971 18098 11431 1 20 . 1 1 80 80 PHE N N 80 120.545 120.545 123.818 -3.273 18098 11432 1 20 . 1 1 80 80 PHE HA H 80 4.869 4.869 5.042 -0.173 18098 11433 1 20 . 1 1 80 80 PHE C C 80 177.311 177.311 176.882 0.429 18098 11434 1 20 . 1 1 80 80 PHE CA C 80 56.745 56.745 58.069 -1.323 18098 11435 1 20 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.339 -0.128 18098 11436 1 20 . 1 1 80 80 PHE H H 80 7.581 7.581 7.779 -0.198 18098 11437 1 20 . 1 1 81 81 LYS N N 81 118.568 118.568 120.708 -2.140 18098 11438 1 20 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.060 0.001 18098 11439 1 20 . 1 1 81 81 LYS C C 81 177.845 177.845 178.143 -0.298 18098 11440 1 20 . 1 1 81 81 LYS CA C 81 58.508 58.508 59.435 -0.927 18098 11441 1 20 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.076 0.015 18098 11442 1 20 . 1 1 81 81 LYS H H 81 7.999 7.999 7.768 0.231 18098 11443 1 20 . 1 1 82 82 THR N N 82 111.828 111.828 111.889 -0.061 18098 11444 1 20 . 1 1 82 82 THR HA H 82 4.098 4.098 4.125 -0.027 18098 11445 1 20 . 1 1 82 82 THR C C 82 174.556 174.556 174.962 -0.406 18098 11446 1 20 . 1 1 82 82 THR CA C 82 63.796 63.796 63.238 0.558 18098 11447 1 20 . 1 1 82 82 THR CB C 82 68.509 68.509 69.004 -0.495 18098 11448 1 20 . 1 1 82 82 THR H H 82 7.419 7.419 7.897 -0.478 18098 11449 1 20 . 1 1 83 83 SER N N 83 115.546 115.546 118.709 -3.163 18098 11450 1 20 . 1 1 83 83 SER HA H 83 5.000 5.000 5.072 -0.072 18098 11451 1 20 . 1 1 83 83 SER C C 83 170.371 170.371 172.328 -1.957 18098 11452 1 20 . 1 1 83 83 SER CA C 83 54.673 54.673 56.650 -1.977 18098 11453 1 20 . 1 1 83 83 SER CB C 83 63.763 63.763 64.242 -0.479 18098 11454 1 20 . 1 1 83 83 SER H H 83 7.312 7.312 8.113 -0.801 18098 11455 1 20 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.767 -0.212 18098 11456 1 20 . 1 1 84 84 PRO C C 84 176.855 176.855 176.905 -0.050 18098 11457 1 20 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.758 -0.218 18098 11458 1 20 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.466 -0.383 18098 11459 1 20 . 1 1 85 85 LEU N N 85 125.147 125.147 123.329 1.818 18098 11460 1 20 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.104 -0.291 18098 11461 1 20 . 1 1 85 85 LEU C C 85 175.168 175.168 175.256 -0.088 18098 11462 1 20 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.046 0.291 18098 11463 1 20 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.398 0.962 18098 11464 1 20 . 1 1 85 85 LEU H H 85 8.171 8.171 8.315 -0.144 18098 11465 1 20 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.552 -0.044 18098 11466 1 20 . 1 1 86 86 PRO C C 86 177.111 177.111 176.894 0.217 18098 11467 1 20 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.322 -0.061 18098 11468 1 20 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.765 0.010 18098 11469 1 20 . 1 1 87 87 ASP N N 87 123.224 123.224 121.367 1.857 18098 11470 1 20 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.284 -0.129 18098 11471 1 20 . 1 1 87 87 ASP C C 87 178.392 178.392 177.179 1.213 18098 11472 1 20 . 1 1 87 87 ASP CA C 87 57.499 57.499 56.508 0.991 18098 11473 1 20 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.527 -0.407 18098 11474 1 20 . 1 1 87 87 ASP H H 87 8.649 8.649 8.526 0.123 18098 11475 1 20 . 1 1 88 88 LYS N N 88 115.960 115.960 116.855 -0.895 18098 11476 1 20 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.897 -0.066 18098 11477 1 20 . 1 1 88 88 LYS C C 88 176.585 176.585 176.934 -0.349 18098 11478 1 20 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.114 0.145 18098 11479 1 20 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.407 0.327 18098 11480 1 20 . 1 1 88 88 LYS H H 88 8.344 8.344 8.131 0.213 18098 11481 1 20 . 1 1 89 89 TRP N N 89 116.821 116.821 118.041 -1.220 18098 11482 1 20 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.568 0.246 18098 11483 1 20 . 1 1 89 89 TRP C C 89 176.329 176.329 176.237 0.092 18098 11484 1 20 . 1 1 89 89 TRP CA C 89 56.147 56.147 55.803 0.344 18098 11485 1 20 . 1 1 89 89 TRP CB C 89 31.502 31.502 29.663 1.839 18098 11486 1 20 . 1 1 89 89 TRP H H 89 7.145 7.145 7.123 0.022 18098 11487 1 20 . 1 1 90 90 ALA N N 90 122.680 122.680 123.466 -0.786 18098 11488 1 20 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.043 -0.177 18098 11489 1 20 . 1 1 90 90 ALA C C 90 177.965 177.965 177.195 0.770 18098 11490 1 20 . 1 1 90 90 ALA CA C 90 54.711 54.711 53.283 1.428 18098 11491 1 20 . 1 1 90 90 ALA CB C 90 18.379 18.379 17.580 0.799 18098 11492 1 20 . 1 1 90 90 ALA H H 90 7.456 7.456 7.229 0.227 18098 11493 1 20 . 1 1 91 91 ASN N N 91 114.054 114.054 118.592 -4.538 18098 11494 1 20 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.376 0.439 18098 11495 1 20 . 1 1 91 91 ASN C C 91 174.727 174.727 174.726 0.001 18098 11496 1 20 . 1 1 91 91 ASN CA C 91 52.389 52.389 54.118 -1.729 18098 11497 1 20 . 1 1 91 91 ASN CB C 91 38.707 38.707 36.614 2.093 18098 11498 1 20 . 1 1 91 91 ASN H H 91 8.318 8.318 8.605 -0.287 18098 11499 1 20 . 1 1 92 92 SER N N 92 113.359 113.359 115.987 -2.628 18098 11500 1 20 . 1 1 92 92 SER HA H 92 4.649 4.649 4.447 0.202 18098 11501 1 20 . 1 1 92 92 SER C C 92 177.033 177.033 175.916 1.117 18098 11502 1 20 . 1 1 92 92 SER CA C 92 57.599 57.599 58.386 -0.787 18098 11503 1 20 . 1 1 92 92 SER CB C 92 64.454 64.454 64.564 -0.110 18098 11504 1 20 . 1 1 92 92 SER H H 92 7.255 7.255 7.722 -0.467 18098 11505 1 20 . 1 1 93 93 LYS N N 93 133.672 133.672 128.762 4.910 18098 11506 1 20 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.125 0.005 18098 11507 1 20 . 1 1 93 93 LYS C C 93 178.763 178.763 178.247 0.516 18098 11508 1 20 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.756 -0.627 18098 11509 1 20 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.394 -0.311 18098 11510 1 20 . 1 1 93 93 LYS H H 93 9.608 9.608 8.942 0.666 18098 11511 1 20 . 1 1 94 94 LEU N N 94 122.086 122.086 119.334 2.752 18098 11512 1 20 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.243 0.108 18098 11513 1 20 . 1 1 94 94 LEU C C 94 178.663 178.663 178.428 0.235 18098 11514 1 20 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.197 -0.961 18098 11515 1 20 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.959 -0.798 18098 11516 1 20 . 1 1 94 94 LEU H H 94 8.000 8.000 8.171 -0.171 18098 11517 1 20 . 1 1 95 95 LEU N N 95 118.720 118.720 118.623 0.097 18098 11518 1 20 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.865 0.060 18098 11519 1 20 . 1 1 95 95 LEU C C 95 178.530 178.530 178.412 0.118 18098 11520 1 20 . 1 1 95 95 LEU CA C 95 57.381 57.381 57.924 -0.543 18098 11521 1 20 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.731 -0.807 18098 11522 1 20 . 1 1 95 95 LEU H H 95 7.997 7.997 7.839 0.158 18098 11523 1 20 . 1 1 96 96 LYS N N 96 117.880 117.880 119.112 -1.232 18098 11524 1 20 . 1 1 96 96 LYS HA H 96 4.256 4.256 3.946 0.310 18098 11525 1 20 . 1 1 96 96 LYS C C 96 179.147 179.147 179.226 -0.079 18098 11526 1 20 . 1 1 96 96 LYS CA C 96 59.462 59.462 60.274 -0.812 18098 11527 1 20 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.112 -0.192 18098 11528 1 20 . 1 1 96 96 LYS H H 96 7.341 7.341 7.804 -0.463 18098 11529 1 20 . 1 1 97 97 GLN N N 97 119.660 119.660 117.704 1.956 18098 11530 1 20 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.281 -0.087 18098 11531 1 20 . 1 1 97 97 GLN C C 97 179.040 179.040 178.892 0.148 18098 11532 1 20 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.431 0.651 18098 11533 1 20 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.515 0.532 18098 11534 1 20 . 1 1 97 97 GLN H H 97 8.007 8.007 8.295 -0.288 18098 11535 1 20 . 1 1 98 98 LEU N N 98 122.983 122.983 121.886 1.097 18098 11536 1 20 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.949 -0.098 18098 11537 1 20 . 1 1 98 98 LEU C C 98 178.841 178.841 178.559 0.282 18098 11538 1 20 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.747 0.334 18098 11539 1 20 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.428 0.468 18098 11540 1 20 . 1 1 98 98 LEU H H 98 8.425 8.425 8.149 0.276 18098 11541 1 20 . 1 1 99 99 GLN N N 99 119.099 119.099 118.929 0.170 18098 11542 1 20 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.283 0.357 18098 11543 1 20 . 1 1 99 99 GLN C C 99 179.660 179.660 178.900 0.760 18098 11544 1 20 . 1 1 99 99 GLN CA C 99 57.816 57.816 58.926 -1.110 18098 11545 1 20 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.767 -1.350 18098 11546 1 20 . 1 1 99 99 GLN H H 99 8.594 8.594 8.260 0.334 18098 11547 1 20 . 1 1 100 100 GLU N N 100 120.803 120.803 119.237 1.566 18098 11548 1 20 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.146 -0.035 18098 11549 1 20 . 1 1 100 100 GLU C C 100 178.870 178.870 179.071 -0.201 18098 11550 1 20 . 1 1 100 100 GLU CA C 100 59.449 59.449 59.043 0.406 18098 11551 1 20 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.422 -0.042 18098 11552 1 20 . 1 1 100 100 GLU H H 100 8.353 8.353 8.257 0.096 18098 11553 1 20 . 1 1 101 101 PHE N N 101 120.752 120.752 120.803 -0.051 18098 11554 1 20 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.410 0.062 18098 11555 1 20 . 1 1 101 101 PHE C C 101 177.289 177.289 176.306 0.983 18098 11556 1 20 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.681 0.436 18098 11557 1 20 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.467 0.236 18098 11558 1 20 . 1 1 101 101 PHE H H 101 8.544 8.544 8.054 0.490 18098 11559 1 20 . 1 1 102 102 SER N N 102 112.889 112.889 113.066 -0.177 18098 11560 1 20 . 1 1 102 102 SER HA H 102 3.821 3.821 4.070 -0.249 18098 11561 1 20 . 1 1 102 102 SER C C 102 176.414 176.414 176.681 -0.267 18098 11562 1 20 . 1 1 102 102 SER CA C 102 61.123 61.123 61.735 -0.612 18098 11563 1 20 . 1 1 102 102 SER CB C 102 63.193 63.193 63.238 -0.045 18098 11564 1 20 . 1 1 102 102 SER H H 102 8.314 8.314 8.124 0.190 18098 11565 1 20 . 1 1 103 103 GLU N N 103 118.066 118.066 119.492 -1.426 18098 11566 1 20 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.193 -0.079 18098 11567 1 20 . 1 1 103 103 GLU C C 103 177.375 177.375 177.414 -0.039 18098 11568 1 20 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.121 -0.320 18098 11569 1 20 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.664 0.362 18098 11570 1 20 . 1 1 103 103 GLU H H 103 7.809 7.809 7.695 0.114 18098 11571 1 20 . 1 1 104 104 ASN N N 104 117.241 117.241 117.733 -0.492 18098 11572 1 20 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.909 -0.262 18098 11573 1 20 . 1 1 104 104 ASN C C 104 175.752 175.752 175.171 0.581 18098 11574 1 20 . 1 1 104 104 ASN CA C 104 53.739 53.739 52.862 0.877 18098 11575 1 20 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.739 -0.117 18098 11576 1 20 . 1 1 104 104 ASN H H 104 7.917 7.917 7.626 0.291 18098 11577 1 20 . 1 1 105 105 LYS N N 105 121.903 121.903 120.010 1.893 18098 11578 1 20 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.751 0.317 18098 11579 1 20 . 1 1 105 105 LYS C C 105 177.311 177.311 177.435 -0.124 18098 11580 1 20 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.491 -1.117 18098 11581 1 20 . 1 1 105 105 LYS CB C 105 32.037 32.037 32.606 -0.569 18098 11582 1 20 . 1 1 105 105 LYS H H 105 8.093 8.093 7.857 0.236 18098 11583 1 20 . 1 1 106 106 GLU N N 106 119.595 119.595 117.617 1.978 18098 11584 1 20 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.544 -0.275 18098 11585 1 20 . 1 1 106 106 GLU C C 106 176.585 176.585 176.165 0.420 18098 11586 1 20 . 1 1 106 106 GLU CA C 106 56.691 56.691 55.840 0.851 18098 11587 1 20 . 1 1 106 106 GLU CB C 106 29.700 29.700 29.944 -0.244 18098 11588 1 20 . 1 1 106 106 GLU H H 106 8.200 8.200 8.464 -0.264 18098 11589 1 20 . 1 1 107 107 LYS N N 107 120.538 120.538 116.176 4.362 18098 11590 1 20 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.124 0.143 18098 11591 1 20 . 1 1 107 107 LYS C C 107 176.435 176.435 176.432 0.003 18098 11592 1 20 . 1 1 107 107 LYS CA C 107 56.452 56.452 57.068 -0.616 18098 11593 1 20 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.943 1.167 18098 11594 1 20 . 1 1 107 107 LYS H H 107 7.838 7.838 8.159 -0.321 18098 11595 1 20 . 1 1 108 108 GLU N N 108 122.869 122.869 120.646 2.223 18098 11596 1 20 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.309 0.008 18098 11597 1 20 . 1 1 108 108 GLU C C 108 175.403 175.403 176.473 -1.070 18098 11598 1 20 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.696 0.869 18098 11599 1 20 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.332 -0.275 18098 11600 1 20 . 1 1 108 108 GLU H H 108 8.313 8.313 8.007 0.306 18098 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 94 2.466 0.491 2.429 18098 2 1 1 "Average Difference" HA 101 0.197 0.012 0.198 18098 3 1 1 "Average Difference" C 98 1.057 0.001 1.063 18098 4 1 1 "Average Difference" CA 99 0.882 0.150 0.874 18098 5 1 1 "Average Difference" CB 97 1.041 0.131 1.038 18098 6 1 1 "Average Difference" HN 95 0.512 -0.118 0.501 18098 7 1 2 "Average Difference" N 94 3.021 0.455 3.003 18098 8 1 2 "Average Difference" HA 101 0.222 0.020 0.222 18098 9 1 2 "Average Difference" C 98 1.131 -0.117 1.131 18098 10 1 2 "Average Difference" CA 99 0.934 0.030 0.938 18098 11 1 2 "Average Difference" CB 97 1.100 0.125 1.099 18098 12 1 2 "Average Difference" HN 95 0.582 -0.161 0.563 18098 13 1 3 "Average Difference" N 94 2.554 0.274 2.553 18098 14 1 3 "Average Difference" HA 101 0.190 0.018 0.191 18098 15 1 3 "Average Difference" C 98 1.056 -0.067 1.059 18098 16 1 3 "Average Difference" CA 99 0.903 0.067 0.905 18098 17 1 3 "Average Difference" CB 97 1.048 0.102 1.048 18098 18 1 3 "Average Difference" HN 95 0.560 -0.156 0.541 18098 19 1 4 "Average Difference" N 94 2.525 0.054 2.537 18098 20 1 4 "Average Difference" HA 101 0.195 0.023 0.195 18098 21 1 4 "Average Difference" C 98 1.028 -0.063 1.031 18098 22 1 4 "Average Difference" CA 99 0.940 0.089 0.941 18098 23 1 4 "Average Difference" CB 97 1.033 0.182 1.023 18098 24 1 4 "Average Difference" HN 95 0.545 -0.147 0.528 18098 25 1 5 "Average Difference" N 94 2.563 0.350 2.552 18098 26 1 5 "Average Difference" HA 101 0.181 0.006 0.182 18098 27 1 5 "Average Difference" C 98 1.088 -0.038 1.093 18098 28 1 5 "Average Difference" CA 99 0.902 0.126 0.898 18098 29 1 5 "Average Difference" CB 97 1.116 0.147 1.112 18098 30 1 5 "Average Difference" HN 95 0.562 -0.130 0.550 18098 31 1 6 "Average Difference" N 94 2.564 0.372 2.551 18098 32 1 6 "Average Difference" HA 101 0.217 0.040 0.215 18098 33 1 6 "Average Difference" C 98 1.020 -0.141 1.015 18098 34 1 6 "Average Difference" CA 99 0.916 0.023 0.920 18098 35 1 6 "Average Difference" CB 97 1.052 0.190 1.040 18098 36 1 6 "Average Difference" HN 95 0.554 -0.149 0.536 18098 37 1 7 "Average Difference" N 94 2.643 0.317 2.638 18098 38 1 7 "Average Difference" HA 101 0.271 0.021 0.272 18098 39 1 7 "Average Difference" C 98 1.060 -0.041 1.065 18098 40 1 7 "Average Difference" CA 99 1.097 0.111 1.097 18098 41 1 7 "Average Difference" CB 97 1.082 0.126 1.080 18098 42 1 7 "Average Difference" HN 95 0.537 -0.144 0.520 18098 43 1 8 "Average Difference" N 94 2.514 0.304 2.509 18098 44 1 8 "Average Difference" HA 101 0.199 0.026 0.198 18098 45 1 8 "Average Difference" C 98 1.014 -0.094 1.015 18098 46 1 8 "Average Difference" CA 99 0.990 0.098 0.991 18098 47 1 8 "Average Difference" CB 97 1.055 0.187 1.044 18098 48 1 8 "Average Difference" HN 95 0.548 -0.131 0.535 18098 49 1 9 "Average Difference" N 94 2.609 0.305 2.605 18098 50 1 9 "Average Difference" HA 101 0.204 0.021 0.204 18098 51 1 9 "Average Difference" C 98 1.045 -0.134 1.042 18098 52 1 9 "Average Difference" CA 99 0.978 0.067 0.981 18098 53 1 9 "Average Difference" CB 97 1.065 0.102 1.066 18098 54 1 9 "Average Difference" HN 95 0.537 -0.118 0.527 18098 55 1 10 "Average Difference" N 94 2.502 0.518 2.460 18098 56 1 10 "Average Difference" HA 101 0.258 0.029 0.258 18098 57 1 10 "Average Difference" C 98 1.087 -0.051 1.092 18098 58 1 10 "Average Difference" CA 99 0.969 0.066 0.972 18098 59 1 10 "Average Difference" CB 97 1.089 0.166 1.082 18098 60 1 10 "Average Difference" HN 95 0.570 -0.129 0.558 18098 61 1 11 "Average Difference" N 94 2.769 0.256 2.772 18098 62 1 11 "Average Difference" HA 101 0.207 0.002 0.208 18098 63 1 11 "Average Difference" C 98 1.023 -0.004 1.028 18098 64 1 11 "Average Difference" CA 99 1.090 0.174 1.082 18098 65 1 11 "Average Difference" CB 97 1.093 0.083 1.095 18098 66 1 11 "Average Difference" HN 95 0.529 -0.161 0.507 18098 67 1 12 "Average Difference" N 94 2.843 0.547 2.805 18098 68 1 12 "Average Difference" HA 101 0.255 0.030 0.254 18098 69 1 12 "Average Difference" C 98 1.130 -0.069 1.134 18098 70 1 12 "Average Difference" CA 99 1.028 0.037 1.033 18098 71 1 12 "Average Difference" CB 97 1.034 0.223 1.015 18098 72 1 12 "Average Difference" HN 95 0.577 -0.143 0.562 18098 73 1 13 "Average Difference" N 94 2.751 0.209 2.757 18098 74 1 13 "Average Difference" HA 101 0.206 -0.001 0.207 18098 75 1 13 "Average Difference" C 98 1.071 -0.037 1.076 18098 76 1 13 "Average Difference" CA 99 1.079 0.108 1.079 18098 77 1 13 "Average Difference" CB 97 1.074 0.118 1.073 18098 78 1 13 "Average Difference" HN 95 0.569 -0.167 0.547 18098 79 1 14 "Average Difference" N 94 2.461 0.370 2.446 18098 80 1 14 "Average Difference" HA 101 0.242 0.034 0.240 18098 81 1 14 "Average Difference" C 98 1.098 -0.087 1.100 18098 82 1 14 "Average Difference" CA 99 0.910 0.022 0.914 18098 83 1 14 "Average Difference" CB 97 1.069 0.198 1.056 18098 84 1 14 "Average Difference" HN 95 0.566 -0.127 0.554 18098 85 1 15 "Average Difference" N 94 2.785 0.173 2.795 18098 86 1 15 "Average Difference" HA 101 0.246 0.017 0.247 18098 87 1 15 "Average Difference" C 98 1.059 -0.061 1.062 18098 88 1 15 "Average Difference" CA 99 1.045 0.100 1.046 18098 89 1 15 "Average Difference" CB 97 0.915 0.216 0.894 18098 90 1 15 "Average Difference" HN 95 0.599 -0.153 0.582 18098 91 1 16 "Average Difference" N 94 2.418 0.263 2.416 18098 92 1 16 "Average Difference" HA 101 0.209 0.030 0.208 18098 93 1 16 "Average Difference" C 98 1.061 -0.182 1.051 18098 94 1 16 "Average Difference" CA 99 0.900 -0.092 0.900 18098 95 1 16 "Average Difference" CB 97 1.090 0.106 1.091 18098 96 1 16 "Average Difference" HN 95 0.548 -0.145 0.532 18098 97 1 17 "Average Difference" N 94 2.601 0.376 2.588 18098 98 1 17 "Average Difference" HA 101 0.222 0.040 0.219 18098 99 1 17 "Average Difference" C 98 1.068 -0.087 1.070 18098 100 1 17 "Average Difference" CA 99 0.975 0.019 0.980 18098 101 1 17 "Average Difference" CB 97 1.112 0.187 1.101 18098 102 1 17 "Average Difference" HN 95 0.579 -0.123 0.568 18098 103 1 18 "Average Difference" N 94 2.507 0.291 2.503 18098 104 1 18 "Average Difference" HA 101 0.176 0.018 0.176 18098 105 1 18 "Average Difference" C 98 1.054 -0.053 1.058 18098 106 1 18 "Average Difference" CA 99 0.898 0.099 0.897 18098 107 1 18 "Average Difference" CB 97 1.089 0.179 1.079 18098 108 1 18 "Average Difference" HN 95 0.553 -0.176 0.528 18098 109 1 19 "Average Difference" N 94 2.572 0.092 2.584 18098 110 1 19 "Average Difference" HA 101 0.227 0.036 0.225 18098 111 1 19 "Average Difference" C 98 1.088 -0.036 1.093 18098 112 1 19 "Average Difference" CA 99 0.995 0.132 0.991 18098 113 1 19 "Average Difference" CB 97 1.169 0.138 1.167 18098 114 1 19 "Average Difference" HN 95 0.579 -0.166 0.558 18098 115 1 20 "Average Difference" N 94 2.506 0.249 2.507 18098 116 1 20 "Average Difference" HA 101 0.213 -0.002 0.214 18098 117 1 20 "Average Difference" C 98 1.012 -0.006 1.017 18098 118 1 20 "Average Difference" CA 99 0.977 0.147 0.970 18098 119 1 20 "Average Difference" CB 97 1.007 0.029 1.011 18098 120 1 20 "Average Difference" HN 95 0.559 -0.123 0.549 18098 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 18098 _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 10 10 HIS HA H 10 4.642 4.642 4.646 -0.004 18098 2 1 . 1 1 10 10 HIS C C 10 174.891 174.891 174.466 0.425 18098 3 1 . 1 1 10 10 HIS CA C 10 56.030 56.030 55.835 0.195 18098 4 1 . 1 1 10 10 HIS CB C 10 30.113 30.113 30.024 0.090 18098 5 1 . 1 1 11 11 MET N N 11 121.211 121.211 122.421 -1.210 18098 6 1 . 1 1 11 11 MET HA H 11 4.417 4.417 4.546 -0.129 18098 7 1 . 1 1 11 11 MET C C 11 175.709 175.709 175.821 -0.112 18098 8 1 . 1 1 11 11 MET CA C 11 55.405 55.405 55.093 0.312 18098 9 1 . 1 1 11 11 MET CB C 11 32.776 32.776 32.624 0.152 18098 10 1 . 1 1 11 11 MET H H 11 8.179 8.179 8.239 -0.060 18098 11 1 . 1 1 12 12 ILE N N 12 122.511 122.511 124.781 -2.270 18098 12 1 . 1 1 12 12 ILE HA H 12 4.123 4.123 4.144 -0.021 18098 13 1 . 1 1 12 12 ILE C C 12 175.809 175.809 175.694 0.115 18098 14 1 . 1 1 12 12 ILE CA C 12 60.802 60.802 61.222 -0.420 18098 15 1 . 1 1 12 12 ILE CB C 12 38.531 38.531 37.522 1.009 18098 16 1 . 1 1 12 12 ILE H H 12 8.088 8.088 8.355 -0.267 18098 17 1 . 1 1 13 13 LYS N N 13 126.072 126.072 127.472 -1.400 18098 18 1 . 1 1 13 13 LYS HA H 13 4.328 4.328 4.379 -0.051 18098 19 1 . 1 1 13 13 LYS C C 13 176.108 176.108 176.215 -0.107 18098 20 1 . 1 1 13 13 LYS CA C 13 56.053 56.053 56.197 -0.144 18098 21 1 . 1 1 13 13 LYS CB C 13 32.915 32.915 32.394 0.521 18098 22 1 . 1 1 13 13 LYS H H 13 8.381 8.381 8.439 -0.058 18098 23 1 . 1 1 14 14 ARG N N 14 123.714 123.714 123.121 0.593 18098 24 1 . 1 1 14 14 ARG HA H 14 4.444 4.444 4.343 0.101 18098 25 1 . 1 1 14 14 ARG C C 14 176.428 176.428 176.044 0.384 18098 26 1 . 1 1 14 14 ARG CA C 14 55.742 55.742 56.726 -0.984 18098 27 1 . 1 1 14 14 ARG CB C 14 30.781 30.781 30.574 0.207 18098 28 1 . 1 1 14 14 ARG H H 14 8.484 8.484 8.377 0.107 18098 29 1 . 1 1 15 15 THR N N 15 115.338 115.338 114.823 0.515 18098 30 1 . 1 1 15 15 THR HA H 15 4.367 4.367 4.382 -0.015 18098 31 1 . 1 1 15 15 THR C C 15 174.172 174.172 174.445 -0.273 18098 32 1 . 1 1 15 15 THR CA C 15 61.501 61.501 62.284 -0.783 18098 33 1 . 1 1 15 15 THR CB C 15 69.868 69.868 69.105 0.763 18098 34 1 . 1 1 15 15 THR H H 15 8.279 8.279 8.066 0.213 18098 35 1 . 1 1 16 16 ASN N N 16 120.727 120.727 122.063 -1.336 18098 36 1 . 1 1 16 16 ASN HA H 16 4.678 4.678 4.653 0.025 18098 37 1 . 1 1 16 16 ASN C C 16 174.482 174.482 174.151 0.331 18098 38 1 . 1 1 16 16 ASN CA C 16 53.072 53.072 53.543 -0.471 18098 39 1 . 1 1 16 16 ASN CB C 16 38.381 38.381 38.964 -0.583 18098 40 1 . 1 1 16 16 ASN H H 16 8.612 8.612 8.335 0.277 18098 41 1 . 1 1 17 17 GLU N N 17 123.790 123.790 121.622 2.168 18098 42 1 . 1 1 17 17 GLU HA H 17 4.601 4.601 4.490 0.111 18098 43 1 . 1 1 17 17 GLU C C 17 173.823 173.823 174.431 -0.608 18098 44 1 . 1 1 17 17 GLU CA C 17 53.965 53.965 54.428 -0.463 18098 45 1 . 1 1 17 17 GLU CB C 17 31.763 31.763 30.158 1.605 18098 46 1 . 1 1 17 17 GLU H H 17 8.113 8.113 8.259 -0.146 18098 47 1 . 1 1 18 18 PRO HA H 18 4.515 4.515 4.457 0.058 18098 48 1 . 1 1 18 18 PRO C C 18 177.709 177.709 177.205 0.504 18098 49 1 . 1 1 18 18 PRO CA C 18 62.765 62.765 62.261 0.504 18098 50 1 . 1 1 18 18 PRO CB C 18 32.481 32.481 32.593 -0.112 18098 51 1 . 1 1 19 19 LEU N N 19 123.760 123.760 122.993 0.767 18098 52 1 . 1 1 19 19 LEU HA H 19 4.006 4.006 4.071 -0.065 18098 53 1 . 1 1 19 19 LEU C C 19 178.307 178.307 178.394 -0.087 18098 54 1 . 1 1 19 19 LEU CA C 19 58.463 58.463 57.852 0.611 18098 55 1 . 1 1 19 19 LEU CB C 19 41.798 41.798 41.303 0.495 18098 56 1 . 1 1 19 19 LEU H H 19 8.720 8.720 8.563 0.157 18098 57 1 . 1 1 20 20 ASP N N 20 115.650 115.650 118.704 -3.054 18098 58 1 . 1 1 20 20 ASP HA H 20 4.361 4.361 4.373 -0.012 18098 59 1 . 1 1 20 20 ASP C C 20 179.531 179.531 178.586 0.945 18098 60 1 . 1 1 20 20 ASP CA C 20 57.087 57.087 57.715 -0.628 18098 61 1 . 1 1 20 20 ASP CB C 20 39.321 39.321 40.329 -1.008 18098 62 1 . 1 1 20 20 ASP H H 20 8.829 8.829 8.786 0.043 18098 63 1 . 1 1 21 21 LYS N N 21 121.462 121.462 119.301 2.161 18098 64 1 . 1 1 21 21 LYS HA H 21 4.132 4.132 4.078 0.054 18098 65 1 . 1 1 21 21 LYS C C 21 178.421 178.421 178.696 -0.275 18098 66 1 . 1 1 21 21 LYS CA C 21 58.283 58.283 58.922 -0.638 18098 67 1 . 1 1 21 21 LYS CB C 21 31.980 31.980 32.420 -0.440 18098 68 1 . 1 1 21 21 LYS H H 21 7.352 7.352 7.714 -0.362 18098 69 1 . 1 1 22 22 LYS N N 22 123.296 123.296 120.467 2.829 18098 70 1 . 1 1 22 22 LYS HA H 22 3.990 3.990 4.062 -0.072 18098 71 1 . 1 1 22 22 LYS C C 22 178.179 178.179 178.564 -0.385 18098 72 1 . 1 1 22 22 LYS CA C 22 59.854 59.854 59.574 0.280 18098 73 1 . 1 1 22 22 LYS CB C 22 32.787 32.787 32.388 0.399 18098 74 1 . 1 1 22 22 LYS H H 22 8.407 8.407 7.906 0.501 18098 75 1 . 1 1 23 23 ARG N N 23 116.950 116.950 119.003 -2.053 18098 76 1 . 1 1 23 23 ARG HA H 23 3.734 3.734 4.000 -0.266 18098 77 1 . 1 1 23 23 ARG C C 23 177.460 177.460 178.390 -0.930 18098 78 1 . 1 1 23 23 ARG CA C 23 60.505 60.505 59.497 1.008 18098 79 1 . 1 1 23 23 ARG CB C 23 30.267 30.267 30.134 0.133 18098 80 1 . 1 1 23 23 ARG H H 23 8.594 8.594 8.061 0.533 18098 81 1 . 1 1 24 24 ALA N N 24 118.391 118.391 120.922 -2.531 18098 82 1 . 1 1 24 24 ALA HA H 24 4.044 4.044 4.107 -0.063 18098 83 1 . 1 1 24 24 ALA C C 24 180.514 180.514 179.666 0.848 18098 84 1 . 1 1 24 24 ALA CA C 24 55.069 55.069 55.044 0.025 18098 85 1 . 1 1 24 24 ALA CB C 24 17.934 17.934 18.185 -0.251 18098 86 1 . 1 1 24 24 ALA H H 24 7.505 7.505 7.972 -0.467 18098 87 1 . 1 1 25 25 ARG N N 25 120.413 120.413 119.294 1.119 18098 88 1 . 1 1 25 25 ARG HA H 25 4.207 4.207 4.158 0.049 18098 89 1 . 1 1 25 25 ARG C C 25 178.058 178.058 178.764 -0.706 18098 90 1 . 1 1 25 25 ARG CA C 25 59.393 59.393 59.142 0.251 18098 91 1 . 1 1 25 25 ARG CB C 25 29.612 29.612 30.251 -0.639 18098 92 1 . 1 1 25 25 ARG H H 25 8.291 8.291 7.869 0.422 18098 93 1 . 1 1 26 26 LEU N N 26 119.205 119.205 119.961 -0.757 18098 94 1 . 1 1 26 26 LEU HA H 26 4.145 4.145 4.165 -0.020 18098 95 1 . 1 1 26 26 LEU C C 26 180.642 180.642 179.338 1.304 18098 96 1 . 1 1 26 26 LEU CA C 26 57.775 57.775 57.888 -0.113 18098 97 1 . 1 1 26 26 LEU CB C 26 41.700 41.700 42.205 -0.505 18098 98 1 . 1 1 26 26 LEU H H 26 8.305 8.305 8.097 0.208 18098 99 1 . 1 1 27 27 ILE N N 27 123.643 123.643 118.850 4.793 18098 100 1 . 1 1 27 27 ILE HA H 27 3.601 3.601 3.814 -0.213 18098 101 1 . 1 1 27 27 ILE C C 27 177.716 177.716 178.677 -0.961 18098 102 1 . 1 1 27 27 ILE CA C 27 66.152 66.152 65.251 0.901 18098 103 1 . 1 1 27 27 ILE CB C 27 37.841 37.841 37.804 0.037 18098 104 1 . 1 1 27 27 ILE H H 27 8.488 8.488 8.094 0.394 18098 105 1 . 1 1 28 28 TYR N N 28 121.443 121.443 120.778 0.665 18098 106 1 . 1 1 28 28 TYR HA H 28 4.215 4.215 4.051 0.164 18098 107 1 . 1 1 28 28 TYR C C 28 178.656 178.656 177.428 1.228 18098 108 1 . 1 1 28 28 TYR CA C 28 61.443 61.443 61.863 -0.420 18098 109 1 . 1 1 28 28 TYR CB C 28 37.834 37.834 38.466 -0.632 18098 110 1 . 1 1 28 28 TYR H H 28 7.832 7.832 7.938 -0.106 18098 111 1 . 1 1 29 29 GLN N N 29 115.999 115.999 116.719 -0.720 18098 112 1 . 1 1 29 29 GLN HA H 29 3.861 3.861 3.839 0.022 18098 113 1 . 1 1 29 29 GLN C C 29 178.537 178.537 178.038 0.499 18098 114 1 . 1 1 29 29 GLN CA C 29 58.197 58.197 58.079 0.118 18098 115 1 . 1 1 29 29 GLN CB C 29 29.288 29.288 28.674 0.614 18098 116 1 . 1 1 29 29 GLN H H 29 8.965 8.965 8.148 0.817 18098 117 1 . 1 1 30 30 SER N N 30 115.599 115.599 114.911 0.688 18098 118 1 . 1 1 30 30 SER HA H 30 4.100 4.100 4.252 -0.152 18098 119 1 . 1 1 30 30 SER C C 30 171.004 171.004 175.945 -4.941 18098 120 1 . 1 1 30 30 SER CA C 30 61.818 61.818 61.311 0.507 18098 121 1 . 1 1 30 30 SER CB C 30 63.196 63.196 63.402 -0.206 18098 122 1 . 1 1 30 30 SER H H 30 7.643 7.643 7.958 -0.315 18098 123 1 . 1 1 31 31 ARG N N 31 114.000 114.000 119.627 -5.627 18098 124 1 . 1 1 31 31 ARG HA H 31 4.626 4.626 4.420 0.206 18098 125 1 . 1 1 31 31 ARG C C 31 176.556 176.556 176.253 0.303 18098 126 1 . 1 1 31 31 ARG CA C 31 55.010 55.010 56.773 -1.763 18098 127 1 . 1 1 31 31 ARG CB C 31 30.659 30.659 30.647 0.012 18098 128 1 . 1 1 31 31 ARG H H 31 6.987 6.987 7.406 -0.419 18098 129 1 . 1 1 32 32 LYS N N 32 120.507 120.507 120.994 -0.487 18098 130 1 . 1 1 32 32 LYS HA H 32 4.505 4.505 4.256 0.249 18098 131 1 . 1 1 32 32 LYS C C 32 176.577 176.577 175.382 1.195 18098 132 1 . 1 1 32 32 LYS CA C 32 54.191 54.191 55.912 -1.721 18098 133 1 . 1 1 32 32 LYS CB C 32 31.070 31.070 32.410 -1.340 18098 134 1 . 1 1 32 32 LYS H H 32 7.245 7.245 7.383 -0.138 18098 135 1 . 1 1 33 33 ARG N N 33 119.630 119.630 122.983 -3.353 18098 136 1 . 1 1 33 33 ARG HA H 33 4.476 4.476 4.433 0.043 18098 137 1 . 1 1 33 33 ARG C C 33 177.289 177.289 176.051 1.238 18098 138 1 . 1 1 33 33 ARG CA C 33 52.389 52.389 54.738 -2.349 18098 139 1 . 1 1 33 33 ARG CB C 33 27.343 27.343 32.681 -5.338 18098 140 1 . 1 1 33 33 ARG H H 33 8.831 8.831 8.090 0.741 18098 141 1 . 1 1 34 34 GLY N N 34 107.776 107.776 109.442 -1.666 18098 142 1 . 1 1 34 34 GLY CA C 34 45.913 45.913 45.745 0.168 18098 143 1 . 1 1 34 34 GLY H H 34 8.652 8.652 8.535 0.117 18098 144 1 . 1 1 35 35 ILE HA H 35 4.346 4.346 4.198 0.148 18098 145 1 . 1 1 35 35 ILE C C 35 175.624 175.624 175.949 -0.325 18098 146 1 . 1 1 35 35 ILE CA C 35 58.004 58.004 59.507 -1.504 18098 147 1 . 1 1 35 35 ILE CB C 35 38.883 38.883 39.726 -0.843 18098 148 1 . 1 1 35 35 ILE H H 35 6.841 6.841 7.220 -0.379 18098 149 1 . 1 1 36 36 LEU N N 36 128.200 128.200 124.761 3.439 18098 150 1 . 1 1 36 36 LEU HA H 36 3.940 3.940 4.075 -0.135 18098 151 1 . 1 1 36 36 LEU C C 36 177.994 177.994 178.466 -0.472 18098 152 1 . 1 1 36 36 LEU CA C 36 58.018 58.018 57.301 0.717 18098 153 1 . 1 1 36 36 LEU CB C 36 41.883 41.883 40.851 1.032 18098 154 1 . 1 1 36 36 LEU H H 36 8.518 8.518 8.606 -0.088 18098 155 1 . 1 1 37 37 GLU N N 37 118.515 118.515 118.646 -0.131 18098 156 1 . 1 1 37 37 GLU HA H 37 3.540 3.540 3.904 -0.364 18098 157 1 . 1 1 37 37 GLU C C 37 179.332 179.332 178.536 0.796 18098 158 1 . 1 1 37 37 GLU CA C 37 61.507 61.507 59.478 2.029 18098 159 1 . 1 1 37 37 GLU CB C 37 27.735 27.735 28.219 -0.484 18098 160 1 . 1 1 37 37 GLU H H 37 9.964 9.964 8.392 1.572 18098 161 1 . 1 1 38 38 THR N N 38 111.283 111.283 114.221 -2.938 18098 162 1 . 1 1 38 38 THR HA H 38 3.867 3.867 4.031 -0.164 18098 163 1 . 1 1 38 38 THR C C 38 175.061 175.061 176.066 -1.005 18098 164 1 . 1 1 38 38 THR CA C 38 65.735 65.735 66.254 -0.519 18098 165 1 . 1 1 38 38 THR CB C 38 67.623 67.623 68.052 -0.429 18098 166 1 . 1 1 38 38 THR H H 38 6.425 6.425 7.608 -1.183 18098 167 1 . 1 1 39 39 ASP N N 39 124.325 124.325 123.412 0.913 18098 168 1 . 1 1 39 39 ASP HA H 39 4.513 4.513 4.398 0.115 18098 169 1 . 1 1 39 39 ASP C C 39 179.225 179.225 178.434 0.791 18098 170 1 . 1 1 39 39 ASP CA C 39 57.098 57.098 57.517 -0.419 18098 171 1 . 1 1 39 39 ASP CB C 39 41.883 41.883 40.810 1.073 18098 172 1 . 1 1 39 39 ASP H H 39 7.997 7.997 7.600 0.397 18098 173 1 . 1 1 40 40 LEU N N 40 118.757 118.757 119.234 -0.477 18098 174 1 . 1 1 40 40 LEU HA H 40 4.011 4.011 4.081 -0.070 18098 175 1 . 1 1 40 40 LEU C C 40 180.528 180.528 179.412 1.116 18098 176 1 . 1 1 40 40 LEU CA C 40 58.092 58.092 57.363 0.729 18098 177 1 . 1 1 40 40 LEU CB C 40 41.798 41.798 41.825 -0.027 18098 178 1 . 1 1 40 40 LEU H H 40 8.623 8.623 7.827 0.796 18098 179 1 . 1 1 41 41 LEU N N 41 119.923 119.923 120.994 -1.071 18098 180 1 . 1 1 41 41 LEU HA H 41 4.393 4.393 4.247 0.146 18098 181 1 . 1 1 41 41 LEU C C 41 177.631 177.631 178.536 -0.905 18098 182 1 . 1 1 41 41 LEU CA C 41 58.357 58.357 58.249 0.108 18098 183 1 . 1 1 41 41 LEU CB C 41 43.339 43.339 41.982 1.357 18098 184 1 . 1 1 41 41 LEU H H 41 7.382 7.382 7.479 -0.097 18098 185 1 . 1 1 42 42 LEU N N 42 115.623 115.623 117.841 -2.218 18098 186 1 . 1 1 42 42 LEU HA H 42 4.273 4.273 4.060 0.213 18098 187 1 . 1 1 42 42 LEU C C 42 179.489 179.489 179.397 0.092 18098 188 1 . 1 1 42 42 LEU CA C 42 57.569 57.569 57.825 -0.256 18098 189 1 . 1 1 42 42 LEU CB C 42 40.484 40.484 41.493 -1.009 18098 190 1 . 1 1 42 42 LEU H H 42 8.963 8.963 8.301 0.663 18098 191 1 . 1 1 43 43 SER N N 43 115.349 115.349 115.446 -0.097 18098 192 1 . 1 1 43 43 SER HA H 43 4.039 4.039 4.261 -0.222 18098 193 1 . 1 1 43 43 SER C C 43 178.200 178.200 177.037 1.163 18098 194 1 . 1 1 43 43 SER CA C 43 62.665 62.665 62.149 0.516 18098 195 1 . 1 1 43 43 SER CB C 43 62.476 62.476 62.868 -0.392 18098 196 1 . 1 1 43 43 SER H H 43 8.535 8.535 8.513 0.022 18098 197 1 . 1 1 44 44 GLY N N 44 110.034 110.034 109.359 0.675 18098 198 1 . 1 1 44 44 GLY C C 44 175.624 175.624 175.743 -0.119 18098 199 1 . 1 1 44 44 GLY CA C 44 47.144 47.144 46.913 0.231 18098 200 1 . 1 1 44 44 GLY H H 44 7.812 7.812 7.856 -0.044 18098 201 1 . 1 1 45 45 PHE N N 45 125.487 125.487 122.479 3.008 18098 202 1 . 1 1 45 45 PHE HA H 45 2.938 2.938 3.263 -0.325 18098 203 1 . 1 1 45 45 PHE C C 45 177.482 177.482 176.354 1.128 18098 204 1 . 1 1 45 45 PHE CA C 45 61.245 61.245 60.568 0.677 18098 205 1 . 1 1 45 45 PHE CB C 45 39.919 39.919 38.747 1.172 18098 206 1 . 1 1 45 45 PHE H H 45 8.542 8.542 7.829 0.713 18098 207 1 . 1 1 46 46 ALA N N 46 121.034 121.034 121.373 -0.339 18098 208 1 . 1 1 46 46 ALA HA H 46 3.732 3.732 3.774 -0.042 18098 209 1 . 1 1 46 46 ALA C C 46 179.916 179.916 179.001 0.915 18098 210 1 . 1 1 46 46 ALA CA C 46 54.708 54.708 54.772 -0.064 18098 211 1 . 1 1 46 46 ALA CB C 46 18.097 18.097 18.090 0.007 18098 212 1 . 1 1 46 46 ALA H H 46 9.262 9.262 8.107 1.155 18098 213 1 . 1 1 47 47 ALA N N 47 117.642 117.642 119.974 -2.332 18098 214 1 . 1 1 47 47 ALA HA H 47 3.971 3.971 4.064 -0.093 18098 215 1 . 1 1 47 47 ALA C C 47 178.250 178.250 178.640 -0.390 18098 216 1 . 1 1 47 47 ALA CA C 47 54.383 54.383 54.561 -0.178 18098 217 1 . 1 1 47 47 ALA CB C 47 18.201 18.201 18.494 -0.293 18098 218 1 . 1 1 47 47 ALA H H 47 7.481 7.481 7.771 -0.290 18098 219 1 . 1 1 48 48 LYS N N 48 115.388 115.388 117.575 -2.187 18098 220 1 . 1 1 48 48 LYS HA H 48 4.100 4.100 4.082 0.018 18098 221 1 . 1 1 48 48 LYS C C 48 177.845 177.845 178.584 -0.739 18098 222 1 . 1 1 48 48 LYS CA C 48 57.760 57.760 58.517 -0.757 18098 223 1 . 1 1 48 48 LYS CB C 48 33.786 33.786 33.092 0.694 18098 224 1 . 1 1 48 48 LYS H H 48 7.056 7.056 7.452 -0.396 18098 225 1 . 1 1 49 49 TYR N N 49 112.714 112.714 117.436 -4.722 18098 226 1 . 1 1 49 49 TYR HA H 49 4.296 4.296 4.082 0.214 18098 227 1 . 1 1 49 49 TYR C C 49 178.272 178.272 178.033 0.239 18098 228 1 . 1 1 49 49 TYR CA C 49 60.123 60.123 60.992 -0.869 18098 229 1 . 1 1 49 49 TYR CB C 49 40.260 40.260 38.105 2.156 18098 230 1 . 1 1 49 49 TYR H H 49 7.941 7.941 7.949 -0.008 18098 231 1 . 1 1 50 50 LEU N N 50 120.890 120.890 118.605 2.285 18098 232 1 . 1 1 50 50 LEU HA H 50 3.975 3.975 3.884 0.091 18098 233 1 . 1 1 50 50 LEU C C 50 180.108 180.108 178.258 1.850 18098 234 1 . 1 1 50 50 LEU CA C 50 59.709 59.709 57.648 2.061 18098 235 1 . 1 1 50 50 LEU CB C 50 40.837 40.837 41.191 -0.354 18098 236 1 . 1 1 50 50 LEU H H 50 7.945 7.945 7.700 0.245 18098 237 1 . 1 1 51 51 LYS N N 51 115.335 115.335 117.242 -1.907 18098 238 1 . 1 1 51 51 LYS HA H 51 3.858 3.858 3.994 -0.136 18098 239 1 . 1 1 51 51 LYS C C 51 176.051 176.051 177.672 -1.621 18098 240 1 . 1 1 51 51 LYS CA C 51 58.805 58.805 58.583 0.222 18098 241 1 . 1 1 51 51 LYS CB C 51 31.507 31.507 32.203 -0.696 18098 242 1 . 1 1 51 51 LYS H H 51 8.463 8.463 8.103 0.360 18098 243 1 . 1 1 52 52 LYS N N 52 115.175 115.175 115.466 -0.291 18098 244 1 . 1 1 52 52 LYS HA H 52 4.410 4.410 4.298 0.112 18098 245 1 . 1 1 52 52 LYS C C 52 176.777 176.777 176.859 -0.082 18098 246 1 . 1 1 52 52 LYS CA C 52 55.085 55.085 56.063 -0.978 18098 247 1 . 1 1 52 52 LYS CB C 52 33.116 33.116 33.222 -0.106 18098 248 1 . 1 1 52 52 LYS H H 52 7.232 7.232 7.541 -0.309 18098 249 1 . 1 1 53 53 MET N N 53 120.127 120.127 120.732 -0.605 18098 250 1 . 1 1 53 53 MET HA H 53 4.485 4.485 4.390 0.095 18098 251 1 . 1 1 53 53 MET C C 53 176.179 176.179 175.445 0.734 18098 252 1 . 1 1 53 53 MET CA C 53 57.091 57.091 55.995 1.096 18098 253 1 . 1 1 53 53 MET CB C 53 34.125 34.125 33.647 0.478 18098 254 1 . 1 1 53 53 MET H H 53 7.175 7.175 7.611 -0.436 18098 255 1 . 1 1 54 54 ASN N N 54 120.819 120.819 122.741 -1.922 18098 256 1 . 1 1 54 54 ASN HA H 54 4.765 4.765 4.800 -0.035 18098 257 1 . 1 1 54 54 ASN C C 54 175.154 175.154 176.093 -0.939 18098 258 1 . 1 1 54 54 ASN CA C 54 50.941 50.941 52.757 -1.816 18098 259 1 . 1 1 54 54 ASN CB C 54 38.535 38.535 39.896 -1.361 18098 260 1 . 1 1 54 54 ASN H H 54 9.045 9.045 8.649 0.396 18098 261 1 . 1 1 55 55 GLU N N 55 116.971 116.971 121.447 -4.476 18098 262 1 . 1 1 55 55 GLU HA H 55 3.824 3.824 3.953 -0.129 18098 263 1 . 1 1 55 55 GLU C C 55 178.122 178.122 178.262 -0.140 18098 264 1 . 1 1 55 55 GLU CA C 55 61.252 61.252 60.455 0.797 18098 265 1 . 1 1 55 55 GLU CB C 55 29.669 29.669 29.465 0.204 18098 266 1 . 1 1 55 55 GLU H H 55 8.891 8.891 8.946 -0.055 18098 267 1 . 1 1 56 56 GLU N N 56 119.652 119.652 117.606 2.046 18098 268 1 . 1 1 56 56 GLU HA H 56 4.137 4.137 4.185 -0.048 18098 269 1 . 1 1 56 56 GLU C C 56 179.937 179.937 179.080 0.857 18098 270 1 . 1 1 56 56 GLU CA C 56 59.816 59.816 59.221 0.595 18098 271 1 . 1 1 56 56 GLU CB C 56 29.082 29.082 29.077 0.005 18098 272 1 . 1 1 56 56 GLU H H 56 8.366 8.366 8.668 -0.302 18098 273 1 . 1 1 57 57 GLU N N 57 122.119 122.119 119.692 2.427 18098 274 1 . 1 1 57 57 GLU HA H 57 4.265 4.265 4.229 0.036 18098 275 1 . 1 1 57 57 GLU C C 57 179.332 179.332 179.199 0.133 18098 276 1 . 1 1 57 57 GLU CA C 57 59.159 59.159 58.581 0.579 18098 277 1 . 1 1 57 57 GLU CB C 57 29.300 29.300 29.572 -0.272 18098 278 1 . 1 1 57 57 GLU H H 57 8.491 8.491 7.837 0.654 18098 279 1 . 1 1 58 58 LEU N N 58 119.424 119.424 119.527 -0.103 18098 280 1 . 1 1 58 58 LEU HA H 58 4.136 4.136 4.147 -0.012 18098 281 1 . 1 1 58 58 LEU C C 58 179.218 179.218 179.276 -0.058 18098 282 1 . 1 1 58 58 LEU CA C 58 57.685 57.685 58.046 -0.361 18098 283 1 . 1 1 58 58 LEU CB C 58 41.850 41.850 41.707 0.143 18098 284 1 . 1 1 58 58 LEU H H 58 8.693 8.693 8.282 0.411 18098 285 1 . 1 1 59 59 GLU N N 59 118.813 118.813 118.049 0.764 18098 286 1 . 1 1 59 59 GLU HA H 59 4.300 4.300 4.079 0.221 18098 287 1 . 1 1 59 59 GLU C C 59 179.361 179.361 179.030 0.331 18098 288 1 . 1 1 59 59 GLU CA C 59 59.039 59.039 59.244 -0.205 18098 289 1 . 1 1 59 59 GLU CB C 59 29.105 29.105 29.032 0.072 18098 290 1 . 1 1 59 59 GLU H H 59 8.009 8.009 8.154 -0.145 18098 291 1 . 1 1 60 60 GLU N N 60 121.472 121.472 120.929 0.543 18098 292 1 . 1 1 60 60 GLU HA H 60 4.256 4.256 4.175 0.081 18098 293 1 . 1 1 60 60 GLU C C 60 178.451 178.451 178.617 -0.166 18098 294 1 . 1 1 60 60 GLU CA C 60 59.649 59.649 58.815 0.834 18098 295 1 . 1 1 60 60 GLU CB C 60 29.764 29.764 29.652 0.112 18098 296 1 . 1 1 60 60 GLU H H 60 7.867 7.867 7.798 0.069 18098 297 1 . 1 1 61 61 TYR N N 61 121.955 121.955 120.176 1.779 18098 298 1 . 1 1 61 61 TYR HA H 61 4.134 4.134 4.300 -0.166 18098 299 1 . 1 1 61 61 TYR C C 61 176.278 176.278 177.503 -1.225 18098 300 1 . 1 1 61 61 TYR CA C 61 62.171 62.171 61.007 1.164 18098 301 1 . 1 1 61 61 TYR CB C 61 38.190 38.190 38.681 -0.491 18098 302 1 . 1 1 61 61 TYR H H 61 8.675 8.675 8.118 0.557 18098 303 1 . 1 1 62 62 ASP N N 62 118.314 118.314 118.950 -0.636 18098 304 1 . 1 1 62 62 ASP HA H 62 4.263 4.263 4.238 0.025 18098 305 1 . 1 1 62 62 ASP C C 62 178.464 178.464 178.374 0.090 18098 306 1 . 1 1 62 62 ASP CA C 62 56.745 56.745 57.598 -0.853 18098 307 1 . 1 1 62 62 ASP CB C 62 41.545 41.545 40.682 0.863 18098 308 1 . 1 1 62 62 ASP H H 62 8.481 8.481 8.185 0.296 18098 309 1 . 1 1 63 63 SER N N 63 111.380 111.380 115.100 -3.720 18098 310 1 . 1 1 63 63 SER HA H 63 4.361 4.361 4.254 0.107 18098 311 1 . 1 1 63 63 SER C C 63 178.763 178.763 176.490 2.273 18098 312 1 . 1 1 63 63 SER CA C 63 61.824 61.824 61.449 0.375 18098 313 1 . 1 1 63 63 SER CB C 63 62.830 62.830 63.347 -0.517 18098 314 1 . 1 1 63 63 SER H H 63 7.779 7.779 7.725 0.054 18098 315 1 . 1 1 64 64 LEU N N 64 127.444 127.444 122.284 5.160 18098 316 1 . 1 1 64 64 LEU HA H 64 4.056 4.056 4.238 -0.182 18098 317 1 . 1 1 64 64 LEU C C 64 177.688 177.688 178.098 -0.410 18098 318 1 . 1 1 64 64 LEU CA C 64 58.051 58.051 57.352 0.699 18098 319 1 . 1 1 64 64 LEU CB C 64 40.175 40.175 41.937 -1.762 18098 320 1 . 1 1 64 64 LEU H H 64 8.616 8.616 7.495 1.121 18098 321 1 . 1 1 65 65 LEU N N 65 114.503 114.503 118.062 -3.559 18098 322 1 . 1 1 65 65 LEU HA H 65 3.768 3.768 3.888 -0.120 18098 323 1 . 1 1 65 65 LEU C C 65 178.506 178.506 178.185 0.321 18098 324 1 . 1 1 65 65 LEU CA C 65 56.365 56.365 57.004 -0.639 18098 325 1 . 1 1 65 65 LEU CB C 65 40.463 40.463 40.929 -0.466 18098 326 1 . 1 1 65 65 LEU H H 65 7.700 7.700 7.634 0.066 18098 327 1 . 1 1 66 66 ASN N N 66 116.208 116.208 115.445 0.763 18098 328 1 . 1 1 66 66 ASN HA H 66 4.739 4.739 4.702 0.037 18098 329 1 . 1 1 66 66 ASN C C 66 176.008 176.008 175.436 0.572 18098 330 1 . 1 1 66 66 ASN CA C 66 53.886 53.886 53.952 -0.066 18098 331 1 . 1 1 66 66 ASN CB C 66 39.259 39.259 38.897 0.362 18098 332 1 . 1 1 66 66 ASN H H 66 7.533 7.533 7.710 -0.177 18098 333 1 . 1 1 67 67 GLU N N 67 120.300 120.300 120.046 0.254 18098 334 1 . 1 1 67 67 GLU HA H 67 4.489 4.489 4.516 -0.027 18098 335 1 . 1 1 67 67 GLU C C 67 175.410 175.410 175.768 -0.358 18098 336 1 . 1 1 67 67 GLU CA C 67 54.966 54.966 55.303 -0.337 18098 337 1 . 1 1 67 67 GLU CB C 67 28.420 28.420 30.850 -2.430 18098 338 1 . 1 1 67 67 GLU H H 67 7.948 7.948 7.524 0.424 18098 339 1 . 1 1 68 68 LEU N N 68 120.037 120.037 122.023 -1.986 18098 340 1 . 1 1 68 68 LEU HA H 68 4.130 4.130 4.325 -0.195 18098 341 1 . 1 1 68 68 LEU C C 68 178.720 178.720 177.714 1.006 18098 342 1 . 1 1 68 68 LEU CA C 68 54.706 54.706 54.587 0.119 18098 343 1 . 1 1 68 68 LEU CB C 68 41.508 41.508 42.527 -1.019 18098 344 1 . 1 1 68 68 LEU H H 68 9.451 9.451 8.439 1.012 18098 345 1 . 1 1 69 69 ASP N N 69 120.774 120.774 125.101 -4.327 18098 346 1 . 1 1 69 69 ASP HA H 69 4.177 4.177 4.103 0.074 18098 347 1 . 1 1 69 69 ASP C C 69 179.446 179.446 178.020 1.426 18098 348 1 . 1 1 69 69 ASP CA C 69 58.637 58.637 57.851 0.786 18098 349 1 . 1 1 69 69 ASP CB C 69 40.854 40.854 40.113 0.741 18098 350 1 . 1 1 69 69 ASP H H 69 8.445 8.445 8.717 -0.272 18098 351 1 . 1 1 70 70 TRP N N 70 117.865 117.865 119.776 -1.911 18098 352 1 . 1 1 70 70 TRP HA H 70 4.118 4.118 4.064 0.054 18098 353 1 . 1 1 70 70 TRP C C 70 176.983 176.983 178.096 -1.113 18098 354 1 . 1 1 70 70 TRP CA C 70 60.103 60.103 59.967 0.136 18098 355 1 . 1 1 70 70 TRP CB C 70 28.391 28.391 29.147 -0.756 18098 356 1 . 1 1 70 70 TRP H H 70 8.809 8.809 7.936 0.873 18098 357 1 . 1 1 71 71 ASP N N 71 116.993 116.993 118.673 -1.680 18098 358 1 . 1 1 71 71 ASP HA H 71 3.862 3.862 4.018 -0.156 18098 359 1 . 1 1 71 71 ASP C C 71 175.218 175.218 177.756 -2.538 18098 360 1 . 1 1 71 71 ASP CA C 71 57.453 57.453 57.647 -0.194 18098 361 1 . 1 1 71 71 ASP CB C 71 38.723 38.723 39.783 -1.060 18098 362 1 . 1 1 71 71 ASP H H 71 6.134 6.134 7.671 -1.537 18098 363 1 . 1 1 72 72 ILE N N 72 115.361 115.361 119.814 -4.453 18098 364 1 . 1 1 72 72 ILE HA H 72 2.872 2.872 3.286 -0.414 18098 365 1 . 1 1 72 72 ILE C C 72 177.097 177.097 177.589 -0.492 18098 366 1 . 1 1 72 72 ILE CA C 72 66.119 66.119 64.954 1.165 18098 367 1 . 1 1 72 72 ILE CB C 72 38.279 38.279 37.650 0.629 18098 368 1 . 1 1 72 72 ILE H H 72 7.302 7.302 7.510 -0.208 18098 369 1 . 1 1 73 73 TYR N N 73 116.121 116.121 120.431 -4.310 18098 370 1 . 1 1 73 73 TYR HA H 73 3.741 3.741 3.918 -0.177 18098 371 1 . 1 1 73 73 TYR C C 73 178.827 178.827 177.297 1.530 18098 372 1 . 1 1 73 73 TYR CA C 73 62.150 62.150 61.997 0.153 18098 373 1 . 1 1 73 73 TYR CB C 73 38.172 38.172 38.393 -0.221 18098 374 1 . 1 1 73 73 TYR H H 73 7.327 7.327 7.557 -0.230 18098 375 1 . 1 1 74 74 TYR N N 74 121.029 121.029 118.224 2.805 18098 376 1 . 1 1 74 74 TYR HA H 74 4.276 4.276 4.265 0.011 18098 377 1 . 1 1 74 74 TYR C C 74 178.165 178.165 177.993 0.172 18098 378 1 . 1 1 74 74 TYR CA C 74 59.277 59.277 59.245 0.032 18098 379 1 . 1 1 74 74 TYR CB C 74 35.784 35.784 37.707 -1.923 18098 380 1 . 1 1 74 74 TYR H H 74 8.922 8.922 7.796 1.126 18098 381 1 . 1 1 75 75 TRP N N 75 121.118 121.118 118.943 2.176 18098 382 1 . 1 1 75 75 TRP HA H 75 4.755 4.755 4.204 0.551 18098 383 1 . 1 1 75 75 TRP C C 75 180.599 180.599 178.357 2.242 18098 384 1 . 1 1 75 75 TRP CA C 75 57.770 57.770 58.714 -0.944 18098 385 1 . 1 1 75 75 TRP CB C 75 28.411 28.411 28.000 0.411 18098 386 1 . 1 1 75 75 TRP H H 75 9.201 9.201 7.876 1.325 18098 387 1 . 1 1 76 76 ALA N N 76 122.129 122.129 120.689 1.440 18098 388 1 . 1 1 76 76 ALA HA H 76 3.956 3.956 4.194 -0.238 18098 389 1 . 1 1 76 76 ALA C C 76 177.546 177.546 178.575 -1.028 18098 390 1 . 1 1 76 76 ALA CA C 76 55.200 55.200 54.102 1.098 18098 391 1 . 1 1 76 76 ALA CB C 76 19.225 19.225 18.913 0.312 18098 392 1 . 1 1 76 76 ALA H H 76 8.761 8.761 7.597 1.164 18098 393 1 . 1 1 77 77 THR N N 77 102.584 102.584 108.767 -6.183 18098 394 1 . 1 1 77 77 THR HA H 77 4.192 4.192 4.166 0.026 18098 395 1 . 1 1 77 77 THR C C 77 173.425 173.425 174.742 -1.317 18098 396 1 . 1 1 77 77 THR CA C 77 60.767 60.767 61.252 -0.485 18098 397 1 . 1 1 77 77 THR CB C 77 69.573 69.573 69.229 0.344 18098 398 1 . 1 1 77 77 THR H H 77 7.411 7.411 7.518 -0.106 18098 399 1 . 1 1 78 78 LYS N N 78 116.069 116.069 118.911 -2.842 18098 400 1 . 1 1 78 78 LYS HA H 78 2.830 2.830 3.690 -0.860 18098 401 1 . 1 1 78 78 LYS C C 78 174.514 174.514 175.294 -0.780 18098 402 1 . 1 1 78 78 LYS CA C 78 57.242 57.242 56.831 0.411 18098 403 1 . 1 1 78 78 LYS CB C 78 28.333 28.333 30.792 -2.459 18098 404 1 . 1 1 78 78 LYS H H 78 7.420 7.420 7.830 -0.410 18098 405 1 . 1 1 79 79 ASN N N 79 120.318 120.318 119.043 1.275 18098 406 1 . 1 1 79 79 ASN HA H 79 4.797 4.797 4.714 0.083 18098 407 1 . 1 1 79 79 ASN C C 79 175.581 175.581 175.090 0.491 18098 408 1 . 1 1 79 79 ASN CA C 79 50.595 50.595 52.805 -2.210 18098 409 1 . 1 1 79 79 ASN CB C 79 36.999 36.999 38.233 -1.234 18098 410 1 . 1 1 79 79 ASN H H 79 8.828 8.828 7.736 1.092 18098 411 1 . 1 1 80 80 PHE N N 80 120.545 120.545 118.893 1.652 18098 412 1 . 1 1 80 80 PHE HA H 80 4.869 4.869 4.738 0.131 18098 413 1 . 1 1 80 80 PHE C C 80 177.311 177.311 177.036 0.275 18098 414 1 . 1 1 80 80 PHE CA C 80 56.745 56.745 59.051 -2.306 18098 415 1 . 1 1 80 80 PHE CB C 80 38.211 38.211 38.217 -0.006 18098 416 1 . 1 1 80 80 PHE H H 80 7.581 7.581 7.818 -0.237 18098 417 1 . 1 1 81 81 LYS N N 81 118.568 118.568 119.228 -0.660 18098 418 1 . 1 1 81 81 LYS HA H 81 4.061 4.061 4.096 -0.035 18098 419 1 . 1 1 81 81 LYS C C 81 177.845 177.845 177.651 0.194 18098 420 1 . 1 1 81 81 LYS CA C 81 58.508 58.508 58.791 -0.283 18098 421 1 . 1 1 81 81 LYS CB C 81 32.091 32.091 32.001 0.090 18098 422 1 . 1 1 81 81 LYS H H 81 7.999 7.999 8.109 -0.110 18098 423 1 . 1 1 82 82 THR N N 82 111.828 111.828 112.138 -0.310 18098 424 1 . 1 1 82 82 THR HA H 82 4.098 4.098 4.183 -0.085 18098 425 1 . 1 1 82 82 THR C C 82 174.556 174.556 174.947 -0.391 18098 426 1 . 1 1 82 82 THR CA C 82 63.796 63.796 63.187 0.609 18098 427 1 . 1 1 82 82 THR CB C 82 68.509 68.509 69.306 -0.796 18098 428 1 . 1 1 82 82 THR H H 82 7.419 7.419 7.707 -0.288 18098 429 1 . 1 1 83 83 SER N N 83 115.546 115.546 118.539 -2.993 18098 430 1 . 1 1 83 83 SER HA H 83 5.000 5.000 5.055 -0.055 18098 431 1 . 1 1 83 83 SER C C 83 170.371 170.371 172.496 -2.125 18098 432 1 . 1 1 83 83 SER CA C 83 54.673 54.673 56.471 -1.798 18098 433 1 . 1 1 83 83 SER CB C 83 63.763 63.763 64.414 -0.651 18098 434 1 . 1 1 83 83 SER H H 83 7.312 7.312 7.800 -0.488 18098 435 1 . 1 1 84 84 PRO HA H 84 4.555 4.555 4.737 -0.182 18098 436 1 . 1 1 84 84 PRO C C 84 176.855 176.855 176.572 0.283 18098 437 1 . 1 1 84 84 PRO CA C 84 62.540 62.540 62.753 -0.213 18098 438 1 . 1 1 84 84 PRO CB C 84 32.083 32.083 32.472 -0.389 18098 439 1 . 1 1 85 85 LEU N N 85 125.147 125.147 122.799 2.348 18098 440 1 . 1 1 85 85 LEU HA H 85 3.813 3.813 4.319 -0.506 18098 441 1 . 1 1 85 85 LEU C C 85 175.168 175.168 175.279 -0.111 18098 442 1 . 1 1 85 85 LEU CA C 85 52.337 52.337 52.188 0.149 18098 443 1 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.492 0.868 18098 444 1 . 1 1 85 85 LEU H H 85 8.171 8.171 8.326 -0.155 18098 445 1 . 1 1 86 86 PRO HA H 86 4.508 4.508 4.623 -0.115 18098 446 1 . 1 1 86 86 PRO C C 86 177.111 177.111 176.883 0.228 18098 447 1 . 1 1 86 86 PRO CA C 86 62.261 62.261 62.137 0.124 18098 448 1 . 1 1 86 86 PRO CB C 86 32.775 32.775 32.905 -0.130 18098 449 1 . 1 1 87 87 ASP N N 87 123.224 123.224 120.946 2.278 18098 450 1 . 1 1 87 87 ASP HA H 87 4.155 4.155 4.215 -0.060 18098 451 1 . 1 1 87 87 ASP C C 87 178.392 178.392 177.563 0.829 18098 452 1 . 1 1 87 87 ASP CA C 87 57.499 57.499 57.430 0.069 18098 453 1 . 1 1 87 87 ASP CB C 87 40.120 40.120 40.554 -0.434 18098 454 1 . 1 1 87 87 ASP H H 87 8.649 8.649 8.588 0.061 18098 455 1 . 1 1 88 88 LYS N N 88 115.960 115.960 117.207 -1.247 18098 456 1 . 1 1 88 88 LYS HA H 88 3.831 3.831 3.872 -0.041 18098 457 1 . 1 1 88 88 LYS C C 88 176.585 176.585 176.824 -0.239 18098 458 1 . 1 1 88 88 LYS CA C 88 58.259 58.259 58.123 0.136 18098 459 1 . 1 1 88 88 LYS CB C 88 31.734 31.734 31.368 0.365 18098 460 1 . 1 1 88 88 LYS H H 88 8.344 8.344 8.240 0.104 18098 461 1 . 1 1 89 89 TRP N N 89 116.821 116.821 118.180 -1.359 18098 462 1 . 1 1 89 89 TRP HA H 89 4.814 4.814 4.655 0.159 18098 463 1 . 1 1 89 89 TRP C C 89 176.329 176.329 177.650 -1.321 18098 464 1 . 1 1 89 89 TRP CA C 89 56.147 56.147 56.687 -0.540 18098 465 1 . 1 1 89 89 TRP CB C 89 31.502 31.502 30.182 1.320 18098 466 1 . 1 1 89 89 TRP H H 89 7.145 7.145 7.216 -0.071 18098 467 1 . 1 1 90 90 ALA N N 90 122.680 122.680 123.355 -0.675 18098 468 1 . 1 1 90 90 ALA HA H 90 3.866 3.866 4.017 -0.151 18098 469 1 . 1 1 90 90 ALA C C 90 177.965 177.965 177.511 0.454 18098 470 1 . 1 1 90 90 ALA CA C 90 54.711 54.711 54.320 0.391 18098 471 1 . 1 1 90 90 ALA CB C 90 18.379 18.379 18.332 0.047 18098 472 1 . 1 1 90 90 ALA H H 90 7.456 7.456 7.639 -0.183 18098 473 1 . 1 1 91 91 ASN N N 91 114.054 114.054 114.138 -0.084 18098 474 1 . 1 1 91 91 ASN HA H 91 4.815 4.815 4.701 0.114 18098 475 1 . 1 1 91 91 ASN C C 91 174.727 174.727 174.804 -0.077 18098 476 1 . 1 1 91 91 ASN CA C 91 52.389 52.389 52.801 -0.412 18098 477 1 . 1 1 91 91 ASN CB C 91 38.707 38.707 38.519 0.188 18098 478 1 . 1 1 91 91 ASN H H 91 8.318 8.318 8.069 0.249 18098 479 1 . 1 1 92 92 SER N N 92 113.359 113.359 116.449 -3.090 18098 480 1 . 1 1 92 92 SER HA H 92 4.649 4.649 4.530 0.119 18098 481 1 . 1 1 92 92 SER C C 92 177.033 177.033 175.267 1.766 18098 482 1 . 1 1 92 92 SER CA C 92 57.599 57.599 58.325 -0.726 18098 483 1 . 1 1 92 92 SER CB C 92 64.454 64.454 64.520 -0.066 18098 484 1 . 1 1 92 92 SER H H 92 7.255 7.255 7.627 -0.372 18098 485 1 . 1 1 93 93 LYS N N 93 133.672 133.672 128.061 5.611 18098 486 1 . 1 1 93 93 LYS HA H 93 4.130 4.130 4.148 -0.018 18098 487 1 . 1 1 93 93 LYS C C 93 178.763 178.763 178.310 0.453 18098 488 1 . 1 1 93 93 LYS CA C 93 59.129 59.129 59.099 0.030 18098 489 1 . 1 1 93 93 LYS CB C 93 32.083 32.083 32.398 -0.316 18098 490 1 . 1 1 93 93 LYS H H 93 9.608 9.608 8.942 0.666 18098 491 1 . 1 1 94 94 LEU N N 94 122.086 122.086 120.413 1.673 18098 492 1 . 1 1 94 94 LEU HA H 94 4.351 4.351 4.222 0.129 18098 493 1 . 1 1 94 94 LEU C C 94 178.663 178.663 178.420 0.243 18098 494 1 . 1 1 94 94 LEU CA C 94 57.236 57.236 58.187 -0.951 18098 495 1 . 1 1 94 94 LEU CB C 94 41.161 41.161 41.865 -0.704 18098 496 1 . 1 1 94 94 LEU H H 94 8.000 8.000 8.059 -0.059 18098 497 1 . 1 1 95 95 LEU N N 95 118.720 118.720 118.607 0.113 18098 498 1 . 1 1 95 95 LEU HA H 95 3.925 3.925 3.879 0.046 18098 499 1 . 1 1 95 95 LEU C C 95 178.530 178.530 178.355 0.175 18098 500 1 . 1 1 95 95 LEU CA C 95 57.381 57.381 58.120 -0.739 18098 501 1 . 1 1 95 95 LEU CB C 95 40.924 40.924 41.668 -0.744 18098 502 1 . 1 1 95 95 LEU H H 95 7.997 7.997 7.811 0.186 18098 503 1 . 1 1 96 96 LYS N N 96 117.880 117.880 118.271 -0.391 18098 504 1 . 1 1 96 96 LYS HA H 96 4.256 4.256 4.099 0.157 18098 505 1 . 1 1 96 96 LYS C C 96 179.147 179.147 179.380 -0.233 18098 506 1 . 1 1 96 96 LYS CA C 96 59.462 59.462 59.691 -0.229 18098 507 1 . 1 1 96 96 LYS CB C 96 31.920 31.920 32.041 -0.121 18098 508 1 . 1 1 96 96 LYS H H 96 7.341 7.341 7.642 -0.301 18098 509 1 . 1 1 97 97 GLN N N 97 119.660 119.660 118.353 1.307 18098 510 1 . 1 1 97 97 GLN HA H 97 4.194 4.194 4.298 -0.104 18098 511 1 . 1 1 97 97 GLN C C 97 179.040 179.040 178.694 0.346 18098 512 1 . 1 1 97 97 GLN CA C 97 59.082 59.082 58.481 0.601 18098 513 1 . 1 1 97 97 GLN CB C 97 29.047 29.047 28.587 0.460 18098 514 1 . 1 1 97 97 GLN H H 97 8.007 8.007 8.078 -0.071 18098 515 1 . 1 1 98 98 LEU N N 98 122.983 122.983 121.530 1.453 18098 516 1 . 1 1 98 98 LEU HA H 98 3.851 3.851 3.866 -0.015 18098 517 1 . 1 1 98 98 LEU C C 98 178.841 178.841 178.663 0.178 18098 518 1 . 1 1 98 98 LEU CA C 98 58.081 58.081 57.562 0.519 18098 519 1 . 1 1 98 98 LEU CB C 98 41.896 41.896 41.433 0.463 18098 520 1 . 1 1 98 98 LEU H H 98 8.425 8.425 7.997 0.428 18098 521 1 . 1 1 99 99 GLN N N 99 119.099 119.099 118.628 0.471 18098 522 1 . 1 1 99 99 GLN HA H 99 4.640 4.640 4.215 0.425 18098 523 1 . 1 1 99 99 GLN C C 99 179.660 179.660 178.810 0.850 18098 524 1 . 1 1 99 99 GLN CA C 99 57.816 57.816 59.000 -1.184 18098 525 1 . 1 1 99 99 GLN CB C 99 27.417 27.417 28.754 -1.337 18098 526 1 . 1 1 99 99 GLN H H 99 8.594 8.594 8.263 0.331 18098 527 1 . 1 1 100 100 GLU N N 100 120.803 120.803 119.635 1.168 18098 528 1 . 1 1 100 100 GLU HA H 100 4.111 4.111 4.161 -0.050 18098 529 1 . 1 1 100 100 GLU C C 100 178.870 178.870 178.924 -0.054 18098 530 1 . 1 1 100 100 GLU CA C 100 59.449 59.449 58.957 0.492 18098 531 1 . 1 1 100 100 GLU CB C 100 29.380 29.380 29.560 -0.180 18098 532 1 . 1 1 100 100 GLU H H 100 8.353 8.353 7.964 0.389 18098 533 1 . 1 1 101 101 PHE N N 101 120.752 120.752 120.797 -0.045 18098 534 1 . 1 1 101 101 PHE HA H 101 4.473 4.473 4.405 0.068 18098 535 1 . 1 1 101 101 PHE C C 101 177.289 177.289 177.043 0.246 18098 536 1 . 1 1 101 101 PHE CA C 101 61.117 61.117 60.611 0.506 18098 537 1 . 1 1 101 101 PHE CB C 101 39.703 39.703 39.653 0.050 18098 538 1 . 1 1 101 101 PHE H H 101 8.544 8.544 8.205 0.339 18098 539 1 . 1 1 102 102 SER N N 102 112.889 112.889 114.355 -1.466 18098 540 1 . 1 1 102 102 SER HA H 102 3.821 3.821 3.990 -0.169 18098 541 1 . 1 1 102 102 SER C C 102 176.414 176.414 176.429 -0.015 18098 542 1 . 1 1 102 102 SER CA C 102 61.123 61.123 61.487 -0.364 18098 543 1 . 1 1 102 102 SER CB C 102 63.193 63.193 62.996 0.197 18098 544 1 . 1 1 102 102 SER H H 102 8.314 8.314 8.175 0.139 18098 545 1 . 1 1 103 103 GLU N N 103 118.066 118.066 119.377 -1.311 18098 546 1 . 1 1 103 103 GLU HA H 103 4.114 4.114 4.166 -0.052 18098 547 1 . 1 1 103 103 GLU C C 103 177.375 177.375 177.553 -0.178 18098 548 1 . 1 1 103 103 GLU CA C 103 57.801 57.801 58.279 -0.478 18098 549 1 . 1 1 103 103 GLU CB C 103 30.026 30.026 29.652 0.374 18098 550 1 . 1 1 103 103 GLU H H 103 7.809 7.809 7.719 0.090 18098 551 1 . 1 1 104 104 ASN N N 104 117.241 117.241 116.589 0.652 18098 552 1 . 1 1 104 104 ASN HA H 104 4.647 4.647 4.809 -0.162 18098 553 1 . 1 1 104 104 ASN C C 104 175.752 175.752 175.474 0.278 18098 554 1 . 1 1 104 104 ASN CA C 104 53.739 53.739 53.104 0.635 18098 555 1 . 1 1 104 104 ASN CB C 104 38.622 38.622 38.914 -0.291 18098 556 1 . 1 1 104 104 ASN H H 104 7.917 7.917 7.701 0.216 18098 557 1 . 1 1 105 105 LYS N N 105 121.903 121.903 120.354 1.549 18098 558 1 . 1 1 105 105 LYS HA H 105 4.068 4.068 3.703 0.365 18098 559 1 . 1 1 105 105 LYS C C 105 177.311 177.311 176.815 0.496 18098 560 1 . 1 1 105 105 LYS CA C 105 57.374 57.374 58.096 -0.722 18098 561 1 . 1 1 105 105 LYS CB C 105 32.037 32.037 31.553 0.484 18098 562 1 . 1 1 105 105 LYS H H 105 8.093 8.093 7.584 0.509 18098 563 1 . 1 1 106 106 GLU N N 106 119.595 119.595 118.121 1.474 18098 564 1 . 1 1 106 106 GLU HA H 106 4.269 4.269 4.411 -0.142 18098 565 1 . 1 1 106 106 GLU C C 106 176.585 176.585 176.244 0.341 18098 566 1 . 1 1 106 106 GLU CA C 106 56.691 56.691 56.372 0.319 18098 567 1 . 1 1 106 106 GLU CB C 106 29.700 29.700 30.072 -0.372 18098 568 1 . 1 1 106 106 GLU H H 106 8.200 8.200 8.176 0.024 18098 569 1 . 1 1 107 107 LYS N N 107 120.538 120.538 119.584 0.954 18098 570 1 . 1 1 107 107 LYS HA H 107 4.267 4.267 4.297 -0.030 18098 571 1 . 1 1 107 107 LYS C C 107 176.435 176.435 175.932 0.503 18098 572 1 . 1 1 107 107 LYS CA C 107 56.452 56.452 56.372 0.080 18098 573 1 . 1 1 107 107 LYS CB C 107 33.110 33.110 31.964 1.146 18098 574 1 . 1 1 107 107 LYS H H 107 7.838 7.838 7.895 -0.057 18098 575 1 . 1 1 108 108 GLU N N 108 122.869 122.869 121.564 1.305 18098 576 1 . 1 1 108 108 GLU HA H 108 4.317 4.317 4.459 -0.142 18098 577 1 . 1 1 108 108 GLU C C 108 175.403 175.403 176.077 -0.674 18098 578 1 . 1 1 108 108 GLU CA C 108 56.565 56.565 55.736 0.829 18098 579 1 . 1 1 108 108 GLU CB C 108 30.057 30.057 30.359 -0.302 18098 580 1 . 1 1 108 108 GLU H H 108 8.313 8.313 8.129 0.184 18098 stop_ save_