data_18224 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18224 _Entry.PDB_ID 2LOT 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 18224 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 122.762 122.762 121.531 1.231 18224 2 1 1 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.536 -0.098 18224 3 1 1 . 1 1 2 2 GLU C C 2 175.581 175.581 175.755 -0.174 18224 4 1 1 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.318 0.042 18224 5 1 1 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.096 0.486 18224 6 1 1 . 1 1 2 2 GLU H H 2 8.628 8.628 8.599 0.029 18224 7 1 1 . 1 1 3 3 GLU N N 3 121.071 121.071 124.321 -3.250 18224 8 1 1 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.503 -0.122 18224 9 1 1 . 1 1 3 3 GLU C C 3 176.457 176.457 176.148 0.309 18224 10 1 1 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.966 -0.618 18224 11 1 1 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.311 -1.112 18224 12 1 1 . 1 1 3 3 GLU H H 3 8.393 8.393 8.687 -0.294 18224 13 1 1 . 1 1 4 4 GLY N N 4 109.717 109.717 110.453 -0.736 18224 14 1 1 . 1 1 4 4 GLY C C 4 174.677 174.677 174.115 0.562 18224 15 1 1 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.181 0.460 18224 16 1 1 . 1 1 4 4 GLY H H 4 8.377 8.377 8.681 -0.304 18224 17 1 1 . 1 1 5 5 GLY N N 5 108.373 108.373 109.711 -1.338 18224 18 1 1 . 1 1 5 5 GLY C C 5 174.047 174.047 172.914 1.133 18224 19 1 1 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.665 0.907 18224 20 1 1 . 1 1 5 5 GLY H H 5 8.115 8.115 8.136 -0.021 18224 21 1 1 . 1 1 6 6 ASP N N 6 118.996 118.996 120.227 -1.231 18224 22 1 1 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.795 -0.146 18224 23 1 1 . 1 1 6 6 ASP C C 6 175.903 175.903 175.621 0.282 18224 24 1 1 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.923 0.122 18224 25 1 1 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.482 -3.138 18224 26 1 1 . 1 1 6 6 ASP H H 6 8.166 8.166 8.356 -0.190 18224 27 1 1 . 1 1 7 7 PHE N N 7 119.750 119.750 122.505 -2.755 18224 28 1 1 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.286 0.264 18224 29 1 1 . 1 1 7 7 PHE C C 7 175.919 175.919 174.431 1.488 18224 30 1 1 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.565 0.367 18224 31 1 1 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.411 -0.231 18224 32 1 1 . 1 1 7 7 PHE H H 7 8.151 8.151 8.443 -0.292 18224 33 1 1 . 1 1 8 8 ASP N N 8 118.526 118.526 124.150 -5.624 18224 34 1 1 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.777 -0.279 18224 35 1 1 . 1 1 8 8 ASP C C 8 175.787 175.787 174.653 1.134 18224 36 1 1 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.321 0.314 18224 37 1 1 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.240 -2.038 18224 38 1 1 . 1 1 8 8 ASP H H 8 8.161 8.161 8.165 -0.004 18224 39 1 1 . 1 1 9 9 ASN N N 9 117.291 117.291 119.164 -1.873 18224 40 1 1 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.647 -0.076 18224 41 1 1 . 1 1 9 9 ASN C C 9 175.142 175.142 173.915 1.227 18224 42 1 1 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.468 1.466 18224 43 1 1 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.098 0.694 18224 44 1 1 . 1 1 9 9 ASN H H 9 8.013 8.013 8.042 -0.029 18224 45 1 1 . 1 1 10 10 TYR N N 10 119.112 119.112 124.178 -5.066 18224 46 1 1 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.295 0.151 18224 47 1 1 . 1 1 10 10 TYR C C 10 175.513 175.513 175.170 0.343 18224 48 1 1 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.049 0.925 18224 49 1 1 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.481 1.402 18224 50 1 1 . 1 1 10 10 TYR H H 10 7.848 7.848 7.856 -0.008 18224 51 1 1 . 1 1 11 11 TYR N N 11 119.438 119.438 125.685 -6.247 18224 52 1 1 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.093 0.414 18224 53 1 1 . 1 1 11 11 TYR C C 11 175.939 175.939 174.768 1.171 18224 54 1 1 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.704 0.593 18224 55 1 1 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.924 0.043 18224 56 1 1 . 1 1 11 11 TYR H H 11 7.849 7.849 8.003 -0.154 18224 57 1 1 . 1 1 12 12 GLY N N 12 109.685 109.685 107.285 2.400 18224 58 1 1 . 1 1 12 12 GLY C C 12 174.099 174.099 173.173 0.926 18224 59 1 1 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.719 0.826 18224 60 1 1 . 1 1 12 12 GLY H H 12 7.792 7.792 8.444 -0.652 18224 61 1 1 . 1 1 13 13 ALA N N 13 123.072 123.072 126.393 -3.321 18224 62 1 1 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.169 0.106 18224 63 1 1 . 1 1 13 13 ALA C C 13 177.669 177.669 176.536 1.133 18224 64 1 1 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.205 0.765 18224 65 1 1 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.819 1.471 18224 66 1 1 . 1 1 13 13 ALA H H 13 7.880 7.880 8.188 -0.308 18224 67 1 1 . 1 1 14 14 ASP N N 14 117.540 117.540 122.511 -4.971 18224 68 1 1 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.705 -0.056 18224 69 1 1 . 1 1 14 14 ASP C C 14 175.649 175.649 175.113 0.536 18224 70 1 1 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.633 0.331 18224 71 1 1 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.493 0.189 18224 72 1 1 . 1 1 14 14 ASP H H 14 8.281 8.281 8.434 -0.153 18224 73 1 1 . 1 1 15 15 ASN N N 15 118.400 118.400 119.335 -0.935 18224 74 1 1 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.718 -0.032 18224 75 1 1 . 1 1 15 15 ASN C C 15 175.351 175.351 174.582 0.769 18224 76 1 1 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.815 -0.207 18224 77 1 1 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.643 -1.701 18224 78 1 1 . 1 1 15 15 ASN H H 15 8.137 8.137 7.830 0.307 18224 79 1 1 . 1 1 16 16 GLN N N 16 120.072 120.072 118.570 1.502 18224 80 1 1 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.034 0.326 18224 81 1 1 . 1 1 16 16 GLN C C 16 176.206 176.206 174.732 1.474 18224 82 1 1 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.698 -0.296 18224 83 1 1 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.088 3.081 18224 84 1 1 . 1 1 16 16 GLN H H 16 8.284 8.284 8.492 -0.208 18224 85 1 1 . 1 1 17 17 SER N N 17 116.112 116.112 114.876 1.236 18224 86 1 1 . 1 1 17 17 SER HA H 17 4.440 4.440 4.615 -0.175 18224 87 1 1 . 1 1 17 17 SER C C 17 174.568 174.568 175.118 -0.550 18224 88 1 1 . 1 1 17 17 SER CA C 17 58.911 58.911 57.605 1.306 18224 89 1 1 . 1 1 17 17 SER CB C 17 63.897 63.897 64.587 -0.690 18224 90 1 1 . 1 1 17 17 SER H H 17 8.211 8.211 7.875 0.336 18224 91 1 1 . 1 1 18 18 GLU N N 18 121.378 121.378 126.605 -5.227 18224 92 1 1 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.366 0.013 18224 93 1 1 . 1 1 18 18 GLU C C 18 175.934 175.934 175.781 0.153 18224 94 1 1 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.725 -0.319 18224 95 1 1 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.641 0.492 18224 96 1 1 . 1 1 18 18 GLU H H 18 8.262 8.262 8.991 -0.729 18224 97 1 1 . 1 1 19 19 CYS N N 19 119.418 119.418 120.722 -1.304 18224 98 1 1 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.680 -0.236 18224 99 1 1 . 1 1 19 19 CYS C C 19 174.568 174.568 173.908 0.660 18224 100 1 1 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.498 -0.659 18224 101 1 1 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.234 -0.261 18224 102 1 1 . 1 1 19 19 CYS H H 19 8.182 8.182 8.445 -0.263 18224 103 1 1 . 1 1 20 20 GLU N N 20 122.737 122.737 119.603 3.134 18224 104 1 1 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.149 0.158 18224 105 1 1 . 1 1 20 20 GLU C C 20 176.083 176.083 175.759 0.324 18224 106 1 1 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.924 -0.384 18224 107 1 1 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.547 -1.681 18224 108 1 1 . 1 1 20 20 GLU H H 20 8.303 8.303 7.995 0.308 18224 109 1 1 . 1 1 21 21 TYR N N 21 119.549 119.549 118.620 0.929 18224 110 1 1 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.061 0.413 18224 111 1 1 . 1 1 21 21 TYR C C 21 175.826 175.826 173.995 1.831 18224 112 1 1 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.289 -0.618 18224 113 1 1 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.254 1.335 18224 114 1 1 . 1 1 21 21 TYR H H 21 7.888 7.888 8.610 -0.722 18224 115 1 1 . 1 1 22 22 THR N N 22 112.218 112.218 111.780 0.438 18224 116 1 1 . 1 1 22 22 THR HA H 22 4.163 4.163 3.201 0.962 18224 117 1 1 . 1 1 22 22 THR C C 22 174.737 174.737 173.991 0.746 18224 118 1 1 . 1 1 22 22 THR CA C 22 62.778 62.778 62.937 -0.159 18224 119 1 1 . 1 1 22 22 THR CB C 22 69.531 69.531 68.803 0.728 18224 120 1 1 . 1 1 22 22 THR H H 22 7.683 7.683 6.857 0.826 18224 121 1 1 . 1 1 23 23 ASP N N 23 121.090 121.090 120.964 0.126 18224 122 1 1 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.756 -0.045 18224 123 1 1 . 1 1 23 23 ASP C C 23 176.279 176.279 176.181 0.098 18224 124 1 1 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.976 1.134 18224 125 1 1 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.078 -0.739 18224 126 1 1 . 1 1 23 23 ASP H H 23 8.059 8.059 7.141 0.918 18224 127 1 1 . 1 1 24 24 TRP N N 24 121.546 121.546 120.899 0.647 18224 128 1 1 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.379 0.107 18224 129 1 1 . 1 1 24 24 TRP C C 24 177.051 177.051 176.886 0.165 18224 130 1 1 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.515 1.313 18224 131 1 1 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.596 1.472 18224 132 1 1 . 1 1 24 24 TRP H H 24 7.888 7.888 6.975 0.913 18224 133 1 1 . 1 1 25 25 LYS N N 25 120.106 120.106 121.331 -1.225 18224 134 1 1 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.191 -0.201 18224 135 1 1 . 1 1 25 25 LYS C C 25 176.764 176.764 175.666 1.098 18224 136 1 1 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.695 0.027 18224 137 1 1 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.260 2.041 18224 138 1 1 . 1 1 25 25 LYS H H 25 7.620 7.620 8.241 -0.621 18224 139 1 1 . 1 1 26 26 SER N N 26 114.114 114.114 115.539 -1.425 18224 140 1 1 . 1 1 26 26 SER HA H 26 4.471 4.471 4.629 -0.158 18224 141 1 1 . 1 1 26 26 SER C C 26 175.124 175.124 174.598 0.526 18224 142 1 1 . 1 1 26 26 SER CA C 26 58.757 58.757 59.169 -0.412 18224 143 1 1 . 1 1 26 26 SER CB C 26 63.812 63.812 64.804 -0.992 18224 144 1 1 . 1 1 26 26 SER H H 26 7.796 7.796 8.839 -1.043 18224 145 1 1 . 1 1 27 27 SER N N 27 116.655 116.655 115.741 0.914 18224 146 1 1 . 1 1 27 27 SER HA H 27 4.386 4.386 4.690 -0.304 18224 147 1 1 . 1 1 27 27 SER C C 27 175.505 175.505 174.009 1.496 18224 148 1 1 . 1 1 27 27 SER CA C 27 59.611 59.611 58.627 0.984 18224 149 1 1 . 1 1 27 27 SER CB C 27 64.117 64.117 64.909 -0.792 18224 150 1 1 . 1 1 27 27 SER H H 27 8.046 8.046 8.015 0.031 18224 151 1 1 . 1 1 28 28 GLY N N 28 111.049 111.049 109.261 1.788 18224 152 1 1 . 1 1 28 28 GLY C C 28 174.495 174.495 174.402 0.093 18224 153 1 1 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.614 0.507 18224 154 1 1 . 1 1 28 28 GLY H H 28 8.304 8.304 7.794 0.510 18224 155 1 1 . 1 1 29 29 ALA N N 29 121.693 121.693 120.435 1.258 18224 156 1 1 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.961 0.388 18224 157 1 1 . 1 1 29 29 ALA C C 29 177.695 177.695 176.769 0.926 18224 158 1 1 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.442 -0.331 18224 159 1 1 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.019 1.945 18224 160 1 1 . 1 1 29 29 ALA H H 29 7.941 7.941 8.119 -0.178 18224 161 1 1 . 1 1 30 30 LEU N N 30 117.996 117.996 114.884 3.112 18224 162 1 1 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.442 -0.260 18224 163 1 1 . 1 1 30 30 LEU C C 30 177.484 177.484 177.863 -0.379 18224 164 1 1 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.445 2.525 18224 165 1 1 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.281 -0.859 18224 166 1 1 . 1 1 30 30 LEU H H 30 7.968 7.968 7.758 0.210 18224 167 1 1 . 1 1 31 31 ILE N N 31 117.106 117.106 120.737 -3.631 18224 168 1 1 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.282 -0.343 18224 169 1 1 . 1 1 31 31 ILE C C 31 174.998 174.998 174.794 0.204 18224 170 1 1 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.840 2.082 18224 171 1 1 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.592 -0.484 18224 172 1 1 . 1 1 31 31 ILE H H 31 8.027 8.027 7.847 0.180 18224 173 1 1 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.305 -0.021 18224 174 1 1 . 1 1 32 32 PRO C C 32 178.663 178.663 178.246 0.417 18224 175 1 1 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.865 0.128 18224 176 1 1 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.809 0.246 18224 177 1 1 . 1 1 33 33 ALA N N 33 119.031 119.031 117.440 1.591 18224 178 1 1 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.089 0.077 18224 179 1 1 . 1 1 33 33 ALA C C 33 178.942 178.942 179.682 -0.740 18224 180 1 1 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.886 0.653 18224 181 1 1 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.408 0.077 18224 182 1 1 . 1 1 33 33 ALA H H 33 7.580 7.580 8.486 -0.906 18224 183 1 1 . 1 1 34 34 ILE N N 34 117.923 117.923 118.667 -0.744 18224 184 1 1 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.829 -0.130 18224 185 1 1 . 1 1 34 34 ILE C C 34 177.833 177.833 177.451 0.382 18224 186 1 1 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.257 0.855 18224 187 1 1 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.296 -0.945 18224 188 1 1 . 1 1 34 34 ILE H H 34 8.234 8.234 7.478 0.756 18224 189 1 1 . 1 1 35 35 TYR N N 35 118.746 118.746 120.596 -1.850 18224 190 1 1 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.058 0.057 18224 191 1 1 . 1 1 35 35 TYR C C 35 178.044 178.044 177.495 0.549 18224 192 1 1 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.372 -0.614 18224 193 1 1 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.534 -0.519 18224 194 1 1 . 1 1 35 35 TYR H H 35 8.355 8.355 8.114 0.241 18224 195 1 1 . 1 1 36 36 MET N N 36 117.813 117.813 115.884 1.929 18224 196 1 1 . 1 1 36 36 MET HA H 36 4.281 4.281 4.327 -0.046 18224 197 1 1 . 1 1 36 36 MET C C 36 178.139 178.139 178.744 -0.605 18224 198 1 1 . 1 1 36 36 MET CA C 36 58.482 58.482 58.483 -0.001 18224 199 1 1 . 1 1 36 36 MET CB C 36 31.716 31.716 32.698 -0.982 18224 200 1 1 . 1 1 36 36 MET H H 36 8.107 8.107 7.955 0.152 18224 201 1 1 . 1 1 37 37 LEU N N 37 120.311 120.311 121.626 -1.315 18224 202 1 1 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.089 -0.014 18224 203 1 1 . 1 1 37 37 LEU C C 37 178.399 178.399 178.008 0.391 18224 204 1 1 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.831 0.639 18224 205 1 1 . 1 1 37 37 LEU CB C 37 41.953 41.953 42.015 -0.062 18224 206 1 1 . 1 1 37 37 LEU H H 37 8.229 8.229 7.693 0.536 18224 207 1 1 . 1 1 38 38 VAL N N 38 118.080 118.080 115.642 2.438 18224 208 1 1 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.880 -0.355 18224 209 1 1 . 1 1 38 38 VAL C C 38 178.139 178.139 175.965 2.174 18224 210 1 1 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.865 3.287 18224 211 1 1 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.358 -0.908 18224 212 1 1 . 1 1 38 38 VAL H H 38 8.363 8.363 7.488 0.875 18224 213 1 1 . 1 1 39 39 PHE N N 39 120.151 120.151 119.988 0.163 18224 214 1 1 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.422 -0.199 18224 215 1 1 . 1 1 39 39 PHE C C 39 178.544 178.544 177.098 1.446 18224 216 1 1 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.270 0.056 18224 217 1 1 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.926 -2.010 18224 218 1 1 . 1 1 39 39 PHE H H 39 8.306 8.306 7.912 0.394 18224 219 1 1 . 1 1 40 40 LEU N N 40 121.004 121.004 119.798 1.206 18224 220 1 1 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.231 -0.208 18224 221 1 1 . 1 1 40 40 LEU C C 40 179.704 179.704 178.476 1.228 18224 222 1 1 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.626 0.312 18224 223 1 1 . 1 1 40 40 LEU CB C 40 42.292 42.292 40.942 1.350 18224 224 1 1 . 1 1 40 40 LEU H H 40 8.567 8.567 8.117 0.450 18224 225 1 1 . 1 1 41 41 LEU N N 41 119.593 119.593 118.379 1.214 18224 226 1 1 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.054 0.007 18224 227 1 1 . 1 1 41 41 LEU C C 41 178.966 178.966 178.712 0.254 18224 228 1 1 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.789 0.907 18224 229 1 1 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.029 0.763 18224 230 1 1 . 1 1 41 41 LEU H H 41 8.503 8.503 7.706 0.797 18224 231 1 1 . 1 1 42 42 GLY N N 42 105.838 105.838 104.804 1.034 18224 232 1 1 . 1 1 42 42 GLY C C 42 175.587 175.587 174.345 1.242 18224 233 1 1 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.484 1.086 18224 234 1 1 . 1 1 42 42 GLY H H 42 8.355 8.355 8.366 -0.011 18224 235 1 1 . 1 1 43 43 THR N N 43 112.333 112.333 112.225 0.108 18224 236 1 1 . 1 1 43 43 THR HA H 43 4.290 4.290 4.522 -0.232 18224 237 1 1 . 1 1 43 43 THR C C 43 175.765 175.765 174.550 1.215 18224 238 1 1 . 1 1 43 43 THR CA C 43 63.680 63.680 61.204 2.476 18224 239 1 1 . 1 1 43 43 THR CB C 43 69.626 69.626 70.450 -0.824 18224 240 1 1 . 1 1 43 43 THR H H 43 7.895 7.895 7.477 0.418 18224 241 1 1 . 1 1 44 44 THR N N 44 112.041 112.041 114.612 -2.571 18224 242 1 1 . 1 1 44 44 THR HA H 44 4.388 4.388 3.941 0.447 18224 243 1 1 . 1 1 44 44 THR C C 44 175.555 175.555 174.376 1.179 18224 244 1 1 . 1 1 44 44 THR CA C 44 62.732 62.732 65.248 -2.516 18224 245 1 1 . 1 1 44 44 THR CB C 44 70.240 70.240 68.189 2.051 18224 246 1 1 . 1 1 44 44 THR H H 44 7.684 7.684 8.378 -0.694 18224 247 1 1 . 1 1 45 45 GLY N N 45 109.756 109.756 110.602 -0.846 18224 248 1 1 . 1 1 45 45 GLY C C 45 174.948 174.948 172.753 2.195 18224 249 1 1 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.155 1.197 18224 250 1 1 . 1 1 45 45 GLY H H 45 8.058 8.058 8.341 -0.283 18224 251 1 1 . 1 1 46 46 ASN N N 46 117.561 117.561 119.293 -1.732 18224 252 1 1 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.848 -0.003 18224 253 1 1 . 1 1 46 46 ASN C C 46 175.853 175.853 175.608 0.245 18224 254 1 1 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.906 1.186 18224 255 1 1 . 1 1 46 46 ASN CB C 46 39.513 39.513 40.382 -0.869 18224 256 1 1 . 1 1 46 46 ASN H H 46 8.202 8.202 7.432 0.770 18224 257 1 1 . 1 1 47 47 GLY N N 47 108.715 108.715 112.354 -3.639 18224 258 1 1 . 1 1 47 47 GLY C C 47 174.431 174.431 175.001 -0.570 18224 259 1 1 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.180 0.981 18224 260 1 1 . 1 1 47 47 GLY H H 47 8.600 8.600 8.731 -0.131 18224 261 1 1 . 1 1 48 48 LEU N N 48 120.089 120.089 121.351 -1.262 18224 262 1 1 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.322 -0.003 18224 263 1 1 . 1 1 48 48 LEU C C 48 179.243 179.243 178.115 1.128 18224 264 1 1 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.687 1.629 18224 265 1 1 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.017 -0.179 18224 266 1 1 . 1 1 48 48 LEU H H 48 8.003 8.003 7.316 0.687 18224 267 1 1 . 1 1 49 49 VAL N N 49 120.573 120.573 119.944 0.629 18224 268 1 1 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.800 0.021 18224 269 1 1 . 1 1 49 49 VAL C C 49 177.520 177.520 177.692 -0.172 18224 270 1 1 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.174 -0.112 18224 271 1 1 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.919 -0.431 18224 272 1 1 . 1 1 49 49 VAL H H 49 7.910 7.910 7.754 0.156 18224 273 1 1 . 1 1 50 50 LEU N N 50 119.718 119.718 117.022 2.696 18224 274 1 1 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.133 -0.106 18224 275 1 1 . 1 1 50 50 LEU C C 50 178.169 178.169 178.362 -0.193 18224 276 1 1 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.484 0.567 18224 277 1 1 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.617 1.125 18224 278 1 1 . 1 1 50 50 LEU H H 50 7.860 7.860 8.185 -0.325 18224 279 1 1 . 1 1 51 51 TRP N N 51 118.071 118.071 120.908 -2.837 18224 280 1 1 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.448 0.094 18224 281 1 1 . 1 1 51 51 TRP C C 51 177.296 177.296 176.940 0.356 18224 282 1 1 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.831 0.087 18224 283 1 1 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.466 1.509 18224 284 1 1 . 1 1 51 51 TRP H H 51 8.109 8.109 7.681 0.428 18224 285 1 1 . 1 1 52 52 THR N N 52 113.243 113.243 113.966 -0.723 18224 286 1 1 . 1 1 52 52 THR HA H 52 3.773 3.773 3.803 -0.030 18224 287 1 1 . 1 1 52 52 THR C C 52 176.402 176.402 176.965 -0.563 18224 288 1 1 . 1 1 52 52 THR CA C 52 66.690 66.690 65.281 1.409 18224 289 1 1 . 1 1 52 52 THR CB C 52 68.921 68.921 68.899 0.022 18224 290 1 1 . 1 1 52 52 THR H H 52 8.072 8.072 8.082 -0.010 18224 291 1 1 . 1 1 53 53 VAL N N 53 120.307 120.307 122.373 -2.066 18224 292 1 1 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.657 0.006 18224 293 1 1 . 1 1 53 53 VAL C C 53 177.362 177.362 176.733 0.629 18224 294 1 1 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.911 0.381 18224 295 1 1 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.574 0.143 18224 296 1 1 . 1 1 53 53 VAL H H 53 8.006 8.006 7.337 0.669 18224 297 1 1 . 1 1 54 54 PHE N N 54 119.041 119.041 115.898 3.143 18224 298 1 1 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.390 -0.162 18224 299 1 1 . 1 1 54 54 PHE C C 54 177.476 177.476 175.672 1.804 18224 300 1 1 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.125 1.767 18224 301 1 1 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.246 0.350 18224 302 1 1 . 1 1 54 54 PHE H H 54 8.143 8.143 7.531 0.612 18224 303 1 1 . 1 1 55 55 ARG N N 55 117.543 117.543 117.444 0.099 18224 304 1 1 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.288 -0.425 18224 305 1 1 . 1 1 55 55 ARG C C 55 177.832 177.832 176.486 1.346 18224 306 1 1 . 1 1 55 55 ARG CA C 55 57.706 57.706 55.527 2.179 18224 307 1 1 . 1 1 55 55 ARG CB C 55 29.476 29.476 31.421 -1.945 18224 308 1 1 . 1 1 55 55 ARG H H 55 8.112 8.112 7.296 0.816 18224 309 1 1 . 1 1 56 56 LYS N N 56 118.390 118.390 118.308 0.082 18224 310 1 1 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.362 -0.199 18224 311 1 1 . 1 1 56 56 LYS C C 56 177.400 177.400 177.845 -0.445 18224 312 1 1 . 1 1 56 56 LYS CA C 56 57.710 57.710 57.569 0.141 18224 313 1 1 . 1 1 56 56 LYS CB C 56 32.779 32.779 33.382 -0.603 18224 314 1 1 . 1 1 56 56 LYS H H 56 7.789 7.789 7.590 0.199 18224 315 1 1 . 1 1 57 57 LYS N N 57 118.190 118.190 121.201 -3.011 18224 316 1 1 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.442 -0.183 18224 317 1 1 . 1 1 57 57 LYS C C 57 176.791 176.791 176.846 -0.055 18224 318 1 1 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.090 0.335 18224 319 1 1 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.291 1.532 18224 320 1 1 . 1 1 57 57 LYS H H 57 7.821 7.821 7.538 0.282 18224 321 1 1 . 1 1 58 58 GLY N N 58 107.289 107.289 110.763 -3.474 18224 322 1 1 . 1 1 58 58 GLY C C 58 173.607 173.607 175.102 -1.495 18224 323 1 1 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.037 0.437 18224 324 1 1 . 1 1 58 58 GLY H H 58 7.927 7.927 7.464 0.463 18224 325 1 1 . 1 1 59 59 HIS N N 59 116.847 116.847 117.587 -0.740 18224 326 1 1 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.536 0.157 18224 327 1 1 . 1 1 59 59 HIS C C 59 174.153 174.153 175.823 -1.670 18224 328 1 1 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.589 -1.431 18224 329 1 1 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.419 -1.504 18224 330 1 1 . 1 1 59 59 HIS H H 59 8.120 8.120 8.299 -0.179 18224 331 1 1 . 1 1 60 60 HIS N N 60 118.028 118.028 117.974 0.054 18224 332 1 1 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.226 0.466 18224 333 1 1 . 1 1 60 60 HIS C C 60 173.987 173.987 175.034 -1.047 18224 334 1 1 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.254 -1.746 18224 335 1 1 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.881 -1.056 18224 336 1 1 . 1 1 60 60 HIS H H 60 8.328 8.328 8.205 0.123 18224 337 1 1 . 1 1 61 61 HIS N N 61 118.101 118.101 115.589 2.512 18224 338 1 1 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.055 0.635 18224 339 1 1 . 1 1 61 61 HIS C C 61 174.032 174.032 174.789 -0.757 18224 340 1 1 . 1 1 61 61 HIS CA C 61 55.718 55.718 57.124 -1.406 18224 341 1 1 . 1 1 61 61 HIS CB C 61 28.895 28.895 28.764 0.132 18224 342 1 1 . 1 1 61 61 HIS H H 61 8.351 8.351 8.640 -0.289 18224 343 1 1 . 1 1 62 62 HIS N N 62 118.704 118.704 116.889 1.815 18224 344 1 1 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.356 0.345 18224 345 1 1 . 1 1 62 62 HIS C C 62 173.803 173.803 175.803 -2.000 18224 346 1 1 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.991 -1.387 18224 347 1 1 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.607 -1.444 18224 348 1 1 . 1 1 62 62 HIS H H 62 8.381 8.381 8.385 -0.004 18224 349 1 1 . 1 1 63 63 HIS N N 63 118.853 118.853 118.625 0.228 18224 350 1 1 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.475 0.206 18224 351 1 1 . 1 1 63 63 HIS C C 63 173.576 173.576 175.379 -1.803 18224 352 1 1 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.892 -2.194 18224 353 1 1 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.349 -1.216 18224 354 1 1 . 1 1 63 63 HIS H H 63 8.299 8.299 8.385 -0.086 18224 355 1 2 . 1 1 2 2 GLU N N 2 122.762 122.762 122.140 0.622 18224 356 1 2 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.541 -0.103 18224 357 1 2 . 1 1 2 2 GLU C C 2 175.581 175.581 175.326 0.255 18224 358 1 2 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.885 -0.525 18224 359 1 2 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.209 -0.627 18224 360 1 2 . 1 1 2 2 GLU H H 2 8.628 8.628 8.550 0.078 18224 361 1 2 . 1 1 3 3 GLU N N 3 121.071 121.071 121.215 -0.144 18224 362 1 2 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.556 -0.175 18224 363 1 2 . 1 1 3 3 GLU C C 3 176.457 176.457 176.420 0.037 18224 364 1 2 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.425 -0.077 18224 365 1 2 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.167 -0.968 18224 366 1 2 . 1 1 3 3 GLU H H 3 8.393 8.393 8.656 -0.263 18224 367 1 2 . 1 1 4 4 GLY N N 4 109.717 109.717 108.024 1.693 18224 368 1 2 . 1 1 4 4 GLY C C 4 174.677 174.677 175.317 -0.640 18224 369 1 2 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.033 0.608 18224 370 1 2 . 1 1 4 4 GLY H H 4 8.377 8.377 8.485 -0.108 18224 371 1 2 . 1 1 5 5 GLY N N 5 108.373 108.373 108.538 -0.165 18224 372 1 2 . 1 1 5 5 GLY C C 5 174.047 174.047 174.468 -0.421 18224 373 1 2 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.094 0.478 18224 374 1 2 . 1 1 5 5 GLY H H 5 8.115 8.115 8.009 0.106 18224 375 1 2 . 1 1 6 6 ASP N N 6 118.996 118.996 119.475 -0.479 18224 376 1 2 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.398 0.251 18224 377 1 2 . 1 1 6 6 ASP C C 6 175.903 175.903 174.554 1.349 18224 378 1 2 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.377 -0.333 18224 379 1 2 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.690 -1.346 18224 380 1 2 . 1 1 6 6 ASP H H 6 8.166 8.166 8.050 0.116 18224 381 1 2 . 1 1 7 7 PHE N N 7 119.750 119.750 122.935 -3.185 18224 382 1 2 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.789 -0.239 18224 383 1 2 . 1 1 7 7 PHE C C 7 175.919 175.919 173.410 2.509 18224 384 1 2 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.651 0.281 18224 385 1 2 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.973 -1.793 18224 386 1 2 . 1 1 7 7 PHE H H 7 8.151 8.151 7.981 0.170 18224 387 1 2 . 1 1 8 8 ASP N N 8 118.526 118.526 127.432 -8.906 18224 388 1 2 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.336 0.162 18224 389 1 2 . 1 1 8 8 ASP C C 8 175.787 175.787 174.422 1.365 18224 390 1 2 . 1 1 8 8 ASP CA C 8 54.635 54.635 53.965 0.670 18224 391 1 2 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.154 -1.952 18224 392 1 2 . 1 1 8 8 ASP H H 8 8.161 8.161 7.876 0.285 18224 393 1 2 . 1 1 9 9 ASN N N 9 117.291 117.291 117.123 0.168 18224 394 1 2 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.065 0.506 18224 395 1 2 . 1 1 9 9 ASN C C 9 175.142 175.142 173.850 1.292 18224 396 1 2 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.388 0.546 18224 397 1 2 . 1 1 9 9 ASN CB C 9 38.792 38.792 37.510 1.282 18224 398 1 2 . 1 1 9 9 ASN H H 9 8.013 8.013 6.570 1.443 18224 399 1 2 . 1 1 10 10 TYR N N 10 119.112 119.112 115.641 3.471 18224 400 1 2 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.039 0.407 18224 401 1 2 . 1 1 10 10 TYR C C 10 175.513 175.513 175.051 0.462 18224 402 1 2 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.274 0.700 18224 403 1 2 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.685 1.198 18224 404 1 2 . 1 1 10 10 TYR H H 10 7.848 7.848 7.633 0.215 18224 405 1 2 . 1 1 11 11 TYR N N 11 119.438 119.438 126.689 -7.251 18224 406 1 2 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.189 0.318 18224 407 1 2 . 1 1 11 11 TYR C C 11 175.939 175.939 176.388 -0.449 18224 408 1 2 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.210 1.087 18224 409 1 2 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.575 0.392 18224 410 1 2 . 1 1 11 11 TYR H H 11 7.849 7.849 7.995 -0.146 18224 411 1 2 . 1 1 12 12 GLY N N 12 109.685 109.685 107.803 1.882 18224 412 1 2 . 1 1 12 12 GLY C C 12 174.099 174.099 173.914 0.185 18224 413 1 2 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.231 1.314 18224 414 1 2 . 1 1 12 12 GLY H H 12 7.792 7.792 8.469 -0.677 18224 415 1 2 . 1 1 13 13 ALA N N 13 123.072 123.072 122.700 0.372 18224 416 1 2 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.625 -0.350 18224 417 1 2 . 1 1 13 13 ALA C C 13 177.669 177.669 176.135 1.534 18224 418 1 2 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.319 1.651 18224 419 1 2 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.790 0.500 18224 420 1 2 . 1 1 13 13 ALA H H 13 7.880 7.880 8.171 -0.291 18224 421 1 2 . 1 1 14 14 ASP N N 14 117.540 117.540 122.629 -5.089 18224 422 1 2 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.686 -0.037 18224 423 1 2 . 1 1 14 14 ASP C C 14 175.649 175.649 175.492 0.157 18224 424 1 2 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.726 -0.762 18224 425 1 2 . 1 1 14 14 ASP CB C 14 39.683 39.683 40.155 -0.472 18224 426 1 2 . 1 1 14 14 ASP H H 14 8.281 8.281 8.094 0.187 18224 427 1 2 . 1 1 15 15 ASN N N 15 118.400 118.400 119.496 -1.096 18224 428 1 2 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.860 -0.174 18224 429 1 2 . 1 1 15 15 ASN C C 15 175.351 175.351 174.888 0.463 18224 430 1 2 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.423 0.185 18224 431 1 2 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.045 -1.103 18224 432 1 2 . 1 1 15 15 ASN H H 15 8.137 8.137 8.145 -0.008 18224 433 1 2 . 1 1 16 16 GLN N N 16 120.072 120.072 120.881 -0.809 18224 434 1 2 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.474 -0.114 18224 435 1 2 . 1 1 16 16 GLN C C 16 176.206 176.206 175.341 0.865 18224 436 1 2 . 1 1 16 16 GLN CA C 16 56.402 56.402 54.920 1.482 18224 437 1 2 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.713 2.456 18224 438 1 2 . 1 1 16 16 GLN H H 16 8.284 8.284 8.249 0.035 18224 439 1 2 . 1 1 17 17 SER N N 17 116.112 116.112 117.373 -1.261 18224 440 1 2 . 1 1 17 17 SER HA H 17 4.440 4.440 4.413 0.027 18224 441 1 2 . 1 1 17 17 SER C C 17 174.568 174.568 174.530 0.038 18224 442 1 2 . 1 1 17 17 SER CA C 17 58.911 58.911 58.664 0.247 18224 443 1 2 . 1 1 17 17 SER CB C 17 63.897 63.897 63.730 0.167 18224 444 1 2 . 1 1 17 17 SER H H 17 8.211 8.211 7.973 0.238 18224 445 1 2 . 1 1 18 18 GLU N N 18 121.378 121.378 126.977 -5.599 18224 446 1 2 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.602 -0.223 18224 447 1 2 . 1 1 18 18 GLU C C 18 175.934 175.934 175.473 0.461 18224 448 1 2 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.599 -0.193 18224 449 1 2 . 1 1 18 18 GLU CB C 18 29.133 29.133 31.702 -2.569 18224 450 1 2 . 1 1 18 18 GLU H H 18 8.262 8.262 8.965 -0.703 18224 451 1 2 . 1 1 19 19 CYS N N 19 119.418 119.418 121.690 -2.272 18224 452 1 2 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.828 -0.384 18224 453 1 2 . 1 1 19 19 CYS C C 19 174.568 174.568 175.118 -0.550 18224 454 1 2 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.259 -0.420 18224 455 1 2 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.530 -1.557 18224 456 1 2 . 1 1 19 19 CYS H H 19 8.182 8.182 8.558 -0.376 18224 457 1 2 . 1 1 20 20 GLU N N 20 122.737 122.737 121.108 1.629 18224 458 1 2 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.305 0.002 18224 459 1 2 . 1 1 20 20 GLU C C 20 176.083 176.083 176.639 -0.556 18224 460 1 2 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.378 -0.838 18224 461 1 2 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.069 -1.203 18224 462 1 2 . 1 1 20 20 GLU H H 20 8.303 8.303 8.217 0.086 18224 463 1 2 . 1 1 21 21 TYR N N 21 119.549 119.549 117.846 1.703 18224 464 1 2 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.586 -0.112 18224 465 1 2 . 1 1 21 21 TYR C C 21 175.826 175.826 175.118 0.708 18224 466 1 2 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.174 -0.503 18224 467 1 2 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.868 -0.279 18224 468 1 2 . 1 1 21 21 TYR H H 21 7.888 7.888 8.055 -0.167 18224 469 1 2 . 1 1 22 22 THR N N 22 112.218 112.218 112.781 -0.563 18224 470 1 2 . 1 1 22 22 THR HA H 22 4.163 4.163 4.193 -0.030 18224 471 1 2 . 1 1 22 22 THR C C 22 174.737 174.737 175.069 -0.332 18224 472 1 2 . 1 1 22 22 THR CA C 22 62.778 62.778 63.150 -0.372 18224 473 1 2 . 1 1 22 22 THR CB C 22 69.531 69.531 69.231 0.300 18224 474 1 2 . 1 1 22 22 THR H H 22 7.683 7.683 7.763 -0.080 18224 475 1 2 . 1 1 23 23 ASP N N 23 121.090 121.090 120.939 0.151 18224 476 1 2 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.647 0.064 18224 477 1 2 . 1 1 23 23 ASP C C 23 176.279 176.279 177.506 -1.227 18224 478 1 2 . 1 1 23 23 ASP CA C 23 54.110 54.110 54.445 -0.335 18224 479 1 2 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.291 -0.952 18224 480 1 2 . 1 1 23 23 ASP H H 23 8.059 8.059 8.544 -0.485 18224 481 1 2 . 1 1 24 24 TRP N N 24 121.546 121.546 119.157 2.389 18224 482 1 2 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.407 0.079 18224 483 1 2 . 1 1 24 24 TRP C C 24 177.051 177.051 176.157 0.894 18224 484 1 2 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.853 0.975 18224 485 1 2 . 1 1 24 24 TRP CB C 24 29.068 29.068 29.033 0.035 18224 486 1 2 . 1 1 24 24 TRP H H 24 7.888 7.888 8.017 -0.129 18224 487 1 2 . 1 1 25 25 LYS N N 25 120.106 120.106 118.889 1.217 18224 488 1 2 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.099 -0.109 18224 489 1 2 . 1 1 25 25 LYS C C 25 176.764 176.764 174.551 2.213 18224 490 1 2 . 1 1 25 25 LYS CA C 25 57.722 57.722 55.705 2.017 18224 491 1 2 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.663 -0.362 18224 492 1 2 . 1 1 25 25 LYS H H 25 7.620 7.620 6.977 0.643 18224 493 1 2 . 1 1 26 26 SER N N 26 114.114 114.114 117.928 -3.814 18224 494 1 2 . 1 1 26 26 SER HA H 26 4.471 4.471 4.439 0.032 18224 495 1 2 . 1 1 26 26 SER C C 26 175.124 175.124 174.653 0.471 18224 496 1 2 . 1 1 26 26 SER CA C 26 58.757 58.757 58.537 0.220 18224 497 1 2 . 1 1 26 26 SER CB C 26 63.812 63.812 64.596 -0.783 18224 498 1 2 . 1 1 26 26 SER H H 26 7.796 7.796 8.706 -0.910 18224 499 1 2 . 1 1 27 27 SER N N 27 116.655 116.655 117.340 -0.685 18224 500 1 2 . 1 1 27 27 SER HA H 27 4.386 4.386 4.137 0.249 18224 501 1 2 . 1 1 27 27 SER C C 27 175.505 175.505 175.505 0.000 18224 502 1 2 . 1 1 27 27 SER CA C 27 59.611 59.611 58.877 0.734 18224 503 1 2 . 1 1 27 27 SER CB C 27 64.117 64.117 61.817 2.300 18224 504 1 2 . 1 1 27 27 SER H H 27 8.046 8.046 8.309 -0.263 18224 505 1 2 . 1 1 28 28 GLY N N 28 111.049 111.049 107.381 3.668 18224 506 1 2 . 1 1 28 28 GLY C C 28 174.495 174.495 173.966 0.529 18224 507 1 2 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.242 0.879 18224 508 1 2 . 1 1 28 28 GLY H H 28 8.304 8.304 8.059 0.245 18224 509 1 2 . 1 1 29 29 ALA N N 29 121.693 121.693 119.907 1.786 18224 510 1 2 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.958 0.391 18224 511 1 2 . 1 1 29 29 ALA C C 29 177.695 177.695 177.216 0.479 18224 512 1 2 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.795 0.316 18224 513 1 2 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.295 1.669 18224 514 1 2 . 1 1 29 29 ALA H H 29 7.941 7.941 7.785 0.156 18224 515 1 2 . 1 1 30 30 LEU N N 30 117.996 117.996 125.269 -7.273 18224 516 1 2 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.088 0.094 18224 517 1 2 . 1 1 30 30 LEU C C 30 177.484 177.484 178.793 -1.309 18224 518 1 2 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.522 0.448 18224 519 1 2 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.926 0.496 18224 520 1 2 . 1 1 30 30 LEU H H 30 7.968 7.968 8.509 -0.541 18224 521 1 2 . 1 1 31 31 ILE N N 31 117.106 117.106 117.340 -0.234 18224 522 1 2 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.311 -0.372 18224 523 1 2 . 1 1 31 31 ILE C C 31 174.998 174.998 175.597 -0.599 18224 524 1 2 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.264 1.658 18224 525 1 2 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.518 -0.410 18224 526 1 2 . 1 1 31 31 ILE H H 31 8.027 8.027 8.106 -0.079 18224 527 1 2 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.297 -0.013 18224 528 1 2 . 1 1 32 32 PRO C C 32 178.663 178.663 178.016 0.647 18224 529 1 2 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.876 0.117 18224 530 1 2 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.675 0.381 18224 531 1 2 . 1 1 33 33 ALA N N 33 119.031 119.031 120.058 -1.027 18224 532 1 2 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.153 0.013 18224 533 1 2 . 1 1 33 33 ALA C C 33 178.942 178.942 179.608 -0.666 18224 534 1 2 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.652 0.888 18224 535 1 2 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.388 0.097 18224 536 1 2 . 1 1 33 33 ALA H H 33 7.580 7.580 8.378 -0.798 18224 537 1 2 . 1 1 34 34 ILE N N 34 117.923 117.923 118.003 -0.080 18224 538 1 2 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.937 -0.238 18224 539 1 2 . 1 1 34 34 ILE C C 34 177.833 177.833 177.121 0.712 18224 540 1 2 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.879 2.233 18224 541 1 2 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.009 -0.658 18224 542 1 2 . 1 1 34 34 ILE H H 34 8.234 8.234 7.534 0.700 18224 543 1 2 . 1 1 35 35 TYR N N 35 118.746 118.746 118.733 0.013 18224 544 1 2 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.211 -0.096 18224 545 1 2 . 1 1 35 35 TYR C C 35 178.044 178.044 177.652 0.392 18224 546 1 2 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.609 0.149 18224 547 1 2 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.032 -1.017 18224 548 1 2 . 1 1 35 35 TYR H H 35 8.355 8.355 7.663 0.692 18224 549 1 2 . 1 1 36 36 MET N N 36 117.813 117.813 116.889 0.924 18224 550 1 2 . 1 1 36 36 MET HA H 36 4.281 4.281 4.450 -0.169 18224 551 1 2 . 1 1 36 36 MET C C 36 178.139 178.139 177.814 0.325 18224 552 1 2 . 1 1 36 36 MET CA C 36 58.482 58.482 58.309 0.173 18224 553 1 2 . 1 1 36 36 MET CB C 36 31.716 31.716 32.664 -0.948 18224 554 1 2 . 1 1 36 36 MET H H 36 8.107 8.107 8.503 -0.396 18224 555 1 2 . 1 1 37 37 LEU N N 37 120.311 120.311 119.128 1.183 18224 556 1 2 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.241 -0.166 18224 557 1 2 . 1 1 37 37 LEU C C 37 178.399 178.399 177.186 1.213 18224 558 1 2 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.817 1.653 18224 559 1 2 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.434 1.519 18224 560 1 2 . 1 1 37 37 LEU H H 37 8.229 8.229 7.798 0.431 18224 561 1 2 . 1 1 38 38 VAL N N 38 118.080 118.080 116.677 1.403 18224 562 1 2 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.149 -0.624 18224 563 1 2 . 1 1 38 38 VAL C C 38 178.139 178.139 175.849 2.290 18224 564 1 2 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.148 4.004 18224 565 1 2 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.381 -1.931 18224 566 1 2 . 1 1 38 38 VAL H H 38 8.363 8.363 7.413 0.950 18224 567 1 2 . 1 1 39 39 PHE N N 39 120.151 120.151 120.459 -0.308 18224 568 1 2 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.485 -0.262 18224 569 1 2 . 1 1 39 39 PHE C C 39 178.544 178.544 177.576 0.968 18224 570 1 2 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.743 -0.417 18224 571 1 2 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.632 -1.716 18224 572 1 2 . 1 1 39 39 PHE H H 39 8.306 8.306 7.427 0.879 18224 573 1 2 . 1 1 40 40 LEU N N 40 121.004 121.004 118.246 2.758 18224 574 1 2 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.456 -0.433 18224 575 1 2 . 1 1 40 40 LEU C C 40 179.704 179.704 178.018 1.686 18224 576 1 2 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.605 0.333 18224 577 1 2 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.298 0.994 18224 578 1 2 . 1 1 40 40 LEU H H 40 8.567 8.567 7.745 0.822 18224 579 1 2 . 1 1 41 41 LEU N N 41 119.593 119.593 118.865 0.728 18224 580 1 2 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.219 -0.158 18224 581 1 2 . 1 1 41 41 LEU C C 41 178.966 178.966 178.135 0.831 18224 582 1 2 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.969 1.727 18224 583 1 2 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.990 -0.198 18224 584 1 2 . 1 1 41 41 LEU H H 41 8.503 8.503 8.082 0.421 18224 585 1 2 . 1 1 42 42 GLY N N 42 105.838 105.838 105.664 0.174 18224 586 1 2 . 1 1 42 42 GLY C C 42 175.587 175.587 174.422 1.165 18224 587 1 2 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.692 0.878 18224 588 1 2 . 1 1 42 42 GLY H H 42 8.355 8.355 7.910 0.445 18224 589 1 2 . 1 1 43 43 THR N N 43 112.333 112.333 112.360 -0.027 18224 590 1 2 . 1 1 43 43 THR HA H 43 4.290 4.290 4.820 -0.530 18224 591 1 2 . 1 1 43 43 THR C C 43 175.765 175.765 174.207 1.558 18224 592 1 2 . 1 1 43 43 THR CA C 43 63.680 63.680 60.079 3.601 18224 593 1 2 . 1 1 43 43 THR CB C 43 69.626 69.626 69.818 -0.192 18224 594 1 2 . 1 1 43 43 THR H H 43 7.895 7.895 7.625 0.270 18224 595 1 2 . 1 1 44 44 THR N N 44 112.041 112.041 116.087 -4.046 18224 596 1 2 . 1 1 44 44 THR HA H 44 4.388 4.388 3.921 0.467 18224 597 1 2 . 1 1 44 44 THR C C 44 175.555 175.555 174.670 0.885 18224 598 1 2 . 1 1 44 44 THR CA C 44 62.732 62.732 65.516 -2.784 18224 599 1 2 . 1 1 44 44 THR CB C 44 70.240 70.240 67.941 2.299 18224 600 1 2 . 1 1 44 44 THR H H 44 7.684 7.684 8.516 -0.832 18224 601 1 2 . 1 1 45 45 GLY N N 45 109.756 109.756 110.638 -0.882 18224 602 1 2 . 1 1 45 45 GLY C C 45 174.948 174.948 173.046 1.902 18224 603 1 2 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.981 1.371 18224 604 1 2 . 1 1 45 45 GLY H H 45 8.058 8.058 8.522 -0.464 18224 605 1 2 . 1 1 46 46 ASN N N 46 117.561 117.561 117.772 -0.211 18224 606 1 2 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.780 0.065 18224 607 1 2 . 1 1 46 46 ASN C C 46 175.853 175.853 174.910 0.943 18224 608 1 2 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.102 0.990 18224 609 1 2 . 1 1 46 46 ASN CB C 46 39.513 39.513 40.870 -1.357 18224 610 1 2 . 1 1 46 46 ASN H H 46 8.202 8.202 7.559 0.643 18224 611 1 2 . 1 1 47 47 GLY N N 47 108.715 108.715 110.012 -1.297 18224 612 1 2 . 1 1 47 47 GLY C C 47 174.431 174.431 174.948 -0.517 18224 613 1 2 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.639 0.522 18224 614 1 2 . 1 1 47 47 GLY H H 47 8.600 8.600 8.682 -0.082 18224 615 1 2 . 1 1 48 48 LEU N N 48 120.089 120.089 120.422 -0.333 18224 616 1 2 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.586 -0.267 18224 617 1 2 . 1 1 48 48 LEU C C 48 179.243 179.243 178.016 1.227 18224 618 1 2 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.515 1.801 18224 619 1 2 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.189 -0.351 18224 620 1 2 . 1 1 48 48 LEU H H 48 8.003 8.003 7.765 0.238 18224 621 1 2 . 1 1 49 49 VAL N N 49 120.573 120.573 119.599 0.974 18224 622 1 2 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.931 -0.110 18224 623 1 2 . 1 1 49 49 VAL C C 49 177.520 177.520 177.814 -0.294 18224 624 1 2 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.257 -0.195 18224 625 1 2 . 1 1 49 49 VAL CB C 49 31.488 31.488 30.981 0.507 18224 626 1 2 . 1 1 49 49 VAL H H 49 7.910 7.910 8.177 -0.267 18224 627 1 2 . 1 1 50 50 LEU N N 50 119.718 119.718 117.165 2.553 18224 628 1 2 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.369 -0.342 18224 629 1 2 . 1 1 50 50 LEU C C 50 178.169 178.169 178.467 -0.298 18224 630 1 2 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.470 0.582 18224 631 1 2 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.958 0.783 18224 632 1 2 . 1 1 50 50 LEU H H 50 7.860 7.860 8.004 -0.144 18224 633 1 2 . 1 1 51 51 TRP N N 51 118.071 118.071 122.379 -4.308 18224 634 1 2 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.356 0.186 18224 635 1 2 . 1 1 51 51 TRP C C 51 177.296 177.296 177.196 0.100 18224 636 1 2 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.151 -0.233 18224 637 1 2 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.817 1.158 18224 638 1 2 . 1 1 51 51 TRP H H 51 8.109 8.109 8.121 -0.012 18224 639 1 2 . 1 1 52 52 THR N N 52 113.243 113.243 115.451 -2.208 18224 640 1 2 . 1 1 52 52 THR HA H 52 3.773 3.773 3.661 0.112 18224 641 1 2 . 1 1 52 52 THR C C 52 176.402 176.402 176.444 -0.042 18224 642 1 2 . 1 1 52 52 THR CA C 52 66.690 66.690 65.929 0.761 18224 643 1 2 . 1 1 52 52 THR CB C 52 68.921 68.921 69.028 -0.107 18224 644 1 2 . 1 1 52 52 THR H H 52 8.072 8.072 7.726 0.346 18224 645 1 2 . 1 1 53 53 VAL N N 53 120.307 120.307 121.120 -0.813 18224 646 1 2 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.691 -0.028 18224 647 1 2 . 1 1 53 53 VAL C C 53 177.362 177.362 177.495 -0.133 18224 648 1 2 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.721 0.571 18224 649 1 2 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.169 0.548 18224 650 1 2 . 1 1 53 53 VAL H H 53 8.006 8.006 7.462 0.544 18224 651 1 2 . 1 1 54 54 PHE N N 54 119.041 119.041 117.279 1.762 18224 652 1 2 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.459 -0.231 18224 653 1 2 . 1 1 54 54 PHE C C 54 177.476 177.476 175.081 2.395 18224 654 1 2 . 1 1 54 54 PHE CA C 54 60.892 60.892 57.802 3.090 18224 655 1 2 . 1 1 54 54 PHE CB C 54 38.596 38.596 37.879 0.717 18224 656 1 2 . 1 1 54 54 PHE H H 54 8.143 8.143 7.608 0.535 18224 657 1 2 . 1 1 55 55 ARG N N 55 117.543 117.543 118.342 -0.799 18224 658 1 2 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.367 -0.504 18224 659 1 2 . 1 1 55 55 ARG C C 55 177.832 177.832 177.625 0.207 18224 660 1 2 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.609 1.097 18224 661 1 2 . 1 1 55 55 ARG CB C 55 29.476 29.476 31.329 -1.853 18224 662 1 2 . 1 1 55 55 ARG H H 55 8.112 8.112 8.366 -0.254 18224 663 1 2 . 1 1 56 56 LYS N N 56 118.390 118.390 120.814 -2.424 18224 664 1 2 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.010 0.153 18224 665 1 2 . 1 1 56 56 LYS C C 56 177.400 177.400 178.918 -1.518 18224 666 1 2 . 1 1 56 56 LYS CA C 56 57.710 57.710 59.164 -1.454 18224 667 1 2 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.258 0.521 18224 668 1 2 . 1 1 56 56 LYS H H 56 7.789 7.789 7.659 0.130 18224 669 1 2 . 1 1 57 57 LYS N N 57 118.190 118.190 118.737 -0.547 18224 670 1 2 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.345 -0.086 18224 671 1 2 . 1 1 57 57 LYS C C 57 176.791 176.791 176.836 -0.045 18224 672 1 2 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.935 0.490 18224 673 1 2 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.624 2.199 18224 674 1 2 . 1 1 57 57 LYS H H 57 7.821 7.821 8.045 -0.224 18224 675 1 2 . 1 1 58 58 GLY N N 58 107.289 107.289 109.054 -1.765 18224 676 1 2 . 1 1 58 58 GLY C C 58 173.607 173.607 175.303 -1.696 18224 677 1 2 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.638 -1.164 18224 678 1 2 . 1 1 58 58 GLY H H 58 7.927 7.927 8.061 -0.134 18224 679 1 2 . 1 1 59 59 HIS N N 59 116.847 116.847 118.482 -1.635 18224 680 1 2 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.599 0.094 18224 681 1 2 . 1 1 59 59 HIS C C 59 174.153 174.153 176.159 -2.006 18224 682 1 2 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.173 -1.016 18224 683 1 2 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.252 -0.337 18224 684 1 2 . 1 1 59 59 HIS H H 59 8.120 8.120 7.848 0.272 18224 685 1 2 . 1 1 60 60 HIS N N 60 118.028 118.028 120.643 -2.615 18224 686 1 2 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.362 0.330 18224 687 1 2 . 1 1 60 60 HIS C C 60 173.987 173.987 174.898 -0.911 18224 688 1 2 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.443 -0.935 18224 689 1 2 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.525 -1.700 18224 690 1 2 . 1 1 60 60 HIS H H 60 8.328 8.328 8.265 0.063 18224 691 1 2 . 1 1 61 61 HIS N N 61 118.101 118.101 121.672 -3.571 18224 692 1 2 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.907 -0.217 18224 693 1 2 . 1 1 61 61 HIS C C 61 174.032 174.032 175.224 -1.192 18224 694 1 2 . 1 1 61 61 HIS CA C 61 55.718 55.718 54.030 1.688 18224 695 1 2 . 1 1 61 61 HIS CB C 61 28.895 28.895 31.445 -2.550 18224 696 1 2 . 1 1 61 61 HIS H H 61 8.351 8.351 7.870 0.481 18224 697 1 2 . 1 1 62 62 HIS N N 62 118.704 118.704 120.437 -1.733 18224 698 1 2 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.359 0.342 18224 699 1 2 . 1 1 62 62 HIS C C 62 173.803 173.803 175.592 -1.789 18224 700 1 2 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.196 -0.592 18224 701 1 2 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.656 -0.493 18224 702 1 2 . 1 1 62 62 HIS H H 62 8.381 8.381 8.782 -0.401 18224 703 1 2 . 1 1 63 63 HIS N N 63 118.853 118.853 122.884 -4.031 18224 704 1 2 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.535 0.146 18224 705 1 2 . 1 1 63 63 HIS C C 63 173.576 173.576 175.693 -2.117 18224 706 1 2 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.217 -1.519 18224 707 1 2 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.815 -1.682 18224 708 1 2 . 1 1 63 63 HIS H H 63 8.299 8.299 8.728 -0.429 18224 709 1 3 . 1 1 2 2 GLU N N 2 122.762 122.762 120.355 2.407 18224 710 1 3 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.112 0.326 18224 711 1 3 . 1 1 2 2 GLU C C 2 175.581 175.581 175.530 0.051 18224 712 1 3 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.674 -1.314 18224 713 1 3 . 1 1 2 2 GLU CB C 2 29.582 29.582 28.914 0.668 18224 714 1 3 . 1 1 2 2 GLU H H 2 8.628 8.628 8.838 -0.210 18224 715 1 3 . 1 1 3 3 GLU N N 3 121.071 121.071 118.569 2.502 18224 716 1 3 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.391 -0.010 18224 717 1 3 . 1 1 3 3 GLU C C 3 176.457 176.457 175.701 0.756 18224 718 1 3 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.274 0.074 18224 719 1 3 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.309 -1.111 18224 720 1 3 . 1 1 3 3 GLU H H 3 8.393 8.393 7.989 0.404 18224 721 1 3 . 1 1 4 4 GLY N N 4 109.717 109.717 112.502 -2.785 18224 722 1 3 . 1 1 4 4 GLY C C 4 174.677 174.677 174.133 0.544 18224 723 1 3 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.815 0.826 18224 724 1 3 . 1 1 4 4 GLY H H 4 8.377 8.377 8.514 -0.137 18224 725 1 3 . 1 1 5 5 GLY N N 5 108.373 108.373 111.193 -2.820 18224 726 1 3 . 1 1 5 5 GLY C C 5 174.047 174.047 173.865 0.182 18224 727 1 3 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.489 0.083 18224 728 1 3 . 1 1 5 5 GLY H H 5 8.115 8.115 8.151 -0.036 18224 729 1 3 . 1 1 6 6 ASP N N 6 118.996 118.996 124.322 -5.326 18224 730 1 3 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.564 0.085 18224 731 1 3 . 1 1 6 6 ASP C C 6 175.903 175.903 174.443 1.460 18224 732 1 3 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.224 0.821 18224 733 1 3 . 1 1 6 6 ASP CB C 6 39.344 39.344 43.216 -3.872 18224 734 1 3 . 1 1 6 6 ASP H H 6 8.166 8.166 7.635 0.531 18224 735 1 3 . 1 1 7 7 PHE N N 7 119.750 119.750 121.024 -1.274 18224 736 1 3 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.711 -0.161 18224 737 1 3 . 1 1 7 7 PHE C C 7 175.919 175.919 174.727 1.192 18224 738 1 3 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.065 0.867 18224 739 1 3 . 1 1 7 7 PHE CB C 7 39.180 39.180 41.132 -1.952 18224 740 1 3 . 1 1 7 7 PHE H H 7 8.151 8.151 8.348 -0.197 18224 741 1 3 . 1 1 8 8 ASP N N 8 118.526 118.526 123.246 -4.720 18224 742 1 3 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.761 -0.263 18224 743 1 3 . 1 1 8 8 ASP C C 8 175.787 175.787 175.021 0.766 18224 744 1 3 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.034 -0.399 18224 745 1 3 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.631 -2.428 18224 746 1 3 . 1 1 8 8 ASP H H 8 8.161 8.161 8.411 -0.250 18224 747 1 3 . 1 1 9 9 ASN N N 9 117.291 117.291 119.054 -1.763 18224 748 1 3 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.693 -0.122 18224 749 1 3 . 1 1 9 9 ASN C C 9 175.142 175.142 173.972 1.170 18224 750 1 3 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.281 0.653 18224 751 1 3 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.216 -0.424 18224 752 1 3 . 1 1 9 9 ASN H H 9 8.013 8.013 8.036 -0.023 18224 753 1 3 . 1 1 10 10 TYR N N 10 119.112 119.112 121.278 -2.166 18224 754 1 3 . 1 1 10 10 TYR HA H 10 4.446 4.446 3.933 0.513 18224 755 1 3 . 1 1 10 10 TYR C C 10 175.513 175.513 176.246 -0.733 18224 756 1 3 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.902 0.072 18224 757 1 3 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.334 0.549 18224 758 1 3 . 1 1 10 10 TYR H H 10 7.848 7.848 8.270 -0.422 18224 759 1 3 . 1 1 11 11 TYR N N 11 119.438 119.438 122.641 -3.203 18224 760 1 3 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.337 0.170 18224 761 1 3 . 1 1 11 11 TYR C C 11 175.939 175.939 176.718 -0.779 18224 762 1 3 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.742 -0.445 18224 763 1 3 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.152 -0.185 18224 764 1 3 . 1 1 11 11 TYR H H 11 7.849 7.849 7.618 0.231 18224 765 1 3 . 1 1 12 12 GLY N N 12 109.685 109.685 107.908 1.777 18224 766 1 3 . 1 1 12 12 GLY C C 12 174.099 174.099 173.848 0.251 18224 767 1 3 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.386 0.159 18224 768 1 3 . 1 1 12 12 GLY H H 12 7.792 7.792 8.454 -0.662 18224 769 1 3 . 1 1 13 13 ALA N N 13 123.072 123.072 124.061 -0.989 18224 770 1 3 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.197 0.078 18224 771 1 3 . 1 1 13 13 ALA C C 13 177.669 177.669 176.940 0.729 18224 772 1 3 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.310 0.660 18224 773 1 3 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.932 1.358 18224 774 1 3 . 1 1 13 13 ALA H H 13 7.880 7.880 8.126 -0.246 18224 775 1 3 . 1 1 14 14 ASP N N 14 117.540 117.540 119.904 -2.364 18224 776 1 3 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.611 0.038 18224 777 1 3 . 1 1 14 14 ASP C C 14 175.649 175.649 175.516 0.133 18224 778 1 3 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.292 -0.328 18224 779 1 3 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.518 0.165 18224 780 1 3 . 1 1 14 14 ASP H H 14 8.281 8.281 8.701 -0.420 18224 781 1 3 . 1 1 15 15 ASN N N 15 118.400 118.400 117.799 0.601 18224 782 1 3 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.900 -0.214 18224 783 1 3 . 1 1 15 15 ASN C C 15 175.351 175.351 175.418 -0.067 18224 784 1 3 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.474 0.134 18224 785 1 3 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.574 -1.632 18224 786 1 3 . 1 1 15 15 ASN H H 15 8.137 8.137 7.810 0.327 18224 787 1 3 . 1 1 16 16 GLN N N 16 120.072 120.072 118.638 1.434 18224 788 1 3 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.334 0.026 18224 789 1 3 . 1 1 16 16 GLN C C 16 176.206 176.206 174.967 1.239 18224 790 1 3 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.456 -0.054 18224 791 1 3 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.572 2.597 18224 792 1 3 . 1 1 16 16 GLN H H 16 8.284 8.284 8.678 -0.394 18224 793 1 3 . 1 1 17 17 SER N N 17 116.112 116.112 118.090 -1.978 18224 794 1 3 . 1 1 17 17 SER HA H 17 4.440 4.440 4.561 -0.121 18224 795 1 3 . 1 1 17 17 SER C C 17 174.568 174.568 172.671 1.897 18224 796 1 3 . 1 1 17 17 SER CA C 17 58.911 58.911 57.466 1.445 18224 797 1 3 . 1 1 17 17 SER CB C 17 63.897 63.897 64.622 -0.725 18224 798 1 3 . 1 1 17 17 SER H H 17 8.211 8.211 8.042 0.169 18224 799 1 3 . 1 1 18 18 GLU N N 18 121.378 121.378 121.190 0.188 18224 800 1 3 . 1 1 18 18 GLU HA H 18 4.379 4.379 3.960 0.419 18224 801 1 3 . 1 1 18 18 GLU C C 18 175.934 175.934 174.773 1.161 18224 802 1 3 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.913 -0.507 18224 803 1 3 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.502 -0.369 18224 804 1 3 . 1 1 18 18 GLU H H 18 8.262 8.262 8.482 -0.220 18224 805 1 3 . 1 1 19 19 CYS N N 19 119.418 119.418 120.778 -1.360 18224 806 1 3 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.743 -0.299 18224 807 1 3 . 1 1 19 19 CYS C C 19 174.568 174.568 173.839 0.729 18224 808 1 3 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.389 -0.550 18224 809 1 3 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.389 -0.416 18224 810 1 3 . 1 1 19 19 CYS H H 19 8.182 8.182 8.658 -0.476 18224 811 1 3 . 1 1 20 20 GLU N N 20 122.737 122.737 120.919 1.818 18224 812 1 3 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.318 -0.011 18224 813 1 3 . 1 1 20 20 GLU C C 20 176.083 176.083 176.898 -0.815 18224 814 1 3 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.717 -0.177 18224 815 1 3 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.189 -1.323 18224 816 1 3 . 1 1 20 20 GLU H H 20 8.303 8.303 8.141 0.162 18224 817 1 3 . 1 1 21 21 TYR N N 21 119.549 119.549 119.800 -0.251 18224 818 1 3 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.392 0.082 18224 819 1 3 . 1 1 21 21 TYR C C 21 175.826 175.826 175.420 0.406 18224 820 1 3 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.786 -0.115 18224 821 1 3 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.013 1.577 18224 822 1 3 . 1 1 21 21 TYR H H 21 7.888 7.888 8.450 -0.562 18224 823 1 3 . 1 1 22 22 THR N N 22 112.218 112.218 114.425 -2.207 18224 824 1 3 . 1 1 22 22 THR HA H 22 4.163 4.163 2.694 1.469 18224 825 1 3 . 1 1 22 22 THR C C 22 174.737 174.737 174.281 0.456 18224 826 1 3 . 1 1 22 22 THR CA C 22 62.778 62.778 63.637 -0.859 18224 827 1 3 . 1 1 22 22 THR CB C 22 69.531 69.531 68.475 1.056 18224 828 1 3 . 1 1 22 22 THR H H 22 7.683 7.683 7.410 0.273 18224 829 1 3 . 1 1 23 23 ASP N N 23 121.090 121.090 120.660 0.430 18224 830 1 3 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.652 0.059 18224 831 1 3 . 1 1 23 23 ASP C C 23 176.279 176.279 176.746 -0.467 18224 832 1 3 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.868 1.242 18224 833 1 3 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.664 -1.326 18224 834 1 3 . 1 1 23 23 ASP H H 23 8.059 8.059 7.773 0.286 18224 835 1 3 . 1 1 24 24 TRP N N 24 121.546 121.546 120.621 0.925 18224 836 1 3 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.327 0.159 18224 837 1 3 . 1 1 24 24 TRP C C 24 177.051 177.051 176.933 0.118 18224 838 1 3 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.016 0.812 18224 839 1 3 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.627 1.441 18224 840 1 3 . 1 1 24 24 TRP H H 24 7.888 7.888 6.688 1.200 18224 841 1 3 . 1 1 25 25 LYS N N 25 120.106 120.106 121.068 -0.962 18224 842 1 3 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.978 0.012 18224 843 1 3 . 1 1 25 25 LYS C C 25 176.764 176.764 178.267 -1.503 18224 844 1 3 . 1 1 25 25 LYS CA C 25 57.722 57.722 58.376 -0.654 18224 845 1 3 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.152 0.149 18224 846 1 3 . 1 1 25 25 LYS H H 25 7.620 7.620 8.406 -0.786 18224 847 1 3 . 1 1 26 26 SER N N 26 114.114 114.114 112.729 1.385 18224 848 1 3 . 1 1 26 26 SER HA H 26 4.471 4.471 4.298 0.173 18224 849 1 3 . 1 1 26 26 SER C C 26 175.124 175.124 173.984 1.140 18224 850 1 3 . 1 1 26 26 SER CA C 26 58.757 58.757 58.813 -0.056 18224 851 1 3 . 1 1 26 26 SER CB C 26 63.812 63.812 62.331 1.481 18224 852 1 3 . 1 1 26 26 SER H H 26 7.796 7.796 8.714 -0.918 18224 853 1 3 . 1 1 27 27 SER N N 27 116.655 116.655 108.966 7.689 18224 854 1 3 . 1 1 27 27 SER HA H 27 4.386 4.386 4.208 0.178 18224 855 1 3 . 1 1 27 27 SER C C 27 175.505 175.505 175.563 -0.058 18224 856 1 3 . 1 1 27 27 SER CA C 27 59.611 59.611 59.606 0.005 18224 857 1 3 . 1 1 27 27 SER CB C 27 64.117 64.117 61.932 2.185 18224 858 1 3 . 1 1 27 27 SER H H 27 8.046 8.046 8.583 -0.537 18224 859 1 3 . 1 1 28 28 GLY N N 28 111.049 111.049 109.605 1.444 18224 860 1 3 . 1 1 28 28 GLY C C 28 174.495 174.495 174.285 0.210 18224 861 1 3 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.425 0.696 18224 862 1 3 . 1 1 28 28 GLY H H 28 8.304 8.304 8.273 0.031 18224 863 1 3 . 1 1 29 29 ALA N N 29 121.693 121.693 122.741 -1.048 18224 864 1 3 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.584 -0.235 18224 865 1 3 . 1 1 29 29 ALA C C 29 177.695 177.695 176.906 0.789 18224 866 1 3 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.188 0.923 18224 867 1 3 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.767 1.196 18224 868 1 3 . 1 1 29 29 ALA H H 29 7.941 7.941 8.240 -0.299 18224 869 1 3 . 1 1 30 30 LEU N N 30 117.996 117.996 117.494 0.502 18224 870 1 3 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.433 -0.251 18224 871 1 3 . 1 1 30 30 LEU C C 30 177.484 177.484 178.450 -0.966 18224 872 1 3 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.722 2.248 18224 873 1 3 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.834 -0.412 18224 874 1 3 . 1 1 30 30 LEU H H 30 7.968 7.968 7.390 0.578 18224 875 1 3 . 1 1 31 31 ILE N N 31 117.106 117.106 121.578 -4.472 18224 876 1 3 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.064 -0.125 18224 877 1 3 . 1 1 31 31 ILE C C 31 174.998 174.998 174.883 0.115 18224 878 1 3 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.540 1.382 18224 879 1 3 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.494 -0.386 18224 880 1 3 . 1 1 31 31 ILE H H 31 8.027 8.027 7.985 0.042 18224 881 1 3 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.303 -0.019 18224 882 1 3 . 1 1 32 32 PRO C C 32 178.663 178.663 177.783 0.880 18224 883 1 3 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.242 0.751 18224 884 1 3 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.089 -0.033 18224 885 1 3 . 1 1 33 33 ALA N N 33 119.031 119.031 118.432 0.599 18224 886 1 3 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.216 -0.050 18224 887 1 3 . 1 1 33 33 ALA C C 33 178.942 178.942 178.796 0.146 18224 888 1 3 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.344 1.196 18224 889 1 3 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.772 -0.287 18224 890 1 3 . 1 1 33 33 ALA H H 33 7.580 7.580 7.597 -0.017 18224 891 1 3 . 1 1 34 34 ILE N N 34 117.923 117.923 117.062 0.861 18224 892 1 3 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.968 -0.269 18224 893 1 3 . 1 1 34 34 ILE C C 34 177.833 177.833 176.232 1.601 18224 894 1 3 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.864 2.248 18224 895 1 3 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.616 -0.265 18224 896 1 3 . 1 1 34 34 ILE H H 34 8.234 8.234 7.500 0.734 18224 897 1 3 . 1 1 35 35 TYR N N 35 118.746 118.746 120.129 -1.383 18224 898 1 3 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.438 -0.323 18224 899 1 3 . 1 1 35 35 TYR C C 35 178.044 178.044 176.252 1.792 18224 900 1 3 . 1 1 35 35 TYR CA C 35 61.758 61.758 60.910 0.848 18224 901 1 3 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.977 -0.962 18224 902 1 3 . 1 1 35 35 TYR H H 35 8.355 8.355 7.408 0.947 18224 903 1 3 . 1 1 36 36 MET N N 36 117.813 117.813 117.500 0.313 18224 904 1 3 . 1 1 36 36 MET HA H 36 4.281 4.281 4.339 -0.058 18224 905 1 3 . 1 1 36 36 MET C C 36 178.139 178.139 178.110 0.029 18224 906 1 3 . 1 1 36 36 MET CA C 36 58.482 58.482 58.072 0.410 18224 907 1 3 . 1 1 36 36 MET CB C 36 31.716 31.716 33.376 -1.659 18224 908 1 3 . 1 1 36 36 MET H H 36 8.107 8.107 7.706 0.401 18224 909 1 3 . 1 1 37 37 LEU N N 37 120.311 120.311 120.609 -0.298 18224 910 1 3 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.129 -0.054 18224 911 1 3 . 1 1 37 37 LEU C C 37 178.399 178.399 177.458 0.941 18224 912 1 3 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.736 0.734 18224 913 1 3 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.083 0.870 18224 914 1 3 . 1 1 37 37 LEU H H 37 8.229 8.229 7.748 0.481 18224 915 1 3 . 1 1 38 38 VAL N N 38 118.080 118.080 116.162 1.918 18224 916 1 3 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.127 -0.602 18224 917 1 3 . 1 1 38 38 VAL C C 38 178.139 178.139 176.799 1.340 18224 918 1 3 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.624 3.528 18224 919 1 3 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.458 -1.008 18224 920 1 3 . 1 1 38 38 VAL H H 38 8.363 8.363 7.437 0.926 18224 921 1 3 . 1 1 39 39 PHE N N 39 120.151 120.151 119.557 0.594 18224 922 1 3 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.387 -0.164 18224 923 1 3 . 1 1 39 39 PHE C C 39 178.544 178.544 177.640 0.904 18224 924 1 3 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.194 0.132 18224 925 1 3 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.219 -0.303 18224 926 1 3 . 1 1 39 39 PHE H H 39 8.306 8.306 8.227 0.079 18224 927 1 3 . 1 1 40 40 LEU N N 40 121.004 121.004 119.677 1.327 18224 928 1 3 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.116 -0.093 18224 929 1 3 . 1 1 40 40 LEU C C 40 179.704 179.704 179.334 0.370 18224 930 1 3 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.838 0.100 18224 931 1 3 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.093 1.199 18224 932 1 3 . 1 1 40 40 LEU H H 40 8.567 8.567 7.806 0.761 18224 933 1 3 . 1 1 41 41 LEU N N 41 119.593 119.593 117.558 2.035 18224 934 1 3 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.061 -0.000 18224 935 1 3 . 1 1 41 41 LEU C C 41 178.966 178.966 177.621 1.345 18224 936 1 3 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.717 0.979 18224 937 1 3 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.149 -0.357 18224 938 1 3 . 1 1 41 41 LEU H H 41 8.503 8.503 8.123 0.380 18224 939 1 3 . 1 1 42 42 GLY N N 42 105.838 105.838 103.045 2.793 18224 940 1 3 . 1 1 42 42 GLY C C 42 175.587 175.587 173.350 2.237 18224 941 1 3 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.265 1.305 18224 942 1 3 . 1 1 42 42 GLY H H 42 8.355 8.355 7.991 0.364 18224 943 1 3 . 1 1 43 43 THR N N 43 112.333 112.333 115.634 -3.301 18224 944 1 3 . 1 1 43 43 THR HA H 43 4.290 4.290 4.510 -0.220 18224 945 1 3 . 1 1 43 43 THR C C 43 175.765 175.765 175.312 0.453 18224 946 1 3 . 1 1 43 43 THR CA C 43 63.680 63.680 63.442 0.238 18224 947 1 3 . 1 1 43 43 THR CB C 43 69.626 69.626 69.644 -0.018 18224 948 1 3 . 1 1 43 43 THR H H 43 7.895 7.895 8.313 -0.418 18224 949 1 3 . 1 1 44 44 THR N N 44 112.041 112.041 117.081 -5.040 18224 950 1 3 . 1 1 44 44 THR HA H 44 4.388 4.388 4.457 -0.069 18224 951 1 3 . 1 1 44 44 THR C C 44 175.555 175.555 175.364 0.191 18224 952 1 3 . 1 1 44 44 THR CA C 44 62.732 62.732 62.601 0.131 18224 953 1 3 . 1 1 44 44 THR CB C 44 70.240 70.240 69.347 0.893 18224 954 1 3 . 1 1 44 44 THR H H 44 7.684 7.684 8.148 -0.464 18224 955 1 3 . 1 1 45 45 GLY N N 45 109.756 109.756 110.090 -0.334 18224 956 1 3 . 1 1 45 45 GLY C C 45 174.948 174.948 174.571 0.377 18224 957 1 3 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.238 1.114 18224 958 1 3 . 1 1 45 45 GLY H H 45 8.058 8.058 8.086 -0.028 18224 959 1 3 . 1 1 46 46 ASN N N 46 117.561 117.561 120.040 -2.479 18224 960 1 3 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.387 0.458 18224 961 1 3 . 1 1 46 46 ASN C C 46 175.853 175.853 176.446 -0.593 18224 962 1 3 . 1 1 46 46 ASN CA C 46 54.092 54.092 56.163 -2.071 18224 963 1 3 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.661 0.852 18224 964 1 3 . 1 1 46 46 ASN H H 46 8.202 8.202 8.614 -0.412 18224 965 1 3 . 1 1 47 47 GLY N N 47 108.715 108.715 106.791 1.924 18224 966 1 3 . 1 1 47 47 GLY C C 47 174.431 174.431 175.775 -1.344 18224 967 1 3 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.069 2.091 18224 968 1 3 . 1 1 47 47 GLY H H 47 8.600 8.600 8.513 0.087 18224 969 1 3 . 1 1 48 48 LEU N N 48 120.089 120.089 123.119 -3.030 18224 970 1 3 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.282 0.037 18224 971 1 3 . 1 1 48 48 LEU C C 48 179.243 179.243 178.283 0.960 18224 972 1 3 . 1 1 48 48 LEU CA C 48 57.316 57.316 57.570 -0.254 18224 973 1 3 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.063 -0.225 18224 974 1 3 . 1 1 48 48 LEU H H 48 8.003 8.003 7.836 0.167 18224 975 1 3 . 1 1 49 49 VAL N N 49 120.573 120.573 117.886 2.687 18224 976 1 3 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.786 0.035 18224 977 1 3 . 1 1 49 49 VAL C C 49 177.520 177.520 178.494 -0.974 18224 978 1 3 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.331 -0.269 18224 979 1 3 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.188 0.300 18224 980 1 3 . 1 1 49 49 VAL H H 49 7.910 7.910 8.193 -0.283 18224 981 1 3 . 1 1 50 50 LEU N N 50 119.718 119.718 119.526 0.192 18224 982 1 3 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.372 -0.345 18224 983 1 3 . 1 1 50 50 LEU C C 50 178.169 178.169 178.439 -0.270 18224 984 1 3 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.601 0.451 18224 985 1 3 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.914 -0.173 18224 986 1 3 . 1 1 50 50 LEU H H 50 7.860 7.860 7.216 0.644 18224 987 1 3 . 1 1 51 51 TRP N N 51 118.071 118.071 121.382 -3.311 18224 988 1 3 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.597 -0.055 18224 989 1 3 . 1 1 51 51 TRP C C 51 177.296 177.296 177.705 -0.409 18224 990 1 3 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.075 -0.157 18224 991 1 3 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.032 0.943 18224 992 1 3 . 1 1 51 51 TRP H H 51 8.109 8.109 8.355 -0.246 18224 993 1 3 . 1 1 52 52 THR N N 52 113.243 113.243 115.172 -1.929 18224 994 1 3 . 1 1 52 52 THR HA H 52 3.773 3.773 3.590 0.183 18224 995 1 3 . 1 1 52 52 THR C C 52 176.402 176.402 176.204 0.198 18224 996 1 3 . 1 1 52 52 THR CA C 52 66.690 66.690 65.069 1.621 18224 997 1 3 . 1 1 52 52 THR CB C 52 68.921 68.921 68.739 0.182 18224 998 1 3 . 1 1 52 52 THR H H 52 8.072 8.072 7.922 0.150 18224 999 1 3 . 1 1 53 53 VAL N N 53 120.307 120.307 121.637 -1.330 18224 1000 1 3 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.608 0.055 18224 1001 1 3 . 1 1 53 53 VAL C C 53 177.362 177.362 177.580 -0.218 18224 1002 1 3 . 1 1 53 53 VAL CA C 53 66.292 66.292 67.173 -0.881 18224 1003 1 3 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.505 0.212 18224 1004 1 3 . 1 1 53 53 VAL H H 53 8.006 8.006 7.448 0.558 18224 1005 1 3 . 1 1 54 54 PHE N N 54 119.041 119.041 118.189 0.852 18224 1006 1 3 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.142 0.086 18224 1007 1 3 . 1 1 54 54 PHE C C 54 177.476 177.476 175.839 1.637 18224 1008 1 3 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.235 0.657 18224 1009 1 3 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.691 -0.095 18224 1010 1 3 . 1 1 54 54 PHE H H 54 8.143 8.143 7.791 0.352 18224 1011 1 3 . 1 1 55 55 ARG N N 55 117.543 117.543 118.860 -1.317 18224 1012 1 3 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.115 0.748 18224 1013 1 3 . 1 1 55 55 ARG C C 55 177.832 177.832 178.209 -0.377 18224 1014 1 3 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.444 0.262 18224 1015 1 3 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.566 -0.090 18224 1016 1 3 . 1 1 55 55 ARG H H 55 8.112 8.112 6.794 1.318 18224 1017 1 3 . 1 1 56 56 LYS N N 56 118.390 118.390 118.138 0.252 18224 1018 1 3 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.912 0.251 18224 1019 1 3 . 1 1 56 56 LYS C C 56 177.400 177.400 179.122 -1.722 18224 1020 1 3 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.838 -1.128 18224 1021 1 3 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.824 0.955 18224 1022 1 3 . 1 1 56 56 LYS H H 56 7.789 7.789 8.139 -0.350 18224 1023 1 3 . 1 1 57 57 LYS N N 57 118.190 118.190 118.405 -0.215 18224 1024 1 3 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.336 -0.077 18224 1025 1 3 . 1 1 57 57 LYS C C 57 176.791 176.791 176.682 0.109 18224 1026 1 3 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.304 0.121 18224 1027 1 3 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.850 1.973 18224 1028 1 3 . 1 1 57 57 LYS H H 57 7.821 7.821 7.470 0.351 18224 1029 1 3 . 1 1 58 58 GLY N N 58 107.289 107.289 107.817 -0.528 18224 1030 1 3 . 1 1 58 58 GLY C C 58 173.607 173.607 174.642 -1.035 18224 1031 1 3 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.314 0.160 18224 1032 1 3 . 1 1 58 58 GLY H H 58 7.927 7.927 7.976 -0.049 18224 1033 1 3 . 1 1 59 59 HIS N N 59 116.847 116.847 119.159 -2.312 18224 1034 1 3 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.601 0.092 18224 1035 1 3 . 1 1 59 59 HIS C C 59 174.153 174.153 175.550 -1.397 18224 1036 1 3 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.761 -1.603 18224 1037 1 3 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.192 -1.277 18224 1038 1 3 . 1 1 59 59 HIS H H 59 8.120 8.120 8.045 0.075 18224 1039 1 3 . 1 1 60 60 HIS N N 60 118.028 118.028 119.894 -1.866 18224 1040 1 3 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.385 0.307 18224 1041 1 3 . 1 1 60 60 HIS C C 60 173.987 173.987 173.695 0.292 18224 1042 1 3 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.968 -0.460 18224 1043 1 3 . 1 1 60 60 HIS CB C 60 28.825 28.825 28.475 0.350 18224 1044 1 3 . 1 1 60 60 HIS H H 60 8.328 8.328 8.486 -0.158 18224 1045 1 3 . 1 1 61 61 HIS N N 61 118.101 118.101 122.283 -4.182 18224 1046 1 3 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.358 0.332 18224 1047 1 3 . 1 1 61 61 HIS C C 61 174.032 174.032 175.167 -1.135 18224 1048 1 3 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.873 -0.155 18224 1049 1 3 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.756 -1.861 18224 1050 1 3 . 1 1 61 61 HIS H H 61 8.351 8.351 8.439 -0.088 18224 1051 1 3 . 1 1 62 62 HIS N N 62 118.704 118.704 118.543 0.161 18224 1052 1 3 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.266 0.435 18224 1053 1 3 . 1 1 62 62 HIS C C 62 173.803 173.803 174.729 -0.926 18224 1054 1 3 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.185 -0.581 18224 1055 1 3 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.076 -0.913 18224 1056 1 3 . 1 1 62 62 HIS H H 62 8.381 8.381 8.266 0.115 18224 1057 1 3 . 1 1 63 63 HIS N N 63 118.853 118.853 118.044 0.809 18224 1058 1 3 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.386 0.295 18224 1059 1 3 . 1 1 63 63 HIS C C 63 173.576 173.576 174.694 -1.118 18224 1060 1 3 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.308 -1.610 18224 1061 1 3 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.063 -0.930 18224 1062 1 3 . 1 1 63 63 HIS H H 63 8.299 8.299 8.578 -0.279 18224 1063 1 4 . 1 1 2 2 GLU N N 2 122.762 122.762 120.449 2.313 18224 1064 1 4 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.516 -0.078 18224 1065 1 4 . 1 1 2 2 GLU C C 2 175.581 175.581 175.021 0.560 18224 1066 1 4 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.562 -0.202 18224 1067 1 4 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.037 -0.455 18224 1068 1 4 . 1 1 2 2 GLU H H 2 8.628 8.628 8.424 0.204 18224 1069 1 4 . 1 1 3 3 GLU N N 3 121.071 121.071 123.456 -2.385 18224 1070 1 4 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.511 -0.130 18224 1071 1 4 . 1 1 3 3 GLU C C 3 176.457 176.457 176.292 0.165 18224 1072 1 4 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.818 -0.470 18224 1073 1 4 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.467 -0.268 18224 1074 1 4 . 1 1 3 3 GLU H H 3 8.393 8.393 8.701 -0.308 18224 1075 1 4 . 1 1 4 4 GLY N N 4 109.717 109.717 109.655 0.062 18224 1076 1 4 . 1 1 4 4 GLY C C 4 174.677 174.677 174.697 -0.020 18224 1077 1 4 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.473 1.168 18224 1078 1 4 . 1 1 4 4 GLY H H 4 8.377 8.377 8.539 -0.162 18224 1079 1 4 . 1 1 5 5 GLY N N 5 108.373 108.373 107.494 0.879 18224 1080 1 4 . 1 1 5 5 GLY C C 5 174.047 174.047 174.050 -0.003 18224 1081 1 4 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.269 1.303 18224 1082 1 4 . 1 1 5 5 GLY H H 5 8.115 8.115 7.801 0.314 18224 1083 1 4 . 1 1 6 6 ASP N N 6 118.996 118.996 118.644 0.352 18224 1084 1 4 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.108 0.541 18224 1085 1 4 . 1 1 6 6 ASP C C 6 175.903 175.903 174.516 1.387 18224 1086 1 4 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.041 0.004 18224 1087 1 4 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.696 -1.352 18224 1088 1 4 . 1 1 6 6 ASP H H 6 8.166 8.166 7.968 0.198 18224 1089 1 4 . 1 1 7 7 PHE N N 7 119.750 119.750 121.935 -2.185 18224 1090 1 4 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.438 0.112 18224 1091 1 4 . 1 1 7 7 PHE C C 7 175.919 175.919 175.713 0.206 18224 1092 1 4 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.448 1.484 18224 1093 1 4 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.329 -0.149 18224 1094 1 4 . 1 1 7 7 PHE H H 7 8.151 8.151 7.487 0.664 18224 1095 1 4 . 1 1 8 8 ASP N N 8 118.526 118.526 119.532 -1.006 18224 1096 1 4 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.268 0.230 18224 1097 1 4 . 1 1 8 8 ASP C C 8 175.787 175.787 174.578 1.209 18224 1098 1 4 . 1 1 8 8 ASP CA C 8 54.635 54.635 53.956 0.679 18224 1099 1 4 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.786 -1.583 18224 1100 1 4 . 1 1 8 8 ASP H H 8 8.161 8.161 8.376 -0.215 18224 1101 1 4 . 1 1 9 9 ASN N N 9 117.291 117.291 119.263 -1.972 18224 1102 1 4 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.598 -0.027 18224 1103 1 4 . 1 1 9 9 ASN C C 9 175.142 175.142 173.841 1.301 18224 1104 1 4 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.996 0.938 18224 1105 1 4 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.552 0.240 18224 1106 1 4 . 1 1 9 9 ASN H H 9 8.013 8.013 7.776 0.237 18224 1107 1 4 . 1 1 10 10 TYR N N 10 119.112 119.112 120.642 -1.530 18224 1108 1 4 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.266 0.180 18224 1109 1 4 . 1 1 10 10 TYR C C 10 175.513 175.513 176.415 -0.902 18224 1110 1 4 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.491 0.483 18224 1111 1 4 . 1 1 10 10 TYR CB C 10 38.883 38.883 36.348 2.535 18224 1112 1 4 . 1 1 10 10 TYR H H 10 7.848 7.848 7.346 0.502 18224 1113 1 4 . 1 1 11 11 TYR N N 11 119.438 119.438 124.618 -5.180 18224 1114 1 4 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.242 0.265 18224 1115 1 4 . 1 1 11 11 TYR C C 11 175.939 175.939 177.532 -1.593 18224 1116 1 4 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.450 -1.153 18224 1117 1 4 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.330 -0.363 18224 1118 1 4 . 1 1 11 11 TYR H H 11 7.849 7.849 8.232 -0.383 18224 1119 1 4 . 1 1 12 12 GLY N N 12 109.685 109.685 106.824 2.861 18224 1120 1 4 . 1 1 12 12 GLY C C 12 174.099 174.099 172.635 1.464 18224 1121 1 4 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.475 0.070 18224 1122 1 4 . 1 1 12 12 GLY H H 12 7.792 7.792 8.900 -1.108 18224 1123 1 4 . 1 1 13 13 ALA N N 13 123.072 123.072 124.701 -1.629 18224 1124 1 4 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.457 -0.182 18224 1125 1 4 . 1 1 13 13 ALA C C 13 177.669 177.669 175.870 1.799 18224 1126 1 4 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.272 0.698 18224 1127 1 4 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.820 -0.530 18224 1128 1 4 . 1 1 13 13 ALA H H 13 7.880 7.880 8.213 -0.333 18224 1129 1 4 . 1 1 14 14 ASP N N 14 117.540 117.540 120.841 -3.301 18224 1130 1 4 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.718 -0.069 18224 1131 1 4 . 1 1 14 14 ASP C C 14 175.649 175.649 175.253 0.396 18224 1132 1 4 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.282 -0.318 18224 1133 1 4 . 1 1 14 14 ASP CB C 14 39.683 39.683 38.993 0.690 18224 1134 1 4 . 1 1 14 14 ASP H H 14 8.281 8.281 8.716 -0.435 18224 1135 1 4 . 1 1 15 15 ASN N N 15 118.400 118.400 118.026 0.374 18224 1136 1 4 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.791 -0.105 18224 1137 1 4 . 1 1 15 15 ASN C C 15 175.351 175.351 174.679 0.672 18224 1138 1 4 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.651 -0.043 18224 1139 1 4 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.126 -1.184 18224 1140 1 4 . 1 1 15 15 ASN H H 15 8.137 8.137 8.026 0.111 18224 1141 1 4 . 1 1 16 16 GLN N N 16 120.072 120.072 119.346 0.726 18224 1142 1 4 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.477 -0.117 18224 1143 1 4 . 1 1 16 16 GLN C C 16 176.206 176.206 174.550 1.656 18224 1144 1 4 . 1 1 16 16 GLN CA C 16 56.402 56.402 54.996 1.406 18224 1145 1 4 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.948 2.221 18224 1146 1 4 . 1 1 16 16 GLN H H 16 8.284 8.284 8.300 -0.016 18224 1147 1 4 . 1 1 17 17 SER N N 17 116.112 116.112 117.891 -1.779 18224 1148 1 4 . 1 1 17 17 SER HA H 17 4.440 4.440 4.516 -0.076 18224 1149 1 4 . 1 1 17 17 SER C C 17 174.568 174.568 173.988 0.580 18224 1150 1 4 . 1 1 17 17 SER CA C 17 58.911 58.911 58.932 -0.021 18224 1151 1 4 . 1 1 17 17 SER CB C 17 63.897 63.897 63.727 0.170 18224 1152 1 4 . 1 1 17 17 SER H H 17 8.211 8.211 8.019 0.192 18224 1153 1 4 . 1 1 18 18 GLU N N 18 121.378 121.378 126.727 -5.349 18224 1154 1 4 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.660 -0.281 18224 1155 1 4 . 1 1 18 18 GLU C C 18 175.934 175.934 175.101 0.833 18224 1156 1 4 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.757 0.649 18224 1157 1 4 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.673 -1.540 18224 1158 1 4 . 1 1 18 18 GLU H H 18 8.262 8.262 8.497 -0.235 18224 1159 1 4 . 1 1 19 19 CYS N N 19 119.418 119.418 117.330 2.088 18224 1160 1 4 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.571 -0.127 18224 1161 1 4 . 1 1 19 19 CYS C C 19 174.568 174.568 173.442 1.126 18224 1162 1 4 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.596 0.243 18224 1163 1 4 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.388 -2.415 18224 1164 1 4 . 1 1 19 19 CYS H H 19 8.182 8.182 7.998 0.183 18224 1165 1 4 . 1 1 20 20 GLU N N 20 122.737 122.737 118.428 4.309 18224 1166 1 4 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.972 0.335 18224 1167 1 4 . 1 1 20 20 GLU C C 20 176.083 176.083 175.177 0.906 18224 1168 1 4 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.541 -1.001 18224 1169 1 4 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.529 -0.663 18224 1170 1 4 . 1 1 20 20 GLU H H 20 8.303 8.303 8.642 -0.339 18224 1171 1 4 . 1 1 21 21 TYR N N 21 119.549 119.549 113.177 6.372 18224 1172 1 4 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.418 0.056 18224 1173 1 4 . 1 1 21 21 TYR C C 21 175.826 175.826 173.797 2.029 18224 1174 1 4 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.529 0.142 18224 1175 1 4 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.267 0.322 18224 1176 1 4 . 1 1 21 21 TYR H H 21 7.888 7.888 7.947 -0.059 18224 1177 1 4 . 1 1 22 22 THR N N 22 112.218 112.218 112.627 -0.409 18224 1178 1 4 . 1 1 22 22 THR HA H 22 4.163 4.163 2.680 1.483 18224 1179 1 4 . 1 1 22 22 THR C C 22 174.737 174.737 173.650 1.087 18224 1180 1 4 . 1 1 22 22 THR CA C 22 62.778 62.778 62.681 0.097 18224 1181 1 4 . 1 1 22 22 THR CB C 22 69.531 69.531 68.709 0.822 18224 1182 1 4 . 1 1 22 22 THR H H 22 7.683 7.683 7.361 0.322 18224 1183 1 4 . 1 1 23 23 ASP N N 23 121.090 121.090 119.614 1.476 18224 1184 1 4 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.521 0.190 18224 1185 1 4 . 1 1 23 23 ASP C C 23 176.279 176.279 176.757 -0.478 18224 1186 1 4 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.219 0.891 18224 1187 1 4 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.246 0.092 18224 1188 1 4 . 1 1 23 23 ASP H H 23 8.059 8.059 7.806 0.254 18224 1189 1 4 . 1 1 24 24 TRP N N 24 121.546 121.546 120.332 1.214 18224 1190 1 4 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.341 0.145 18224 1191 1 4 . 1 1 24 24 TRP C C 24 177.051 177.051 177.284 -0.233 18224 1192 1 4 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.812 1.016 18224 1193 1 4 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.826 1.242 18224 1194 1 4 . 1 1 24 24 TRP H H 24 7.888 7.888 6.806 1.082 18224 1195 1 4 . 1 1 25 25 LYS N N 25 120.106 120.106 120.910 -0.804 18224 1196 1 4 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.089 -0.099 18224 1197 1 4 . 1 1 25 25 LYS C C 25 176.764 176.764 178.135 -1.371 18224 1198 1 4 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.875 -0.153 18224 1199 1 4 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.330 -0.029 18224 1200 1 4 . 1 1 25 25 LYS H H 25 7.620 7.620 8.399 -0.779 18224 1201 1 4 . 1 1 26 26 SER N N 26 114.114 114.114 110.076 4.038 18224 1202 1 4 . 1 1 26 26 SER HA H 26 4.471 4.471 4.291 0.180 18224 1203 1 4 . 1 1 26 26 SER C C 26 175.124 175.124 173.927 1.197 18224 1204 1 4 . 1 1 26 26 SER CA C 26 58.757 58.757 59.348 -0.591 18224 1205 1 4 . 1 1 26 26 SER CB C 26 63.812 63.812 63.026 0.786 18224 1206 1 4 . 1 1 26 26 SER H H 26 7.796 7.796 8.857 -1.061 18224 1207 1 4 . 1 1 27 27 SER N N 27 116.655 116.655 112.784 3.871 18224 1208 1 4 . 1 1 27 27 SER HA H 27 4.386 4.386 4.479 -0.093 18224 1209 1 4 . 1 1 27 27 SER C C 27 175.505 175.505 175.046 0.459 18224 1210 1 4 . 1 1 27 27 SER CA C 27 59.611 59.611 58.785 0.826 18224 1211 1 4 . 1 1 27 27 SER CB C 27 64.117 64.117 63.738 0.379 18224 1212 1 4 . 1 1 27 27 SER H H 27 8.046 8.046 7.904 0.142 18224 1213 1 4 . 1 1 28 28 GLY N N 28 111.049 111.049 110.136 0.913 18224 1214 1 4 . 1 1 28 28 GLY C C 28 174.495 174.495 174.334 0.161 18224 1215 1 4 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.154 0.967 18224 1216 1 4 . 1 1 28 28 GLY H H 28 8.304 8.304 8.306 -0.002 18224 1217 1 4 . 1 1 29 29 ALA N N 29 121.693 121.693 121.891 -0.198 18224 1218 1 4 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.520 -0.171 18224 1219 1 4 . 1 1 29 29 ALA C C 29 177.695 177.695 177.011 0.684 18224 1220 1 4 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.409 0.702 18224 1221 1 4 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.759 1.205 18224 1222 1 4 . 1 1 29 29 ALA H H 29 7.941 7.941 7.787 0.154 18224 1223 1 4 . 1 1 30 30 LEU N N 30 117.996 117.996 117.236 0.760 18224 1224 1 4 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.477 -0.295 18224 1225 1 4 . 1 1 30 30 LEU C C 30 177.484 177.484 178.390 -0.906 18224 1226 1 4 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.772 2.198 18224 1227 1 4 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.014 -0.592 18224 1228 1 4 . 1 1 30 30 LEU H H 30 7.968 7.968 7.524 0.444 18224 1229 1 4 . 1 1 31 31 ILE N N 31 117.106 117.106 120.777 -3.671 18224 1230 1 4 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.169 -0.230 18224 1231 1 4 . 1 1 31 31 ILE C C 31 174.998 174.998 174.812 0.186 18224 1232 1 4 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.633 1.289 18224 1233 1 4 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.435 -0.327 18224 1234 1 4 . 1 1 31 31 ILE H H 31 8.027 8.027 7.619 0.408 18224 1235 1 4 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.223 0.061 18224 1236 1 4 . 1 1 32 32 PRO C C 32 178.663 178.663 177.806 0.857 18224 1237 1 4 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.782 0.211 18224 1238 1 4 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.691 0.365 18224 1239 1 4 . 1 1 33 33 ALA N N 33 119.031 119.031 118.373 0.658 18224 1240 1 4 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.153 0.013 18224 1241 1 4 . 1 1 33 33 ALA C C 33 178.942 178.942 178.637 0.305 18224 1242 1 4 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.163 1.377 18224 1243 1 4 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.608 -0.123 18224 1244 1 4 . 1 1 33 33 ALA H H 33 7.580 7.580 8.249 -0.669 18224 1245 1 4 . 1 1 34 34 ILE N N 34 117.923 117.923 118.102 -0.179 18224 1246 1 4 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.970 -0.271 18224 1247 1 4 . 1 1 34 34 ILE C C 34 177.833 177.833 176.842 0.991 18224 1248 1 4 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.165 2.947 18224 1249 1 4 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.875 -0.524 18224 1250 1 4 . 1 1 34 34 ILE H H 34 8.234 8.234 7.553 0.681 18224 1251 1 4 . 1 1 35 35 TYR N N 35 118.746 118.746 118.638 0.108 18224 1252 1 4 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.227 -0.112 18224 1253 1 4 . 1 1 35 35 TYR C C 35 178.044 178.044 177.843 0.201 18224 1254 1 4 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.828 -0.070 18224 1255 1 4 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.840 -0.825 18224 1256 1 4 . 1 1 35 35 TYR H H 35 8.355 8.355 7.838 0.517 18224 1257 1 4 . 1 1 36 36 MET N N 36 117.813 117.813 117.900 -0.087 18224 1258 1 4 . 1 1 36 36 MET HA H 36 4.281 4.281 4.243 0.038 18224 1259 1 4 . 1 1 36 36 MET C C 36 178.139 178.139 177.648 0.491 18224 1260 1 4 . 1 1 36 36 MET CA C 36 58.482 58.482 58.973 -0.491 18224 1261 1 4 . 1 1 36 36 MET CB C 36 31.716 31.716 32.962 -1.246 18224 1262 1 4 . 1 1 36 36 MET H H 36 8.107 8.107 7.786 0.321 18224 1263 1 4 . 1 1 37 37 LEU N N 37 120.311 120.311 119.484 0.827 18224 1264 1 4 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.149 -0.074 18224 1265 1 4 . 1 1 37 37 LEU C C 37 178.399 178.399 177.350 1.049 18224 1266 1 4 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.593 0.877 18224 1267 1 4 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.145 0.808 18224 1268 1 4 . 1 1 37 37 LEU H H 37 8.229 8.229 7.850 0.379 18224 1269 1 4 . 1 1 38 38 VAL N N 38 118.080 118.080 115.387 2.693 18224 1270 1 4 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.140 -0.615 18224 1271 1 4 . 1 1 38 38 VAL C C 38 178.139 178.139 175.179 2.960 18224 1272 1 4 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.530 4.622 18224 1273 1 4 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.814 -1.364 18224 1274 1 4 . 1 1 38 38 VAL H H 38 8.363 8.363 7.293 1.070 18224 1275 1 4 . 1 1 39 39 PHE N N 39 120.151 120.151 120.935 -0.784 18224 1276 1 4 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.761 -0.538 18224 1277 1 4 . 1 1 39 39 PHE C C 39 178.544 178.544 176.032 2.512 18224 1278 1 4 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.022 1.304 18224 1279 1 4 . 1 1 39 39 PHE CB C 39 38.916 38.916 43.041 -4.125 18224 1280 1 4 . 1 1 39 39 PHE H H 39 8.306 8.306 8.399 -0.093 18224 1281 1 4 . 1 1 40 40 LEU N N 40 121.004 121.004 119.572 1.432 18224 1282 1 4 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.387 -0.364 18224 1283 1 4 . 1 1 40 40 LEU C C 40 179.704 179.704 177.848 1.856 18224 1284 1 4 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.921 0.017 18224 1285 1 4 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.590 0.702 18224 1286 1 4 . 1 1 40 40 LEU H H 40 8.567 8.567 8.202 0.365 18224 1287 1 4 . 1 1 41 41 LEU N N 41 119.593 119.593 117.377 2.216 18224 1288 1 4 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.399 -0.338 18224 1289 1 4 . 1 1 41 41 LEU C C 41 178.966 178.966 178.192 0.774 18224 1290 1 4 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.799 0.897 18224 1291 1 4 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.275 0.517 18224 1292 1 4 . 1 1 41 41 LEU H H 41 8.503 8.503 7.690 0.813 18224 1293 1 4 . 1 1 42 42 GLY N N 42 105.838 105.838 104.376 1.462 18224 1294 1 4 . 1 1 42 42 GLY C C 42 175.587 175.587 174.180 1.407 18224 1295 1 4 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.812 0.758 18224 1296 1 4 . 1 1 42 42 GLY H H 42 8.355 8.355 8.114 0.241 18224 1297 1 4 . 1 1 43 43 THR N N 43 112.333 112.333 110.804 1.529 18224 1298 1 4 . 1 1 43 43 THR HA H 43 4.290 4.290 4.593 -0.303 18224 1299 1 4 . 1 1 43 43 THR C C 43 175.765 175.765 173.784 1.981 18224 1300 1 4 . 1 1 43 43 THR CA C 43 63.680 63.680 61.214 2.466 18224 1301 1 4 . 1 1 43 43 THR CB C 43 69.626 69.626 68.591 1.035 18224 1302 1 4 . 1 1 43 43 THR H H 43 7.895 7.895 7.308 0.587 18224 1303 1 4 . 1 1 44 44 THR N N 44 112.041 112.041 116.233 -4.192 18224 1304 1 4 . 1 1 44 44 THR HA H 44 4.388 4.388 3.893 0.495 18224 1305 1 4 . 1 1 44 44 THR C C 44 175.555 175.555 174.777 0.778 18224 1306 1 4 . 1 1 44 44 THR CA C 44 62.732 62.732 65.480 -2.748 18224 1307 1 4 . 1 1 44 44 THR CB C 44 70.240 70.240 67.804 2.436 18224 1308 1 4 . 1 1 44 44 THR H H 44 7.684 7.684 8.355 -0.671 18224 1309 1 4 . 1 1 45 45 GLY N N 45 109.756 109.756 109.371 0.385 18224 1310 1 4 . 1 1 45 45 GLY C C 45 174.948 174.948 173.292 1.656 18224 1311 1 4 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.709 1.643 18224 1312 1 4 . 1 1 45 45 GLY H H 45 8.058 8.058 8.461 -0.403 18224 1313 1 4 . 1 1 46 46 ASN N N 46 117.561 117.561 119.374 -1.813 18224 1314 1 4 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.851 -0.006 18224 1315 1 4 . 1 1 46 46 ASN C C 46 175.853 175.853 174.734 1.119 18224 1316 1 4 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.943 1.149 18224 1317 1 4 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.183 0.330 18224 1318 1 4 . 1 1 46 46 ASN H H 46 8.202 8.202 7.607 0.595 18224 1319 1 4 . 1 1 47 47 GLY N N 47 108.715 108.715 108.748 -0.033 18224 1320 1 4 . 1 1 47 47 GLY C C 47 174.431 174.431 173.639 0.792 18224 1321 1 4 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.919 1.242 18224 1322 1 4 . 1 1 47 47 GLY H H 47 8.600 8.600 8.664 -0.064 18224 1323 1 4 . 1 1 48 48 LEU N N 48 120.089 120.089 119.910 0.179 18224 1324 1 4 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.758 -0.439 18224 1325 1 4 . 1 1 48 48 LEU C C 48 179.243 179.243 177.216 2.027 18224 1326 1 4 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.237 2.079 18224 1327 1 4 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.926 -1.088 18224 1328 1 4 . 1 1 48 48 LEU H H 48 8.003 8.003 7.853 0.150 18224 1329 1 4 . 1 1 49 49 VAL N N 49 120.573 120.573 120.184 0.389 18224 1330 1 4 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.964 -0.143 18224 1331 1 4 . 1 1 49 49 VAL C C 49 177.520 177.520 177.124 0.396 18224 1332 1 4 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.963 1.099 18224 1333 1 4 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.333 0.155 18224 1334 1 4 . 1 1 49 49 VAL H H 49 7.910 7.910 8.075 -0.165 18224 1335 1 4 . 1 1 50 50 LEU N N 50 119.718 119.718 115.242 4.476 18224 1336 1 4 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.688 -0.661 18224 1337 1 4 . 1 1 50 50 LEU C C 50 178.169 178.169 177.459 0.710 18224 1338 1 4 . 1 1 50 50 LEU CA C 50 58.052 58.052 55.175 2.877 18224 1339 1 4 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.150 1.591 18224 1340 1 4 . 1 1 50 50 LEU H H 50 7.860 7.860 7.967 -0.107 18224 1341 1 4 . 1 1 51 51 TRP N N 51 118.071 118.071 123.054 -4.983 18224 1342 1 4 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.846 -0.304 18224 1343 1 4 . 1 1 51 51 TRP C C 51 177.296 177.296 177.009 0.287 18224 1344 1 4 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.864 0.055 18224 1345 1 4 . 1 1 51 51 TRP CB C 51 29.975 29.975 30.651 -0.676 18224 1346 1 4 . 1 1 51 51 TRP H H 51 8.109 8.109 7.628 0.481 18224 1347 1 4 . 1 1 52 52 THR N N 52 113.243 113.243 117.047 -3.804 18224 1348 1 4 . 1 1 52 52 THR HA H 52 3.773 3.773 3.924 -0.151 18224 1349 1 4 . 1 1 52 52 THR C C 52 176.402 176.402 176.342 0.060 18224 1350 1 4 . 1 1 52 52 THR CA C 52 66.690 66.690 67.376 -0.686 18224 1351 1 4 . 1 1 52 52 THR CB C 52 68.921 68.921 68.804 0.117 18224 1352 1 4 . 1 1 52 52 THR H H 52 8.072 8.072 7.711 0.361 18224 1353 1 4 . 1 1 53 53 VAL N N 53 120.307 120.307 120.681 -0.374 18224 1354 1 4 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.645 0.018 18224 1355 1 4 . 1 1 53 53 VAL C C 53 177.362 177.362 177.112 0.250 18224 1356 1 4 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.182 0.110 18224 1357 1 4 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.689 0.028 18224 1358 1 4 . 1 1 53 53 VAL H H 53 8.006 8.006 7.758 0.248 18224 1359 1 4 . 1 1 54 54 PHE N N 54 119.041 119.041 118.620 0.421 18224 1360 1 4 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.180 0.048 18224 1361 1 4 . 1 1 54 54 PHE C C 54 177.476 177.476 175.968 1.508 18224 1362 1 4 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.821 1.071 18224 1363 1 4 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.050 -0.454 18224 1364 1 4 . 1 1 54 54 PHE H H 54 8.143 8.143 7.370 0.773 18224 1365 1 4 . 1 1 55 55 ARG N N 55 117.543 117.543 118.958 -1.415 18224 1366 1 4 . 1 1 55 55 ARG HA H 55 3.863 3.863 2.983 0.880 18224 1367 1 4 . 1 1 55 55 ARG C C 55 177.832 177.832 178.132 -0.300 18224 1368 1 4 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.475 0.231 18224 1369 1 4 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.541 -0.065 18224 1370 1 4 . 1 1 55 55 ARG H H 55 8.112 8.112 6.940 1.172 18224 1371 1 4 . 1 1 56 56 LYS N N 56 118.390 118.390 118.253 0.137 18224 1372 1 4 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.894 0.269 18224 1373 1 4 . 1 1 56 56 LYS C C 56 177.400 177.400 179.071 -1.671 18224 1374 1 4 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.797 -1.087 18224 1375 1 4 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.230 0.549 18224 1376 1 4 . 1 1 56 56 LYS H H 56 7.789 7.789 7.537 0.252 18224 1377 1 4 . 1 1 57 57 LYS N N 57 118.190 118.190 120.011 -1.821 18224 1378 1 4 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.195 0.064 18224 1379 1 4 . 1 1 57 57 LYS C C 57 176.791 176.791 176.000 0.791 18224 1380 1 4 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.220 0.205 18224 1381 1 4 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.864 1.959 18224 1382 1 4 . 1 1 57 57 LYS H H 57 7.821 7.821 7.436 0.385 18224 1383 1 4 . 1 1 58 58 GLY N N 58 107.289 107.289 109.112 -1.823 18224 1384 1 4 . 1 1 58 58 GLY C C 58 173.607 173.607 174.274 -0.667 18224 1385 1 4 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.824 0.650 18224 1386 1 4 . 1 1 58 58 GLY H H 58 7.927 7.927 8.408 -0.481 18224 1387 1 4 . 1 1 59 59 HIS N N 59 116.847 116.847 125.111 -8.264 18224 1388 1 4 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.515 0.178 18224 1389 1 4 . 1 1 59 59 HIS C C 59 174.153 174.153 175.820 -1.667 18224 1390 1 4 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.838 -1.680 18224 1391 1 4 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.217 -2.302 18224 1392 1 4 . 1 1 59 59 HIS H H 59 8.120 8.120 8.221 -0.101 18224 1393 1 4 . 1 1 60 60 HIS N N 60 118.028 118.028 119.998 -1.970 18224 1394 1 4 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.199 0.493 18224 1395 1 4 . 1 1 60 60 HIS C C 60 173.987 173.987 174.176 -0.189 18224 1396 1 4 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.861 -0.353 18224 1397 1 4 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.087 -0.262 18224 1398 1 4 . 1 1 60 60 HIS H H 60 8.328 8.328 8.485 -0.157 18224 1399 1 4 . 1 1 61 61 HIS N N 61 118.101 118.101 118.771 -0.670 18224 1400 1 4 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.946 -0.256 18224 1401 1 4 . 1 1 61 61 HIS C C 61 174.032 174.032 175.442 -1.410 18224 1402 1 4 . 1 1 61 61 HIS CA C 61 55.718 55.718 54.873 0.845 18224 1403 1 4 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.673 -0.778 18224 1404 1 4 . 1 1 61 61 HIS H H 61 8.351 8.351 7.701 0.650 18224 1405 1 4 . 1 1 62 62 HIS N N 62 118.704 118.704 122.866 -4.162 18224 1406 1 4 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.425 0.276 18224 1407 1 4 . 1 1 62 62 HIS C C 62 173.803 173.803 174.321 -0.518 18224 1408 1 4 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.089 -0.485 18224 1409 1 4 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.504 -1.341 18224 1410 1 4 . 1 1 62 62 HIS H H 62 8.381 8.381 9.436 -1.055 18224 1411 1 4 . 1 1 63 63 HIS N N 63 118.853 118.853 122.233 -3.380 18224 1412 1 4 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.271 0.410 18224 1413 1 4 . 1 1 63 63 HIS C C 63 173.576 173.576 173.701 -0.125 18224 1414 1 4 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.005 0.693 18224 1415 1 4 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.017 -0.884 18224 1416 1 4 . 1 1 63 63 HIS H H 63 8.299 8.299 8.950 -0.651 18224 1417 1 5 . 1 1 2 2 GLU N N 2 122.762 122.762 121.178 1.584 18224 1418 1 5 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.491 -0.053 18224 1419 1 5 . 1 1 2 2 GLU C C 2 175.581 175.581 175.714 -0.133 18224 1420 1 5 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.658 -0.298 18224 1421 1 5 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.610 -0.028 18224 1422 1 5 . 1 1 2 2 GLU H H 2 8.628 8.628 8.645 -0.017 18224 1423 1 5 . 1 1 3 3 GLU N N 3 121.071 121.071 119.473 1.598 18224 1424 1 5 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.507 -0.126 18224 1425 1 5 . 1 1 3 3 GLU C C 3 176.457 176.457 176.128 0.329 18224 1426 1 5 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.492 -0.144 18224 1427 1 5 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.287 -0.088 18224 1428 1 5 . 1 1 3 3 GLU H H 3 8.393 8.393 8.158 0.235 18224 1429 1 5 . 1 1 4 4 GLY N N 4 109.717 109.717 108.222 1.495 18224 1430 1 5 . 1 1 4 4 GLY C C 4 174.677 174.677 174.161 0.516 18224 1431 1 5 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.701 -0.060 18224 1432 1 5 . 1 1 4 4 GLY H H 4 8.377 8.377 8.363 0.014 18224 1433 1 5 . 1 1 5 5 GLY N N 5 108.373 108.373 109.094 -0.721 18224 1434 1 5 . 1 1 5 5 GLY C C 5 174.047 174.047 172.222 1.825 18224 1435 1 5 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.836 0.736 18224 1436 1 5 . 1 1 5 5 GLY H H 5 8.115 8.115 8.272 -0.157 18224 1437 1 5 . 1 1 6 6 ASP N N 6 118.996 118.996 119.486 -0.490 18224 1438 1 5 . 1 1 6 6 ASP HA H 6 4.649 4.649 5.182 -0.533 18224 1439 1 5 . 1 1 6 6 ASP C C 6 175.903 175.903 175.144 0.759 18224 1440 1 5 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.436 0.609 18224 1441 1 5 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.898 -3.554 18224 1442 1 5 . 1 1 6 6 ASP H H 6 8.166 8.166 8.181 -0.015 18224 1443 1 5 . 1 1 7 7 PHE N N 7 119.750 119.750 119.570 0.180 18224 1444 1 5 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.832 -0.282 18224 1445 1 5 . 1 1 7 7 PHE C C 7 175.919 175.919 174.732 1.187 18224 1446 1 5 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.616 1.316 18224 1447 1 5 . 1 1 7 7 PHE CB C 7 39.180 39.180 42.342 -3.162 18224 1448 1 5 . 1 1 7 7 PHE H H 7 8.151 8.151 8.295 -0.144 18224 1449 1 5 . 1 1 8 8 ASP N N 8 118.526 118.526 121.307 -2.781 18224 1450 1 5 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.775 -0.277 18224 1451 1 5 . 1 1 8 8 ASP C C 8 175.787 175.787 174.781 1.006 18224 1452 1 5 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.454 0.181 18224 1453 1 5 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.809 -2.606 18224 1454 1 5 . 1 1 8 8 ASP H H 8 8.161 8.161 8.758 -0.597 18224 1455 1 5 . 1 1 9 9 ASN N N 9 117.291 117.291 119.773 -2.482 18224 1456 1 5 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.738 -0.167 18224 1457 1 5 . 1 1 9 9 ASN C C 9 175.142 175.142 174.036 1.106 18224 1458 1 5 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.912 1.022 18224 1459 1 5 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.219 -0.427 18224 1460 1 5 . 1 1 9 9 ASN H H 9 8.013 8.013 8.215 -0.202 18224 1461 1 5 . 1 1 10 10 TYR N N 10 119.112 119.112 122.431 -3.319 18224 1462 1 5 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.315 0.131 18224 1463 1 5 . 1 1 10 10 TYR C C 10 175.513 175.513 174.982 0.531 18224 1464 1 5 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.779 0.195 18224 1465 1 5 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.052 0.831 18224 1466 1 5 . 1 1 10 10 TYR H H 10 7.848 7.848 7.971 -0.123 18224 1467 1 5 . 1 1 11 11 TYR N N 11 119.438 119.438 127.426 -7.988 18224 1468 1 5 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.015 0.492 18224 1469 1 5 . 1 1 11 11 TYR C C 11 175.939 175.939 175.612 0.327 18224 1470 1 5 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.825 -0.528 18224 1471 1 5 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.020 -0.053 18224 1472 1 5 . 1 1 11 11 TYR H H 11 7.849 7.849 8.183 -0.334 18224 1473 1 5 . 1 1 12 12 GLY N N 12 109.685 109.685 105.939 3.746 18224 1474 1 5 . 1 1 12 12 GLY C C 12 174.099 174.099 173.270 0.829 18224 1475 1 5 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.871 0.674 18224 1476 1 5 . 1 1 12 12 GLY H H 12 7.792 7.792 8.282 -0.490 18224 1477 1 5 . 1 1 13 13 ALA N N 13 123.072 123.072 128.120 -5.048 18224 1478 1 5 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.199 0.076 18224 1479 1 5 . 1 1 13 13 ALA C C 13 177.669 177.669 177.917 -0.248 18224 1480 1 5 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.271 0.699 18224 1481 1 5 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.249 1.041 18224 1482 1 5 . 1 1 13 13 ALA H H 13 7.880 7.880 8.742 -0.862 18224 1483 1 5 . 1 1 14 14 ASP N N 14 117.540 117.540 122.725 -5.185 18224 1484 1 5 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.582 0.067 18224 1485 1 5 . 1 1 14 14 ASP C C 14 175.649 175.649 175.193 0.456 18224 1486 1 5 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.044 0.920 18224 1487 1 5 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.011 0.672 18224 1488 1 5 . 1 1 14 14 ASP H H 14 8.281 8.281 8.490 -0.209 18224 1489 1 5 . 1 1 15 15 ASN N N 15 118.400 118.400 118.245 0.155 18224 1490 1 5 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.783 -0.097 18224 1491 1 5 . 1 1 15 15 ASN C C 15 175.351 175.351 176.187 -0.836 18224 1492 1 5 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.519 0.089 18224 1493 1 5 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.218 -0.276 18224 1494 1 5 . 1 1 15 15 ASN H H 15 8.137 8.137 7.783 0.354 18224 1495 1 5 . 1 1 16 16 GLN N N 16 120.072 120.072 119.545 0.527 18224 1496 1 5 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.269 0.091 18224 1497 1 5 . 1 1 16 16 GLN C C 16 176.206 176.206 175.710 0.496 18224 1498 1 5 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.573 0.829 18224 1499 1 5 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.488 1.681 18224 1500 1 5 . 1 1 16 16 GLN H H 16 8.284 8.284 8.242 0.042 18224 1501 1 5 . 1 1 17 17 SER N N 17 116.112 116.112 114.675 1.437 18224 1502 1 5 . 1 1 17 17 SER HA H 17 4.440 4.440 4.090 0.350 18224 1503 1 5 . 1 1 17 17 SER C C 17 174.568 174.568 173.610 0.958 18224 1504 1 5 . 1 1 17 17 SER CA C 17 58.911 58.911 59.106 -0.195 18224 1505 1 5 . 1 1 17 17 SER CB C 17 63.897 63.897 62.974 0.923 18224 1506 1 5 . 1 1 17 17 SER H H 17 8.211 8.211 8.027 0.184 18224 1507 1 5 . 1 1 18 18 GLU N N 18 121.378 121.378 125.906 -4.528 18224 1508 1 5 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.544 -0.165 18224 1509 1 5 . 1 1 18 18 GLU C C 18 175.934 175.934 175.992 -0.058 18224 1510 1 5 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.002 1.404 18224 1511 1 5 . 1 1 18 18 GLU CB C 18 29.133 29.133 31.934 -2.801 18224 1512 1 5 . 1 1 18 18 GLU H H 18 8.262 8.262 8.224 0.038 18224 1513 1 5 . 1 1 19 19 CYS N N 19 119.418 119.418 121.343 -1.925 18224 1514 1 5 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.332 0.112 18224 1515 1 5 . 1 1 19 19 CYS C C 19 174.568 174.568 175.621 -1.053 18224 1516 1 5 . 1 1 19 19 CYS CA C 19 58.839 58.839 60.084 -1.245 18224 1517 1 5 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.181 -0.208 18224 1518 1 5 . 1 1 19 19 CYS H H 19 8.182 8.182 8.541 -0.359 18224 1519 1 5 . 1 1 20 20 GLU N N 20 122.737 122.737 119.084 3.653 18224 1520 1 5 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.028 0.279 18224 1521 1 5 . 1 1 20 20 GLU C C 20 176.083 176.083 175.090 0.993 18224 1522 1 5 . 1 1 20 20 GLU CA C 20 56.540 56.540 55.902 0.638 18224 1523 1 5 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.045 -1.179 18224 1524 1 5 . 1 1 20 20 GLU H H 20 8.303 8.303 8.320 -0.017 18224 1525 1 5 . 1 1 21 21 TYR N N 21 119.549 119.549 111.009 8.540 18224 1526 1 5 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.142 0.332 18224 1527 1 5 . 1 1 21 21 TYR C C 21 175.826 175.826 173.416 2.410 18224 1528 1 5 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.453 0.218 18224 1529 1 5 . 1 1 21 21 TYR CB C 21 38.589 38.589 35.896 2.693 18224 1530 1 5 . 1 1 21 21 TYR H H 21 7.888 7.888 7.889 -0.001 18224 1531 1 5 . 1 1 22 22 THR N N 22 112.218 112.218 111.466 0.752 18224 1532 1 5 . 1 1 22 22 THR HA H 22 4.163 4.163 3.603 0.560 18224 1533 1 5 . 1 1 22 22 THR C C 22 174.737 174.737 174.209 0.528 18224 1534 1 5 . 1 1 22 22 THR CA C 22 62.778 62.778 63.039 -0.261 18224 1535 1 5 . 1 1 22 22 THR CB C 22 69.531 69.531 69.084 0.447 18224 1536 1 5 . 1 1 22 22 THR H H 22 7.683 7.683 7.186 0.497 18224 1537 1 5 . 1 1 23 23 ASP N N 23 121.090 121.090 119.257 1.833 18224 1538 1 5 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.728 -0.017 18224 1539 1 5 . 1 1 23 23 ASP C C 23 176.279 176.279 177.428 -1.149 18224 1540 1 5 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.836 1.274 18224 1541 1 5 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.738 -1.400 18224 1542 1 5 . 1 1 23 23 ASP H H 23 8.059 8.059 7.830 0.229 18224 1543 1 5 . 1 1 24 24 TRP N N 24 121.546 121.546 121.090 0.456 18224 1544 1 5 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.388 0.098 18224 1545 1 5 . 1 1 24 24 TRP C C 24 177.051 177.051 176.794 0.257 18224 1546 1 5 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.451 1.377 18224 1547 1 5 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.037 1.031 18224 1548 1 5 . 1 1 24 24 TRP H H 24 7.888 7.888 7.225 0.663 18224 1549 1 5 . 1 1 25 25 LYS N N 25 120.106 120.106 120.640 -0.534 18224 1550 1 5 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.436 -0.446 18224 1551 1 5 . 1 1 25 25 LYS C C 25 176.764 176.764 175.567 1.197 18224 1552 1 5 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.834 0.888 18224 1553 1 5 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.084 1.217 18224 1554 1 5 . 1 1 25 25 LYS H H 25 7.620 7.620 8.107 -0.487 18224 1555 1 5 . 1 1 26 26 SER N N 26 114.114 114.114 119.252 -5.138 18224 1556 1 5 . 1 1 26 26 SER HA H 26 4.471 4.471 4.627 -0.156 18224 1557 1 5 . 1 1 26 26 SER C C 26 175.124 175.124 174.531 0.593 18224 1558 1 5 . 1 1 26 26 SER CA C 26 58.757 58.757 58.530 0.227 18224 1559 1 5 . 1 1 26 26 SER CB C 26 63.812 63.812 64.556 -0.744 18224 1560 1 5 . 1 1 26 26 SER H H 26 7.796 7.796 8.156 -0.360 18224 1561 1 5 . 1 1 27 27 SER N N 27 116.655 116.655 118.799 -2.144 18224 1562 1 5 . 1 1 27 27 SER HA H 27 4.386 4.386 4.157 0.229 18224 1563 1 5 . 1 1 27 27 SER C C 27 175.505 175.505 175.096 0.409 18224 1564 1 5 . 1 1 27 27 SER CA C 27 59.611 59.611 59.185 0.426 18224 1565 1 5 . 1 1 27 27 SER CB C 27 64.117 64.117 62.584 1.533 18224 1566 1 5 . 1 1 27 27 SER H H 27 8.046 8.046 8.578 -0.532 18224 1567 1 5 . 1 1 28 28 GLY N N 28 111.049 111.049 105.992 5.057 18224 1568 1 5 . 1 1 28 28 GLY C C 28 174.495 174.495 174.599 -0.104 18224 1569 1 5 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.364 0.757 18224 1570 1 5 . 1 1 28 28 GLY H H 28 8.304 8.304 8.572 -0.268 18224 1571 1 5 . 1 1 29 29 ALA N N 29 121.693 121.693 119.292 2.401 18224 1572 1 5 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.966 0.383 18224 1573 1 5 . 1 1 29 29 ALA C C 29 177.695 177.695 177.024 0.671 18224 1574 1 5 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.572 -0.461 18224 1575 1 5 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.544 2.420 18224 1576 1 5 . 1 1 29 29 ALA H H 29 7.941 7.941 8.121 -0.180 18224 1577 1 5 . 1 1 30 30 LEU N N 30 117.996 117.996 115.650 2.346 18224 1578 1 5 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.433 -0.251 18224 1579 1 5 . 1 1 30 30 LEU C C 30 177.484 177.484 178.398 -0.914 18224 1580 1 5 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.067 1.903 18224 1581 1 5 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.991 -0.569 18224 1582 1 5 . 1 1 30 30 LEU H H 30 7.968 7.968 7.419 0.549 18224 1583 1 5 . 1 1 31 31 ILE N N 31 117.106 117.106 120.696 -3.590 18224 1584 1 5 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.122 -0.183 18224 1585 1 5 . 1 1 31 31 ILE C C 31 174.998 174.998 175.039 -0.041 18224 1586 1 5 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.365 1.558 18224 1587 1 5 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.426 -0.318 18224 1588 1 5 . 1 1 31 31 ILE H H 31 8.027 8.027 7.465 0.562 18224 1589 1 5 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.339 -0.055 18224 1590 1 5 . 1 1 32 32 PRO C C 32 178.663 178.663 178.194 0.469 18224 1591 1 5 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.156 -0.163 18224 1592 1 5 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.837 0.219 18224 1593 1 5 . 1 1 33 33 ALA N N 33 119.031 119.031 118.851 0.180 18224 1594 1 5 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.073 0.093 18224 1595 1 5 . 1 1 33 33 ALA C C 33 178.942 178.942 179.462 -0.520 18224 1596 1 5 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.556 0.984 18224 1597 1 5 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.114 0.371 18224 1598 1 5 . 1 1 33 33 ALA H H 33 7.580 7.580 8.503 -0.923 18224 1599 1 5 . 1 1 34 34 ILE N N 34 117.923 117.923 117.374 0.549 18224 1600 1 5 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.825 -0.126 18224 1601 1 5 . 1 1 34 34 ILE C C 34 177.833 177.833 177.319 0.514 18224 1602 1 5 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.045 1.067 18224 1603 1 5 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.202 -0.850 18224 1604 1 5 . 1 1 34 34 ILE H H 34 8.234 8.234 7.281 0.953 18224 1605 1 5 . 1 1 35 35 TYR N N 35 118.746 118.746 120.728 -1.982 18224 1606 1 5 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.163 -0.048 18224 1607 1 5 . 1 1 35 35 TYR C C 35 178.044 178.044 177.717 0.327 18224 1608 1 5 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.867 -0.109 18224 1609 1 5 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.720 -0.705 18224 1610 1 5 . 1 1 35 35 TYR H H 35 8.355 8.355 7.977 0.378 18224 1611 1 5 . 1 1 36 36 MET N N 36 117.813 117.813 116.830 0.983 18224 1612 1 5 . 1 1 36 36 MET HA H 36 4.281 4.281 4.100 0.181 18224 1613 1 5 . 1 1 36 36 MET C C 36 178.139 178.139 178.438 -0.299 18224 1614 1 5 . 1 1 36 36 MET CA C 36 58.482 58.482 58.921 -0.439 18224 1615 1 5 . 1 1 36 36 MET CB C 36 31.716 31.716 31.815 -0.099 18224 1616 1 5 . 1 1 36 36 MET H H 36 8.107 8.107 8.497 -0.390 18224 1617 1 5 . 1 1 37 37 LEU N N 37 120.311 120.311 120.595 -0.284 18224 1618 1 5 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.198 -0.123 18224 1619 1 5 . 1 1 37 37 LEU C C 37 178.399 178.399 179.061 -0.662 18224 1620 1 5 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.278 0.192 18224 1621 1 5 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.092 0.861 18224 1622 1 5 . 1 1 37 37 LEU H H 37 8.229 8.229 7.691 0.538 18224 1623 1 5 . 1 1 38 38 VAL N N 38 118.080 118.080 115.679 2.401 18224 1624 1 5 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.846 -0.321 18224 1625 1 5 . 1 1 38 38 VAL C C 38 178.139 178.139 177.607 0.532 18224 1626 1 5 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.469 2.683 18224 1627 1 5 . 1 1 38 38 VAL CB C 38 31.450 31.450 30.717 0.733 18224 1628 1 5 . 1 1 38 38 VAL H H 38 8.363 8.363 7.735 0.628 18224 1629 1 5 . 1 1 39 39 PHE N N 39 120.151 120.151 121.322 -1.171 18224 1630 1 5 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.509 -0.286 18224 1631 1 5 . 1 1 39 39 PHE C C 39 178.544 178.544 176.909 1.635 18224 1632 1 5 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.179 0.146 18224 1633 1 5 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.357 -1.441 18224 1634 1 5 . 1 1 39 39 PHE H H 39 8.306 8.306 7.327 0.979 18224 1635 1 5 . 1 1 40 40 LEU N N 40 121.004 121.004 117.557 3.447 18224 1636 1 5 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.082 -0.059 18224 1637 1 5 . 1 1 40 40 LEU C C 40 179.704 179.704 178.208 1.496 18224 1638 1 5 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.389 0.549 18224 1639 1 5 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.275 1.017 18224 1640 1 5 . 1 1 40 40 LEU H H 40 8.567 8.567 8.073 0.494 18224 1641 1 5 . 1 1 41 41 LEU N N 41 119.593 119.593 119.068 0.525 18224 1642 1 5 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.127 -0.066 18224 1643 1 5 . 1 1 41 41 LEU C C 41 178.966 178.966 177.681 1.285 18224 1644 1 5 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.025 1.671 18224 1645 1 5 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.602 -0.810 18224 1646 1 5 . 1 1 41 41 LEU H H 41 8.503 8.503 7.623 0.880 18224 1647 1 5 . 1 1 42 42 GLY N N 42 105.838 105.838 102.772 3.066 18224 1648 1 5 . 1 1 42 42 GLY C C 42 175.587 175.587 173.888 1.699 18224 1649 1 5 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.565 1.005 18224 1650 1 5 . 1 1 42 42 GLY H H 42 8.355 8.355 7.805 0.550 18224 1651 1 5 . 1 1 43 43 THR N N 43 112.333 112.333 114.726 -2.393 18224 1652 1 5 . 1 1 43 43 THR HA H 43 4.290 4.290 4.076 0.214 18224 1653 1 5 . 1 1 43 43 THR C C 43 175.765 175.765 175.793 -0.028 18224 1654 1 5 . 1 1 43 43 THR CA C 43 63.680 63.680 63.325 0.355 18224 1655 1 5 . 1 1 43 43 THR CB C 43 69.626 69.626 68.713 0.913 18224 1656 1 5 . 1 1 43 43 THR H H 43 7.895 7.895 7.761 0.134 18224 1657 1 5 . 1 1 44 44 THR N N 44 112.041 112.041 113.401 -1.360 18224 1658 1 5 . 1 1 44 44 THR HA H 44 4.388 4.388 4.422 -0.034 18224 1659 1 5 . 1 1 44 44 THR C C 44 175.555 175.555 175.463 0.092 18224 1660 1 5 . 1 1 44 44 THR CA C 44 62.732 62.732 62.770 -0.038 18224 1661 1 5 . 1 1 44 44 THR CB C 44 70.240 70.240 70.007 0.232 18224 1662 1 5 . 1 1 44 44 THR H H 44 7.684 7.684 8.059 -0.375 18224 1663 1 5 . 1 1 45 45 GLY N N 45 109.756 109.756 110.061 -0.305 18224 1664 1 5 . 1 1 45 45 GLY C C 45 174.948 174.948 173.406 1.542 18224 1665 1 5 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.951 1.401 18224 1666 1 5 . 1 1 45 45 GLY H H 45 8.058 8.058 8.217 -0.159 18224 1667 1 5 . 1 1 46 46 ASN N N 46 117.561 117.561 119.400 -1.839 18224 1668 1 5 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.436 0.409 18224 1669 1 5 . 1 1 46 46 ASN C C 46 175.853 175.853 174.933 0.920 18224 1670 1 5 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.791 0.301 18224 1671 1 5 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.776 0.737 18224 1672 1 5 . 1 1 46 46 ASN H H 46 8.202 8.202 8.251 -0.049 18224 1673 1 5 . 1 1 47 47 GLY N N 47 108.715 108.715 111.300 -2.585 18224 1674 1 5 . 1 1 47 47 GLY C C 47 174.431 174.431 173.441 0.990 18224 1675 1 5 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.309 1.852 18224 1676 1 5 . 1 1 47 47 GLY H H 47 8.600 8.600 8.567 0.033 18224 1677 1 5 . 1 1 48 48 LEU N N 48 120.089 120.089 122.121 -2.032 18224 1678 1 5 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.708 -0.389 18224 1679 1 5 . 1 1 48 48 LEU C C 48 179.243 179.243 177.311 1.932 18224 1680 1 5 . 1 1 48 48 LEU CA C 48 57.316 57.316 54.498 2.818 18224 1681 1 5 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.197 -1.359 18224 1682 1 5 . 1 1 48 48 LEU H H 48 8.003 8.003 8.225 -0.222 18224 1683 1 5 . 1 1 49 49 VAL N N 49 120.573 120.573 120.243 0.330 18224 1684 1 5 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.869 -0.048 18224 1685 1 5 . 1 1 49 49 VAL C C 49 177.520 177.520 177.545 -0.025 18224 1686 1 5 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.518 -0.456 18224 1687 1 5 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.623 -0.136 18224 1688 1 5 . 1 1 49 49 VAL H H 49 7.910 7.910 7.875 0.035 18224 1689 1 5 . 1 1 50 50 LEU N N 50 119.718 119.718 120.177 -0.459 18224 1690 1 5 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.133 -0.106 18224 1691 1 5 . 1 1 50 50 LEU C C 50 178.169 178.169 178.684 -0.515 18224 1692 1 5 . 1 1 50 50 LEU CA C 50 58.052 58.052 58.364 -0.312 18224 1693 1 5 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.092 1.649 18224 1694 1 5 . 1 1 50 50 LEU H H 50 7.860 7.860 8.148 -0.288 18224 1695 1 5 . 1 1 51 51 TRP N N 51 118.071 118.071 119.049 -0.978 18224 1696 1 5 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.406 0.136 18224 1697 1 5 . 1 1 51 51 TRP C C 51 177.296 177.296 177.883 -0.587 18224 1698 1 5 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.286 -0.368 18224 1699 1 5 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.554 1.421 18224 1700 1 5 . 1 1 51 51 TRP H H 51 8.109 8.109 8.431 -0.322 18224 1701 1 5 . 1 1 52 52 THR N N 52 113.243 113.243 116.313 -3.070 18224 1702 1 5 . 1 1 52 52 THR HA H 52 3.773 3.773 3.502 0.271 18224 1703 1 5 . 1 1 52 52 THR C C 52 176.402 176.402 176.166 0.236 18224 1704 1 5 . 1 1 52 52 THR CA C 52 66.690 66.690 66.396 0.294 18224 1705 1 5 . 1 1 52 52 THR CB C 52 68.921 68.921 69.361 -0.440 18224 1706 1 5 . 1 1 52 52 THR H H 52 8.072 8.072 8.113 -0.041 18224 1707 1 5 . 1 1 53 53 VAL N N 53 120.307 120.307 122.055 -1.748 18224 1708 1 5 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.580 0.083 18224 1709 1 5 . 1 1 53 53 VAL C C 53 177.362 177.362 177.643 -0.281 18224 1710 1 5 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.957 0.335 18224 1711 1 5 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.562 0.155 18224 1712 1 5 . 1 1 53 53 VAL H H 53 8.006 8.006 7.645 0.361 18224 1713 1 5 . 1 1 54 54 PHE N N 54 119.041 119.041 117.633 1.408 18224 1714 1 5 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.459 -0.231 18224 1715 1 5 . 1 1 54 54 PHE C C 54 177.476 177.476 175.407 2.069 18224 1716 1 5 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.531 2.361 18224 1717 1 5 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.540 -0.944 18224 1718 1 5 . 1 1 54 54 PHE H H 54 8.143 8.143 8.451 -0.308 18224 1719 1 5 . 1 1 55 55 ARG N N 55 117.543 117.543 119.664 -2.121 18224 1720 1 5 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.244 0.619 18224 1721 1 5 . 1 1 55 55 ARG C C 55 177.832 177.832 178.052 -0.220 18224 1722 1 5 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.805 -0.099 18224 1723 1 5 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.657 -0.181 18224 1724 1 5 . 1 1 55 55 ARG H H 55 8.112 8.112 7.769 0.343 18224 1725 1 5 . 1 1 56 56 LYS N N 56 118.390 118.390 118.528 -0.138 18224 1726 1 5 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.987 0.176 18224 1727 1 5 . 1 1 56 56 LYS C C 56 177.400 177.400 178.577 -1.177 18224 1728 1 5 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.594 -0.885 18224 1729 1 5 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.377 0.402 18224 1730 1 5 . 1 1 56 56 LYS H H 56 7.789 7.789 7.799 -0.010 18224 1731 1 5 . 1 1 57 57 LYS N N 57 118.190 118.190 120.162 -1.972 18224 1732 1 5 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.226 0.033 18224 1733 1 5 . 1 1 57 57 LYS C C 57 176.791 176.791 176.791 0.000 18224 1734 1 5 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.890 0.535 18224 1735 1 5 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.786 2.037 18224 1736 1 5 . 1 1 57 57 LYS H H 57 7.821 7.821 7.504 0.317 18224 1737 1 5 . 1 1 58 58 GLY N N 58 107.289 107.289 109.610 -2.321 18224 1738 1 5 . 1 1 58 58 GLY C C 58 173.607 173.607 174.799 -1.192 18224 1739 1 5 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.294 0.180 18224 1740 1 5 . 1 1 58 58 GLY H H 58 7.927 7.927 7.972 -0.045 18224 1741 1 5 . 1 1 59 59 HIS N N 59 116.847 116.847 118.142 -1.295 18224 1742 1 5 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.549 0.144 18224 1743 1 5 . 1 1 59 59 HIS C C 59 174.153 174.153 176.517 -2.364 18224 1744 1 5 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.351 -1.193 18224 1745 1 5 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.229 -0.314 18224 1746 1 5 . 1 1 59 59 HIS H H 59 8.120 8.120 7.670 0.450 18224 1747 1 5 . 1 1 60 60 HIS N N 60 118.028 118.028 121.448 -3.420 18224 1748 1 5 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.658 0.034 18224 1749 1 5 . 1 1 60 60 HIS C C 60 173.987 173.987 175.743 -1.756 18224 1750 1 5 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.315 0.193 18224 1751 1 5 . 1 1 60 60 HIS CB C 60 28.825 28.825 27.669 1.157 18224 1752 1 5 . 1 1 60 60 HIS H H 60 8.328 8.328 8.695 -0.367 18224 1753 1 5 . 1 1 61 61 HIS N N 61 118.101 118.101 120.673 -2.572 18224 1754 1 5 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.427 0.263 18224 1755 1 5 . 1 1 61 61 HIS C C 61 174.032 174.032 175.420 -1.388 18224 1756 1 5 . 1 1 61 61 HIS CA C 61 55.718 55.718 57.342 -1.623 18224 1757 1 5 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.539 -1.644 18224 1758 1 5 . 1 1 61 61 HIS H H 61 8.351 8.351 8.990 -0.639 18224 1759 1 5 . 1 1 62 62 HIS N N 62 118.704 118.704 116.443 2.261 18224 1760 1 5 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.480 0.221 18224 1761 1 5 . 1 1 62 62 HIS C C 62 173.803 173.803 172.572 1.231 18224 1762 1 5 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.632 -0.028 18224 1763 1 5 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.390 -1.227 18224 1764 1 5 . 1 1 62 62 HIS H H 62 8.381 8.381 6.626 1.755 18224 1765 1 5 . 1 1 63 63 HIS N N 63 118.853 118.853 122.926 -4.073 18224 1766 1 5 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.287 0.394 18224 1767 1 5 . 1 1 63 63 HIS C C 63 173.576 173.576 173.632 -0.056 18224 1768 1 5 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.518 0.180 18224 1769 1 5 . 1 1 63 63 HIS CB C 63 29.133 29.133 31.984 -2.851 18224 1770 1 5 . 1 1 63 63 HIS H H 63 8.299 8.299 8.080 0.219 18224 1771 1 6 . 1 1 2 2 GLU N N 2 122.762 122.762 121.245 1.517 18224 1772 1 6 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.679 -0.241 18224 1773 1 6 . 1 1 2 2 GLU C C 2 175.581 175.581 175.313 0.268 18224 1774 1 6 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.651 -0.291 18224 1775 1 6 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.296 -0.714 18224 1776 1 6 . 1 1 2 2 GLU H H 2 8.628 8.628 8.735 -0.106 18224 1777 1 6 . 1 1 3 3 GLU N N 3 121.071 121.071 124.068 -2.997 18224 1778 1 6 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.496 -0.115 18224 1779 1 6 . 1 1 3 3 GLU C C 3 176.457 176.457 176.076 0.381 18224 1780 1 6 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.671 -0.323 18224 1781 1 6 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.474 -0.275 18224 1782 1 6 . 1 1 3 3 GLU H H 3 8.393 8.393 8.678 -0.285 18224 1783 1 6 . 1 1 4 4 GLY N N 4 109.717 109.717 108.599 1.118 18224 1784 1 6 . 1 1 4 4 GLY C C 4 174.677 174.677 175.162 -0.485 18224 1785 1 6 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.295 0.346 18224 1786 1 6 . 1 1 4 4 GLY H H 4 8.377 8.377 8.101 0.276 18224 1787 1 6 . 1 1 5 5 GLY N N 5 108.373 108.373 111.398 -3.025 18224 1788 1 6 . 1 1 5 5 GLY C C 5 174.047 174.047 174.281 -0.234 18224 1789 1 6 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.362 0.210 18224 1790 1 6 . 1 1 5 5 GLY H H 5 8.115 8.115 8.316 -0.201 18224 1791 1 6 . 1 1 6 6 ASP N N 6 118.996 118.996 120.894 -1.898 18224 1792 1 6 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.365 0.284 18224 1793 1 6 . 1 1 6 6 ASP C C 6 175.903 175.903 175.164 0.739 18224 1794 1 6 . 1 1 6 6 ASP CA C 6 54.045 54.045 55.419 -1.375 18224 1795 1 6 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.911 -1.567 18224 1796 1 6 . 1 1 6 6 ASP H H 6 8.166 8.166 8.077 0.089 18224 1797 1 6 . 1 1 7 7 PHE N N 7 119.750 119.750 119.314 0.436 18224 1798 1 6 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.625 -0.075 18224 1799 1 6 . 1 1 7 7 PHE C C 7 175.919 175.919 175.441 0.478 18224 1800 1 6 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.559 0.374 18224 1801 1 6 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.369 -1.189 18224 1802 1 6 . 1 1 7 7 PHE H H 7 8.151 8.151 8.358 -0.207 18224 1803 1 6 . 1 1 8 8 ASP N N 8 118.526 118.526 121.183 -2.657 18224 1804 1 6 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.819 -0.321 18224 1805 1 6 . 1 1 8 8 ASP C C 8 175.787 175.787 175.135 0.652 18224 1806 1 6 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.497 0.138 18224 1807 1 6 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.031 -1.828 18224 1808 1 6 . 1 1 8 8 ASP H H 8 8.161 8.161 8.569 -0.408 18224 1809 1 6 . 1 1 9 9 ASN N N 9 117.291 117.291 118.935 -1.644 18224 1810 1 6 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.931 -0.360 18224 1811 1 6 . 1 1 9 9 ASN C C 9 175.142 175.142 174.155 0.987 18224 1812 1 6 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.599 1.335 18224 1813 1 6 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.153 -0.361 18224 1814 1 6 . 1 1 9 9 ASN H H 9 8.013 8.013 8.131 -0.118 18224 1815 1 6 . 1 1 10 10 TYR N N 10 119.112 119.112 121.657 -2.545 18224 1816 1 6 . 1 1 10 10 TYR HA H 10 4.446 4.446 3.839 0.607 18224 1817 1 6 . 1 1 10 10 TYR C C 10 175.513 175.513 175.714 -0.201 18224 1818 1 6 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.534 0.440 18224 1819 1 6 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.378 1.505 18224 1820 1 6 . 1 1 10 10 TYR H H 10 7.848 7.848 7.997 -0.149 18224 1821 1 6 . 1 1 11 11 TYR N N 11 119.438 119.438 121.508 -2.070 18224 1822 1 6 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.427 0.080 18224 1823 1 6 . 1 1 11 11 TYR C C 11 175.939 175.939 176.570 -0.631 18224 1824 1 6 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.134 1.163 18224 1825 1 6 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.727 0.240 18224 1826 1 6 . 1 1 11 11 TYR H H 11 7.849 7.849 7.304 0.545 18224 1827 1 6 . 1 1 12 12 GLY N N 12 109.685 109.685 107.142 2.543 18224 1828 1 6 . 1 1 12 12 GLY C C 12 174.099 174.099 173.398 0.701 18224 1829 1 6 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.564 -0.019 18224 1830 1 6 . 1 1 12 12 GLY H H 12 7.792 7.792 9.105 -1.313 18224 1831 1 6 . 1 1 13 13 ALA N N 13 123.072 123.072 122.982 0.090 18224 1832 1 6 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.627 -0.352 18224 1833 1 6 . 1 1 13 13 ALA C C 13 177.669 177.669 176.045 1.624 18224 1834 1 6 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.989 0.981 18224 1835 1 6 . 1 1 13 13 ALA CB C 13 19.290 19.290 20.048 -0.758 18224 1836 1 6 . 1 1 13 13 ALA H H 13 7.880 7.880 8.012 -0.132 18224 1837 1 6 . 1 1 14 14 ASP N N 14 117.540 117.540 120.994 -3.454 18224 1838 1 6 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.642 0.007 18224 1839 1 6 . 1 1 14 14 ASP C C 14 175.649 175.649 175.463 0.186 18224 1840 1 6 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.288 -0.324 18224 1841 1 6 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.288 0.394 18224 1842 1 6 . 1 1 14 14 ASP H H 14 8.281 8.281 8.783 -0.502 18224 1843 1 6 . 1 1 15 15 ASN N N 15 118.400 118.400 117.012 1.388 18224 1844 1 6 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.768 -0.082 18224 1845 1 6 . 1 1 15 15 ASN C C 15 175.351 175.351 176.276 -0.925 18224 1846 1 6 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.293 0.315 18224 1847 1 6 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.226 -0.284 18224 1848 1 6 . 1 1 15 15 ASN H H 15 8.137 8.137 7.876 0.261 18224 1849 1 6 . 1 1 16 16 GLN N N 16 120.072 120.072 120.635 -0.563 18224 1850 1 6 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.079 0.281 18224 1851 1 6 . 1 1 16 16 GLN C C 16 176.206 176.206 176.133 0.073 18224 1852 1 6 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.590 -0.188 18224 1853 1 6 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.308 0.861 18224 1854 1 6 . 1 1 16 16 GLN H H 16 8.284 8.284 8.310 -0.026 18224 1855 1 6 . 1 1 17 17 SER N N 17 116.112 116.112 115.444 0.668 18224 1856 1 6 . 1 1 17 17 SER HA H 17 4.440 4.440 4.171 0.269 18224 1857 1 6 . 1 1 17 17 SER C C 17 174.568 174.568 173.924 0.644 18224 1858 1 6 . 1 1 17 17 SER CA C 17 58.911 58.911 58.555 0.356 18224 1859 1 6 . 1 1 17 17 SER CB C 17 63.897 63.897 62.961 0.936 18224 1860 1 6 . 1 1 17 17 SER H H 17 8.211 8.211 8.063 0.148 18224 1861 1 6 . 1 1 18 18 GLU N N 18 121.378 121.378 125.070 -3.692 18224 1862 1 6 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.377 0.002 18224 1863 1 6 . 1 1 18 18 GLU C C 18 175.934 175.934 175.857 0.077 18224 1864 1 6 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.398 0.008 18224 1865 1 6 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.669 -0.536 18224 1866 1 6 . 1 1 18 18 GLU H H 18 8.262 8.262 8.690 -0.428 18224 1867 1 6 . 1 1 19 19 CYS N N 19 119.418 119.418 124.043 -4.625 18224 1868 1 6 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.666 -0.222 18224 1869 1 6 . 1 1 19 19 CYS C C 19 174.568 174.568 174.148 0.420 18224 1870 1 6 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.722 1.117 18224 1871 1 6 . 1 1 19 19 CYS CB C 19 27.973 27.973 31.418 -3.445 18224 1872 1 6 . 1 1 19 19 CYS H H 19 8.182 8.182 7.961 0.221 18224 1873 1 6 . 1 1 20 20 GLU N N 20 122.737 122.737 117.816 4.921 18224 1874 1 6 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.636 0.671 18224 1875 1 6 . 1 1 20 20 GLU C C 20 176.083 176.083 177.143 -1.060 18224 1876 1 6 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.816 -2.276 18224 1877 1 6 . 1 1 20 20 GLU CB C 20 28.866 28.866 27.234 1.632 18224 1878 1 6 . 1 1 20 20 GLU H H 20 8.303 8.303 8.704 -0.401 18224 1879 1 6 . 1 1 21 21 TYR N N 21 119.549 119.549 117.017 2.532 18224 1880 1 6 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.302 0.172 18224 1881 1 6 . 1 1 21 21 TYR C C 21 175.826 175.826 176.622 -0.796 18224 1882 1 6 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.969 -0.298 18224 1883 1 6 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.467 1.122 18224 1884 1 6 . 1 1 21 21 TYR H H 21 7.888 7.888 7.185 0.703 18224 1885 1 6 . 1 1 22 22 THR N N 22 112.218 112.218 110.282 1.936 18224 1886 1 6 . 1 1 22 22 THR HA H 22 4.163 4.163 3.232 0.931 18224 1887 1 6 . 1 1 22 22 THR C C 22 174.737 174.737 174.278 0.459 18224 1888 1 6 . 1 1 22 22 THR CA C 22 62.778 62.778 63.745 -0.967 18224 1889 1 6 . 1 1 22 22 THR CB C 22 69.531 69.531 68.834 0.697 18224 1890 1 6 . 1 1 22 22 THR H H 22 7.683 7.683 7.479 0.204 18224 1891 1 6 . 1 1 23 23 ASP N N 23 121.090 121.090 121.227 -0.137 18224 1892 1 6 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.577 0.134 18224 1893 1 6 . 1 1 23 23 ASP C C 23 176.279 176.279 177.653 -1.374 18224 1894 1 6 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.550 0.560 18224 1895 1 6 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.919 -0.581 18224 1896 1 6 . 1 1 23 23 ASP H H 23 8.059 8.059 7.443 0.616 18224 1897 1 6 . 1 1 24 24 TRP N N 24 121.546 121.546 122.445 -0.899 18224 1898 1 6 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.371 0.115 18224 1899 1 6 . 1 1 24 24 TRP C C 24 177.051 177.051 177.177 -0.126 18224 1900 1 6 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.237 0.591 18224 1901 1 6 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.805 1.263 18224 1902 1 6 . 1 1 24 24 TRP H H 24 7.888 7.888 6.737 1.151 18224 1903 1 6 . 1 1 25 25 LYS N N 25 120.106 120.106 120.349 -0.243 18224 1904 1 6 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.535 -0.545 18224 1905 1 6 . 1 1 25 25 LYS C C 25 176.764 176.764 175.956 0.808 18224 1906 1 6 . 1 1 25 25 LYS CA C 25 57.722 57.722 55.733 1.990 18224 1907 1 6 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.474 1.827 18224 1908 1 6 . 1 1 25 25 LYS H H 25 7.620 7.620 8.130 -0.510 18224 1909 1 6 . 1 1 26 26 SER N N 26 114.114 114.114 118.845 -4.731 18224 1910 1 6 . 1 1 26 26 SER HA H 26 4.471 4.471 4.384 0.087 18224 1911 1 6 . 1 1 26 26 SER C C 26 175.124 175.124 175.529 -0.405 18224 1912 1 6 . 1 1 26 26 SER CA C 26 58.757 58.757 60.847 -2.090 18224 1913 1 6 . 1 1 26 26 SER CB C 26 63.812 63.812 63.367 0.445 18224 1914 1 6 . 1 1 26 26 SER H H 26 7.796 7.796 8.300 -0.504 18224 1915 1 6 . 1 1 27 27 SER N N 27 116.655 116.655 116.530 0.125 18224 1916 1 6 . 1 1 27 27 SER HA H 27 4.386 4.386 4.521 -0.135 18224 1917 1 6 . 1 1 27 27 SER C C 27 175.505 175.505 174.771 0.734 18224 1918 1 6 . 1 1 27 27 SER CA C 27 59.611 59.611 58.131 1.480 18224 1919 1 6 . 1 1 27 27 SER CB C 27 64.117 64.117 62.715 1.402 18224 1920 1 6 . 1 1 27 27 SER H H 27 8.046 8.046 8.239 -0.193 18224 1921 1 6 . 1 1 28 28 GLY N N 28 111.049 111.049 110.360 0.689 18224 1922 1 6 . 1 1 28 28 GLY C C 28 174.495 174.495 174.010 0.485 18224 1923 1 6 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.874 1.247 18224 1924 1 6 . 1 1 28 28 GLY H H 28 8.304 8.304 7.394 0.910 18224 1925 1 6 . 1 1 29 29 ALA N N 29 121.693 121.693 119.459 2.234 18224 1926 1 6 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.058 0.291 18224 1927 1 6 . 1 1 29 29 ALA C C 29 177.695 177.695 177.370 0.325 18224 1928 1 6 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.352 0.759 18224 1929 1 6 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.643 1.321 18224 1930 1 6 . 1 1 29 29 ALA H H 29 7.941 7.941 7.762 0.179 18224 1931 1 6 . 1 1 30 30 LEU N N 30 117.996 117.996 125.379 -7.383 18224 1932 1 6 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.085 0.097 18224 1933 1 6 . 1 1 30 30 LEU C C 30 177.484 177.484 178.484 -1.000 18224 1934 1 6 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.917 1.053 18224 1935 1 6 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.035 0.387 18224 1936 1 6 . 1 1 30 30 LEU H H 30 7.968 7.968 8.108 -0.140 18224 1937 1 6 . 1 1 31 31 ILE N N 31 117.106 117.106 117.693 -0.587 18224 1938 1 6 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.270 -0.331 18224 1939 1 6 . 1 1 31 31 ILE C C 31 174.998 174.998 175.959 -0.961 18224 1940 1 6 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.268 1.654 18224 1941 1 6 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.552 -0.444 18224 1942 1 6 . 1 1 31 31 ILE H H 31 8.027 8.027 8.151 -0.124 18224 1943 1 6 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.349 -0.065 18224 1944 1 6 . 1 1 32 32 PRO C C 32 178.663 178.663 177.285 1.378 18224 1945 1 6 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.347 0.646 18224 1946 1 6 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.692 0.364 18224 1947 1 6 . 1 1 33 33 ALA N N 33 119.031 119.031 119.657 -0.626 18224 1948 1 6 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.287 -0.121 18224 1949 1 6 . 1 1 33 33 ALA C C 33 178.942 178.942 179.290 -0.348 18224 1950 1 6 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.446 1.094 18224 1951 1 6 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.722 -0.237 18224 1952 1 6 . 1 1 33 33 ALA H H 33 7.580 7.580 7.597 -0.017 18224 1953 1 6 . 1 1 34 34 ILE N N 34 117.923 117.923 117.908 0.015 18224 1954 1 6 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.880 -0.181 18224 1955 1 6 . 1 1 34 34 ILE C C 34 177.833 177.833 176.988 0.845 18224 1956 1 6 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.840 1.272 18224 1957 1 6 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.211 -0.860 18224 1958 1 6 . 1 1 34 34 ILE H H 34 8.234 8.234 7.839 0.395 18224 1959 1 6 . 1 1 35 35 TYR N N 35 118.746 118.746 120.241 -1.495 18224 1960 1 6 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.272 -0.157 18224 1961 1 6 . 1 1 35 35 TYR C C 35 178.044 178.044 177.087 0.957 18224 1962 1 6 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.333 -0.575 18224 1963 1 6 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.046 -1.031 18224 1964 1 6 . 1 1 35 35 TYR H H 35 8.355 8.355 7.624 0.731 18224 1965 1 6 . 1 1 36 36 MET N N 36 117.813 117.813 117.018 0.795 18224 1966 1 6 . 1 1 36 36 MET HA H 36 4.281 4.281 4.460 -0.179 18224 1967 1 6 . 1 1 36 36 MET C C 36 178.139 178.139 177.808 0.331 18224 1968 1 6 . 1 1 36 36 MET CA C 36 58.482 58.482 57.967 0.515 18224 1969 1 6 . 1 1 36 36 MET CB C 36 31.716 31.716 32.764 -1.048 18224 1970 1 6 . 1 1 36 36 MET H H 36 8.107 8.107 7.709 0.398 18224 1971 1 6 . 1 1 37 37 LEU N N 37 120.311 120.311 118.648 1.663 18224 1972 1 6 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.242 -0.167 18224 1973 1 6 . 1 1 37 37 LEU C C 37 178.399 178.399 177.201 1.198 18224 1974 1 6 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.729 1.741 18224 1975 1 6 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.418 1.535 18224 1976 1 6 . 1 1 37 37 LEU H H 37 8.229 8.229 7.775 0.454 18224 1977 1 6 . 1 1 38 38 VAL N N 38 118.080 118.080 117.010 1.070 18224 1978 1 6 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.047 -0.522 18224 1979 1 6 . 1 1 38 38 VAL C C 38 178.139 178.139 176.467 1.672 18224 1980 1 6 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.085 4.067 18224 1981 1 6 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.484 -2.034 18224 1982 1 6 . 1 1 38 38 VAL H H 38 8.363 8.363 7.379 0.984 18224 1983 1 6 . 1 1 39 39 PHE N N 39 120.151 120.151 122.786 -2.635 18224 1984 1 6 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.426 -0.203 18224 1985 1 6 . 1 1 39 39 PHE C C 39 178.544 178.544 176.349 2.195 18224 1986 1 6 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.956 -0.630 18224 1987 1 6 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.431 -1.515 18224 1988 1 6 . 1 1 39 39 PHE H H 39 8.306 8.306 7.424 0.882 18224 1989 1 6 . 1 1 40 40 LEU N N 40 121.004 121.004 118.315 2.689 18224 1990 1 6 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.255 -0.232 18224 1991 1 6 . 1 1 40 40 LEU C C 40 179.704 179.704 178.303 1.401 18224 1992 1 6 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.912 0.026 18224 1993 1 6 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.138 1.154 18224 1994 1 6 . 1 1 40 40 LEU H H 40 8.567 8.567 7.754 0.813 18224 1995 1 6 . 1 1 41 41 LEU N N 41 119.593 119.593 118.801 0.792 18224 1996 1 6 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.119 -0.058 18224 1997 1 6 . 1 1 41 41 LEU C C 41 178.966 178.966 179.140 -0.174 18224 1998 1 6 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.502 1.194 18224 1999 1 6 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.834 -0.042 18224 2000 1 6 . 1 1 41 41 LEU H H 41 8.503 8.503 8.079 0.424 18224 2001 1 6 . 1 1 42 42 GLY N N 42 105.838 105.838 104.997 0.841 18224 2002 1 6 . 1 1 42 42 GLY C C 42 175.587 175.587 174.812 0.775 18224 2003 1 6 . 1 1 42 42 GLY CA C 42 46.570 46.570 46.636 -0.067 18224 2004 1 6 . 1 1 42 42 GLY H H 42 8.355 8.355 7.858 0.497 18224 2005 1 6 . 1 1 43 43 THR N N 43 112.333 112.333 110.674 1.659 18224 2006 1 6 . 1 1 43 43 THR HA H 43 4.290 4.290 4.408 -0.118 18224 2007 1 6 . 1 1 43 43 THR C C 43 175.765 175.765 174.190 1.575 18224 2008 1 6 . 1 1 43 43 THR CA C 43 63.680 63.680 60.941 2.739 18224 2009 1 6 . 1 1 43 43 THR CB C 43 69.626 69.626 68.770 0.855 18224 2010 1 6 . 1 1 43 43 THR H H 43 7.895 7.895 7.444 0.451 18224 2011 1 6 . 1 1 44 44 THR N N 44 112.041 112.041 116.854 -4.813 18224 2012 1 6 . 1 1 44 44 THR HA H 44 4.388 4.388 3.969 0.419 18224 2013 1 6 . 1 1 44 44 THR C C 44 175.555 175.555 175.211 0.344 18224 2014 1 6 . 1 1 44 44 THR CA C 44 62.732 62.732 66.315 -3.583 18224 2015 1 6 . 1 1 44 44 THR CB C 44 70.240 70.240 68.010 2.230 18224 2016 1 6 . 1 1 44 44 THR H H 44 7.684 7.684 8.573 -0.889 18224 2017 1 6 . 1 1 45 45 GLY N N 45 109.756 109.756 109.855 -0.099 18224 2018 1 6 . 1 1 45 45 GLY C C 45 174.948 174.948 172.928 2.020 18224 2019 1 6 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.046 1.306 18224 2020 1 6 . 1 1 45 45 GLY H H 45 8.058 8.058 8.482 -0.424 18224 2021 1 6 . 1 1 46 46 ASN N N 46 117.561 117.561 116.554 1.007 18224 2022 1 6 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.793 0.052 18224 2023 1 6 . 1 1 46 46 ASN C C 46 175.853 175.853 174.920 0.933 18224 2024 1 6 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.225 1.867 18224 2025 1 6 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.951 -0.438 18224 2026 1 6 . 1 1 46 46 ASN H H 46 8.202 8.202 7.337 0.865 18224 2027 1 6 . 1 1 47 47 GLY N N 47 108.715 108.715 113.599 -4.884 18224 2028 1 6 . 1 1 47 47 GLY C C 47 174.431 174.431 174.707 -0.276 18224 2029 1 6 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.372 1.789 18224 2030 1 6 . 1 1 47 47 GLY H H 47 8.600 8.600 8.552 0.048 18224 2031 1 6 . 1 1 48 48 LEU N N 48 120.089 120.089 124.889 -4.800 18224 2032 1 6 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.659 -0.340 18224 2033 1 6 . 1 1 48 48 LEU C C 48 179.243 179.243 178.190 1.053 18224 2034 1 6 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.714 1.603 18224 2035 1 6 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.550 -0.712 18224 2036 1 6 . 1 1 48 48 LEU H H 48 8.003 8.003 8.192 -0.189 18224 2037 1 6 . 1 1 49 49 VAL N N 49 120.573 120.573 117.802 2.771 18224 2038 1 6 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.754 0.067 18224 2039 1 6 . 1 1 49 49 VAL C C 49 177.520 177.520 176.861 0.659 18224 2040 1 6 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.337 0.725 18224 2041 1 6 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.668 -0.180 18224 2042 1 6 . 1 1 49 49 VAL H H 49 7.910 7.910 8.286 -0.376 18224 2043 1 6 . 1 1 50 50 LEU N N 50 119.718 119.718 116.881 2.837 18224 2044 1 6 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.370 -0.343 18224 2045 1 6 . 1 1 50 50 LEU C C 50 178.169 178.169 178.810 -0.641 18224 2046 1 6 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.248 1.804 18224 2047 1 6 . 1 1 50 50 LEU CB C 50 41.741 41.741 42.102 -0.361 18224 2048 1 6 . 1 1 50 50 LEU H H 50 7.860 7.860 7.617 0.243 18224 2049 1 6 . 1 1 51 51 TRP N N 51 118.071 118.071 121.747 -3.676 18224 2050 1 6 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.576 -0.034 18224 2051 1 6 . 1 1 51 51 TRP C C 51 177.296 177.296 176.323 0.973 18224 2052 1 6 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.643 0.275 18224 2053 1 6 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.573 1.401 18224 2054 1 6 . 1 1 51 51 TRP H H 51 8.109 8.109 7.941 0.168 18224 2055 1 6 . 1 1 52 52 THR N N 52 113.243 113.243 113.225 0.018 18224 2056 1 6 . 1 1 52 52 THR HA H 52 3.773 3.773 3.884 -0.111 18224 2057 1 6 . 1 1 52 52 THR C C 52 176.402 176.402 176.000 0.402 18224 2058 1 6 . 1 1 52 52 THR CA C 52 66.690 66.690 62.970 3.720 18224 2059 1 6 . 1 1 52 52 THR CB C 52 68.921 68.921 69.560 -0.639 18224 2060 1 6 . 1 1 52 52 THR H H 52 8.072 8.072 7.427 0.645 18224 2061 1 6 . 1 1 53 53 VAL N N 53 120.307 120.307 122.154 -1.847 18224 2062 1 6 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.773 -0.110 18224 2063 1 6 . 1 1 53 53 VAL C C 53 177.362 177.362 176.259 1.103 18224 2064 1 6 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.916 0.376 18224 2065 1 6 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.508 0.209 18224 2066 1 6 . 1 1 53 53 VAL H H 53 8.006 8.006 8.014 -0.008 18224 2067 1 6 . 1 1 54 54 PHE N N 54 119.041 119.041 114.353 4.688 18224 2068 1 6 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.550 -0.322 18224 2069 1 6 . 1 1 54 54 PHE C C 54 177.476 177.476 174.399 3.077 18224 2070 1 6 . 1 1 54 54 PHE CA C 54 60.892 60.892 57.271 3.621 18224 2071 1 6 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.976 -0.380 18224 2072 1 6 . 1 1 54 54 PHE H H 54 8.143 8.143 7.516 0.627 18224 2073 1 6 . 1 1 55 55 ARG N N 55 117.543 117.543 119.363 -1.820 18224 2074 1 6 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.546 0.317 18224 2075 1 6 . 1 1 55 55 ARG C C 55 177.832 177.832 177.966 -0.134 18224 2076 1 6 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.569 1.137 18224 2077 1 6 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.367 -0.891 18224 2078 1 6 . 1 1 55 55 ARG H H 55 8.112 8.112 6.872 1.240 18224 2079 1 6 . 1 1 56 56 LYS N N 56 118.390 118.390 120.059 -1.669 18224 2080 1 6 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.866 0.297 18224 2081 1 6 . 1 1 56 56 LYS C C 56 177.400 177.400 178.547 -1.147 18224 2082 1 6 . 1 1 56 56 LYS CA C 56 57.710 57.710 59.189 -1.479 18224 2083 1 6 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.086 0.693 18224 2084 1 6 . 1 1 56 56 LYS H H 56 7.789 7.789 7.902 -0.113 18224 2085 1 6 . 1 1 57 57 LYS N N 57 118.190 118.190 119.216 -1.026 18224 2086 1 6 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.049 0.210 18224 2087 1 6 . 1 1 57 57 LYS C C 57 176.791 176.791 175.690 1.101 18224 2088 1 6 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.843 0.582 18224 2089 1 6 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.461 2.362 18224 2090 1 6 . 1 1 57 57 LYS H H 57 7.821 7.821 8.142 -0.321 18224 2091 1 6 . 1 1 58 58 GLY N N 58 107.289 107.289 107.368 -0.079 18224 2092 1 6 . 1 1 58 58 GLY C C 58 173.607 173.607 174.351 -0.744 18224 2093 1 6 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.356 1.118 18224 2094 1 6 . 1 1 58 58 GLY H H 58 7.927 7.927 7.780 0.147 18224 2095 1 6 . 1 1 59 59 HIS N N 59 116.847 116.847 121.196 -4.349 18224 2096 1 6 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.168 0.525 18224 2097 1 6 . 1 1 59 59 HIS C C 59 174.153 174.153 176.829 -2.676 18224 2098 1 6 . 1 1 59 59 HIS CA C 59 55.158 55.158 58.246 -3.088 18224 2099 1 6 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.896 -0.981 18224 2100 1 6 . 1 1 59 59 HIS H H 59 8.120 8.120 7.694 0.426 18224 2101 1 6 . 1 1 60 60 HIS N N 60 118.028 118.028 117.452 0.576 18224 2102 1 6 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.345 0.347 18224 2103 1 6 . 1 1 60 60 HIS C C 60 173.987 173.987 176.719 -2.732 18224 2104 1 6 . 1 1 60 60 HIS CA C 60 55.508 55.508 58.585 -3.077 18224 2105 1 6 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.361 -0.536 18224 2106 1 6 . 1 1 60 60 HIS H H 60 8.328 8.328 8.750 -0.422 18224 2107 1 6 . 1 1 61 61 HIS N N 61 118.101 118.101 118.011 0.090 18224 2108 1 6 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.502 0.188 18224 2109 1 6 . 1 1 61 61 HIS C C 61 174.032 174.032 175.425 -1.393 18224 2110 1 6 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.363 -0.645 18224 2111 1 6 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.384 -1.489 18224 2112 1 6 . 1 1 61 61 HIS H H 61 8.351 8.351 8.309 0.042 18224 2113 1 6 . 1 1 62 62 HIS N N 62 118.704 118.704 118.458 0.246 18224 2114 1 6 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.251 0.450 18224 2115 1 6 . 1 1 62 62 HIS C C 62 173.803 173.803 174.220 -0.417 18224 2116 1 6 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.641 -0.037 18224 2117 1 6 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.559 -0.396 18224 2118 1 6 . 1 1 62 62 HIS H H 62 8.381 8.381 8.493 -0.112 18224 2119 1 6 . 1 1 63 63 HIS N N 63 118.853 118.853 122.066 -3.213 18224 2120 1 6 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.229 0.452 18224 2121 1 6 . 1 1 63 63 HIS C C 63 173.576 173.576 174.751 -1.175 18224 2122 1 6 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.033 -0.335 18224 2123 1 6 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.999 -0.866 18224 2124 1 6 . 1 1 63 63 HIS H H 63 8.299 8.299 8.274 0.025 18224 2125 1 7 . 1 1 2 2 GLU N N 2 122.762 122.762 121.284 1.478 18224 2126 1 7 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.657 -0.219 18224 2127 1 7 . 1 1 2 2 GLU C C 2 175.581 175.581 175.249 0.332 18224 2128 1 7 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.536 -0.176 18224 2129 1 7 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.938 -0.356 18224 2130 1 7 . 1 1 2 2 GLU H H 2 8.628 8.628 8.540 0.088 18224 2131 1 7 . 1 1 3 3 GLU N N 3 121.071 121.071 123.368 -2.297 18224 2132 1 7 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.524 -0.143 18224 2133 1 7 . 1 1 3 3 GLU C C 3 176.457 176.457 176.307 0.150 18224 2134 1 7 . 1 1 3 3 GLU CA C 3 56.348 56.348 57.151 -0.804 18224 2135 1 7 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.101 -0.902 18224 2136 1 7 . 1 1 3 3 GLU H H 3 8.393 8.393 8.675 -0.282 18224 2137 1 7 . 1 1 4 4 GLY N N 4 109.717 109.717 111.649 -1.932 18224 2138 1 7 . 1 1 4 4 GLY C C 4 174.677 174.677 174.372 0.305 18224 2139 1 7 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.788 0.853 18224 2140 1 7 . 1 1 4 4 GLY H H 4 8.377 8.377 8.729 -0.352 18224 2141 1 7 . 1 1 5 5 GLY N N 5 108.373 108.373 108.711 -0.338 18224 2142 1 7 . 1 1 5 5 GLY C C 5 174.047 174.047 172.682 1.365 18224 2143 1 7 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.632 0.940 18224 2144 1 7 . 1 1 5 5 GLY H H 5 8.115 8.115 7.931 0.184 18224 2145 1 7 . 1 1 6 6 ASP N N 6 118.996 118.996 120.440 -1.444 18224 2146 1 7 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.839 -0.190 18224 2147 1 7 . 1 1 6 6 ASP C C 6 175.903 175.903 175.137 0.766 18224 2148 1 7 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.195 -0.150 18224 2149 1 7 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.977 -1.633 18224 2150 1 7 . 1 1 6 6 ASP H H 6 8.166 8.166 8.472 -0.306 18224 2151 1 7 . 1 1 7 7 PHE N N 7 119.750 119.750 122.119 -2.369 18224 2152 1 7 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.585 -0.035 18224 2153 1 7 . 1 1 7 7 PHE C C 7 175.919 175.919 174.606 1.313 18224 2154 1 7 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.609 1.323 18224 2155 1 7 . 1 1 7 7 PHE CB C 7 39.180 39.180 38.949 0.231 18224 2156 1 7 . 1 1 7 7 PHE H H 7 8.151 8.151 8.453 -0.302 18224 2157 1 7 . 1 1 8 8 ASP N N 8 118.526 118.526 123.270 -4.744 18224 2158 1 7 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.838 -0.340 18224 2159 1 7 . 1 1 8 8 ASP C C 8 175.787 175.787 175.229 0.558 18224 2160 1 7 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.023 0.612 18224 2161 1 7 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.376 -2.173 18224 2162 1 7 . 1 1 8 8 ASP H H 8 8.161 8.161 8.484 -0.323 18224 2163 1 7 . 1 1 9 9 ASN N N 9 117.291 117.291 118.185 -0.894 18224 2164 1 7 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.792 -0.221 18224 2165 1 7 . 1 1 9 9 ASN C C 9 175.142 175.142 174.001 1.141 18224 2166 1 7 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.622 1.312 18224 2167 1 7 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.405 0.387 18224 2168 1 7 . 1 1 9 9 ASN H H 9 8.013 8.013 7.791 0.222 18224 2169 1 7 . 1 1 10 10 TYR N N 10 119.112 119.112 121.358 -2.246 18224 2170 1 7 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.362 0.084 18224 2171 1 7 . 1 1 10 10 TYR C C 10 175.513 175.513 176.820 -1.307 18224 2172 1 7 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.899 1.075 18224 2173 1 7 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.730 0.153 18224 2174 1 7 . 1 1 10 10 TYR H H 10 7.848 7.848 7.810 0.038 18224 2175 1 7 . 1 1 11 11 TYR N N 11 119.438 119.438 121.518 -2.080 18224 2176 1 7 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.414 0.093 18224 2177 1 7 . 1 1 11 11 TYR C C 11 175.939 175.939 176.198 -0.259 18224 2178 1 7 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.310 0.987 18224 2179 1 7 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.240 -0.273 18224 2180 1 7 . 1 1 11 11 TYR H H 11 7.849 7.849 8.619 -0.770 18224 2181 1 7 . 1 1 12 12 GLY N N 12 109.685 109.685 108.237 1.448 18224 2182 1 7 . 1 1 12 12 GLY C C 12 174.099 174.099 173.430 0.669 18224 2183 1 7 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.312 1.232 18224 2184 1 7 . 1 1 12 12 GLY H H 12 7.792 7.792 8.437 -0.645 18224 2185 1 7 . 1 1 13 13 ALA N N 13 123.072 123.072 127.882 -4.810 18224 2186 1 7 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.524 -0.249 18224 2187 1 7 . 1 1 13 13 ALA C C 13 177.669 177.669 177.121 0.548 18224 2188 1 7 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.599 1.371 18224 2189 1 7 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.695 0.595 18224 2190 1 7 . 1 1 13 13 ALA H H 13 7.880 7.880 8.374 -0.494 18224 2191 1 7 . 1 1 14 14 ASP N N 14 117.540 117.540 119.266 -1.726 18224 2192 1 7 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.633 0.016 18224 2193 1 7 . 1 1 14 14 ASP C C 14 175.649 175.649 175.156 0.493 18224 2194 1 7 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.897 0.067 18224 2195 1 7 . 1 1 14 14 ASP CB C 14 39.683 39.683 38.709 0.974 18224 2196 1 7 . 1 1 14 14 ASP H H 14 8.281 8.281 7.871 0.410 18224 2197 1 7 . 1 1 15 15 ASN N N 15 118.400 118.400 120.201 -1.801 18224 2198 1 7 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.722 -0.036 18224 2199 1 7 . 1 1 15 15 ASN C C 15 175.351 175.351 175.433 -0.082 18224 2200 1 7 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.986 -0.378 18224 2201 1 7 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.843 -0.900 18224 2202 1 7 . 1 1 15 15 ASN H H 15 8.137 8.137 7.754 0.383 18224 2203 1 7 . 1 1 16 16 GLN N N 16 120.072 120.072 119.508 0.564 18224 2204 1 7 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.141 0.219 18224 2205 1 7 . 1 1 16 16 GLN C C 16 176.206 176.206 175.820 0.386 18224 2206 1 7 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.898 -0.496 18224 2207 1 7 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.035 1.135 18224 2208 1 7 . 1 1 16 16 GLN H H 16 8.284 8.284 8.451 -0.167 18224 2209 1 7 . 1 1 17 17 SER N N 17 116.112 116.112 116.712 -0.600 18224 2210 1 7 . 1 1 17 17 SER HA H 17 4.440 4.440 4.470 -0.030 18224 2211 1 7 . 1 1 17 17 SER C C 17 174.568 174.568 174.628 -0.060 18224 2212 1 7 . 1 1 17 17 SER CA C 17 58.911 58.911 58.085 0.826 18224 2213 1 7 . 1 1 17 17 SER CB C 17 63.897 63.897 63.684 0.213 18224 2214 1 7 . 1 1 17 17 SER H H 17 8.211 8.211 8.032 0.179 18224 2215 1 7 . 1 1 18 18 GLU N N 18 121.378 121.378 130.258 -8.880 18224 2216 1 7 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.313 0.066 18224 2217 1 7 . 1 1 18 18 GLU C C 18 175.934 175.934 176.385 -0.451 18224 2218 1 7 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.664 0.742 18224 2219 1 7 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.167 0.966 18224 2220 1 7 . 1 1 18 18 GLU H H 18 8.262 8.262 9.008 -0.746 18224 2221 1 7 . 1 1 19 19 CYS N N 19 119.418 119.418 119.978 -0.560 18224 2222 1 7 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.015 0.429 18224 2223 1 7 . 1 1 19 19 CYS C C 19 174.568 174.568 174.219 0.349 18224 2224 1 7 . 1 1 19 19 CYS CA C 19 58.839 58.839 61.502 -2.663 18224 2225 1 7 . 1 1 19 19 CYS CB C 19 27.973 27.973 27.969 0.004 18224 2226 1 7 . 1 1 19 19 CYS H H 19 8.182 8.182 8.628 -0.446 18224 2227 1 7 . 1 1 20 20 GLU N N 20 122.737 122.737 119.743 2.994 18224 2228 1 7 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.227 0.080 18224 2229 1 7 . 1 1 20 20 GLU C C 20 176.083 176.083 176.006 0.077 18224 2230 1 7 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.247 0.293 18224 2231 1 7 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.821 -0.955 18224 2232 1 7 . 1 1 20 20 GLU H H 20 8.303 8.303 8.673 -0.370 18224 2233 1 7 . 1 1 21 21 TYR N N 21 119.549 119.549 114.595 4.954 18224 2234 1 7 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.206 0.268 18224 2235 1 7 . 1 1 21 21 TYR C C 21 175.826 175.826 174.985 0.841 18224 2236 1 7 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.861 -0.190 18224 2237 1 7 . 1 1 21 21 TYR CB C 21 38.589 38.589 35.261 3.328 18224 2238 1 7 . 1 1 21 21 TYR H H 21 7.888 7.888 7.935 -0.047 18224 2239 1 7 . 1 1 22 22 THR N N 22 112.218 112.218 112.413 -0.195 18224 2240 1 7 . 1 1 22 22 THR HA H 22 4.163 4.163 4.535 -0.372 18224 2241 1 7 . 1 1 22 22 THR C C 22 174.737 174.737 174.496 0.241 18224 2242 1 7 . 1 1 22 22 THR CA C 22 62.778 62.778 63.807 -1.029 18224 2243 1 7 . 1 1 22 22 THR CB C 22 69.531 69.531 69.096 0.435 18224 2244 1 7 . 1 1 22 22 THR H H 22 7.683 7.683 7.652 0.031 18224 2245 1 7 . 1 1 23 23 ASP N N 23 121.090 121.090 118.974 2.116 18224 2246 1 7 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.624 0.087 18224 2247 1 7 . 1 1 23 23 ASP C C 23 176.279 176.279 177.515 -1.236 18224 2248 1 7 . 1 1 23 23 ASP CA C 23 54.110 54.110 54.295 -0.185 18224 2249 1 7 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.238 -0.900 18224 2250 1 7 . 1 1 23 23 ASP H H 23 8.059 8.059 8.440 -0.381 18224 2251 1 7 . 1 1 24 24 TRP N N 24 121.546 121.546 119.785 1.761 18224 2252 1 7 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.329 0.157 18224 2253 1 7 . 1 1 24 24 TRP C C 24 177.051 177.051 175.679 1.372 18224 2254 1 7 . 1 1 24 24 TRP CA C 24 58.828 58.828 59.288 -0.460 18224 2255 1 7 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.204 0.864 18224 2256 1 7 . 1 1 24 24 TRP H H 24 7.888 7.888 8.556 -0.668 18224 2257 1 7 . 1 1 25 25 LYS N N 25 120.106 120.106 115.882 4.224 18224 2258 1 7 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.037 -0.047 18224 2259 1 7 . 1 1 25 25 LYS C C 25 176.764 176.764 176.914 -0.150 18224 2260 1 7 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.160 1.562 18224 2261 1 7 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.841 0.460 18224 2262 1 7 . 1 1 25 25 LYS H H 25 7.620 7.620 7.100 0.520 18224 2263 1 7 . 1 1 26 26 SER N N 26 114.114 114.114 116.334 -2.220 18224 2264 1 7 . 1 1 26 26 SER HA H 26 4.471 4.471 4.342 0.129 18224 2265 1 7 . 1 1 26 26 SER C C 26 175.124 175.124 173.749 1.375 18224 2266 1 7 . 1 1 26 26 SER CA C 26 58.757 58.757 58.109 0.648 18224 2267 1 7 . 1 1 26 26 SER CB C 26 63.812 63.812 62.738 1.074 18224 2268 1 7 . 1 1 26 26 SER H H 26 7.796 7.796 7.698 0.098 18224 2269 1 7 . 1 1 27 27 SER N N 27 116.655 116.655 113.694 2.961 18224 2270 1 7 . 1 1 27 27 SER HA H 27 4.386 4.386 4.217 0.169 18224 2271 1 7 . 1 1 27 27 SER C C 27 175.505 175.505 175.155 0.350 18224 2272 1 7 . 1 1 27 27 SER CA C 27 59.611 59.611 58.876 0.735 18224 2273 1 7 . 1 1 27 27 SER CB C 27 64.117 64.117 62.215 1.902 18224 2274 1 7 . 1 1 27 27 SER H H 27 8.046 8.046 8.017 0.029 18224 2275 1 7 . 1 1 28 28 GLY N N 28 111.049 111.049 107.972 3.077 18224 2276 1 7 . 1 1 28 28 GLY C C 28 174.495 174.495 173.931 0.564 18224 2277 1 7 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.044 0.077 18224 2278 1 7 . 1 1 28 28 GLY H H 28 8.304 8.304 8.284 0.020 18224 2279 1 7 . 1 1 29 29 ALA N N 29 121.693 121.693 118.323 3.370 18224 2280 1 7 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.943 0.406 18224 2281 1 7 . 1 1 29 29 ALA C C 29 177.695 177.695 177.216 0.479 18224 2282 1 7 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.772 0.339 18224 2283 1 7 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.412 1.552 18224 2284 1 7 . 1 1 29 29 ALA H H 29 7.941 7.941 7.265 0.676 18224 2285 1 7 . 1 1 30 30 LEU N N 30 117.996 117.996 125.537 -7.541 18224 2286 1 7 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.050 0.132 18224 2287 1 7 . 1 1 30 30 LEU C C 30 177.484 177.484 178.798 -1.314 18224 2288 1 7 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.421 0.549 18224 2289 1 7 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.992 0.430 18224 2290 1 7 . 1 1 30 30 LEU H H 30 7.968 7.968 8.471 -0.503 18224 2291 1 7 . 1 1 31 31 ILE N N 31 117.106 117.106 117.299 -0.193 18224 2292 1 7 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.264 -0.325 18224 2293 1 7 . 1 1 31 31 ILE C C 31 174.998 174.998 175.650 -0.652 18224 2294 1 7 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.349 1.573 18224 2295 1 7 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.421 -0.313 18224 2296 1 7 . 1 1 31 31 ILE H H 31 8.027 8.027 8.125 -0.098 18224 2297 1 7 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.268 0.016 18224 2298 1 7 . 1 1 32 32 PRO C C 32 178.663 178.663 177.920 0.743 18224 2299 1 7 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.974 0.019 18224 2300 1 7 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.728 0.328 18224 2301 1 7 . 1 1 33 33 ALA N N 33 119.031 119.031 117.947 1.084 18224 2302 1 7 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.067 0.099 18224 2303 1 7 . 1 1 33 33 ALA C C 33 178.942 178.942 179.190 -0.248 18224 2304 1 7 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.525 1.015 18224 2305 1 7 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.364 0.121 18224 2306 1 7 . 1 1 33 33 ALA H H 33 7.580 7.580 8.368 -0.788 18224 2307 1 7 . 1 1 34 34 ILE N N 34 117.923 117.923 117.962 -0.039 18224 2308 1 7 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.801 -0.102 18224 2309 1 7 . 1 1 34 34 ILE C C 34 177.833 177.833 177.367 0.466 18224 2310 1 7 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.264 0.848 18224 2311 1 7 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.054 -0.703 18224 2312 1 7 . 1 1 34 34 ILE H H 34 8.234 8.234 7.547 0.687 18224 2313 1 7 . 1 1 35 35 TYR N N 35 118.746 118.746 120.710 -1.964 18224 2314 1 7 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.078 0.037 18224 2315 1 7 . 1 1 35 35 TYR C C 35 178.044 178.044 177.437 0.607 18224 2316 1 7 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.255 -0.497 18224 2317 1 7 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.591 -0.576 18224 2318 1 7 . 1 1 35 35 TYR H H 35 8.355 8.355 7.743 0.612 18224 2319 1 7 . 1 1 36 36 MET N N 36 117.813 117.813 116.535 1.278 18224 2320 1 7 . 1 1 36 36 MET HA H 36 4.281 4.281 4.445 -0.164 18224 2321 1 7 . 1 1 36 36 MET C C 36 178.139 178.139 178.026 0.113 18224 2322 1 7 . 1 1 36 36 MET CA C 36 58.482 58.482 58.105 0.377 18224 2323 1 7 . 1 1 36 36 MET CB C 36 31.716 31.716 33.333 -1.617 18224 2324 1 7 . 1 1 36 36 MET H H 36 8.107 8.107 7.950 0.157 18224 2325 1 7 . 1 1 37 37 LEU N N 37 120.311 120.311 121.549 -1.238 18224 2326 1 7 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.146 -0.071 18224 2327 1 7 . 1 1 37 37 LEU C C 37 178.399 178.399 177.371 1.028 18224 2328 1 7 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.582 0.888 18224 2329 1 7 . 1 1 37 37 LEU CB C 37 41.953 41.953 42.034 -0.081 18224 2330 1 7 . 1 1 37 37 LEU H H 37 8.229 8.229 7.601 0.628 18224 2331 1 7 . 1 1 38 38 VAL N N 38 118.080 118.080 116.071 2.009 18224 2332 1 7 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.092 -0.567 18224 2333 1 7 . 1 1 38 38 VAL C C 38 178.139 178.139 175.702 2.437 18224 2334 1 7 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.720 3.432 18224 2335 1 7 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.974 -0.524 18224 2336 1 7 . 1 1 38 38 VAL H H 38 8.363 8.363 7.549 0.814 18224 2337 1 7 . 1 1 39 39 PHE N N 39 120.151 120.151 120.904 -0.753 18224 2338 1 7 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.799 -0.576 18224 2339 1 7 . 1 1 39 39 PHE C C 39 178.544 178.544 173.923 4.621 18224 2340 1 7 . 1 1 39 39 PHE CA C 39 61.326 61.326 57.937 3.389 18224 2341 1 7 . 1 1 39 39 PHE CB C 39 38.916 38.916 42.126 -3.210 18224 2342 1 7 . 1 1 39 39 PHE H H 39 8.306 8.306 8.316 -0.010 18224 2343 1 7 . 1 1 40 40 LEU N N 40 121.004 121.004 115.165 5.839 18224 2344 1 7 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.680 -0.657 18224 2345 1 7 . 1 1 40 40 LEU C C 40 179.704 179.704 177.134 2.570 18224 2346 1 7 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.418 2.520 18224 2347 1 7 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.539 -0.247 18224 2348 1 7 . 1 1 40 40 LEU H H 40 8.567 8.567 7.429 1.137 18224 2349 1 7 . 1 1 41 41 LEU N N 41 119.593 119.593 121.520 -1.927 18224 2350 1 7 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.025 0.036 18224 2351 1 7 . 1 1 41 41 LEU C C 41 178.966 178.966 177.464 1.502 18224 2352 1 7 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.441 0.255 18224 2353 1 7 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.783 0.009 18224 2354 1 7 . 1 1 41 41 LEU H H 41 8.503 8.503 7.845 0.658 18224 2355 1 7 . 1 1 42 42 GLY N N 42 105.838 105.838 102.536 3.302 18224 2356 1 7 . 1 1 42 42 GLY C C 42 175.587 175.587 174.311 1.276 18224 2357 1 7 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.416 1.154 18224 2358 1 7 . 1 1 42 42 GLY H H 42 8.355 8.355 7.741 0.614 18224 2359 1 7 . 1 1 43 43 THR N N 43 112.333 112.333 114.197 -1.864 18224 2360 1 7 . 1 1 43 43 THR HA H 43 4.290 4.290 4.527 -0.237 18224 2361 1 7 . 1 1 43 43 THR C C 43 175.765 175.765 175.397 0.368 18224 2362 1 7 . 1 1 43 43 THR CA C 43 63.680 63.680 61.858 1.821 18224 2363 1 7 . 1 1 43 43 THR CB C 43 69.626 69.626 69.807 -0.181 18224 2364 1 7 . 1 1 43 43 THR H H 43 7.895 7.895 7.782 0.113 18224 2365 1 7 . 1 1 44 44 THR N N 44 112.041 112.041 115.669 -3.628 18224 2366 1 7 . 1 1 44 44 THR HA H 44 4.388 4.388 4.176 0.212 18224 2367 1 7 . 1 1 44 44 THR C C 44 175.555 175.555 175.509 0.046 18224 2368 1 7 . 1 1 44 44 THR CA C 44 62.732 62.732 63.339 -0.607 18224 2369 1 7 . 1 1 44 44 THR CB C 44 70.240 70.240 69.401 0.839 18224 2370 1 7 . 1 1 44 44 THR H H 44 7.684 7.684 7.847 -0.163 18224 2371 1 7 . 1 1 45 45 GLY N N 45 109.756 109.756 110.355 -0.599 18224 2372 1 7 . 1 1 45 45 GLY C C 45 174.948 174.948 173.284 1.664 18224 2373 1 7 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.898 1.454 18224 2374 1 7 . 1 1 45 45 GLY H H 45 8.058 8.058 8.093 -0.035 18224 2375 1 7 . 1 1 46 46 ASN N N 46 117.561 117.561 119.102 -1.541 18224 2376 1 7 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.481 0.364 18224 2377 1 7 . 1 1 46 46 ASN C C 46 175.853 175.853 174.947 0.906 18224 2378 1 7 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.420 0.672 18224 2379 1 7 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.771 1.742 18224 2380 1 7 . 1 1 46 46 ASN H H 46 8.202 8.202 8.137 0.065 18224 2381 1 7 . 1 1 47 47 GLY N N 47 108.715 108.715 107.925 0.790 18224 2382 1 7 . 1 1 47 47 GLY C C 47 174.431 174.431 173.973 0.458 18224 2383 1 7 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.797 1.364 18224 2384 1 7 . 1 1 47 47 GLY H H 47 8.600 8.600 8.529 0.071 18224 2385 1 7 . 1 1 48 48 LEU N N 48 120.089 120.089 121.664 -1.575 18224 2386 1 7 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.888 -0.569 18224 2387 1 7 . 1 1 48 48 LEU C C 48 179.243 179.243 176.353 2.890 18224 2388 1 7 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.380 1.936 18224 2389 1 7 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.922 -1.085 18224 2390 1 7 . 1 1 48 48 LEU H H 48 8.003 8.003 7.859 0.144 18224 2391 1 7 . 1 1 49 49 VAL N N 49 120.573 120.573 120.457 0.116 18224 2392 1 7 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.081 -0.260 18224 2393 1 7 . 1 1 49 49 VAL C C 49 177.520 177.520 177.054 0.466 18224 2394 1 7 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.311 1.751 18224 2395 1 7 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.358 0.130 18224 2396 1 7 . 1 1 49 49 VAL H H 49 7.910 7.910 8.032 -0.122 18224 2397 1 7 . 1 1 50 50 LEU N N 50 119.718 119.718 119.227 0.491 18224 2398 1 7 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.447 -0.420 18224 2399 1 7 . 1 1 50 50 LEU C C 50 178.169 178.169 178.786 -0.617 18224 2400 1 7 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.035 1.016 18224 2401 1 7 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.908 0.833 18224 2402 1 7 . 1 1 50 50 LEU H H 50 7.860 7.860 8.082 -0.222 18224 2403 1 7 . 1 1 51 51 TRP N N 51 118.071 118.071 121.899 -3.828 18224 2404 1 7 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.622 -0.080 18224 2405 1 7 . 1 1 51 51 TRP C C 51 177.296 177.296 177.359 -0.063 18224 2406 1 7 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.580 -0.662 18224 2407 1 7 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.373 0.602 18224 2408 1 7 . 1 1 51 51 TRP H H 51 8.109 8.109 8.292 -0.183 18224 2409 1 7 . 1 1 52 52 THR N N 52 113.243 113.243 116.427 -3.184 18224 2410 1 7 . 1 1 52 52 THR HA H 52 3.773 3.773 3.826 -0.053 18224 2411 1 7 . 1 1 52 52 THR C C 52 176.402 176.402 176.656 -0.254 18224 2412 1 7 . 1 1 52 52 THR CA C 52 66.690 66.690 67.456 -0.766 18224 2413 1 7 . 1 1 52 52 THR CB C 52 68.921 68.921 68.809 0.112 18224 2414 1 7 . 1 1 52 52 THR H H 52 8.072 8.072 7.741 0.331 18224 2415 1 7 . 1 1 53 53 VAL N N 53 120.307 120.307 120.417 -0.110 18224 2416 1 7 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.723 -0.060 18224 2417 1 7 . 1 1 53 53 VAL C C 53 177.362 177.362 177.536 -0.174 18224 2418 1 7 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.046 0.246 18224 2419 1 7 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.766 -0.049 18224 2420 1 7 . 1 1 53 53 VAL H H 53 8.006 8.006 7.445 0.561 18224 2421 1 7 . 1 1 54 54 PHE N N 54 119.041 119.041 118.465 0.576 18224 2422 1 7 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.331 -0.103 18224 2423 1 7 . 1 1 54 54 PHE C C 54 177.476 177.476 175.445 2.031 18224 2424 1 7 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.877 2.015 18224 2425 1 7 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.344 -0.748 18224 2426 1 7 . 1 1 54 54 PHE H H 54 8.143 8.143 7.803 0.340 18224 2427 1 7 . 1 1 55 55 ARG N N 55 117.543 117.543 119.349 -1.806 18224 2428 1 7 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.629 0.234 18224 2429 1 7 . 1 1 55 55 ARG C C 55 177.832 177.832 177.246 0.586 18224 2430 1 7 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.080 0.626 18224 2431 1 7 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.831 -0.355 18224 2432 1 7 . 1 1 55 55 ARG H H 55 8.112 8.112 7.304 0.808 18224 2433 1 7 . 1 1 56 56 LYS N N 56 118.390 118.390 116.626 1.764 18224 2434 1 7 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.973 0.190 18224 2435 1 7 . 1 1 56 56 LYS C C 56 177.400 177.400 178.405 -1.005 18224 2436 1 7 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.850 -1.140 18224 2437 1 7 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.879 0.900 18224 2438 1 7 . 1 1 56 56 LYS H H 56 7.789 7.789 7.428 0.361 18224 2439 1 7 . 1 1 57 57 LYS N N 57 118.190 118.190 121.829 -3.639 18224 2440 1 7 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.167 0.092 18224 2441 1 7 . 1 1 57 57 LYS C C 57 176.791 176.791 176.700 0.091 18224 2442 1 7 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.951 0.474 18224 2443 1 7 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.957 1.866 18224 2444 1 7 . 1 1 57 57 LYS H H 57 7.821 7.821 7.360 0.461 18224 2445 1 7 . 1 1 58 58 GLY N N 58 107.289 107.289 110.683 -3.394 18224 2446 1 7 . 1 1 58 58 GLY C C 58 173.607 173.607 174.901 -1.294 18224 2447 1 7 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.963 0.511 18224 2448 1 7 . 1 1 58 58 GLY H H 58 7.927 7.927 8.064 -0.137 18224 2449 1 7 . 1 1 59 59 HIS N N 59 116.847 116.847 117.552 -0.705 18224 2450 1 7 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.466 0.227 18224 2451 1 7 . 1 1 59 59 HIS C C 59 174.153 174.153 175.963 -1.810 18224 2452 1 7 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.137 -0.979 18224 2453 1 7 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.320 -1.405 18224 2454 1 7 . 1 1 59 59 HIS H H 59 8.120 8.120 7.991 0.129 18224 2455 1 7 . 1 1 60 60 HIS N N 60 118.028 118.028 118.434 -0.406 18224 2456 1 7 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.573 0.119 18224 2457 1 7 . 1 1 60 60 HIS C C 60 173.987 173.987 175.017 -1.030 18224 2458 1 7 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.363 -0.855 18224 2459 1 7 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.361 -1.536 18224 2460 1 7 . 1 1 60 60 HIS H H 60 8.328 8.328 8.308 0.020 18224 2461 1 7 . 1 1 61 61 HIS N N 61 118.101 118.101 117.986 0.115 18224 2462 1 7 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.785 -0.095 18224 2463 1 7 . 1 1 61 61 HIS C C 61 174.032 174.032 175.164 -1.132 18224 2464 1 7 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.537 0.181 18224 2465 1 7 . 1 1 61 61 HIS CB C 61 28.895 28.895 31.884 -2.989 18224 2466 1 7 . 1 1 61 61 HIS H H 61 8.351 8.351 8.609 -0.258 18224 2467 1 7 . 1 1 62 62 HIS N N 62 118.704 118.704 116.162 2.542 18224 2468 1 7 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.182 0.519 18224 2469 1 7 . 1 1 62 62 HIS C C 62 173.803 173.803 174.210 -0.407 18224 2470 1 7 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.460 -0.856 18224 2471 1 7 . 1 1 62 62 HIS CB C 62 29.163 29.163 28.892 0.271 18224 2472 1 7 . 1 1 62 62 HIS H H 62 8.381 8.381 8.640 -0.259 18224 2473 1 7 . 1 1 63 63 HIS N N 63 118.853 118.853 121.936 -3.083 18224 2474 1 7 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.092 0.589 18224 2475 1 7 . 1 1 63 63 HIS C C 63 173.576 173.576 174.959 -1.383 18224 2476 1 7 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.948 -0.250 18224 2477 1 7 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.053 -0.920 18224 2478 1 7 . 1 1 63 63 HIS H H 63 8.299 8.299 8.708 -0.409 18224 2479 1 8 . 1 1 2 2 GLU N N 2 122.762 122.762 122.599 0.163 18224 2480 1 8 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.159 0.279 18224 2481 1 8 . 1 1 2 2 GLU C C 2 175.581 175.581 175.975 -0.394 18224 2482 1 8 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.907 -0.547 18224 2483 1 8 . 1 1 2 2 GLU CB C 2 29.582 29.582 28.664 0.918 18224 2484 1 8 . 1 1 2 2 GLU H H 2 8.628 8.628 8.588 0.040 18224 2485 1 8 . 1 1 3 3 GLU N N 3 121.071 121.071 123.858 -2.787 18224 2486 1 8 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.284 0.097 18224 2487 1 8 . 1 1 3 3 GLU C C 3 176.457 176.457 176.351 0.106 18224 2488 1 8 . 1 1 3 3 GLU CA C 3 56.348 56.348 55.916 0.432 18224 2489 1 8 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.573 0.626 18224 2490 1 8 . 1 1 3 3 GLU H H 3 8.393 8.393 8.676 -0.283 18224 2491 1 8 . 1 1 4 4 GLY N N 4 109.717 109.717 111.467 -1.750 18224 2492 1 8 . 1 1 4 4 GLY C C 4 174.677 174.677 174.442 0.235 18224 2493 1 8 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.215 0.426 18224 2494 1 8 . 1 1 4 4 GLY H H 4 8.377 8.377 7.869 0.508 18224 2495 1 8 . 1 1 5 5 GLY N N 5 108.373 108.373 111.036 -2.663 18224 2496 1 8 . 1 1 5 5 GLY C C 5 174.047 174.047 174.216 -0.169 18224 2497 1 8 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.680 -0.108 18224 2498 1 8 . 1 1 5 5 GLY H H 5 8.115 8.115 8.124 -0.009 18224 2499 1 8 . 1 1 6 6 ASP N N 6 118.996 118.996 121.219 -2.223 18224 2500 1 8 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.328 0.321 18224 2501 1 8 . 1 1 6 6 ASP C C 6 175.903 175.903 174.395 1.508 18224 2502 1 8 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.650 -0.605 18224 2503 1 8 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.292 -0.948 18224 2504 1 8 . 1 1 6 6 ASP H H 6 8.166 8.166 8.439 -0.273 18224 2505 1 8 . 1 1 7 7 PHE N N 7 119.750 119.750 121.061 -1.311 18224 2506 1 8 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.465 0.085 18224 2507 1 8 . 1 1 7 7 PHE C C 7 175.919 175.919 175.875 0.044 18224 2508 1 8 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.842 0.090 18224 2509 1 8 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.944 -0.764 18224 2510 1 8 . 1 1 7 7 PHE H H 7 8.151 8.151 8.346 -0.195 18224 2511 1 8 . 1 1 8 8 ASP N N 8 118.526 118.526 124.055 -5.529 18224 2512 1 8 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.711 -0.213 18224 2513 1 8 . 1 1 8 8 ASP C C 8 175.787 175.787 175.225 0.562 18224 2514 1 8 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.110 -0.475 18224 2515 1 8 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.017 -1.814 18224 2516 1 8 . 1 1 8 8 ASP H H 8 8.161 8.161 8.501 -0.340 18224 2517 1 8 . 1 1 9 9 ASN N N 9 117.291 117.291 118.610 -1.319 18224 2518 1 8 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.829 -0.258 18224 2519 1 8 . 1 1 9 9 ASN C C 9 175.142 175.142 174.300 0.842 18224 2520 1 8 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.408 0.526 18224 2521 1 8 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.802 -0.010 18224 2522 1 8 . 1 1 9 9 ASN H H 9 8.013 8.013 8.008 0.005 18224 2523 1 8 . 1 1 10 10 TYR N N 10 119.112 119.112 122.264 -3.152 18224 2524 1 8 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.327 0.119 18224 2525 1 8 . 1 1 10 10 TYR C C 10 175.513 175.513 176.316 -0.803 18224 2526 1 8 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.553 0.421 18224 2527 1 8 . 1 1 10 10 TYR CB C 10 38.883 38.883 36.102 2.781 18224 2528 1 8 . 1 1 10 10 TYR H H 10 7.848 7.848 8.235 -0.387 18224 2529 1 8 . 1 1 11 11 TYR N N 11 119.438 119.438 122.563 -3.125 18224 2530 1 8 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.506 0.001 18224 2531 1 8 . 1 1 11 11 TYR C C 11 175.939 175.939 175.426 0.513 18224 2532 1 8 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.522 0.775 18224 2533 1 8 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.061 -0.094 18224 2534 1 8 . 1 1 11 11 TYR H H 11 7.849 7.849 8.413 -0.564 18224 2535 1 8 . 1 1 12 12 GLY N N 12 109.685 109.685 109.150 0.535 18224 2536 1 8 . 1 1 12 12 GLY C C 12 174.099 174.099 172.361 1.738 18224 2537 1 8 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.705 0.840 18224 2538 1 8 . 1 1 12 12 GLY H H 12 7.792 7.792 7.932 -0.140 18224 2539 1 8 . 1 1 13 13 ALA N N 13 123.072 123.072 122.201 0.871 18224 2540 1 8 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.498 -0.223 18224 2541 1 8 . 1 1 13 13 ALA C C 13 177.669 177.669 175.716 1.953 18224 2542 1 8 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.714 0.256 18224 2543 1 8 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.439 -0.148 18224 2544 1 8 . 1 1 13 13 ALA H H 13 7.880 7.880 8.057 -0.177 18224 2545 1 8 . 1 1 14 14 ASP N N 14 117.540 117.540 117.949 -0.409 18224 2546 1 8 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.308 0.341 18224 2547 1 8 . 1 1 14 14 ASP C C 14 175.649 175.649 175.125 0.524 18224 2548 1 8 . 1 1 14 14 ASP CA C 14 53.964 53.964 55.005 -1.041 18224 2549 1 8 . 1 1 14 14 ASP CB C 14 39.683 39.683 40.121 -0.438 18224 2550 1 8 . 1 1 14 14 ASP H H 14 8.281 8.281 8.514 -0.233 18224 2551 1 8 . 1 1 15 15 ASN N N 15 118.400 118.400 115.912 2.488 18224 2552 1 8 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.650 0.036 18224 2553 1 8 . 1 1 15 15 ASN C C 15 175.351 175.351 174.511 0.840 18224 2554 1 8 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.758 -0.150 18224 2555 1 8 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.335 -0.393 18224 2556 1 8 . 1 1 15 15 ASN H H 15 8.137 8.137 7.837 0.300 18224 2557 1 8 . 1 1 16 16 GLN N N 16 120.072 120.072 120.338 -0.266 18224 2558 1 8 . 1 1 16 16 GLN HA H 16 4.360 4.360 3.988 0.372 18224 2559 1 8 . 1 1 16 16 GLN C C 16 176.206 176.206 175.009 1.197 18224 2560 1 8 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.333 0.069 18224 2561 1 8 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.218 2.951 18224 2562 1 8 . 1 1 16 16 GLN H H 16 8.284 8.284 8.277 0.007 18224 2563 1 8 . 1 1 17 17 SER N N 17 116.112 116.112 115.241 0.871 18224 2564 1 8 . 1 1 17 17 SER HA H 17 4.440 4.440 4.182 0.258 18224 2565 1 8 . 1 1 17 17 SER C C 17 174.568 174.568 175.064 -0.496 18224 2566 1 8 . 1 1 17 17 SER CA C 17 58.911 58.911 59.396 -0.485 18224 2567 1 8 . 1 1 17 17 SER CB C 17 63.897 63.897 63.706 0.191 18224 2568 1 8 . 1 1 17 17 SER H H 17 8.211 8.211 8.150 0.061 18224 2569 1 8 . 1 1 18 18 GLU N N 18 121.378 121.378 121.558 -0.180 18224 2570 1 8 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.317 0.062 18224 2571 1 8 . 1 1 18 18 GLU C C 18 175.934 175.934 175.606 0.328 18224 2572 1 8 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.973 0.433 18224 2573 1 8 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.654 -1.521 18224 2574 1 8 . 1 1 18 18 GLU H H 18 8.262 8.262 8.568 -0.306 18224 2575 1 8 . 1 1 19 19 CYS N N 19 119.418 119.418 120.793 -1.375 18224 2576 1 8 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.482 -0.038 18224 2577 1 8 . 1 1 19 19 CYS C C 19 174.568 174.568 174.721 -0.153 18224 2578 1 8 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.082 -0.243 18224 2579 1 8 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.954 -1.981 18224 2580 1 8 . 1 1 19 19 CYS H H 19 8.182 8.182 7.956 0.226 18224 2581 1 8 . 1 1 20 20 GLU N N 20 122.737 122.737 119.332 3.405 18224 2582 1 8 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.919 0.388 18224 2583 1 8 . 1 1 20 20 GLU C C 20 176.083 176.083 175.407 0.676 18224 2584 1 8 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.822 -1.282 18224 2585 1 8 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.748 0.118 18224 2586 1 8 . 1 1 20 20 GLU H H 20 8.303 8.303 8.538 -0.235 18224 2587 1 8 . 1 1 21 21 TYR N N 21 119.549 119.549 119.669 -0.120 18224 2588 1 8 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.957 0.517 18224 2589 1 8 . 1 1 21 21 TYR C C 21 175.826 175.826 174.294 1.532 18224 2590 1 8 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.205 -0.533 18224 2591 1 8 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.371 1.218 18224 2592 1 8 . 1 1 21 21 TYR H H 21 7.888 7.888 8.174 -0.286 18224 2593 1 8 . 1 1 22 22 THR N N 22 112.218 112.218 113.542 -1.324 18224 2594 1 8 . 1 1 22 22 THR HA H 22 4.163 4.163 3.810 0.353 18224 2595 1 8 . 1 1 22 22 THR C C 22 174.737 174.737 173.657 1.080 18224 2596 1 8 . 1 1 22 22 THR CA C 22 62.778 62.778 61.774 1.004 18224 2597 1 8 . 1 1 22 22 THR CB C 22 69.531 69.531 69.812 -0.281 18224 2598 1 8 . 1 1 22 22 THR H H 22 7.683 7.683 7.109 0.574 18224 2599 1 8 . 1 1 23 23 ASP N N 23 121.090 121.090 121.334 -0.244 18224 2600 1 8 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.668 0.043 18224 2601 1 8 . 1 1 23 23 ASP C C 23 176.279 176.279 176.520 -0.241 18224 2602 1 8 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.333 0.777 18224 2603 1 8 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.739 -1.401 18224 2604 1 8 . 1 1 23 23 ASP H H 23 8.059 8.059 7.365 0.694 18224 2605 1 8 . 1 1 24 24 TRP N N 24 121.546 121.546 122.547 -1.001 18224 2606 1 8 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.421 0.065 18224 2607 1 8 . 1 1 24 24 TRP C C 24 177.051 177.051 177.585 -0.534 18224 2608 1 8 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.432 1.396 18224 2609 1 8 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.633 1.435 18224 2610 1 8 . 1 1 24 24 TRP H H 24 7.888 7.888 7.178 0.710 18224 2611 1 8 . 1 1 25 25 LYS N N 25 120.106 120.106 121.582 -1.476 18224 2612 1 8 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.245 -0.255 18224 2613 1 8 . 1 1 25 25 LYS C C 25 176.764 176.764 176.418 0.346 18224 2614 1 8 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.913 0.809 18224 2615 1 8 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.313 1.988 18224 2616 1 8 . 1 1 25 25 LYS H H 25 7.620 7.620 8.329 -0.709 18224 2617 1 8 . 1 1 26 26 SER N N 26 114.114 114.114 114.410 -0.296 18224 2618 1 8 . 1 1 26 26 SER HA H 26 4.471 4.471 4.422 0.049 18224 2619 1 8 . 1 1 26 26 SER C C 26 175.124 175.124 174.541 0.583 18224 2620 1 8 . 1 1 26 26 SER CA C 26 58.757 58.757 60.158 -1.401 18224 2621 1 8 . 1 1 26 26 SER CB C 26 63.812 63.812 63.619 0.193 18224 2622 1 8 . 1 1 26 26 SER H H 26 7.796 7.796 8.230 -0.434 18224 2623 1 8 . 1 1 27 27 SER N N 27 116.655 116.655 116.908 -0.253 18224 2624 1 8 . 1 1 27 27 SER HA H 27 4.386 4.386 4.642 -0.256 18224 2625 1 8 . 1 1 27 27 SER C C 27 175.505 175.505 174.382 1.123 18224 2626 1 8 . 1 1 27 27 SER CA C 27 59.611 59.611 59.053 0.558 18224 2627 1 8 . 1 1 27 27 SER CB C 27 64.117 64.117 64.528 -0.411 18224 2628 1 8 . 1 1 27 27 SER H H 27 8.046 8.046 7.835 0.211 18224 2629 1 8 . 1 1 28 28 GLY N N 28 111.049 111.049 108.943 2.106 18224 2630 1 8 . 1 1 28 28 GLY C C 28 174.495 174.495 173.533 0.962 18224 2631 1 8 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.937 0.184 18224 2632 1 8 . 1 1 28 28 GLY H H 28 8.304 8.304 8.188 0.116 18224 2633 1 8 . 1 1 29 29 ALA N N 29 121.693 121.693 120.881 0.812 18224 2634 1 8 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.862 0.487 18224 2635 1 8 . 1 1 29 29 ALA C C 29 177.695 177.695 176.524 1.171 18224 2636 1 8 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.946 -0.835 18224 2637 1 8 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.895 2.069 18224 2638 1 8 . 1 1 29 29 ALA H H 29 7.941 7.941 8.374 -0.433 18224 2639 1 8 . 1 1 30 30 LEU N N 30 117.996 117.996 114.602 3.394 18224 2640 1 8 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.295 -0.113 18224 2641 1 8 . 1 1 30 30 LEU C C 30 177.484 177.484 177.892 -0.408 18224 2642 1 8 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.606 2.364 18224 2643 1 8 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.578 -0.156 18224 2644 1 8 . 1 1 30 30 LEU H H 30 7.968 7.968 7.940 0.028 18224 2645 1 8 . 1 1 31 31 ILE N N 31 117.106 117.106 120.105 -2.999 18224 2646 1 8 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.204 -0.265 18224 2647 1 8 . 1 1 31 31 ILE C C 31 174.998 174.998 175.675 -0.677 18224 2648 1 8 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.908 2.014 18224 2649 1 8 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.613 -0.505 18224 2650 1 8 . 1 1 31 31 ILE H H 31 8.027 8.027 8.149 -0.122 18224 2651 1 8 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.275 0.009 18224 2652 1 8 . 1 1 32 32 PRO C C 32 178.663 178.663 178.192 0.471 18224 2653 1 8 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.761 0.232 18224 2654 1 8 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.837 0.219 18224 2655 1 8 . 1 1 33 33 ALA N N 33 119.031 119.031 119.759 -0.728 18224 2656 1 8 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.278 -0.112 18224 2657 1 8 . 1 1 33 33 ALA C C 33 178.942 178.942 178.996 -0.054 18224 2658 1 8 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.450 1.090 18224 2659 1 8 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.320 0.166 18224 2660 1 8 . 1 1 33 33 ALA H H 33 7.580 7.580 8.508 -0.928 18224 2661 1 8 . 1 1 34 34 ILE N N 34 117.923 117.923 117.459 0.464 18224 2662 1 8 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.027 -0.329 18224 2663 1 8 . 1 1 34 34 ILE C C 34 177.833 177.833 176.274 1.559 18224 2664 1 8 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.715 2.397 18224 2665 1 8 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.386 -1.035 18224 2666 1 8 . 1 1 34 34 ILE H H 34 8.234 8.234 7.778 0.456 18224 2667 1 8 . 1 1 35 35 TYR N N 35 118.746 118.746 120.897 -2.151 18224 2668 1 8 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.399 -0.284 18224 2669 1 8 . 1 1 35 35 TYR C C 35 178.044 178.044 177.120 0.924 18224 2670 1 8 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.807 -0.049 18224 2671 1 8 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.654 -1.639 18224 2672 1 8 . 1 1 35 35 TYR H H 35 8.355 8.355 7.296 1.059 18224 2673 1 8 . 1 1 36 36 MET N N 36 117.813 117.813 117.148 0.665 18224 2674 1 8 . 1 1 36 36 MET HA H 36 4.281 4.281 4.549 -0.268 18224 2675 1 8 . 1 1 36 36 MET C C 36 178.139 178.139 176.340 1.799 18224 2676 1 8 . 1 1 36 36 MET CA C 36 58.482 58.482 57.360 1.122 18224 2677 1 8 . 1 1 36 36 MET CB C 36 31.716 31.716 32.262 -0.546 18224 2678 1 8 . 1 1 36 36 MET H H 36 8.107 8.107 7.958 0.149 18224 2679 1 8 . 1 1 37 37 LEU N N 37 120.311 120.311 118.381 1.930 18224 2680 1 8 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.424 -0.349 18224 2681 1 8 . 1 1 37 37 LEU C C 37 178.399 178.399 176.565 1.834 18224 2682 1 8 . 1 1 37 37 LEU CA C 37 58.470 58.470 55.958 2.513 18224 2683 1 8 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.468 0.485 18224 2684 1 8 . 1 1 37 37 LEU H H 37 8.229 8.229 7.854 0.375 18224 2685 1 8 . 1 1 38 38 VAL N N 38 118.080 118.080 117.919 0.161 18224 2686 1 8 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.161 -0.636 18224 2687 1 8 . 1 1 38 38 VAL C C 38 178.139 178.139 177.480 0.659 18224 2688 1 8 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.400 3.752 18224 2689 1 8 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.512 -2.062 18224 2690 1 8 . 1 1 38 38 VAL H H 38 8.363 8.363 7.862 0.501 18224 2691 1 8 . 1 1 39 39 PHE N N 39 120.151 120.151 122.530 -2.379 18224 2692 1 8 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.249 -0.026 18224 2693 1 8 . 1 1 39 39 PHE C C 39 178.544 178.544 175.293 3.251 18224 2694 1 8 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.662 0.664 18224 2695 1 8 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.467 -0.551 18224 2696 1 8 . 1 1 39 39 PHE H H 39 8.306 8.306 7.619 0.687 18224 2697 1 8 . 1 1 40 40 LEU N N 40 121.004 121.004 115.737 5.267 18224 2698 1 8 . 1 1 40 40 LEU HA H 40 4.023 4.023 3.694 0.329 18224 2699 1 8 . 1 1 40 40 LEU C C 40 179.704 179.704 179.306 0.398 18224 2700 1 8 . 1 1 40 40 LEU CA C 40 57.938 57.938 56.336 1.602 18224 2701 1 8 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.177 1.115 18224 2702 1 8 . 1 1 40 40 LEU H H 40 8.567 8.567 7.339 1.228 18224 2703 1 8 . 1 1 41 41 LEU N N 41 119.593 119.593 119.792 -0.199 18224 2704 1 8 . 1 1 41 41 LEU HA H 41 4.061 4.061 3.976 0.085 18224 2705 1 8 . 1 1 41 41 LEU C C 41 178.966 178.966 178.497 0.469 18224 2706 1 8 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.249 0.447 18224 2707 1 8 . 1 1 41 41 LEU CB C 41 41.792 41.792 40.535 1.257 18224 2708 1 8 . 1 1 41 41 LEU H H 41 8.503 8.503 8.157 0.346 18224 2709 1 8 . 1 1 42 42 GLY N N 42 105.838 105.838 103.110 2.728 18224 2710 1 8 . 1 1 42 42 GLY C C 42 175.587 175.587 174.330 1.257 18224 2711 1 8 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.819 0.751 18224 2712 1 8 . 1 1 42 42 GLY H H 42 8.355 8.355 7.847 0.508 18224 2713 1 8 . 1 1 43 43 THR N N 43 112.333 112.333 113.136 -0.803 18224 2714 1 8 . 1 1 43 43 THR HA H 43 4.290 4.290 4.719 -0.429 18224 2715 1 8 . 1 1 43 43 THR C C 43 175.765 175.765 174.226 1.539 18224 2716 1 8 . 1 1 43 43 THR CA C 43 63.680 63.680 61.376 2.304 18224 2717 1 8 . 1 1 43 43 THR CB C 43 69.626 69.626 70.276 -0.650 18224 2718 1 8 . 1 1 43 43 THR H H 43 7.895 7.895 7.363 0.532 18224 2719 1 8 . 1 1 44 44 THR N N 44 112.041 112.041 117.791 -5.750 18224 2720 1 8 . 1 1 44 44 THR HA H 44 4.388 4.388 3.802 0.586 18224 2721 1 8 . 1 1 44 44 THR C C 44 175.555 175.555 174.929 0.626 18224 2722 1 8 . 1 1 44 44 THR CA C 44 62.732 62.732 65.257 -2.525 18224 2723 1 8 . 1 1 44 44 THR CB C 44 70.240 70.240 68.007 2.233 18224 2724 1 8 . 1 1 44 44 THR H H 44 7.684 7.684 8.409 -0.725 18224 2725 1 8 . 1 1 45 45 GLY N N 45 109.756 109.756 110.238 -0.482 18224 2726 1 8 . 1 1 45 45 GLY C C 45 174.948 174.948 172.256 2.692 18224 2727 1 8 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.968 1.383 18224 2728 1 8 . 1 1 45 45 GLY H H 45 8.058 8.058 8.388 -0.330 18224 2729 1 8 . 1 1 46 46 ASN N N 46 117.561 117.561 117.591 -0.030 18224 2730 1 8 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.758 0.087 18224 2731 1 8 . 1 1 46 46 ASN C C 46 175.853 175.853 175.788 0.065 18224 2732 1 8 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.915 1.177 18224 2733 1 8 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.789 -0.276 18224 2734 1 8 . 1 1 46 46 ASN H H 46 8.202 8.202 7.715 0.487 18224 2735 1 8 . 1 1 47 47 GLY N N 47 108.715 108.715 112.324 -3.609 18224 2736 1 8 . 1 1 47 47 GLY C C 47 174.431 174.431 175.022 -0.591 18224 2737 1 8 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.744 0.417 18224 2738 1 8 . 1 1 47 47 GLY H H 47 8.600 8.600 8.846 -0.246 18224 2739 1 8 . 1 1 48 48 LEU N N 48 120.089 120.089 119.825 0.264 18224 2740 1 8 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.596 -0.277 18224 2741 1 8 . 1 1 48 48 LEU C C 48 179.243 179.243 177.787 1.456 18224 2742 1 8 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.847 1.469 18224 2743 1 8 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.111 -0.273 18224 2744 1 8 . 1 1 48 48 LEU H H 48 8.003 8.003 7.528 0.475 18224 2745 1 8 . 1 1 49 49 VAL N N 49 120.573 120.573 118.720 1.853 18224 2746 1 8 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.848 -0.027 18224 2747 1 8 . 1 1 49 49 VAL C C 49 177.520 177.520 178.306 -0.786 18224 2748 1 8 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.356 -0.294 18224 2749 1 8 . 1 1 49 49 VAL CB C 49 31.488 31.488 30.890 0.598 18224 2750 1 8 . 1 1 49 49 VAL H H 49 7.910 7.910 8.248 -0.338 18224 2751 1 8 . 1 1 50 50 LEU N N 50 119.718 119.718 119.061 0.657 18224 2752 1 8 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.262 -0.235 18224 2753 1 8 . 1 1 50 50 LEU C C 50 178.169 178.169 178.830 -0.661 18224 2754 1 8 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.962 0.090 18224 2755 1 8 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.513 0.229 18224 2756 1 8 . 1 1 50 50 LEU H H 50 7.860 7.860 8.000 -0.140 18224 2757 1 8 . 1 1 51 51 TRP N N 51 118.071 118.071 121.469 -3.398 18224 2758 1 8 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.273 0.269 18224 2759 1 8 . 1 1 51 51 TRP C C 51 177.296 177.296 177.542 -0.246 18224 2760 1 8 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.290 -0.372 18224 2761 1 8 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.511 1.464 18224 2762 1 8 . 1 1 51 51 TRP H H 51 8.109 8.109 7.796 0.313 18224 2763 1 8 . 1 1 52 52 THR N N 52 113.243 113.243 115.956 -2.713 18224 2764 1 8 . 1 1 52 52 THR HA H 52 3.773 3.773 3.445 0.328 18224 2765 1 8 . 1 1 52 52 THR C C 52 176.402 176.402 176.256 0.146 18224 2766 1 8 . 1 1 52 52 THR CA C 52 66.690 66.690 66.715 -0.025 18224 2767 1 8 . 1 1 52 52 THR CB C 52 68.921 68.921 68.778 0.143 18224 2768 1 8 . 1 1 52 52 THR H H 52 8.072 8.072 7.572 0.500 18224 2769 1 8 . 1 1 53 53 VAL N N 53 120.307 120.307 121.914 -1.607 18224 2770 1 8 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.627 0.036 18224 2771 1 8 . 1 1 53 53 VAL C C 53 177.362 177.362 177.326 0.036 18224 2772 1 8 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.928 0.364 18224 2773 1 8 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.653 0.064 18224 2774 1 8 . 1 1 53 53 VAL H H 53 8.006 8.006 7.557 0.449 18224 2775 1 8 . 1 1 54 54 PHE N N 54 119.041 119.041 117.508 1.533 18224 2776 1 8 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.320 -0.092 18224 2777 1 8 . 1 1 54 54 PHE C C 54 177.476 177.476 175.248 2.228 18224 2778 1 8 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.345 1.547 18224 2779 1 8 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.453 -0.857 18224 2780 1 8 . 1 1 54 54 PHE H H 54 8.143 8.143 8.499 -0.356 18224 2781 1 8 . 1 1 55 55 ARG N N 55 117.543 117.543 118.713 -1.170 18224 2782 1 8 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.874 -0.011 18224 2783 1 8 . 1 1 55 55 ARG C C 55 177.832 177.832 178.145 -0.313 18224 2784 1 8 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.867 0.839 18224 2785 1 8 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.246 -0.770 18224 2786 1 8 . 1 1 55 55 ARG H H 55 8.112 8.112 7.327 0.785 18224 2787 1 8 . 1 1 56 56 LYS N N 56 118.390 118.390 119.835 -1.445 18224 2788 1 8 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.952 0.211 18224 2789 1 8 . 1 1 56 56 LYS C C 56 177.400 177.400 179.132 -1.732 18224 2790 1 8 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.935 -1.225 18224 2791 1 8 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.105 0.674 18224 2792 1 8 . 1 1 56 56 LYS H H 56 7.789 7.789 8.303 -0.514 18224 2793 1 8 . 1 1 57 57 LYS N N 57 118.190 118.190 118.904 -0.714 18224 2794 1 8 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.258 0.001 18224 2795 1 8 . 1 1 57 57 LYS C C 57 176.791 176.791 176.073 0.718 18224 2796 1 8 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.936 0.489 18224 2797 1 8 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.902 1.921 18224 2798 1 8 . 1 1 57 57 LYS H H 57 7.821 7.821 7.523 0.298 18224 2799 1 8 . 1 1 58 58 GLY N N 58 107.289 107.289 108.043 -0.754 18224 2800 1 8 . 1 1 58 58 GLY C C 58 173.607 173.607 174.567 -0.960 18224 2801 1 8 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.710 0.764 18224 2802 1 8 . 1 1 58 58 GLY H H 58 7.927 7.927 7.865 0.062 18224 2803 1 8 . 1 1 59 59 HIS N N 59 116.847 116.847 120.926 -4.079 18224 2804 1 8 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.434 0.259 18224 2805 1 8 . 1 1 59 59 HIS C C 59 174.153 174.153 176.421 -2.268 18224 2806 1 8 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.269 -2.111 18224 2807 1 8 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.347 -1.432 18224 2808 1 8 . 1 1 59 59 HIS H H 59 8.120 8.120 7.743 0.377 18224 2809 1 8 . 1 1 60 60 HIS N N 60 118.028 118.028 118.139 -0.111 18224 2810 1 8 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.488 0.204 18224 2811 1 8 . 1 1 60 60 HIS C C 60 173.987 173.987 174.971 -0.984 18224 2812 1 8 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.896 -1.388 18224 2813 1 8 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.904 -1.079 18224 2814 1 8 . 1 1 60 60 HIS H H 60 8.328 8.328 8.418 -0.090 18224 2815 1 8 . 1 1 61 61 HIS N N 61 118.101 118.101 125.484 -7.383 18224 2816 1 8 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.492 0.198 18224 2817 1 8 . 1 1 61 61 HIS C C 61 174.032 174.032 175.461 -1.429 18224 2818 1 8 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.047 -0.329 18224 2819 1 8 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.794 -0.899 18224 2820 1 8 . 1 1 61 61 HIS H H 61 8.351 8.351 8.695 -0.344 18224 2821 1 8 . 1 1 62 62 HIS N N 62 118.704 118.704 125.252 -6.548 18224 2822 1 8 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.332 0.369 18224 2823 1 8 . 1 1 62 62 HIS C C 62 173.803 173.803 175.412 -1.609 18224 2824 1 8 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.424 -0.820 18224 2825 1 8 . 1 1 62 62 HIS CB C 62 29.163 29.163 28.959 0.204 18224 2826 1 8 . 1 1 62 62 HIS H H 62 8.381 8.381 8.661 -0.280 18224 2827 1 8 . 1 1 63 63 HIS N N 63 118.853 118.853 123.568 -4.715 18224 2828 1 8 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.492 0.189 18224 2829 1 8 . 1 1 63 63 HIS C C 63 173.576 173.576 176.313 -2.737 18224 2830 1 8 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.745 -1.047 18224 2831 1 8 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.827 -1.694 18224 2832 1 8 . 1 1 63 63 HIS H H 63 8.299 8.299 8.518 -0.219 18224 2833 1 9 . 1 1 2 2 GLU N N 2 122.762 122.762 125.032 -2.270 18224 2834 1 9 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.485 -0.047 18224 2835 1 9 . 1 1 2 2 GLU C C 2 175.581 175.581 175.539 0.042 18224 2836 1 9 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.448 -0.088 18224 2837 1 9 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.204 0.378 18224 2838 1 9 . 1 1 2 2 GLU H H 2 8.628 8.628 8.746 -0.118 18224 2839 1 9 . 1 1 3 3 GLU N N 3 121.071 121.071 120.843 0.228 18224 2840 1 9 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.546 -0.165 18224 2841 1 9 . 1 1 3 3 GLU C C 3 176.457 176.457 176.337 0.120 18224 2842 1 9 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.584 -0.236 18224 2843 1 9 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.942 -0.743 18224 2844 1 9 . 1 1 3 3 GLU H H 3 8.393 8.393 7.926 0.467 18224 2845 1 9 . 1 1 4 4 GLY N N 4 109.717 109.717 109.341 0.376 18224 2846 1 9 . 1 1 4 4 GLY C C 4 174.677 174.677 175.233 -0.556 18224 2847 1 9 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.460 1.181 18224 2848 1 9 . 1 1 4 4 GLY H H 4 8.377 8.377 8.389 -0.012 18224 2849 1 9 . 1 1 5 5 GLY N N 5 108.373 108.373 107.461 0.912 18224 2850 1 9 . 1 1 5 5 GLY C C 5 174.047 174.047 174.079 -0.032 18224 2851 1 9 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.492 1.080 18224 2852 1 9 . 1 1 5 5 GLY H H 5 8.115 8.115 8.001 0.114 18224 2853 1 9 . 1 1 6 6 ASP N N 6 118.996 118.996 120.710 -1.714 18224 2854 1 9 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.867 -0.218 18224 2855 1 9 . 1 1 6 6 ASP C C 6 175.903 175.903 174.967 0.936 18224 2856 1 9 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.979 -0.934 18224 2857 1 9 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.262 -0.918 18224 2858 1 9 . 1 1 6 6 ASP H H 6 8.166 8.166 8.489 -0.323 18224 2859 1 9 . 1 1 7 7 PHE N N 7 119.750 119.750 123.661 -3.911 18224 2860 1 9 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.734 -0.184 18224 2861 1 9 . 1 1 7 7 PHE C C 7 175.919 175.919 173.938 1.981 18224 2862 1 9 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.947 -0.014 18224 2863 1 9 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.243 -1.063 18224 2864 1 9 . 1 1 7 7 PHE H H 7 8.151 8.151 8.273 -0.122 18224 2865 1 9 . 1 1 8 8 ASP N N 8 118.526 118.526 122.262 -3.736 18224 2866 1 9 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.671 -0.173 18224 2867 1 9 . 1 1 8 8 ASP C C 8 175.787 175.787 175.117 0.670 18224 2868 1 9 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.569 0.066 18224 2869 1 9 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.250 -2.047 18224 2870 1 9 . 1 1 8 8 ASP H H 8 8.161 8.161 8.325 -0.164 18224 2871 1 9 . 1 1 9 9 ASN N N 9 117.291 117.291 116.840 0.451 18224 2872 1 9 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.369 0.202 18224 2873 1 9 . 1 1 9 9 ASN C C 9 175.142 175.142 174.403 0.739 18224 2874 1 9 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.857 0.077 18224 2875 1 9 . 1 1 9 9 ASN CB C 9 38.792 38.792 36.889 1.903 18224 2876 1 9 . 1 1 9 9 ASN H H 9 8.013 8.013 8.387 -0.374 18224 2877 1 9 . 1 1 10 10 TYR N N 10 119.112 119.112 118.385 0.727 18224 2878 1 9 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.162 0.284 18224 2879 1 9 . 1 1 10 10 TYR C C 10 175.513 175.513 176.615 -1.102 18224 2880 1 9 . 1 1 10 10 TYR CA C 10 58.974 58.974 60.349 -1.375 18224 2881 1 9 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.579 0.304 18224 2882 1 9 . 1 1 10 10 TYR H H 10 7.848 7.848 8.102 -0.254 18224 2883 1 9 . 1 1 11 11 TYR N N 11 119.438 119.438 117.562 1.876 18224 2884 1 9 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.382 0.125 18224 2885 1 9 . 1 1 11 11 TYR C C 11 175.939 175.939 176.581 -0.642 18224 2886 1 9 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.453 -1.155 18224 2887 1 9 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.173 -0.206 18224 2888 1 9 . 1 1 11 11 TYR H H 11 7.849 7.849 8.161 -0.312 18224 2889 1 9 . 1 1 12 12 GLY N N 12 109.685 109.685 109.732 -0.047 18224 2890 1 9 . 1 1 12 12 GLY C C 12 174.099 174.099 173.709 0.390 18224 2891 1 9 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.890 -0.345 18224 2892 1 9 . 1 1 12 12 GLY H H 12 7.792 7.792 8.752 -0.960 18224 2893 1 9 . 1 1 13 13 ALA N N 13 123.072 123.072 123.853 -0.781 18224 2894 1 9 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.382 -0.107 18224 2895 1 9 . 1 1 13 13 ALA C C 13 177.669 177.669 176.323 1.346 18224 2896 1 9 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.650 0.320 18224 2897 1 9 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.380 1.910 18224 2898 1 9 . 1 1 13 13 ALA H H 13 7.880 7.880 8.047 -0.167 18224 2899 1 9 . 1 1 14 14 ASP N N 14 117.540 117.540 121.097 -3.557 18224 2900 1 9 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.748 -0.099 18224 2901 1 9 . 1 1 14 14 ASP C C 14 175.649 175.649 175.190 0.459 18224 2902 1 9 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.043 -0.079 18224 2903 1 9 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.667 -1.984 18224 2904 1 9 . 1 1 14 14 ASP H H 14 8.281 8.281 8.377 -0.096 18224 2905 1 9 . 1 1 15 15 ASN N N 15 118.400 118.400 118.480 -0.080 18224 2906 1 9 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.740 -0.054 18224 2907 1 9 . 1 1 15 15 ASN C C 15 175.351 175.351 175.082 0.269 18224 2908 1 9 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.689 -0.081 18224 2909 1 9 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.443 -0.501 18224 2910 1 9 . 1 1 15 15 ASN H H 15 8.137 8.137 8.023 0.114 18224 2911 1 9 . 1 1 16 16 GLN N N 16 120.072 120.072 119.707 0.365 18224 2912 1 9 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.021 0.339 18224 2913 1 9 . 1 1 16 16 GLN C C 16 176.206 176.206 174.784 1.422 18224 2914 1 9 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.691 -0.289 18224 2915 1 9 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.051 2.118 18224 2916 1 9 . 1 1 16 16 GLN H H 16 8.284 8.284 8.553 -0.269 18224 2917 1 9 . 1 1 17 17 SER N N 17 116.112 116.112 116.991 -0.879 18224 2918 1 9 . 1 1 17 17 SER HA H 17 4.440 4.440 4.430 0.010 18224 2919 1 9 . 1 1 17 17 SER C C 17 174.568 174.568 174.407 0.161 18224 2920 1 9 . 1 1 17 17 SER CA C 17 58.911 58.911 58.561 0.350 18224 2921 1 9 . 1 1 17 17 SER CB C 17 63.897 63.897 62.282 1.615 18224 2922 1 9 . 1 1 17 17 SER H H 17 8.211 8.211 8.137 0.074 18224 2923 1 9 . 1 1 18 18 GLU N N 18 121.378 121.378 123.515 -2.137 18224 2924 1 9 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.042 0.337 18224 2925 1 9 . 1 1 18 18 GLU C C 18 175.934 175.934 175.132 0.802 18224 2926 1 9 . 1 1 18 18 GLU CA C 18 56.406 56.406 57.731 -1.325 18224 2927 1 9 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.102 0.031 18224 2928 1 9 . 1 1 18 18 GLU H H 18 8.262 8.262 8.248 0.014 18224 2929 1 9 . 1 1 19 19 CYS N N 19 119.418 119.418 121.575 -2.157 18224 2930 1 9 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.880 -0.436 18224 2931 1 9 . 1 1 19 19 CYS C C 19 174.568 174.568 174.319 0.249 18224 2932 1 9 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.861 0.978 18224 2933 1 9 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.482 -0.509 18224 2934 1 9 . 1 1 19 19 CYS H H 19 8.182 8.182 8.317 -0.135 18224 2935 1 9 . 1 1 20 20 GLU N N 20 122.737 122.737 121.643 1.094 18224 2936 1 9 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.238 0.069 18224 2937 1 9 . 1 1 20 20 GLU C C 20 176.083 176.083 175.822 0.261 18224 2938 1 9 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.684 -0.144 18224 2939 1 9 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.981 -0.115 18224 2940 1 9 . 1 1 20 20 GLU H H 20 8.303 8.303 8.541 -0.238 18224 2941 1 9 . 1 1 21 21 TYR N N 21 119.549 119.549 120.514 -0.965 18224 2942 1 9 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.617 -0.143 18224 2943 1 9 . 1 1 21 21 TYR C C 21 175.826 175.826 175.135 0.691 18224 2944 1 9 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.524 -0.853 18224 2945 1 9 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.469 1.120 18224 2946 1 9 . 1 1 21 21 TYR H H 21 7.888 7.888 8.280 -0.392 18224 2947 1 9 . 1 1 22 22 THR N N 22 112.218 112.218 113.883 -1.665 18224 2948 1 9 . 1 1 22 22 THR HA H 22 4.163 4.163 3.521 0.642 18224 2949 1 9 . 1 1 22 22 THR C C 22 174.737 174.737 174.956 -0.219 18224 2950 1 9 . 1 1 22 22 THR CA C 22 62.778 62.778 64.100 -1.321 18224 2951 1 9 . 1 1 22 22 THR CB C 22 69.531 69.531 68.757 0.774 18224 2952 1 9 . 1 1 22 22 THR H H 22 7.683 7.683 7.534 0.149 18224 2953 1 9 . 1 1 23 23 ASP N N 23 121.090 121.090 119.883 1.207 18224 2954 1 9 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.679 0.032 18224 2955 1 9 . 1 1 23 23 ASP C C 23 176.279 176.279 176.876 -0.597 18224 2956 1 9 . 1 1 23 23 ASP CA C 23 54.110 54.110 55.526 -1.416 18224 2957 1 9 . 1 1 23 23 ASP CB C 23 39.338 39.338 41.008 -1.670 18224 2958 1 9 . 1 1 23 23 ASP H H 23 8.059 8.059 7.658 0.401 18224 2959 1 9 . 1 1 24 24 TRP N N 24 121.546 121.546 120.608 0.938 18224 2960 1 9 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.511 -0.025 18224 2961 1 9 . 1 1 24 24 TRP C C 24 177.051 177.051 177.341 -0.290 18224 2962 1 9 . 1 1 24 24 TRP CA C 24 58.828 58.828 55.706 3.122 18224 2963 1 9 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.396 0.672 18224 2964 1 9 . 1 1 24 24 TRP H H 24 7.888 7.888 7.463 0.425 18224 2965 1 9 . 1 1 25 25 LYS N N 25 120.106 120.106 119.902 0.204 18224 2966 1 9 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.949 0.041 18224 2967 1 9 . 1 1 25 25 LYS C C 25 176.764 176.764 175.492 1.272 18224 2968 1 9 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.600 1.122 18224 2969 1 9 . 1 1 25 25 LYS CB C 25 32.301 32.301 29.929 2.372 18224 2970 1 9 . 1 1 25 25 LYS H H 25 7.620 7.620 7.969 -0.349 18224 2971 1 9 . 1 1 26 26 SER N N 26 114.114 114.114 117.332 -3.218 18224 2972 1 9 . 1 1 26 26 SER HA H 26 4.471 4.471 4.294 0.177 18224 2973 1 9 . 1 1 26 26 SER C C 26 175.124 175.124 175.135 -0.011 18224 2974 1 9 . 1 1 26 26 SER CA C 26 58.757 58.757 61.126 -2.369 18224 2975 1 9 . 1 1 26 26 SER CB C 26 63.812 63.812 63.693 0.119 18224 2976 1 9 . 1 1 26 26 SER H H 26 7.796 7.796 8.414 -0.618 18224 2977 1 9 . 1 1 27 27 SER N N 27 116.655 116.655 113.940 2.715 18224 2978 1 9 . 1 1 27 27 SER HA H 27 4.386 4.386 4.653 -0.267 18224 2979 1 9 . 1 1 27 27 SER C C 27 175.505 175.505 175.784 -0.279 18224 2980 1 9 . 1 1 27 27 SER CA C 27 59.611 59.611 58.570 1.041 18224 2981 1 9 . 1 1 27 27 SER CB C 27 64.117 64.117 64.157 -0.040 18224 2982 1 9 . 1 1 27 27 SER H H 27 8.046 8.046 8.034 0.012 18224 2983 1 9 . 1 1 28 28 GLY N N 28 111.049 111.049 111.104 -0.055 18224 2984 1 9 . 1 1 28 28 GLY C C 28 174.495 174.495 173.945 0.550 18224 2985 1 9 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.640 -0.519 18224 2986 1 9 . 1 1 28 28 GLY H H 28 8.304 8.304 8.321 -0.017 18224 2987 1 9 . 1 1 29 29 ALA N N 29 121.693 121.693 122.241 -0.548 18224 2988 1 9 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.434 -0.085 18224 2989 1 9 . 1 1 29 29 ALA C C 29 177.695 177.695 176.507 1.188 18224 2990 1 9 . 1 1 29 29 ALA CA C 29 53.111 53.111 51.134 1.977 18224 2991 1 9 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.785 1.179 18224 2992 1 9 . 1 1 29 29 ALA H H 29 7.941 7.941 7.476 0.465 18224 2993 1 9 . 1 1 30 30 LEU N N 30 117.996 117.996 124.491 -6.495 18224 2994 1 9 . 1 1 30 30 LEU HA H 30 4.182 4.182 3.960 0.222 18224 2995 1 9 . 1 1 30 30 LEU C C 30 177.484 177.484 178.063 -0.579 18224 2996 1 9 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.816 0.153 18224 2997 1 9 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.242 0.180 18224 2998 1 9 . 1 1 30 30 LEU H H 30 7.968 7.968 7.821 0.147 18224 2999 1 9 . 1 1 31 31 ILE N N 31 117.106 117.106 116.544 0.562 18224 3000 1 9 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.250 -0.311 18224 3001 1 9 . 1 1 31 31 ILE C C 31 174.998 174.998 176.128 -1.130 18224 3002 1 9 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.523 2.399 18224 3003 1 9 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.720 -0.612 18224 3004 1 9 . 1 1 31 31 ILE H H 31 8.027 8.027 8.130 -0.103 18224 3005 1 9 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.326 -0.042 18224 3006 1 9 . 1 1 32 32 PRO C C 32 178.663 178.663 177.281 1.382 18224 3007 1 9 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.584 0.409 18224 3008 1 9 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.653 0.403 18224 3009 1 9 . 1 1 33 33 ALA N N 33 119.031 119.031 119.213 -0.182 18224 3010 1 9 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.216 -0.050 18224 3011 1 9 . 1 1 33 33 ALA C C 33 178.942 178.942 178.669 0.273 18224 3012 1 9 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.243 1.297 18224 3013 1 9 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.803 -0.318 18224 3014 1 9 . 1 1 33 33 ALA H H 33 7.580 7.580 7.569 0.011 18224 3015 1 9 . 1 1 34 34 ILE N N 34 117.923 117.923 117.297 0.626 18224 3016 1 9 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.947 -0.248 18224 3017 1 9 . 1 1 34 34 ILE C C 34 177.833 177.833 177.085 0.748 18224 3018 1 9 . 1 1 34 34 ILE CA C 34 65.112 65.112 61.790 3.322 18224 3019 1 9 . 1 1 34 34 ILE CB C 34 37.351 37.351 36.486 0.865 18224 3020 1 9 . 1 1 34 34 ILE H H 34 8.234 8.234 7.910 0.324 18224 3021 1 9 . 1 1 35 35 TYR N N 35 118.746 118.746 120.428 -1.682 18224 3022 1 9 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.220 -0.105 18224 3023 1 9 . 1 1 35 35 TYR C C 35 178.044 178.044 178.058 -0.014 18224 3024 1 9 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.647 -0.888 18224 3025 1 9 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.757 -0.742 18224 3026 1 9 . 1 1 35 35 TYR H H 35 8.355 8.355 7.516 0.839 18224 3027 1 9 . 1 1 36 36 MET N N 36 117.813 117.813 118.081 -0.268 18224 3028 1 9 . 1 1 36 36 MET HA H 36 4.281 4.281 4.316 -0.035 18224 3029 1 9 . 1 1 36 36 MET C C 36 178.139 178.139 178.037 0.102 18224 3030 1 9 . 1 1 36 36 MET CA C 36 58.482 58.482 59.291 -0.809 18224 3031 1 9 . 1 1 36 36 MET CB C 36 31.716 31.716 32.695 -0.979 18224 3032 1 9 . 1 1 36 36 MET H H 36 8.107 8.107 7.742 0.365 18224 3033 1 9 . 1 1 37 37 LEU N N 37 120.311 120.311 118.579 1.732 18224 3034 1 9 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.179 -0.104 18224 3035 1 9 . 1 1 37 37 LEU C C 37 178.399 178.399 177.348 1.051 18224 3036 1 9 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.170 1.300 18224 3037 1 9 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.852 1.101 18224 3038 1 9 . 1 1 37 37 LEU H H 37 8.229 8.229 7.718 0.511 18224 3039 1 9 . 1 1 38 38 VAL N N 38 118.080 118.080 116.911 1.169 18224 3040 1 9 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.123 -0.598 18224 3041 1 9 . 1 1 38 38 VAL C C 38 178.139 178.139 175.727 2.412 18224 3042 1 9 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.741 4.411 18224 3043 1 9 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.443 -1.993 18224 3044 1 9 . 1 1 38 38 VAL H H 38 8.363 8.363 7.607 0.756 18224 3045 1 9 . 1 1 39 39 PHE N N 39 120.151 120.151 119.656 0.495 18224 3046 1 9 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.428 -0.205 18224 3047 1 9 . 1 1 39 39 PHE C C 39 178.544 178.544 176.426 2.118 18224 3048 1 9 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.887 0.439 18224 3049 1 9 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.582 -2.666 18224 3050 1 9 . 1 1 39 39 PHE H H 39 8.306 8.306 7.794 0.512 18224 3051 1 9 . 1 1 40 40 LEU N N 40 121.004 121.004 116.823 4.181 18224 3052 1 9 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.354 -0.331 18224 3053 1 9 . 1 1 40 40 LEU C C 40 179.704 179.704 179.479 0.225 18224 3054 1 9 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.737 0.201 18224 3055 1 9 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.362 0.930 18224 3056 1 9 . 1 1 40 40 LEU H H 40 8.567 8.567 7.685 0.882 18224 3057 1 9 . 1 1 41 41 LEU N N 41 119.593 119.593 119.798 -0.205 18224 3058 1 9 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.017 0.044 18224 3059 1 9 . 1 1 41 41 LEU C C 41 178.966 178.966 178.092 0.874 18224 3060 1 9 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.421 0.275 18224 3061 1 9 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.676 0.116 18224 3062 1 9 . 1 1 41 41 LEU H H 41 8.503 8.503 8.117 0.386 18224 3063 1 9 . 1 1 42 42 GLY N N 42 105.838 105.838 101.515 4.323 18224 3064 1 9 . 1 1 42 42 GLY C C 42 175.587 175.587 173.995 1.592 18224 3065 1 9 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.037 1.533 18224 3066 1 9 . 1 1 42 42 GLY H H 42 8.355 8.355 7.995 0.360 18224 3067 1 9 . 1 1 43 43 THR N N 43 112.333 112.333 115.300 -2.967 18224 3068 1 9 . 1 1 43 43 THR HA H 43 4.290 4.290 4.756 -0.466 18224 3069 1 9 . 1 1 43 43 THR C C 43 175.765 175.765 174.144 1.621 18224 3070 1 9 . 1 1 43 43 THR CA C 43 63.680 63.680 60.954 2.726 18224 3071 1 9 . 1 1 43 43 THR CB C 43 69.626 69.626 69.882 -0.256 18224 3072 1 9 . 1 1 43 43 THR H H 43 7.895 7.895 7.429 0.466 18224 3073 1 9 . 1 1 44 44 THR N N 44 112.041 112.041 116.949 -4.908 18224 3074 1 9 . 1 1 44 44 THR HA H 44 4.388 4.388 4.034 0.354 18224 3075 1 9 . 1 1 44 44 THR C C 44 175.555 175.555 174.511 1.044 18224 3076 1 9 . 1 1 44 44 THR CA C 44 62.732 62.732 65.334 -2.602 18224 3077 1 9 . 1 1 44 44 THR CB C 44 70.240 70.240 68.509 1.731 18224 3078 1 9 . 1 1 44 44 THR H H 44 7.684 7.684 8.367 -0.683 18224 3079 1 9 . 1 1 45 45 GLY N N 45 109.756 109.756 109.980 -0.224 18224 3080 1 9 . 1 1 45 45 GLY C C 45 174.948 174.948 172.684 2.264 18224 3081 1 9 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.016 1.336 18224 3082 1 9 . 1 1 45 45 GLY H H 45 8.058 8.058 8.410 -0.352 18224 3083 1 9 . 1 1 46 46 ASN N N 46 117.561 117.561 119.501 -1.940 18224 3084 1 9 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.477 0.368 18224 3085 1 9 . 1 1 46 46 ASN C C 46 175.853 175.853 175.020 0.833 18224 3086 1 9 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.600 0.492 18224 3087 1 9 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.081 2.432 18224 3088 1 9 . 1 1 46 46 ASN H H 46 8.202 8.202 8.031 0.171 18224 3089 1 9 . 1 1 47 47 GLY N N 47 108.715 108.715 108.837 -0.122 18224 3090 1 9 . 1 1 47 47 GLY C C 47 174.431 174.431 173.552 0.879 18224 3091 1 9 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.693 1.468 18224 3092 1 9 . 1 1 47 47 GLY H H 47 8.600 8.600 8.751 -0.151 18224 3093 1 9 . 1 1 48 48 LEU N N 48 120.089 120.089 120.850 -0.761 18224 3094 1 9 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.736 -0.417 18224 3095 1 9 . 1 1 48 48 LEU C C 48 179.243 179.243 177.628 1.615 18224 3096 1 9 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.363 1.953 18224 3097 1 9 . 1 1 48 48 LEU CB C 48 41.838 41.838 44.177 -2.339 18224 3098 1 9 . 1 1 48 48 LEU H H 48 8.003 8.003 7.797 0.206 18224 3099 1 9 . 1 1 49 49 VAL N N 49 120.573 120.573 121.265 -0.692 18224 3100 1 9 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.986 -0.165 18224 3101 1 9 . 1 1 49 49 VAL C C 49 177.520 177.520 176.217 1.303 18224 3102 1 9 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.500 0.562 18224 3103 1 9 . 1 1 49 49 VAL CB C 49 31.488 31.488 32.119 -0.631 18224 3104 1 9 . 1 1 49 49 VAL H H 49 7.910 7.910 7.613 0.297 18224 3105 1 9 . 1 1 50 50 LEU N N 50 119.718 119.718 115.415 4.303 18224 3106 1 9 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.648 -0.621 18224 3107 1 9 . 1 1 50 50 LEU C C 50 178.169 178.169 177.425 0.744 18224 3108 1 9 . 1 1 50 50 LEU CA C 50 58.052 58.052 55.033 3.019 18224 3109 1 9 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.273 1.468 18224 3110 1 9 . 1 1 50 50 LEU H H 50 7.860 7.860 8.005 -0.145 18224 3111 1 9 . 1 1 51 51 TRP N N 51 118.071 118.071 122.148 -4.077 18224 3112 1 9 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.908 -0.366 18224 3113 1 9 . 1 1 51 51 TRP C C 51 177.296 177.296 176.291 1.005 18224 3114 1 9 . 1 1 51 51 TRP CA C 51 59.918 59.918 58.972 0.946 18224 3115 1 9 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.285 0.690 18224 3116 1 9 . 1 1 51 51 TRP H H 51 8.109 8.109 7.674 0.435 18224 3117 1 9 . 1 1 52 52 THR N N 52 113.243 113.243 115.025 -1.782 18224 3118 1 9 . 1 1 52 52 THR HA H 52 3.773 3.773 3.739 0.034 18224 3119 1 9 . 1 1 52 52 THR C C 52 176.402 176.402 176.175 0.227 18224 3120 1 9 . 1 1 52 52 THR CA C 52 66.690 66.690 63.958 2.732 18224 3121 1 9 . 1 1 52 52 THR CB C 52 68.921 68.921 68.325 0.596 18224 3122 1 9 . 1 1 52 52 THR H H 52 8.072 8.072 8.103 -0.031 18224 3123 1 9 . 1 1 53 53 VAL N N 53 120.307 120.307 121.347 -1.040 18224 3124 1 9 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.788 -0.125 18224 3125 1 9 . 1 1 53 53 VAL C C 53 177.362 177.362 177.225 0.137 18224 3126 1 9 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.810 0.482 18224 3127 1 9 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.689 0.028 18224 3128 1 9 . 1 1 53 53 VAL H H 53 8.006 8.006 7.848 0.158 18224 3129 1 9 . 1 1 54 54 PHE N N 54 119.041 119.041 118.097 0.944 18224 3130 1 9 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.280 -0.052 18224 3131 1 9 . 1 1 54 54 PHE C C 54 177.476 177.476 175.441 2.035 18224 3132 1 9 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.084 1.808 18224 3133 1 9 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.383 -0.787 18224 3134 1 9 . 1 1 54 54 PHE H H 54 8.143 8.143 7.493 0.650 18224 3135 1 9 . 1 1 55 55 ARG N N 55 117.543 117.543 119.063 -1.520 18224 3136 1 9 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.310 0.553 18224 3137 1 9 . 1 1 55 55 ARG C C 55 177.832 177.832 177.673 0.159 18224 3138 1 9 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.042 0.664 18224 3139 1 9 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.135 -0.659 18224 3140 1 9 . 1 1 55 55 ARG H H 55 8.112 8.112 7.176 0.936 18224 3141 1 9 . 1 1 56 56 LYS N N 56 118.390 118.390 118.539 -0.149 18224 3142 1 9 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.791 0.372 18224 3143 1 9 . 1 1 56 56 LYS C C 56 177.400 177.400 177.669 -0.269 18224 3144 1 9 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.641 -0.931 18224 3145 1 9 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.909 0.870 18224 3146 1 9 . 1 1 56 56 LYS H H 56 7.789 7.789 7.811 -0.022 18224 3147 1 9 . 1 1 57 57 LYS N N 57 118.190 118.190 118.932 -0.742 18224 3148 1 9 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.357 -0.098 18224 3149 1 9 . 1 1 57 57 LYS C C 57 176.791 176.791 176.621 0.170 18224 3150 1 9 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.791 0.634 18224 3151 1 9 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.704 1.119 18224 3152 1 9 . 1 1 57 57 LYS H H 57 7.821 7.821 7.283 0.538 18224 3153 1 9 . 1 1 58 58 GLY N N 58 107.289 107.289 108.438 -1.149 18224 3154 1 9 . 1 1 58 58 GLY C C 58 173.607 173.607 174.642 -1.035 18224 3155 1 9 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.680 0.794 18224 3156 1 9 . 1 1 58 58 GLY H H 58 7.927 7.927 7.521 0.406 18224 3157 1 9 . 1 1 59 59 HIS N N 59 116.847 116.847 118.582 -1.735 18224 3158 1 9 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.294 0.399 18224 3159 1 9 . 1 1 59 59 HIS C C 59 174.153 174.153 176.078 -1.925 18224 3160 1 9 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.251 -2.093 18224 3161 1 9 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.698 -0.783 18224 3162 1 9 . 1 1 59 59 HIS H H 59 8.120 8.120 7.605 0.515 18224 3163 1 9 . 1 1 60 60 HIS N N 60 118.028 118.028 120.308 -2.280 18224 3164 1 9 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.248 0.444 18224 3165 1 9 . 1 1 60 60 HIS C C 60 173.987 173.987 175.330 -1.343 18224 3166 1 9 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.741 -0.233 18224 3167 1 9 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.319 -0.493 18224 3168 1 9 . 1 1 60 60 HIS H H 60 8.328 8.328 8.259 0.069 18224 3169 1 9 . 1 1 61 61 HIS N N 61 118.101 118.101 124.585 -6.484 18224 3170 1 9 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.545 0.145 18224 3171 1 9 . 1 1 61 61 HIS C C 61 174.032 174.032 174.826 -0.794 18224 3172 1 9 . 1 1 61 61 HIS CA C 61 55.718 55.718 54.522 1.196 18224 3173 1 9 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.828 -1.933 18224 3174 1 9 . 1 1 61 61 HIS H H 61 8.351 8.351 8.168 0.183 18224 3175 1 9 . 1 1 62 62 HIS N N 62 118.704 118.704 118.450 0.254 18224 3176 1 9 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.224 0.477 18224 3177 1 9 . 1 1 62 62 HIS C C 62 173.803 173.803 174.726 -0.923 18224 3178 1 9 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.987 -1.383 18224 3179 1 9 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.211 -0.048 18224 3180 1 9 . 1 1 62 62 HIS H H 62 8.381 8.381 8.691 -0.310 18224 3181 1 9 . 1 1 63 63 HIS N N 63 118.853 118.853 122.338 -3.485 18224 3182 1 9 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.049 0.632 18224 3183 1 9 . 1 1 63 63 HIS C C 63 173.576 173.576 174.421 -0.845 18224 3184 1 9 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.021 -1.323 18224 3185 1 9 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.420 -0.287 18224 3186 1 9 . 1 1 63 63 HIS H H 63 8.299 8.299 8.314 -0.015 18224 3187 1 10 . 1 1 2 2 GLU N N 2 122.762 122.762 120.668 2.094 18224 3188 1 10 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.018 0.420 18224 3189 1 10 . 1 1 2 2 GLU C C 2 175.581 175.581 175.199 0.382 18224 3190 1 10 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.045 -0.685 18224 3191 1 10 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.051 0.531 18224 3192 1 10 . 1 1 2 2 GLU H H 2 8.628 8.628 8.542 0.086 18224 3193 1 10 . 1 1 3 3 GLU N N 3 121.071 121.071 120.421 0.650 18224 3194 1 10 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.526 -0.145 18224 3195 1 10 . 1 1 3 3 GLU C C 3 176.457 176.457 176.070 0.387 18224 3196 1 10 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.817 -0.469 18224 3197 1 10 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.246 -1.047 18224 3198 1 10 . 1 1 3 3 GLU H H 3 8.393 8.393 8.389 0.004 18224 3199 1 10 . 1 1 4 4 GLY N N 4 109.717 109.717 111.620 -1.903 18224 3200 1 10 . 1 1 4 4 GLY C C 4 174.677 174.677 174.214 0.463 18224 3201 1 10 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.630 1.011 18224 3202 1 10 . 1 1 4 4 GLY H H 4 8.377 8.377 8.444 -0.067 18224 3203 1 10 . 1 1 5 5 GLY N N 5 108.373 108.373 110.506 -2.133 18224 3204 1 10 . 1 1 5 5 GLY C C 5 174.047 174.047 173.375 0.672 18224 3205 1 10 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.701 0.871 18224 3206 1 10 . 1 1 5 5 GLY H H 5 8.115 8.115 8.007 0.108 18224 3207 1 10 . 1 1 6 6 ASP N N 6 118.996 118.996 122.276 -3.280 18224 3208 1 10 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.592 0.057 18224 3209 1 10 . 1 1 6 6 ASP C C 6 175.903 175.903 176.819 -0.916 18224 3210 1 10 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.393 0.652 18224 3211 1 10 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.351 -2.007 18224 3212 1 10 . 1 1 6 6 ASP H H 6 8.166 8.166 7.861 0.305 18224 3213 1 10 . 1 1 7 7 PHE N N 7 119.750 119.750 120.910 -1.160 18224 3214 1 10 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.498 0.052 18224 3215 1 10 . 1 1 7 7 PHE C C 7 175.919 175.919 175.876 0.043 18224 3216 1 10 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.956 -0.024 18224 3217 1 10 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.803 -0.623 18224 3218 1 10 . 1 1 7 7 PHE H H 7 8.151 8.151 7.979 0.172 18224 3219 1 10 . 1 1 8 8 ASP N N 8 118.526 118.526 120.883 -2.357 18224 3220 1 10 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.918 -0.420 18224 3221 1 10 . 1 1 8 8 ASP C C 8 175.787 175.787 175.244 0.543 18224 3222 1 10 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.237 0.398 18224 3223 1 10 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.959 -1.756 18224 3224 1 10 . 1 1 8 8 ASP H H 8 8.161 8.161 8.479 -0.318 18224 3225 1 10 . 1 1 9 9 ASN N N 9 117.291 117.291 118.805 -1.514 18224 3226 1 10 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.920 -0.349 18224 3227 1 10 . 1 1 9 9 ASN C C 9 175.142 175.142 174.089 1.053 18224 3228 1 10 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.594 1.340 18224 3229 1 10 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.568 0.224 18224 3230 1 10 . 1 1 9 9 ASN H H 9 8.013 8.013 8.415 -0.402 18224 3231 1 10 . 1 1 10 10 TYR N N 10 119.112 119.112 120.980 -1.868 18224 3232 1 10 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.400 0.046 18224 3233 1 10 . 1 1 10 10 TYR C C 10 175.513 175.513 176.428 -0.915 18224 3234 1 10 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.881 1.093 18224 3235 1 10 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.269 0.614 18224 3236 1 10 . 1 1 10 10 TYR H H 10 7.848 7.848 7.938 -0.090 18224 3237 1 10 . 1 1 11 11 TYR N N 11 119.438 119.438 125.277 -5.839 18224 3238 1 10 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.493 0.014 18224 3239 1 10 . 1 1 11 11 TYR C C 11 175.939 175.939 174.767 1.172 18224 3240 1 10 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.299 -0.002 18224 3241 1 10 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.248 -0.281 18224 3242 1 10 . 1 1 11 11 TYR H H 11 7.849 7.849 8.306 -0.457 18224 3243 1 10 . 1 1 12 12 GLY N N 12 109.685 109.685 108.619 1.066 18224 3244 1 10 . 1 1 12 12 GLY C C 12 174.099 174.099 173.522 0.577 18224 3245 1 10 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.295 1.250 18224 3246 1 10 . 1 1 12 12 GLY H H 12 7.792 7.792 8.061 -0.269 18224 3247 1 10 . 1 1 13 13 ALA N N 13 123.072 123.072 127.121 -4.049 18224 3248 1 10 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.285 -0.010 18224 3249 1 10 . 1 1 13 13 ALA C C 13 177.669 177.669 176.882 0.787 18224 3250 1 10 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.819 1.151 18224 3251 1 10 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.103 1.187 18224 3252 1 10 . 1 1 13 13 ALA H H 13 7.880 7.880 8.394 -0.514 18224 3253 1 10 . 1 1 14 14 ASP N N 14 117.540 117.540 122.641 -5.101 18224 3254 1 10 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.318 0.331 18224 3255 1 10 . 1 1 14 14 ASP C C 14 175.649 175.649 175.508 0.141 18224 3256 1 10 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.915 -0.951 18224 3257 1 10 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.530 0.153 18224 3258 1 10 . 1 1 14 14 ASP H H 14 8.281 8.281 8.404 -0.123 18224 3259 1 10 . 1 1 15 15 ASN N N 15 118.400 118.400 121.753 -3.353 18224 3260 1 10 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.638 0.048 18224 3261 1 10 . 1 1 15 15 ASN C C 15 175.351 175.351 175.839 -0.488 18224 3262 1 10 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.742 -0.134 18224 3263 1 10 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.375 -0.433 18224 3264 1 10 . 1 1 15 15 ASN H H 15 8.137 8.137 8.512 -0.375 18224 3265 1 10 . 1 1 16 16 GLN N N 16 120.072 120.072 120.423 -0.351 18224 3266 1 10 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.296 0.064 18224 3267 1 10 . 1 1 16 16 GLN C C 16 176.206 176.206 175.991 0.215 18224 3268 1 10 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.302 0.100 18224 3269 1 10 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.331 0.838 18224 3270 1 10 . 1 1 16 16 GLN H H 16 8.284 8.284 8.295 -0.011 18224 3271 1 10 . 1 1 17 17 SER N N 17 116.112 116.112 116.616 -0.504 18224 3272 1 10 . 1 1 17 17 SER HA H 17 4.440 4.440 4.361 0.079 18224 3273 1 10 . 1 1 17 17 SER C C 17 174.568 174.568 173.588 0.980 18224 3274 1 10 . 1 1 17 17 SER CA C 17 58.911 58.911 57.326 1.585 18224 3275 1 10 . 1 1 17 17 SER CB C 17 63.897 63.897 62.276 1.621 18224 3276 1 10 . 1 1 17 17 SER H H 17 8.211 8.211 8.107 0.104 18224 3277 1 10 . 1 1 18 18 GLU N N 18 121.378 121.378 125.418 -4.040 18224 3278 1 10 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.440 -0.061 18224 3279 1 10 . 1 1 18 18 GLU C C 18 175.934 175.934 175.441 0.493 18224 3280 1 10 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.079 0.327 18224 3281 1 10 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.160 -1.027 18224 3282 1 10 . 1 1 18 18 GLU H H 18 8.262 8.262 8.061 0.201 18224 3283 1 10 . 1 1 19 19 CYS N N 19 119.418 119.418 123.528 -4.110 18224 3284 1 10 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.688 -0.244 18224 3285 1 10 . 1 1 19 19 CYS C C 19 174.568 174.568 173.684 0.884 18224 3286 1 10 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.573 0.266 18224 3287 1 10 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.678 -2.705 18224 3288 1 10 . 1 1 19 19 CYS H H 19 8.182 8.182 8.521 -0.339 18224 3289 1 10 . 1 1 20 20 GLU N N 20 122.737 122.737 117.309 5.428 18224 3290 1 10 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.856 0.451 18224 3291 1 10 . 1 1 20 20 GLU C C 20 176.083 176.083 175.439 0.644 18224 3292 1 10 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.819 -1.279 18224 3293 1 10 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.211 -0.345 18224 3294 1 10 . 1 1 20 20 GLU H H 20 8.303 8.303 8.564 -0.261 18224 3295 1 10 . 1 1 21 21 TYR N N 21 119.549 119.549 112.147 7.402 18224 3296 1 10 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.294 0.180 18224 3297 1 10 . 1 1 21 21 TYR C C 21 175.826 175.826 174.114 1.712 18224 3298 1 10 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.108 0.563 18224 3299 1 10 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.100 0.489 18224 3300 1 10 . 1 1 21 21 TYR H H 21 7.888 7.888 7.790 0.098 18224 3301 1 10 . 1 1 22 22 THR N N 22 112.218 112.218 112.832 -0.614 18224 3302 1 10 . 1 1 22 22 THR HA H 22 4.163 4.163 3.357 0.806 18224 3303 1 10 . 1 1 22 22 THR C C 22 174.737 174.737 173.796 0.941 18224 3304 1 10 . 1 1 22 22 THR CA C 22 62.778 62.778 63.922 -1.144 18224 3305 1 10 . 1 1 22 22 THR CB C 22 69.531 69.531 69.199 0.332 18224 3306 1 10 . 1 1 22 22 THR H H 22 7.683 7.683 7.162 0.521 18224 3307 1 10 . 1 1 23 23 ASP N N 23 121.090 121.090 120.119 0.971 18224 3308 1 10 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.709 0.002 18224 3309 1 10 . 1 1 23 23 ASP C C 23 176.279 176.279 177.305 -1.026 18224 3310 1 10 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.388 0.722 18224 3311 1 10 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.611 -1.273 18224 3312 1 10 . 1 1 23 23 ASP H H 23 8.059 8.059 7.897 0.162 18224 3313 1 10 . 1 1 24 24 TRP N N 24 121.546 121.546 121.020 0.526 18224 3314 1 10 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.426 0.060 18224 3315 1 10 . 1 1 24 24 TRP C C 24 177.051 177.051 177.279 -0.228 18224 3316 1 10 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.633 1.195 18224 3317 1 10 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.226 0.843 18224 3318 1 10 . 1 1 24 24 TRP H H 24 7.888 7.888 7.141 0.747 18224 3319 1 10 . 1 1 25 25 LYS N N 25 120.106 120.106 119.774 0.332 18224 3320 1 10 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.428 -0.438 18224 3321 1 10 . 1 1 25 25 LYS C C 25 176.764 176.764 176.293 0.471 18224 3322 1 10 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.688 1.034 18224 3323 1 10 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.553 1.748 18224 3324 1 10 . 1 1 25 25 LYS H H 25 7.620 7.620 8.006 -0.386 18224 3325 1 10 . 1 1 26 26 SER N N 26 114.114 114.114 118.575 -4.461 18224 3326 1 10 . 1 1 26 26 SER HA H 26 4.471 4.471 4.523 -0.052 18224 3327 1 10 . 1 1 26 26 SER C C 26 175.124 175.124 174.720 0.404 18224 3328 1 10 . 1 1 26 26 SER CA C 26 58.757 58.757 58.584 0.173 18224 3329 1 10 . 1 1 26 26 SER CB C 26 63.812 63.812 63.947 -0.135 18224 3330 1 10 . 1 1 26 26 SER H H 26 7.796 7.796 8.209 -0.413 18224 3331 1 10 . 1 1 27 27 SER N N 27 116.655 116.655 114.902 1.753 18224 3332 1 10 . 1 1 27 27 SER HA H 27 4.386 4.386 4.227 0.159 18224 3333 1 10 . 1 1 27 27 SER C C 27 175.505 175.505 175.274 0.231 18224 3334 1 10 . 1 1 27 27 SER CA C 27 59.611 59.611 59.336 0.276 18224 3335 1 10 . 1 1 27 27 SER CB C 27 64.117 64.117 62.049 2.068 18224 3336 1 10 . 1 1 27 27 SER H H 27 8.046 8.046 8.514 -0.468 18224 3337 1 10 . 1 1 28 28 GLY N N 28 111.049 111.049 107.260 3.789 18224 3338 1 10 . 1 1 28 28 GLY C C 28 174.495 174.495 172.962 1.533 18224 3339 1 10 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.953 1.168 18224 3340 1 10 . 1 1 28 28 GLY H H 28 8.304 8.304 8.170 0.134 18224 3341 1 10 . 1 1 29 29 ALA N N 29 121.693 121.693 121.262 0.431 18224 3342 1 10 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.595 -0.246 18224 3343 1 10 . 1 1 29 29 ALA C C 29 177.695 177.695 177.152 0.543 18224 3344 1 10 . 1 1 29 29 ALA CA C 29 53.111 53.111 51.818 1.294 18224 3345 1 10 . 1 1 29 29 ALA CB C 29 19.964 19.964 19.385 0.579 18224 3346 1 10 . 1 1 29 29 ALA H H 29 7.941 7.941 7.721 0.220 18224 3347 1 10 . 1 1 30 30 LEU N N 30 117.996 117.996 120.480 -2.484 18224 3348 1 10 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.012 0.170 18224 3349 1 10 . 1 1 30 30 LEU C C 30 177.484 177.484 177.908 -0.424 18224 3350 1 10 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.720 0.250 18224 3351 1 10 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.037 0.385 18224 3352 1 10 . 1 1 30 30 LEU H H 30 7.968 7.968 7.795 0.173 18224 3353 1 10 . 1 1 31 31 ILE N N 31 117.106 117.106 116.636 0.470 18224 3354 1 10 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.394 -0.455 18224 3355 1 10 . 1 1 31 31 ILE C C 31 174.998 174.998 175.469 -0.471 18224 3356 1 10 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.306 3.616 18224 3357 1 10 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.858 -0.750 18224 3358 1 10 . 1 1 31 31 ILE H H 31 8.027 8.027 8.069 -0.042 18224 3359 1 10 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.348 -0.064 18224 3360 1 10 . 1 1 32 32 PRO C C 32 178.663 178.663 177.395 1.268 18224 3361 1 10 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.446 0.547 18224 3362 1 10 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.659 0.397 18224 3363 1 10 . 1 1 33 33 ALA N N 33 119.031 119.031 119.463 -0.432 18224 3364 1 10 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.166 0.000 18224 3365 1 10 . 1 1 33 33 ALA C C 33 178.942 178.942 178.804 0.138 18224 3366 1 10 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.417 1.123 18224 3367 1 10 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.758 -0.273 18224 3368 1 10 . 1 1 33 33 ALA H H 33 7.580 7.580 7.610 -0.030 18224 3369 1 10 . 1 1 34 34 ILE N N 34 117.923 117.923 118.440 -0.517 18224 3370 1 10 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.967 -0.268 18224 3371 1 10 . 1 1 34 34 ILE C C 34 177.833 177.833 177.384 0.449 18224 3372 1 10 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.755 1.357 18224 3373 1 10 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.338 -0.987 18224 3374 1 10 . 1 1 34 34 ILE H H 34 8.234 8.234 7.904 0.330 18224 3375 1 10 . 1 1 35 35 TYR N N 35 118.746 118.746 121.077 -2.331 18224 3376 1 10 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.183 -0.068 18224 3377 1 10 . 1 1 35 35 TYR C C 35 178.044 178.044 177.037 1.007 18224 3378 1 10 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.461 -0.703 18224 3379 1 10 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.773 -0.758 18224 3380 1 10 . 1 1 35 35 TYR H H 35 8.355 8.355 7.716 0.639 18224 3381 1 10 . 1 1 36 36 MET N N 36 117.813 117.813 117.295 0.518 18224 3382 1 10 . 1 1 36 36 MET HA H 36 4.281 4.281 4.410 -0.129 18224 3383 1 10 . 1 1 36 36 MET C C 36 178.139 178.139 178.005 0.134 18224 3384 1 10 . 1 1 36 36 MET CA C 36 58.482 58.482 58.663 -0.181 18224 3385 1 10 . 1 1 36 36 MET CB C 36 31.716 31.716 33.032 -1.316 18224 3386 1 10 . 1 1 36 36 MET H H 36 8.107 8.107 7.719 0.388 18224 3387 1 10 . 1 1 37 37 LEU N N 37 120.311 120.311 121.133 -0.822 18224 3388 1 10 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.100 -0.025 18224 3389 1 10 . 1 1 37 37 LEU C C 37 178.399 178.399 178.038 0.361 18224 3390 1 10 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.135 0.335 18224 3391 1 10 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.836 0.117 18224 3392 1 10 . 1 1 37 37 LEU H H 37 8.229 8.229 7.747 0.482 18224 3393 1 10 . 1 1 38 38 VAL N N 38 118.080 118.080 116.256 1.824 18224 3394 1 10 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.895 -0.370 18224 3395 1 10 . 1 1 38 38 VAL C C 38 178.139 178.139 176.503 1.636 18224 3396 1 10 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.292 2.860 18224 3397 1 10 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.909 -0.459 18224 3398 1 10 . 1 1 38 38 VAL H H 38 8.363 8.363 7.636 0.727 18224 3399 1 10 . 1 1 39 39 PHE N N 39 120.151 120.151 119.801 0.350 18224 3400 1 10 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.418 -0.195 18224 3401 1 10 . 1 1 39 39 PHE C C 39 178.544 178.544 177.295 1.249 18224 3402 1 10 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.701 0.625 18224 3403 1 10 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.266 -1.350 18224 3404 1 10 . 1 1 39 39 PHE H H 39 8.306 8.306 7.751 0.555 18224 3405 1 10 . 1 1 40 40 LEU N N 40 121.004 121.004 117.781 3.223 18224 3406 1 10 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.121 -0.098 18224 3407 1 10 . 1 1 40 40 LEU C C 40 179.704 179.704 177.898 1.806 18224 3408 1 10 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.072 0.866 18224 3409 1 10 . 1 1 40 40 LEU CB C 40 42.292 42.292 40.985 1.307 18224 3410 1 10 . 1 1 40 40 LEU H H 40 8.567 8.567 8.373 0.194 18224 3411 1 10 . 1 1 41 41 LEU N N 41 119.593 119.593 117.100 2.493 18224 3412 1 10 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.154 -0.093 18224 3413 1 10 . 1 1 41 41 LEU C C 41 178.966 178.966 177.364 1.602 18224 3414 1 10 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.109 2.587 18224 3415 1 10 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.124 -0.332 18224 3416 1 10 . 1 1 41 41 LEU H H 41 8.503 8.503 7.842 0.661 18224 3417 1 10 . 1 1 42 42 GLY N N 42 105.838 105.838 104.071 1.767 18224 3418 1 10 . 1 1 42 42 GLY C C 42 175.587 175.587 173.724 1.863 18224 3419 1 10 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.325 1.246 18224 3420 1 10 . 1 1 42 42 GLY H H 42 8.355 8.355 8.007 0.348 18224 3421 1 10 . 1 1 43 43 THR N N 43 112.333 112.333 113.872 -1.539 18224 3422 1 10 . 1 1 43 43 THR HA H 43 4.290 4.290 4.558 -0.268 18224 3423 1 10 . 1 1 43 43 THR C C 43 175.765 175.765 173.856 1.909 18224 3424 1 10 . 1 1 43 43 THR CA C 43 63.680 63.680 60.736 2.944 18224 3425 1 10 . 1 1 43 43 THR CB C 43 69.626 69.626 69.580 0.046 18224 3426 1 10 . 1 1 43 43 THR H H 43 7.895 7.895 7.451 0.444 18224 3427 1 10 . 1 1 44 44 THR N N 44 112.041 112.041 113.733 -1.692 18224 3428 1 10 . 1 1 44 44 THR HA H 44 4.388 4.388 3.956 0.432 18224 3429 1 10 . 1 1 44 44 THR C C 44 175.555 175.555 174.894 0.661 18224 3430 1 10 . 1 1 44 44 THR CA C 44 62.732 62.732 64.465 -1.733 18224 3431 1 10 . 1 1 44 44 THR CB C 44 70.240 70.240 67.728 2.512 18224 3432 1 10 . 1 1 44 44 THR H H 44 7.684 7.684 8.147 -0.463 18224 3433 1 10 . 1 1 45 45 GLY N N 45 109.756 109.756 110.303 -0.547 18224 3434 1 10 . 1 1 45 45 GLY C C 45 174.948 174.948 173.320 1.628 18224 3435 1 10 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.236 1.116 18224 3436 1 10 . 1 1 45 45 GLY H H 45 8.058 8.058 8.384 -0.326 18224 3437 1 10 . 1 1 46 46 ASN N N 46 117.561 117.561 117.534 0.027 18224 3438 1 10 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.374 0.471 18224 3439 1 10 . 1 1 46 46 ASN C C 46 175.853 175.853 174.314 1.539 18224 3440 1 10 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.920 0.172 18224 3441 1 10 . 1 1 46 46 ASN CB C 46 39.513 39.513 36.954 2.559 18224 3442 1 10 . 1 1 46 46 ASN H H 46 8.202 8.202 8.328 -0.126 18224 3443 1 10 . 1 1 47 47 GLY N N 47 108.715 108.715 105.577 3.138 18224 3444 1 10 . 1 1 47 47 GLY C C 47 174.431 174.431 174.126 0.305 18224 3445 1 10 . 1 1 47 47 GLY CA C 47 47.161 47.161 44.598 2.563 18224 3446 1 10 . 1 1 47 47 GLY H H 47 8.600 8.600 7.927 0.673 18224 3447 1 10 . 1 1 48 48 LEU N N 48 120.089 120.089 120.177 -0.088 18224 3448 1 10 . 1 1 48 48 LEU HA H 48 4.319 4.319 3.937 0.382 18224 3449 1 10 . 1 1 48 48 LEU C C 48 179.243 179.243 176.478 2.765 18224 3450 1 10 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.216 1.100 18224 3451 1 10 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.884 -0.046 18224 3452 1 10 . 1 1 48 48 LEU H H 48 8.003 8.003 8.120 -0.117 18224 3453 1 10 . 1 1 49 49 VAL N N 49 120.573 120.573 117.378 3.195 18224 3454 1 10 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.915 -0.094 18224 3455 1 10 . 1 1 49 49 VAL C C 49 177.520 177.520 177.577 -0.057 18224 3456 1 10 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.044 1.018 18224 3457 1 10 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.921 -0.433 18224 3458 1 10 . 1 1 49 49 VAL H H 49 7.910 7.910 7.582 0.328 18224 3459 1 10 . 1 1 50 50 LEU N N 50 119.718 119.718 115.775 3.943 18224 3460 1 10 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.177 -0.150 18224 3461 1 10 . 1 1 50 50 LEU C C 50 178.169 178.169 178.115 0.054 18224 3462 1 10 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.339 0.713 18224 3463 1 10 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.247 1.494 18224 3464 1 10 . 1 1 50 50 LEU H H 50 7.860 7.860 8.057 -0.197 18224 3465 1 10 . 1 1 51 51 TRP N N 51 118.071 118.071 120.577 -2.506 18224 3466 1 10 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.713 -0.171 18224 3467 1 10 . 1 1 51 51 TRP C C 51 177.296 177.296 177.601 -0.305 18224 3468 1 10 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.617 0.301 18224 3469 1 10 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.356 0.619 18224 3470 1 10 . 1 1 51 51 TRP H H 51 8.109 8.109 7.947 0.162 18224 3471 1 10 . 1 1 52 52 THR N N 52 113.243 113.243 116.055 -2.812 18224 3472 1 10 . 1 1 52 52 THR HA H 52 3.773 3.773 3.894 -0.121 18224 3473 1 10 . 1 1 52 52 THR C C 52 176.402 176.402 176.083 0.319 18224 3474 1 10 . 1 1 52 52 THR CA C 52 66.690 66.690 66.111 0.579 18224 3475 1 10 . 1 1 52 52 THR CB C 52 68.921 68.921 68.792 0.129 18224 3476 1 10 . 1 1 52 52 THR H H 52 8.072 8.072 7.990 0.082 18224 3477 1 10 . 1 1 53 53 VAL N N 53 120.307 120.307 121.704 -1.397 18224 3478 1 10 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.745 -0.082 18224 3479 1 10 . 1 1 53 53 VAL C C 53 177.362 177.362 176.956 0.406 18224 3480 1 10 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.719 0.574 18224 3481 1 10 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.370 0.347 18224 3482 1 10 . 1 1 53 53 VAL H H 53 8.006 8.006 7.436 0.570 18224 3483 1 10 . 1 1 54 54 PHE N N 54 119.041 119.041 118.968 0.073 18224 3484 1 10 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.090 0.138 18224 3485 1 10 . 1 1 54 54 PHE C C 54 177.476 177.476 176.271 1.205 18224 3486 1 10 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.477 0.415 18224 3487 1 10 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.631 -0.035 18224 3488 1 10 . 1 1 54 54 PHE H H 54 8.143 8.143 7.632 0.511 18224 3489 1 10 . 1 1 55 55 ARG N N 55 117.543 117.543 118.697 -1.154 18224 3490 1 10 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.103 0.760 18224 3491 1 10 . 1 1 55 55 ARG C C 55 177.832 177.832 178.029 -0.197 18224 3492 1 10 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.933 -0.227 18224 3493 1 10 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.831 -0.355 18224 3494 1 10 . 1 1 55 55 ARG H H 55 8.112 8.112 7.075 1.037 18224 3495 1 10 . 1 1 56 56 LYS N N 56 118.390 118.390 118.532 -0.142 18224 3496 1 10 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.883 0.280 18224 3497 1 10 . 1 1 56 56 LYS C C 56 177.400 177.400 179.166 -1.766 18224 3498 1 10 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.875 -1.165 18224 3499 1 10 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.239 0.541 18224 3500 1 10 . 1 1 56 56 LYS H H 56 7.789 7.789 7.794 -0.005 18224 3501 1 10 . 1 1 57 57 LYS N N 57 118.190 118.190 119.021 -0.831 18224 3502 1 10 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.441 -0.182 18224 3503 1 10 . 1 1 57 57 LYS C C 57 176.791 176.791 177.340 -0.549 18224 3504 1 10 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.482 0.943 18224 3505 1 10 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.232 2.591 18224 3506 1 10 . 1 1 57 57 LYS H H 57 7.821 7.821 7.971 -0.150 18224 3507 1 10 . 1 1 58 58 GLY N N 58 107.289 107.289 108.622 -1.333 18224 3508 1 10 . 1 1 58 58 GLY C C 58 173.607 173.607 175.214 -1.607 18224 3509 1 10 . 1 1 58 58 GLY CA C 58 45.474 45.474 47.037 -1.563 18224 3510 1 10 . 1 1 58 58 GLY H H 58 7.927 7.927 8.052 -0.125 18224 3511 1 10 . 1 1 59 59 HIS N N 59 116.847 116.847 118.211 -1.364 18224 3512 1 10 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.351 0.342 18224 3513 1 10 . 1 1 59 59 HIS C C 59 174.153 174.153 175.247 -1.094 18224 3514 1 10 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.214 -2.056 18224 3515 1 10 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.114 -1.199 18224 3516 1 10 . 1 1 59 59 HIS H H 59 8.120 8.120 7.142 0.978 18224 3517 1 10 . 1 1 60 60 HIS N N 60 118.028 118.028 118.653 -0.625 18224 3518 1 10 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.206 0.486 18224 3519 1 10 . 1 1 60 60 HIS C C 60 173.987 173.987 173.520 0.467 18224 3520 1 10 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.641 -1.133 18224 3521 1 10 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.058 -0.233 18224 3522 1 10 . 1 1 60 60 HIS H H 60 8.328 8.328 8.069 0.259 18224 3523 1 10 . 1 1 61 61 HIS N N 61 118.101 118.101 123.332 -5.231 18224 3524 1 10 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.794 -0.104 18224 3525 1 10 . 1 1 61 61 HIS C C 61 174.032 174.032 174.790 -0.758 18224 3526 1 10 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.306 0.412 18224 3527 1 10 . 1 1 61 61 HIS CB C 61 28.895 28.895 32.308 -3.413 18224 3528 1 10 . 1 1 61 61 HIS H H 61 8.351 8.351 8.106 0.245 18224 3529 1 10 . 1 1 62 62 HIS N N 62 118.704 118.704 123.391 -4.687 18224 3530 1 10 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.472 0.229 18224 3531 1 10 . 1 1 62 62 HIS C C 62 173.803 173.803 174.873 -1.070 18224 3532 1 10 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.730 -1.126 18224 3533 1 10 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.068 0.095 18224 3534 1 10 . 1 1 62 62 HIS H H 62 8.381 8.381 8.710 -0.329 18224 3535 1 10 . 1 1 63 63 HIS N N 63 118.853 118.853 123.861 -5.008 18224 3536 1 10 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.635 0.046 18224 3537 1 10 . 1 1 63 63 HIS C C 63 173.576 173.576 175.009 -1.433 18224 3538 1 10 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.032 0.666 18224 3539 1 10 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.969 -0.836 18224 3540 1 10 . 1 1 63 63 HIS H H 63 8.299 8.299 8.442 -0.143 18224 3541 1 11 . 1 1 2 2 GLU N N 2 122.762 122.762 121.979 0.783 18224 3542 1 11 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.461 -0.023 18224 3543 1 11 . 1 1 2 2 GLU C C 2 175.581 175.581 175.532 0.049 18224 3544 1 11 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.335 0.025 18224 3545 1 11 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.227 0.355 18224 3546 1 11 . 1 1 2 2 GLU H H 2 8.628 8.628 8.511 0.117 18224 3547 1 11 . 1 1 3 3 GLU N N 3 121.071 121.071 121.713 -0.642 18224 3548 1 11 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.555 -0.174 18224 3549 1 11 . 1 1 3 3 GLU C C 3 176.457 176.457 176.079 0.378 18224 3550 1 11 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.922 -0.574 18224 3551 1 11 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.645 -0.446 18224 3552 1 11 . 1 1 3 3 GLU H H 3 8.393 8.393 8.337 0.056 18224 3553 1 11 . 1 1 4 4 GLY N N 4 109.717 109.717 109.542 0.175 18224 3554 1 11 . 1 1 4 4 GLY C C 4 174.677 174.677 174.330 0.347 18224 3555 1 11 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.218 0.423 18224 3556 1 11 . 1 1 4 4 GLY H H 4 8.377 8.377 8.562 -0.185 18224 3557 1 11 . 1 1 5 5 GLY N N 5 108.373 108.373 110.437 -2.064 18224 3558 1 11 . 1 1 5 5 GLY C C 5 174.047 174.047 173.271 0.776 18224 3559 1 11 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.963 0.609 18224 3560 1 11 . 1 1 5 5 GLY H H 5 8.115 8.115 8.215 -0.100 18224 3561 1 11 . 1 1 6 6 ASP N N 6 118.996 118.996 119.143 -0.147 18224 3562 1 11 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.830 -0.181 18224 3563 1 11 . 1 1 6 6 ASP C C 6 175.903 175.903 175.657 0.246 18224 3564 1 11 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.770 0.275 18224 3565 1 11 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.547 -3.203 18224 3566 1 11 . 1 1 6 6 ASP H H 6 8.166 8.166 8.233 -0.067 18224 3567 1 11 . 1 1 7 7 PHE N N 7 119.750 119.750 122.342 -2.592 18224 3568 1 11 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.389 0.161 18224 3569 1 11 . 1 1 7 7 PHE C C 7 175.919 175.919 176.807 -0.888 18224 3570 1 11 . 1 1 7 7 PHE CA C 7 58.932 58.932 59.593 -0.661 18224 3571 1 11 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.636 -0.456 18224 3572 1 11 . 1 1 7 7 PHE H H 7 8.151 8.151 8.489 -0.338 18224 3573 1 11 . 1 1 8 8 ASP N N 8 118.526 118.526 121.587 -3.061 18224 3574 1 11 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.788 -0.290 18224 3575 1 11 . 1 1 8 8 ASP C C 8 175.787 175.787 175.001 0.786 18224 3576 1 11 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.121 0.514 18224 3577 1 11 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.832 -1.629 18224 3578 1 11 . 1 1 8 8 ASP H H 8 8.161 8.161 8.555 -0.394 18224 3579 1 11 . 1 1 9 9 ASN N N 9 117.291 117.291 118.588 -1.297 18224 3580 1 11 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.807 -0.236 18224 3581 1 11 . 1 1 9 9 ASN C C 9 175.142 175.142 174.176 0.966 18224 3582 1 11 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.388 0.546 18224 3583 1 11 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.510 0.282 18224 3584 1 11 . 1 1 9 9 ASN H H 9 8.013 8.013 8.209 -0.196 18224 3585 1 11 . 1 1 10 10 TYR N N 10 119.112 119.112 120.511 -1.399 18224 3586 1 11 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.024 0.422 18224 3587 1 11 . 1 1 10 10 TYR C C 10 175.513 175.513 176.396 -0.883 18224 3588 1 11 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.491 0.483 18224 3589 1 11 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.630 0.253 18224 3590 1 11 . 1 1 10 10 TYR H H 10 7.848 7.848 8.083 -0.235 18224 3591 1 11 . 1 1 11 11 TYR N N 11 119.438 119.438 118.854 0.584 18224 3592 1 11 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.423 0.084 18224 3593 1 11 . 1 1 11 11 TYR C C 11 175.939 175.939 176.258 -0.319 18224 3594 1 11 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.595 0.702 18224 3595 1 11 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.691 0.276 18224 3596 1 11 . 1 1 11 11 TYR H H 11 7.849 7.849 7.520 0.329 18224 3597 1 11 . 1 1 12 12 GLY N N 12 109.685 109.685 109.293 0.392 18224 3598 1 11 . 1 1 12 12 GLY C C 12 174.099 174.099 173.535 0.564 18224 3599 1 11 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.281 1.264 18224 3600 1 11 . 1 1 12 12 GLY H H 12 7.792 7.792 8.397 -0.605 18224 3601 1 11 . 1 1 13 13 ALA N N 13 123.072 123.072 122.523 0.549 18224 3602 1 11 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.136 0.139 18224 3603 1 11 . 1 1 13 13 ALA C C 13 177.669 177.669 176.724 0.945 18224 3604 1 11 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.862 0.108 18224 3605 1 11 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.973 1.317 18224 3606 1 11 . 1 1 13 13 ALA H H 13 7.880 7.880 8.077 -0.197 18224 3607 1 11 . 1 1 14 14 ASP N N 14 117.540 117.540 119.571 -2.031 18224 3608 1 11 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.752 -0.103 18224 3609 1 11 . 1 1 14 14 ASP C C 14 175.649 175.649 174.831 0.818 18224 3610 1 11 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.060 -0.096 18224 3611 1 11 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.677 -1.994 18224 3612 1 11 . 1 1 14 14 ASP H H 14 8.281 8.281 8.510 -0.229 18224 3613 1 11 . 1 1 15 15 ASN N N 15 118.400 118.400 118.349 0.051 18224 3614 1 11 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.949 -0.263 18224 3615 1 11 . 1 1 15 15 ASN C C 15 175.351 175.351 175.433 -0.082 18224 3616 1 11 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.160 0.448 18224 3617 1 11 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.200 -0.258 18224 3618 1 11 . 1 1 15 15 ASN H H 15 8.137 8.137 8.125 0.012 18224 3619 1 11 . 1 1 16 16 GLN N N 16 120.072 120.072 117.988 2.084 18224 3620 1 11 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.341 0.019 18224 3621 1 11 . 1 1 16 16 GLN C C 16 176.206 176.206 175.231 0.975 18224 3622 1 11 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.849 -0.447 18224 3623 1 11 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.277 0.892 18224 3624 1 11 . 1 1 16 16 GLN H H 16 8.284 8.284 8.360 -0.076 18224 3625 1 11 . 1 1 17 17 SER N N 17 116.112 116.112 114.834 1.278 18224 3626 1 11 . 1 1 17 17 SER HA H 17 4.440 4.440 4.583 -0.143 18224 3627 1 11 . 1 1 17 17 SER C C 17 174.568 174.568 173.339 1.229 18224 3628 1 11 . 1 1 17 17 SER CA C 17 58.911 58.911 56.860 2.051 18224 3629 1 11 . 1 1 17 17 SER CB C 17 63.897 63.897 64.757 -0.860 18224 3630 1 11 . 1 1 17 17 SER H H 17 8.211 8.211 7.700 0.511 18224 3631 1 11 . 1 1 18 18 GLU N N 18 121.378 121.378 122.018 -0.640 18224 3632 1 11 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.280 0.099 18224 3633 1 11 . 1 1 18 18 GLU C C 18 175.934 175.934 175.421 0.513 18224 3634 1 11 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.925 -0.519 18224 3635 1 11 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.393 0.740 18224 3636 1 11 . 1 1 18 18 GLU H H 18 8.262 8.262 8.603 -0.341 18224 3637 1 11 . 1 1 19 19 CYS N N 19 119.418 119.418 120.733 -1.315 18224 3638 1 11 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.664 -0.220 18224 3639 1 11 . 1 1 19 19 CYS C C 19 174.568 174.568 174.045 0.523 18224 3640 1 11 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.257 1.582 18224 3641 1 11 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.278 -2.305 18224 3642 1 11 . 1 1 19 19 CYS H H 19 8.182 8.182 8.406 -0.224 18224 3643 1 11 . 1 1 20 20 GLU N N 20 122.737 122.737 117.960 4.777 18224 3644 1 11 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.883 0.424 18224 3645 1 11 . 1 1 20 20 GLU C C 20 176.083 176.083 176.000 0.083 18224 3646 1 11 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.248 -1.708 18224 3647 1 11 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.490 -0.624 18224 3648 1 11 . 1 1 20 20 GLU H H 20 8.303 8.303 8.917 -0.614 18224 3649 1 11 . 1 1 21 21 TYR N N 21 119.549 119.549 114.186 5.363 18224 3650 1 11 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.291 0.183 18224 3651 1 11 . 1 1 21 21 TYR C C 21 175.826 175.826 173.790 2.036 18224 3652 1 11 . 1 1 21 21 TYR CA C 21 58.671 58.671 57.822 0.849 18224 3653 1 11 . 1 1 21 21 TYR CB C 21 38.589 38.589 36.989 1.600 18224 3654 1 11 . 1 1 21 21 TYR H H 21 7.888 7.888 8.444 -0.556 18224 3655 1 11 . 1 1 22 22 THR N N 22 112.218 112.218 112.721 -0.503 18224 3656 1 11 . 1 1 22 22 THR HA H 22 4.163 4.163 2.780 1.383 18224 3657 1 11 . 1 1 22 22 THR C C 22 174.737 174.737 173.399 1.338 18224 3658 1 11 . 1 1 22 22 THR CA C 22 62.778 62.778 62.891 -0.113 18224 3659 1 11 . 1 1 22 22 THR CB C 22 69.531 69.531 69.125 0.406 18224 3660 1 11 . 1 1 22 22 THR H H 22 7.683 7.683 7.227 0.456 18224 3661 1 11 . 1 1 23 23 ASP N N 23 121.090 121.090 119.964 1.126 18224 3662 1 11 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.487 0.224 18224 3663 1 11 . 1 1 23 23 ASP C C 23 176.279 176.279 177.665 -1.386 18224 3664 1 11 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.616 0.494 18224 3665 1 11 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.090 -0.752 18224 3666 1 11 . 1 1 23 23 ASP H H 23 8.059 8.059 7.349 0.710 18224 3667 1 11 . 1 1 24 24 TRP N N 24 121.546 121.546 121.698 -0.152 18224 3668 1 11 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.316 0.170 18224 3669 1 11 . 1 1 24 24 TRP C C 24 177.051 177.051 177.576 -0.525 18224 3670 1 11 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.861 -0.033 18224 3671 1 11 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.815 1.253 18224 3672 1 11 . 1 1 24 24 TRP H H 24 7.888 7.888 7.047 0.841 18224 3673 1 11 . 1 1 25 25 LYS N N 25 120.106 120.106 120.689 -0.583 18224 3674 1 11 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.437 -0.447 18224 3675 1 11 . 1 1 25 25 LYS C C 25 176.764 176.764 175.927 0.837 18224 3676 1 11 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.059 0.663 18224 3677 1 11 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.183 2.118 18224 3678 1 11 . 1 1 25 25 LYS H H 25 7.620 7.620 8.285 -0.665 18224 3679 1 11 . 1 1 26 26 SER N N 26 114.114 114.114 116.039 -1.925 18224 3680 1 11 . 1 1 26 26 SER HA H 26 4.471 4.471 4.540 -0.069 18224 3681 1 11 . 1 1 26 26 SER C C 26 175.124 175.124 175.220 -0.096 18224 3682 1 11 . 1 1 26 26 SER CA C 26 58.757 58.757 60.084 -1.327 18224 3683 1 11 . 1 1 26 26 SER CB C 26 63.812 63.812 64.227 -0.415 18224 3684 1 11 . 1 1 26 26 SER H H 26 7.796 7.796 8.244 -0.448 18224 3685 1 11 . 1 1 27 27 SER N N 27 116.655 116.655 113.402 3.253 18224 3686 1 11 . 1 1 27 27 SER HA H 27 4.386 4.386 4.486 -0.100 18224 3687 1 11 . 1 1 27 27 SER C C 27 175.505 175.505 175.355 0.150 18224 3688 1 11 . 1 1 27 27 SER CA C 27 59.611 59.611 59.191 0.421 18224 3689 1 11 . 1 1 27 27 SER CB C 27 64.117 64.117 64.147 -0.031 18224 3690 1 11 . 1 1 27 27 SER H H 27 8.046 8.046 8.222 -0.176 18224 3691 1 11 . 1 1 28 28 GLY N N 28 111.049 111.049 111.359 -0.310 18224 3692 1 11 . 1 1 28 28 GLY C C 28 174.495 174.495 174.883 -0.388 18224 3693 1 11 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.634 -0.513 18224 3694 1 11 . 1 1 28 28 GLY H H 28 8.304 8.304 8.617 -0.313 18224 3695 1 11 . 1 1 29 29 ALA N N 29 121.693 121.693 121.329 0.364 18224 3696 1 11 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.227 0.122 18224 3697 1 11 . 1 1 29 29 ALA C C 29 177.695 177.695 176.975 0.720 18224 3698 1 11 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.238 0.873 18224 3699 1 11 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.452 1.512 18224 3700 1 11 . 1 1 29 29 ALA H H 29 7.941 7.941 8.274 -0.333 18224 3701 1 11 . 1 1 30 30 LEU N N 30 117.996 117.996 119.948 -1.952 18224 3702 1 11 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.485 -0.303 18224 3703 1 11 . 1 1 30 30 LEU C C 30 177.484 177.484 175.969 1.515 18224 3704 1 11 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.935 3.035 18224 3705 1 11 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.944 0.478 18224 3706 1 11 . 1 1 30 30 LEU H H 30 7.968 7.968 7.541 0.427 18224 3707 1 11 . 1 1 31 31 ILE N N 31 117.106 117.106 118.600 -1.494 18224 3708 1 11 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.311 -0.372 18224 3709 1 11 . 1 1 31 31 ILE C C 31 174.998 174.998 174.497 0.501 18224 3710 1 11 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.062 2.860 18224 3711 1 11 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.281 -1.173 18224 3712 1 11 . 1 1 31 31 ILE H H 31 8.027 8.027 7.513 0.514 18224 3713 1 11 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.471 -0.187 18224 3714 1 11 . 1 1 32 32 PRO C C 32 178.663 178.663 178.017 0.646 18224 3715 1 11 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.083 -0.090 18224 3716 1 11 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.350 -0.294 18224 3717 1 11 . 1 1 33 33 ALA N N 33 119.031 119.031 117.420 1.611 18224 3718 1 11 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.198 -0.032 18224 3719 1 11 . 1 1 33 33 ALA C C 33 178.942 178.942 178.562 0.380 18224 3720 1 11 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.238 1.302 18224 3721 1 11 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.382 0.103 18224 3722 1 11 . 1 1 33 33 ALA H H 33 7.580 7.580 8.560 -0.980 18224 3723 1 11 . 1 1 34 34 ILE N N 34 117.923 117.923 116.533 1.390 18224 3724 1 11 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.142 -0.443 18224 3725 1 11 . 1 1 34 34 ILE C C 34 177.833 177.833 176.920 0.913 18224 3726 1 11 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.005 3.107 18224 3727 1 11 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.443 -1.092 18224 3728 1 11 . 1 1 34 34 ILE H H 34 8.234 8.234 7.403 0.831 18224 3729 1 11 . 1 1 35 35 TYR N N 35 118.746 118.746 120.447 -1.701 18224 3730 1 11 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.208 -0.093 18224 3731 1 11 . 1 1 35 35 TYR C C 35 178.044 178.044 177.665 0.379 18224 3732 1 11 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.496 -0.738 18224 3733 1 11 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.854 -0.839 18224 3734 1 11 . 1 1 35 35 TYR H H 35 8.355 8.355 7.383 0.972 18224 3735 1 11 . 1 1 36 36 MET N N 36 117.813 117.813 117.846 -0.033 18224 3736 1 11 . 1 1 36 36 MET HA H 36 4.281 4.281 4.341 -0.060 18224 3737 1 11 . 1 1 36 36 MET C C 36 178.139 178.139 178.306 -0.167 18224 3738 1 11 . 1 1 36 36 MET CA C 36 58.482 58.482 59.465 -0.983 18224 3739 1 11 . 1 1 36 36 MET CB C 36 31.716 31.716 32.700 -0.984 18224 3740 1 11 . 1 1 36 36 MET H H 36 8.107 8.107 8.463 -0.356 18224 3741 1 11 . 1 1 37 37 LEU N N 37 120.311 120.311 118.610 1.701 18224 3742 1 11 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.147 -0.072 18224 3743 1 11 . 1 1 37 37 LEU C C 37 178.399 178.399 177.963 0.436 18224 3744 1 11 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.772 0.698 18224 3745 1 11 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.077 0.876 18224 3746 1 11 . 1 1 37 37 LEU H H 37 8.229 8.229 8.044 0.185 18224 3747 1 11 . 1 1 38 38 VAL N N 38 118.080 118.080 116.922 1.158 18224 3748 1 11 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.951 -0.426 18224 3749 1 11 . 1 1 38 38 VAL C C 38 178.139 178.139 177.294 0.845 18224 3750 1 11 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.903 3.249 18224 3751 1 11 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.399 -0.949 18224 3752 1 11 . 1 1 38 38 VAL H H 38 8.363 8.363 7.320 1.043 18224 3753 1 11 . 1 1 39 39 PHE N N 39 120.151 120.151 121.809 -1.658 18224 3754 1 11 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.340 -0.117 18224 3755 1 11 . 1 1 39 39 PHE C C 39 178.544 178.544 177.184 1.360 18224 3756 1 11 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.811 -0.485 18224 3757 1 11 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.784 -0.868 18224 3758 1 11 . 1 1 39 39 PHE H H 39 8.306 8.306 7.350 0.956 18224 3759 1 11 . 1 1 40 40 LEU N N 40 121.004 121.004 120.153 0.851 18224 3760 1 11 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.250 -0.227 18224 3761 1 11 . 1 1 40 40 LEU C C 40 179.704 179.704 179.284 0.420 18224 3762 1 11 . 1 1 40 40 LEU CA C 40 57.938 57.938 58.243 -0.305 18224 3763 1 11 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.123 1.169 18224 3764 1 11 . 1 1 40 40 LEU H H 40 8.567 8.567 8.126 0.441 18224 3765 1 11 . 1 1 41 41 LEU N N 41 119.593 119.593 120.017 -0.424 18224 3766 1 11 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.076 -0.015 18224 3767 1 11 . 1 1 41 41 LEU C C 41 178.966 178.966 178.351 0.615 18224 3768 1 11 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.642 1.054 18224 3769 1 11 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.908 -0.116 18224 3770 1 11 . 1 1 41 41 LEU H H 41 8.503 8.503 8.207 0.296 18224 3771 1 11 . 1 1 42 42 GLY N N 42 105.838 105.838 103.621 2.217 18224 3772 1 11 . 1 1 42 42 GLY C C 42 175.587 175.587 173.649 1.938 18224 3773 1 11 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.937 1.633 18224 3774 1 11 . 1 1 42 42 GLY H H 42 8.355 8.355 7.933 0.422 18224 3775 1 11 . 1 1 43 43 THR N N 43 112.333 112.333 114.252 -1.919 18224 3776 1 11 . 1 1 43 43 THR HA H 43 4.290 4.290 4.650 -0.360 18224 3777 1 11 . 1 1 43 43 THR C C 43 175.765 175.765 173.423 2.342 18224 3778 1 11 . 1 1 43 43 THR CA C 43 63.680 63.680 60.857 2.823 18224 3779 1 11 . 1 1 43 43 THR CB C 43 69.626 69.626 70.948 -1.322 18224 3780 1 11 . 1 1 43 43 THR H H 43 7.895 7.895 7.525 0.370 18224 3781 1 11 . 1 1 44 44 THR N N 44 112.041 112.041 112.628 -0.587 18224 3782 1 11 . 1 1 44 44 THR HA H 44 4.388 4.388 4.103 0.285 18224 3783 1 11 . 1 1 44 44 THR C C 44 175.555 175.555 174.306 1.249 18224 3784 1 11 . 1 1 44 44 THR CA C 44 62.732 62.732 63.542 -0.810 18224 3785 1 11 . 1 1 44 44 THR CB C 44 70.240 70.240 68.204 2.036 18224 3786 1 11 . 1 1 44 44 THR H H 44 7.684 7.684 8.368 -0.684 18224 3787 1 11 . 1 1 45 45 GLY N N 45 109.756 109.756 107.178 2.578 18224 3788 1 11 . 1 1 45 45 GLY C C 45 174.948 174.948 173.069 1.879 18224 3789 1 11 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.885 1.467 18224 3790 1 11 . 1 1 45 45 GLY H H 45 8.058 8.058 8.339 -0.281 18224 3791 1 11 . 1 1 46 46 ASN N N 46 117.561 117.561 118.615 -1.054 18224 3792 1 11 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.985 -0.140 18224 3793 1 11 . 1 1 46 46 ASN C C 46 175.853 175.853 174.513 1.340 18224 3794 1 11 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.859 1.232 18224 3795 1 11 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.245 0.268 18224 3796 1 11 . 1 1 46 46 ASN H H 46 8.202 8.202 8.054 0.148 18224 3797 1 11 . 1 1 47 47 GLY N N 47 108.715 108.715 109.140 -0.425 18224 3798 1 11 . 1 1 47 47 GLY C C 47 174.431 174.431 173.830 0.601 18224 3799 1 11 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.896 1.265 18224 3800 1 11 . 1 1 47 47 GLY H H 47 8.600 8.600 8.469 0.131 18224 3801 1 11 . 1 1 48 48 LEU N N 48 120.089 120.089 120.408 -0.319 18224 3802 1 11 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.779 -0.460 18224 3803 1 11 . 1 1 48 48 LEU C C 48 179.243 179.243 177.180 2.063 18224 3804 1 11 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.117 2.199 18224 3805 1 11 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.047 -1.209 18224 3806 1 11 . 1 1 48 48 LEU H H 48 8.003 8.003 7.820 0.183 18224 3807 1 11 . 1 1 49 49 VAL N N 49 120.573 120.573 119.433 1.140 18224 3808 1 11 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.070 -0.249 18224 3809 1 11 . 1 1 49 49 VAL C C 49 177.520 177.520 177.277 0.243 18224 3810 1 11 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.600 1.462 18224 3811 1 11 . 1 1 49 49 VAL CB C 49 31.488 31.488 30.898 0.591 18224 3812 1 11 . 1 1 49 49 VAL H H 49 7.910 7.910 8.091 -0.181 18224 3813 1 11 . 1 1 50 50 LEU N N 50 119.718 119.718 115.515 4.203 18224 3814 1 11 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.658 -0.631 18224 3815 1 11 . 1 1 50 50 LEU C C 50 178.169 178.169 177.673 0.496 18224 3816 1 11 . 1 1 50 50 LEU CA C 50 58.052 58.052 55.625 2.427 18224 3817 1 11 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.038 1.703 18224 3818 1 11 . 1 1 50 50 LEU H H 50 7.860 7.860 8.047 -0.187 18224 3819 1 11 . 1 1 51 51 TRP N N 51 118.071 118.071 121.902 -3.831 18224 3820 1 11 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.897 -0.355 18224 3821 1 11 . 1 1 51 51 TRP C C 51 177.296 177.296 176.612 0.684 18224 3822 1 11 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.295 0.623 18224 3823 1 11 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.787 0.188 18224 3824 1 11 . 1 1 51 51 TRP H H 51 8.109 8.109 7.373 0.736 18224 3825 1 11 . 1 1 52 52 THR N N 52 113.243 113.243 116.295 -3.052 18224 3826 1 11 . 1 1 52 52 THR HA H 52 3.773 3.773 3.689 0.084 18224 3827 1 11 . 1 1 52 52 THR C C 52 176.402 176.402 175.758 0.644 18224 3828 1 11 . 1 1 52 52 THR CA C 52 66.690 66.690 66.023 0.667 18224 3829 1 11 . 1 1 52 52 THR CB C 52 68.921 68.921 68.667 0.254 18224 3830 1 11 . 1 1 52 52 THR H H 52 8.072 8.072 7.849 0.223 18224 3831 1 11 . 1 1 53 53 VAL N N 53 120.307 120.307 121.295 -0.988 18224 3832 1 11 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.677 -0.014 18224 3833 1 11 . 1 1 53 53 VAL C C 53 177.362 177.362 176.886 0.476 18224 3834 1 11 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.023 0.269 18224 3835 1 11 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.420 0.297 18224 3836 1 11 . 1 1 53 53 VAL H H 53 8.006 8.006 7.731 0.275 18224 3837 1 11 . 1 1 54 54 PHE N N 54 119.041 119.041 117.439 1.602 18224 3838 1 11 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.205 0.023 18224 3839 1 11 . 1 1 54 54 PHE C C 54 177.476 177.476 175.870 1.606 18224 3840 1 11 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.812 1.080 18224 3841 1 11 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.145 -0.549 18224 3842 1 11 . 1 1 54 54 PHE H H 54 8.143 8.143 7.595 0.548 18224 3843 1 11 . 1 1 55 55 ARG N N 55 117.543 117.543 119.238 -1.695 18224 3844 1 11 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.199 0.664 18224 3845 1 11 . 1 1 55 55 ARG C C 55 177.832 177.832 177.311 0.521 18224 3846 1 11 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.617 0.090 18224 3847 1 11 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.541 -0.065 18224 3848 1 11 . 1 1 55 55 ARG H H 55 8.112 8.112 6.767 1.345 18224 3849 1 11 . 1 1 56 56 LYS N N 56 118.390 118.390 117.881 0.509 18224 3850 1 11 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.909 0.254 18224 3851 1 11 . 1 1 56 56 LYS C C 56 177.400 177.400 178.798 -1.398 18224 3852 1 11 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.577 -0.867 18224 3853 1 11 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.331 0.448 18224 3854 1 11 . 1 1 56 56 LYS H H 56 7.789 7.789 8.051 -0.262 18224 3855 1 11 . 1 1 57 57 LYS N N 57 118.190 118.190 119.730 -1.540 18224 3856 1 11 . 1 1 57 57 LYS HA H 57 4.259 4.259 3.932 0.327 18224 3857 1 11 . 1 1 57 57 LYS C C 57 176.791 176.791 177.121 -0.330 18224 3858 1 11 . 1 1 57 57 LYS CA C 57 56.425 56.425 54.906 1.519 18224 3859 1 11 . 1 1 57 57 LYS CB C 57 32.823 32.823 29.989 2.834 18224 3860 1 11 . 1 1 57 57 LYS H H 57 7.821 7.821 7.561 0.260 18224 3861 1 11 . 1 1 58 58 GLY N N 58 107.289 107.289 109.605 -2.316 18224 3862 1 11 . 1 1 58 58 GLY C C 58 173.607 173.607 174.281 -0.674 18224 3863 1 11 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.457 0.017 18224 3864 1 11 . 1 1 58 58 GLY H H 58 7.927 7.927 8.481 -0.554 18224 3865 1 11 . 1 1 59 59 HIS N N 59 116.847 116.847 119.853 -3.006 18224 3866 1 11 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.517 0.176 18224 3867 1 11 . 1 1 59 59 HIS C C 59 174.153 174.153 175.450 -1.297 18224 3868 1 11 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.625 -1.467 18224 3869 1 11 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.854 -1.939 18224 3870 1 11 . 1 1 59 59 HIS H H 59 8.120 8.120 7.598 0.522 18224 3871 1 11 . 1 1 60 60 HIS N N 60 118.028 118.028 117.276 0.752 18224 3872 1 11 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.272 0.420 18224 3873 1 11 . 1 1 60 60 HIS C C 60 173.987 173.987 175.048 -1.061 18224 3874 1 11 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.235 -1.727 18224 3875 1 11 . 1 1 60 60 HIS CB C 60 28.825 28.825 27.022 1.803 18224 3876 1 11 . 1 1 60 60 HIS H H 60 8.328 8.328 8.091 0.237 18224 3877 1 11 . 1 1 61 61 HIS N N 61 118.101 118.101 116.814 1.287 18224 3878 1 11 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.057 0.633 18224 3879 1 11 . 1 1 61 61 HIS C C 61 174.032 174.032 175.666 -1.634 18224 3880 1 11 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.908 -1.190 18224 3881 1 11 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.343 -0.449 18224 3882 1 11 . 1 1 61 61 HIS H H 61 8.351 8.351 8.244 0.107 18224 3883 1 11 . 1 1 62 62 HIS N N 62 118.704 118.704 116.902 1.802 18224 3884 1 11 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.190 0.511 18224 3885 1 11 . 1 1 62 62 HIS C C 62 173.803 173.803 174.708 -0.905 18224 3886 1 11 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.017 -1.413 18224 3887 1 11 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.035 -0.872 18224 3888 1 11 . 1 1 62 62 HIS H H 62 8.381 8.381 8.003 0.378 18224 3889 1 11 . 1 1 63 63 HIS N N 63 118.853 118.853 118.870 -0.017 18224 3890 1 11 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.485 0.196 18224 3891 1 11 . 1 1 63 63 HIS C C 63 173.576 173.576 176.038 -2.462 18224 3892 1 11 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.047 -1.349 18224 3893 1 11 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.222 -1.089 18224 3894 1 11 . 1 1 63 63 HIS H H 63 8.299 8.299 8.532 -0.233 18224 3895 1 12 . 1 1 2 2 GLU N N 2 122.762 122.762 120.511 2.251 18224 3896 1 12 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.033 0.405 18224 3897 1 12 . 1 1 2 2 GLU C C 2 175.581 175.581 176.347 -0.766 18224 3898 1 12 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.626 -0.266 18224 3899 1 12 . 1 1 2 2 GLU CB C 2 29.582 29.582 28.844 0.738 18224 3900 1 12 . 1 1 2 2 GLU H H 2 8.628 8.628 8.710 -0.082 18224 3901 1 12 . 1 1 3 3 GLU N N 3 121.071 121.071 119.988 1.083 18224 3902 1 12 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.230 0.151 18224 3903 1 12 . 1 1 3 3 GLU C C 3 176.457 176.457 176.472 -0.015 18224 3904 1 12 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.639 -0.291 18224 3905 1 12 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.005 1.194 18224 3906 1 12 . 1 1 3 3 GLU H H 3 8.393 8.393 8.589 -0.196 18224 3907 1 12 . 1 1 4 4 GLY N N 4 109.717 109.717 107.858 1.859 18224 3908 1 12 . 1 1 4 4 GLY C C 4 174.677 174.677 174.370 0.307 18224 3909 1 12 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.800 0.841 18224 3910 1 12 . 1 1 4 4 GLY H H 4 8.377 8.377 8.026 0.351 18224 3911 1 12 . 1 1 5 5 GLY N N 5 108.373 108.373 108.951 -0.578 18224 3912 1 12 . 1 1 5 5 GLY C C 5 174.047 174.047 173.157 0.890 18224 3913 1 12 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.935 0.637 18224 3914 1 12 . 1 1 5 5 GLY H H 5 8.115 8.115 8.043 0.072 18224 3915 1 12 . 1 1 6 6 ASP N N 6 118.996 118.996 121.516 -2.520 18224 3916 1 12 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.767 -0.118 18224 3917 1 12 . 1 1 6 6 ASP C C 6 175.903 175.903 175.425 0.478 18224 3918 1 12 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.820 0.225 18224 3919 1 12 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.234 -1.890 18224 3920 1 12 . 1 1 6 6 ASP H H 6 8.166 8.166 8.447 -0.281 18224 3921 1 12 . 1 1 7 7 PHE N N 7 119.750 119.750 123.174 -3.424 18224 3922 1 12 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.640 -0.090 18224 3923 1 12 . 1 1 7 7 PHE C C 7 175.919 175.919 175.952 -0.033 18224 3924 1 12 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.225 0.707 18224 3925 1 12 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.836 -0.656 18224 3926 1 12 . 1 1 7 7 PHE H H 7 8.151 8.151 8.523 -0.372 18224 3927 1 12 . 1 1 8 8 ASP N N 8 118.526 118.526 124.821 -6.295 18224 3928 1 12 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.746 -0.248 18224 3929 1 12 . 1 1 8 8 ASP C C 8 175.787 175.787 175.287 0.500 18224 3930 1 12 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.144 -0.509 18224 3931 1 12 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.204 -2.001 18224 3932 1 12 . 1 1 8 8 ASP H H 8 8.161 8.161 8.473 -0.312 18224 3933 1 12 . 1 1 9 9 ASN N N 9 117.291 117.291 119.021 -1.730 18224 3934 1 12 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.895 -0.324 18224 3935 1 12 . 1 1 9 9 ASN C C 9 175.142 175.142 174.642 0.500 18224 3936 1 12 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.291 0.643 18224 3937 1 12 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.797 -0.005 18224 3938 1 12 . 1 1 9 9 ASN H H 9 8.013 8.013 8.416 -0.403 18224 3939 1 12 . 1 1 10 10 TYR N N 10 119.112 119.112 120.754 -1.642 18224 3940 1 12 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.261 0.185 18224 3941 1 12 . 1 1 10 10 TYR C C 10 175.513 175.513 176.955 -1.442 18224 3942 1 12 . 1 1 10 10 TYR CA C 10 58.974 58.974 60.452 -1.478 18224 3943 1 12 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.493 0.390 18224 3944 1 12 . 1 1 10 10 TYR H H 10 7.848 7.848 8.628 -0.780 18224 3945 1 12 . 1 1 11 11 TYR N N 11 119.438 119.438 119.660 -0.222 18224 3946 1 12 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.459 0.048 18224 3947 1 12 . 1 1 11 11 TYR C C 11 175.939 175.939 175.910 0.029 18224 3948 1 12 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.341 -1.044 18224 3949 1 12 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.815 0.152 18224 3950 1 12 . 1 1 11 11 TYR H H 11 7.849 7.849 7.812 0.037 18224 3951 1 12 . 1 1 12 12 GLY N N 12 109.685 109.685 106.752 2.933 18224 3952 1 12 . 1 1 12 12 GLY C C 12 174.099 174.099 173.484 0.615 18224 3953 1 12 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.760 0.785 18224 3954 1 12 . 1 1 12 12 GLY H H 12 7.792 7.792 8.564 -0.772 18224 3955 1 12 . 1 1 13 13 ALA N N 13 123.072 123.072 124.200 -1.128 18224 3956 1 12 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.905 -0.630 18224 3957 1 12 . 1 1 13 13 ALA C C 13 177.669 177.669 177.327 0.342 18224 3958 1 12 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.205 0.765 18224 3959 1 12 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.815 -0.525 18224 3960 1 12 . 1 1 13 13 ALA H H 13 7.880 7.880 8.291 -0.411 18224 3961 1 12 . 1 1 14 14 ASP N N 14 117.540 117.540 118.099 -0.559 18224 3962 1 12 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.858 -0.209 18224 3963 1 12 . 1 1 14 14 ASP C C 14 175.649 175.649 174.773 0.876 18224 3964 1 12 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.678 0.286 18224 3965 1 12 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.519 -1.836 18224 3966 1 12 . 1 1 14 14 ASP H H 14 8.281 8.281 8.348 -0.067 18224 3967 1 12 . 1 1 15 15 ASN N N 15 118.400 118.400 118.273 0.127 18224 3968 1 12 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.693 -0.007 18224 3969 1 12 . 1 1 15 15 ASN C C 15 175.351 175.351 175.284 0.067 18224 3970 1 12 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.128 0.480 18224 3971 1 12 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.254 -0.312 18224 3972 1 12 . 1 1 15 15 ASN H H 15 8.137 8.137 8.332 -0.195 18224 3973 1 12 . 1 1 16 16 GLN N N 16 120.072 120.072 119.775 0.297 18224 3974 1 12 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.387 -0.027 18224 3975 1 12 . 1 1 16 16 GLN C C 16 176.206 176.206 175.436 0.770 18224 3976 1 12 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.746 0.656 18224 3977 1 12 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.603 2.566 18224 3978 1 12 . 1 1 16 16 GLN H H 16 8.284 8.284 8.364 -0.080 18224 3979 1 12 . 1 1 17 17 SER N N 17 116.112 116.112 116.954 -0.842 18224 3980 1 12 . 1 1 17 17 SER HA H 17 4.440 4.440 4.563 -0.123 18224 3981 1 12 . 1 1 17 17 SER C C 17 174.568 174.568 174.171 0.397 18224 3982 1 12 . 1 1 17 17 SER CA C 17 58.911 58.911 57.699 1.212 18224 3983 1 12 . 1 1 17 17 SER CB C 17 63.897 63.897 65.220 -1.323 18224 3984 1 12 . 1 1 17 17 SER H H 17 8.211 8.211 8.433 -0.222 18224 3985 1 12 . 1 1 18 18 GLU N N 18 121.378 121.378 120.220 1.158 18224 3986 1 12 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.117 0.262 18224 3987 1 12 . 1 1 18 18 GLU C C 18 175.934 175.934 175.661 0.273 18224 3988 1 12 . 1 1 18 18 GLU CA C 18 56.406 56.406 58.023 -1.617 18224 3989 1 12 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.956 0.177 18224 3990 1 12 . 1 1 18 18 GLU H H 18 8.262 8.262 8.715 -0.453 18224 3991 1 12 . 1 1 19 19 CYS N N 19 119.418 119.418 123.887 -4.469 18224 3992 1 12 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.696 -0.252 18224 3993 1 12 . 1 1 19 19 CYS C C 19 174.568 174.568 174.199 0.369 18224 3994 1 12 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.200 0.639 18224 3995 1 12 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.575 -0.602 18224 3996 1 12 . 1 1 19 19 CYS H H 19 8.182 8.182 8.593 -0.411 18224 3997 1 12 . 1 1 20 20 GLU N N 20 122.737 122.737 119.044 3.693 18224 3998 1 12 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.659 -0.352 18224 3999 1 12 . 1 1 20 20 GLU C C 20 176.083 176.083 176.314 -0.231 18224 4000 1 12 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.633 -0.093 18224 4001 1 12 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.283 -1.417 18224 4002 1 12 . 1 1 20 20 GLU H H 20 8.303 8.303 8.209 0.094 18224 4003 1 12 . 1 1 21 21 TYR N N 21 119.549 119.549 118.059 1.490 18224 4004 1 12 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.559 -0.085 18224 4005 1 12 . 1 1 21 21 TYR C C 21 175.826 175.826 175.361 0.465 18224 4006 1 12 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.005 -0.334 18224 4007 1 12 . 1 1 21 21 TYR CB C 21 38.589 38.589 39.227 -0.638 18224 4008 1 12 . 1 1 21 21 TYR H H 21 7.888 7.888 7.862 0.026 18224 4009 1 12 . 1 1 22 22 THR N N 22 112.218 112.218 112.167 0.051 18224 4010 1 12 . 1 1 22 22 THR HA H 22 4.163 4.163 4.351 -0.188 18224 4011 1 12 . 1 1 22 22 THR C C 22 174.737 174.737 174.061 0.676 18224 4012 1 12 . 1 1 22 22 THR CA C 22 62.778 62.778 63.897 -1.119 18224 4013 1 12 . 1 1 22 22 THR CB C 22 69.531 69.531 69.465 0.066 18224 4014 1 12 . 1 1 22 22 THR H H 22 7.683 7.683 8.130 -0.447 18224 4015 1 12 . 1 1 23 23 ASP N N 23 121.090 121.090 120.400 0.690 18224 4016 1 12 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.538 0.173 18224 4017 1 12 . 1 1 23 23 ASP C C 23 176.279 176.279 177.632 -1.353 18224 4018 1 12 . 1 1 23 23 ASP CA C 23 54.110 54.110 54.521 -0.411 18224 4019 1 12 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.323 -0.985 18224 4020 1 12 . 1 1 23 23 ASP H H 23 8.059 8.059 8.300 -0.241 18224 4021 1 12 . 1 1 24 24 TRP N N 24 121.546 121.546 119.985 1.561 18224 4022 1 12 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.300 0.186 18224 4023 1 12 . 1 1 24 24 TRP C C 24 177.051 177.051 175.438 1.613 18224 4024 1 12 . 1 1 24 24 TRP CA C 24 58.828 58.828 59.050 -0.222 18224 4025 1 12 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.413 0.655 18224 4026 1 12 . 1 1 24 24 TRP H H 24 7.888 7.888 7.727 0.161 18224 4027 1 12 . 1 1 25 25 LYS N N 25 120.106 120.106 118.678 1.428 18224 4028 1 12 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.112 -0.122 18224 4029 1 12 . 1 1 25 25 LYS C C 25 176.764 176.764 174.394 2.370 18224 4030 1 12 . 1 1 25 25 LYS CA C 25 57.722 57.722 55.197 2.525 18224 4031 1 12 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.744 -0.443 18224 4032 1 12 . 1 1 25 25 LYS H H 25 7.620 7.620 6.306 1.314 18224 4033 1 12 . 1 1 26 26 SER N N 26 114.114 114.114 119.050 -4.936 18224 4034 1 12 . 1 1 26 26 SER HA H 26 4.471 4.471 4.409 0.062 18224 4035 1 12 . 1 1 26 26 SER C C 26 175.124 175.124 173.413 1.711 18224 4036 1 12 . 1 1 26 26 SER CA C 26 58.757 58.757 58.717 0.040 18224 4037 1 12 . 1 1 26 26 SER CB C 26 63.812 63.812 64.092 -0.280 18224 4038 1 12 . 1 1 26 26 SER H H 26 7.796 7.796 8.469 -0.673 18224 4039 1 12 . 1 1 27 27 SER N N 27 116.655 116.655 117.163 -0.508 18224 4040 1 12 . 1 1 27 27 SER HA H 27 4.386 4.386 4.620 -0.234 18224 4041 1 12 . 1 1 27 27 SER C C 27 175.505 175.505 174.599 0.906 18224 4042 1 12 . 1 1 27 27 SER CA C 27 59.611 59.611 57.864 1.747 18224 4043 1 12 . 1 1 27 27 SER CB C 27 64.117 64.117 63.802 0.315 18224 4044 1 12 . 1 1 27 27 SER H H 27 8.046 8.046 8.111 -0.065 18224 4045 1 12 . 1 1 28 28 GLY N N 28 111.049 111.049 109.481 1.568 18224 4046 1 12 . 1 1 28 28 GLY C C 28 174.495 174.495 174.160 0.335 18224 4047 1 12 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.962 1.159 18224 4048 1 12 . 1 1 28 28 GLY H H 28 8.304 8.304 8.175 0.129 18224 4049 1 12 . 1 1 29 29 ALA N N 29 121.693 121.693 119.397 2.296 18224 4050 1 12 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.884 0.465 18224 4051 1 12 . 1 1 29 29 ALA C C 29 177.695 177.695 177.163 0.532 18224 4052 1 12 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.884 -0.773 18224 4053 1 12 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.629 2.335 18224 4054 1 12 . 1 1 29 29 ALA H H 29 7.941 7.941 7.983 -0.042 18224 4055 1 12 . 1 1 30 30 LEU N N 30 117.996 117.996 117.078 0.918 18224 4056 1 12 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.260 -0.078 18224 4057 1 12 . 1 1 30 30 LEU C C 30 177.484 177.484 178.230 -0.746 18224 4058 1 12 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.930 1.040 18224 4059 1 12 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.384 0.038 18224 4060 1 12 . 1 1 30 30 LEU H H 30 7.968 7.968 7.868 0.100 18224 4061 1 12 . 1 1 31 31 ILE N N 31 117.106 117.106 118.483 -1.377 18224 4062 1 12 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.380 -0.441 18224 4063 1 12 . 1 1 31 31 ILE C C 31 174.998 174.998 174.940 0.058 18224 4064 1 12 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.850 3.072 18224 4065 1 12 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.670 -0.562 18224 4066 1 12 . 1 1 31 31 ILE H H 31 8.027 8.027 8.117 -0.089 18224 4067 1 12 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.251 0.033 18224 4068 1 12 . 1 1 32 32 PRO C C 32 178.663 178.663 178.209 0.454 18224 4069 1 12 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.903 0.090 18224 4070 1 12 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.849 0.207 18224 4071 1 12 . 1 1 33 33 ALA N N 33 119.031 119.031 119.323 -0.292 18224 4072 1 12 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.139 0.027 18224 4073 1 12 . 1 1 33 33 ALA C C 33 178.942 178.942 179.875 -0.933 18224 4074 1 12 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.920 0.620 18224 4075 1 12 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.613 -0.128 18224 4076 1 12 . 1 1 33 33 ALA H H 33 7.580 7.580 8.202 -0.622 18224 4077 1 12 . 1 1 34 34 ILE N N 34 117.923 117.923 117.723 0.200 18224 4078 1 12 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.781 -0.082 18224 4079 1 12 . 1 1 34 34 ILE C C 34 177.833 177.833 177.386 0.447 18224 4080 1 12 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.323 0.789 18224 4081 1 12 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.467 -1.116 18224 4082 1 12 . 1 1 34 34 ILE H H 34 8.234 8.234 7.528 0.706 18224 4083 1 12 . 1 1 35 35 TYR N N 35 118.746 118.746 118.868 -0.122 18224 4084 1 12 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.154 -0.039 18224 4085 1 12 . 1 1 35 35 TYR C C 35 178.044 178.044 178.300 -0.256 18224 4086 1 12 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.020 -0.262 18224 4087 1 12 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.713 -0.698 18224 4088 1 12 . 1 1 35 35 TYR H H 35 8.355 8.355 7.969 0.386 18224 4089 1 12 . 1 1 36 36 MET N N 36 117.813 117.813 117.276 0.537 18224 4090 1 12 . 1 1 36 36 MET HA H 36 4.281 4.281 4.288 -0.007 18224 4091 1 12 . 1 1 36 36 MET C C 36 178.139 178.139 178.037 0.102 18224 4092 1 12 . 1 1 36 36 MET CA C 36 58.482 58.482 58.590 -0.108 18224 4093 1 12 . 1 1 36 36 MET CB C 36 31.716 31.716 32.717 -1.001 18224 4094 1 12 . 1 1 36 36 MET H H 36 8.107 8.107 8.814 -0.707 18224 4095 1 12 . 1 1 37 37 LEU N N 37 120.311 120.311 119.533 0.778 18224 4096 1 12 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.214 -0.139 18224 4097 1 12 . 1 1 37 37 LEU C C 37 178.399 178.399 177.646 0.753 18224 4098 1 12 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.785 0.685 18224 4099 1 12 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.615 0.338 18224 4100 1 12 . 1 1 37 37 LEU H H 37 8.229 8.229 7.975 0.254 18224 4101 1 12 . 1 1 38 38 VAL N N 38 118.080 118.080 116.413 1.667 18224 4102 1 12 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.064 -0.539 18224 4103 1 12 . 1 1 38 38 VAL C C 38 178.139 178.139 176.120 2.019 18224 4104 1 12 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.859 4.293 18224 4105 1 12 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.270 -1.820 18224 4106 1 12 . 1 1 38 38 VAL H H 38 8.363 8.363 7.178 1.185 18224 4107 1 12 . 1 1 39 39 PHE N N 39 120.151 120.151 120.190 -0.039 18224 4108 1 12 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.644 -0.421 18224 4109 1 12 . 1 1 39 39 PHE C C 39 178.544 178.544 174.985 3.559 18224 4110 1 12 . 1 1 39 39 PHE CA C 39 61.326 61.326 58.916 2.410 18224 4111 1 12 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.841 -2.925 18224 4112 1 12 . 1 1 39 39 PHE H H 39 8.306 8.306 8.265 0.041 18224 4113 1 12 . 1 1 40 40 LEU N N 40 121.004 121.004 114.053 6.951 18224 4114 1 12 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.781 -0.758 18224 4115 1 12 . 1 1 40 40 LEU C C 40 179.704 179.704 177.168 2.536 18224 4116 1 12 . 1 1 40 40 LEU CA C 40 57.938 57.938 54.792 3.146 18224 4117 1 12 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.514 -0.222 18224 4118 1 12 . 1 1 40 40 LEU H H 40 8.567 8.567 7.596 0.971 18224 4119 1 12 . 1 1 41 41 LEU N N 41 119.593 119.593 122.497 -2.904 18224 4120 1 12 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.052 0.009 18224 4121 1 12 . 1 1 41 41 LEU C C 41 178.966 178.966 177.661 1.305 18224 4122 1 12 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.358 0.339 18224 4123 1 12 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.348 -0.556 18224 4124 1 12 . 1 1 41 41 LEU H H 41 8.503 8.503 8.062 0.441 18224 4125 1 12 . 1 1 42 42 GLY N N 42 105.838 105.838 103.326 2.512 18224 4126 1 12 . 1 1 42 42 GLY C C 42 175.587 175.587 173.507 2.080 18224 4127 1 12 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.278 1.292 18224 4128 1 12 . 1 1 42 42 GLY H H 42 8.355 8.355 8.136 0.219 18224 4129 1 12 . 1 1 43 43 THR N N 43 112.333 112.333 111.327 1.006 18224 4130 1 12 . 1 1 43 43 THR HA H 43 4.290 4.290 4.405 -0.115 18224 4131 1 12 . 1 1 43 43 THR C C 43 175.765 175.765 174.947 0.818 18224 4132 1 12 . 1 1 43 43 THR CA C 43 63.680 63.680 59.551 4.128 18224 4133 1 12 . 1 1 43 43 THR CB C 43 69.626 69.626 70.530 -0.904 18224 4134 1 12 . 1 1 43 43 THR H H 43 7.895 7.895 7.453 0.442 18224 4135 1 12 . 1 1 44 44 THR N N 44 112.041 112.041 113.518 -1.477 18224 4136 1 12 . 1 1 44 44 THR HA H 44 4.388 4.388 3.729 0.659 18224 4137 1 12 . 1 1 44 44 THR C C 44 175.555 175.555 175.165 0.390 18224 4138 1 12 . 1 1 44 44 THR CA C 44 62.732 62.732 64.141 -1.409 18224 4139 1 12 . 1 1 44 44 THR CB C 44 70.240 70.240 67.816 2.424 18224 4140 1 12 . 1 1 44 44 THR H H 44 7.684 7.684 7.982 -0.298 18224 4141 1 12 . 1 1 45 45 GLY N N 45 109.756 109.756 109.108 0.648 18224 4142 1 12 . 1 1 45 45 GLY C C 45 174.948 174.948 173.202 1.746 18224 4143 1 12 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.284 1.068 18224 4144 1 12 . 1 1 45 45 GLY H H 45 8.058 8.058 8.261 -0.203 18224 4145 1 12 . 1 1 46 46 ASN N N 46 117.561 117.561 118.225 -0.664 18224 4146 1 12 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.426 0.419 18224 4147 1 12 . 1 1 46 46 ASN C C 46 175.853 175.853 174.537 1.316 18224 4148 1 12 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.401 0.691 18224 4149 1 12 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.073 2.440 18224 4150 1 12 . 1 1 46 46 ASN H H 46 8.202 8.202 8.209 -0.007 18224 4151 1 12 . 1 1 47 47 GLY N N 47 108.715 108.715 106.680 2.035 18224 4152 1 12 . 1 1 47 47 GLY C C 47 174.431 174.431 173.918 0.513 18224 4153 1 12 . 1 1 47 47 GLY CA C 47 47.161 47.161 44.824 2.337 18224 4154 1 12 . 1 1 47 47 GLY H H 47 8.600 8.600 8.192 0.408 18224 4155 1 12 . 1 1 48 48 LEU N N 48 120.089 120.089 119.958 0.131 18224 4156 1 12 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.131 0.188 18224 4157 1 12 . 1 1 48 48 LEU C C 48 179.243 179.243 176.321 2.922 18224 4158 1 12 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.187 1.129 18224 4159 1 12 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.789 0.049 18224 4160 1 12 . 1 1 48 48 LEU H H 48 8.003 8.003 8.220 -0.217 18224 4161 1 12 . 1 1 49 49 VAL N N 49 120.573 120.573 116.654 3.919 18224 4162 1 12 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.055 -0.234 18224 4163 1 12 . 1 1 49 49 VAL C C 49 177.520 177.520 176.883 0.637 18224 4164 1 12 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.826 1.236 18224 4165 1 12 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.765 -0.277 18224 4166 1 12 . 1 1 49 49 VAL H H 49 7.910 7.910 7.902 0.008 18224 4167 1 12 . 1 1 50 50 LEU N N 50 119.718 119.718 119.343 0.375 18224 4168 1 12 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.620 -0.593 18224 4169 1 12 . 1 1 50 50 LEU C C 50 178.169 178.169 178.373 -0.204 18224 4170 1 12 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.692 1.360 18224 4171 1 12 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.658 0.083 18224 4172 1 12 . 1 1 50 50 LEU H H 50 7.860 7.860 7.784 0.076 18224 4173 1 12 . 1 1 51 51 TRP N N 51 118.071 118.071 120.315 -2.244 18224 4174 1 12 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.654 -0.112 18224 4175 1 12 . 1 1 51 51 TRP C C 51 177.296 177.296 176.301 0.995 18224 4176 1 12 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.693 0.225 18224 4177 1 12 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.783 1.192 18224 4178 1 12 . 1 1 51 51 TRP H H 51 8.109 8.109 8.211 -0.102 18224 4179 1 12 . 1 1 52 52 THR N N 52 113.243 113.243 112.744 0.499 18224 4180 1 12 . 1 1 52 52 THR HA H 52 3.773 3.773 3.852 -0.079 18224 4181 1 12 . 1 1 52 52 THR C C 52 176.402 176.402 175.894 0.508 18224 4182 1 12 . 1 1 52 52 THR CA C 52 66.690 66.690 64.248 2.442 18224 4183 1 12 . 1 1 52 52 THR CB C 52 68.921 68.921 69.077 -0.156 18224 4184 1 12 . 1 1 52 52 THR H H 52 8.072 8.072 7.855 0.217 18224 4185 1 12 . 1 1 53 53 VAL N N 53 120.307 120.307 122.210 -1.903 18224 4186 1 12 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.748 -0.085 18224 4187 1 12 . 1 1 53 53 VAL C C 53 177.362 177.362 177.042 0.320 18224 4188 1 12 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.148 0.144 18224 4189 1 12 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.356 0.361 18224 4190 1 12 . 1 1 53 53 VAL H H 53 8.006 8.006 7.630 0.376 18224 4191 1 12 . 1 1 54 54 PHE N N 54 119.041 119.041 119.183 -0.142 18224 4192 1 12 . 1 1 54 54 PHE HA H 54 4.228 4.228 3.911 0.317 18224 4193 1 12 . 1 1 54 54 PHE C C 54 177.476 177.476 175.851 1.625 18224 4194 1 12 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.639 0.253 18224 4195 1 12 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.407 0.189 18224 4196 1 12 . 1 1 54 54 PHE H H 54 8.143 8.143 7.690 0.453 18224 4197 1 12 . 1 1 55 55 ARG N N 55 117.543 117.543 118.209 -0.666 18224 4198 1 12 . 1 1 55 55 ARG HA H 55 3.863 3.863 2.888 0.975 18224 4199 1 12 . 1 1 55 55 ARG C C 55 177.832 177.832 178.046 -0.214 18224 4200 1 12 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.450 0.256 18224 4201 1 12 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.319 0.157 18224 4202 1 12 . 1 1 55 55 ARG H H 55 8.112 8.112 7.424 0.688 18224 4203 1 12 . 1 1 56 56 LYS N N 56 118.390 118.390 118.799 -0.409 18224 4204 1 12 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.827 0.336 18224 4205 1 12 . 1 1 56 56 LYS C C 56 177.400 177.400 179.134 -1.734 18224 4206 1 12 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.774 -1.064 18224 4207 1 12 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.148 0.631 18224 4208 1 12 . 1 1 56 56 LYS H H 56 7.789 7.789 7.691 0.098 18224 4209 1 12 . 1 1 57 57 LYS N N 57 118.190 118.190 118.822 -0.632 18224 4210 1 12 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.385 -0.126 18224 4211 1 12 . 1 1 57 57 LYS C C 57 176.791 176.791 176.444 0.347 18224 4212 1 12 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.704 0.721 18224 4213 1 12 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.702 2.121 18224 4214 1 12 . 1 1 57 57 LYS H H 57 7.821 7.821 7.783 0.038 18224 4215 1 12 . 1 1 58 58 GLY N N 58 107.289 107.289 108.919 -1.630 18224 4216 1 12 . 1 1 58 58 GLY C C 58 173.607 173.607 174.061 -0.454 18224 4217 1 12 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.835 0.639 18224 4218 1 12 . 1 1 58 58 GLY H H 58 7.927 7.927 7.860 0.067 18224 4219 1 12 . 1 1 59 59 HIS N N 59 116.847 116.847 122.814 -5.967 18224 4220 1 12 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.373 0.320 18224 4221 1 12 . 1 1 59 59 HIS C C 59 174.153 174.153 175.798 -1.645 18224 4222 1 12 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.930 -1.772 18224 4223 1 12 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.090 -2.175 18224 4224 1 12 . 1 1 59 59 HIS H H 59 8.120 8.120 7.551 0.569 18224 4225 1 12 . 1 1 60 60 HIS N N 60 118.028 118.028 118.752 -0.724 18224 4226 1 12 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.227 0.465 18224 4227 1 12 . 1 1 60 60 HIS C C 60 173.987 173.987 174.385 -0.398 18224 4228 1 12 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.798 -0.290 18224 4229 1 12 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.038 -0.213 18224 4230 1 12 . 1 1 60 60 HIS H H 60 8.328 8.328 8.499 -0.171 18224 4231 1 12 . 1 1 61 61 HIS N N 61 118.101 118.101 123.529 -5.428 18224 4232 1 12 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.548 0.142 18224 4233 1 12 . 1 1 61 61 HIS C C 61 174.032 174.032 175.351 -1.319 18224 4234 1 12 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.917 -0.199 18224 4235 1 12 . 1 1 61 61 HIS CB C 61 28.895 28.895 28.954 -0.059 18224 4236 1 12 . 1 1 61 61 HIS H H 61 8.351 8.351 8.622 -0.271 18224 4237 1 12 . 1 1 62 62 HIS N N 62 118.704 118.704 125.734 -7.030 18224 4238 1 12 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.455 0.246 18224 4239 1 12 . 1 1 62 62 HIS C C 62 173.803 173.803 175.813 -2.010 18224 4240 1 12 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.675 -1.071 18224 4241 1 12 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.026 0.137 18224 4242 1 12 . 1 1 62 62 HIS H H 62 8.381 8.381 8.486 -0.105 18224 4243 1 12 . 1 1 63 63 HIS N N 63 118.853 118.853 123.033 -4.180 18224 4244 1 12 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.567 0.114 18224 4245 1 12 . 1 1 63 63 HIS C C 63 173.576 173.576 175.484 -1.908 18224 4246 1 12 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.224 0.474 18224 4247 1 12 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.955 -0.822 18224 4248 1 12 . 1 1 63 63 HIS H H 63 8.299 8.299 8.358 -0.059 18224 4249 1 13 . 1 1 2 2 GLU N N 2 122.762 122.762 120.106 2.656 18224 4250 1 13 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.083 0.355 18224 4251 1 13 . 1 1 2 2 GLU C C 2 175.581 175.581 175.124 0.457 18224 4252 1 13 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.043 -0.683 18224 4253 1 13 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.448 0.134 18224 4254 1 13 . 1 1 2 2 GLU H H 2 8.628 8.628 8.366 0.262 18224 4255 1 13 . 1 1 3 3 GLU N N 3 121.071 121.071 122.688 -1.617 18224 4256 1 13 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.515 -0.134 18224 4257 1 13 . 1 1 3 3 GLU C C 3 176.457 176.457 176.421 0.036 18224 4258 1 13 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.606 -0.258 18224 4259 1 13 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.538 -0.339 18224 4260 1 13 . 1 1 3 3 GLU H H 3 8.393 8.393 8.438 -0.045 18224 4261 1 13 . 1 1 4 4 GLY N N 4 109.717 109.717 112.459 -2.742 18224 4262 1 13 . 1 1 4 4 GLY C C 4 174.677 174.677 174.214 0.463 18224 4263 1 13 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.627 1.014 18224 4264 1 13 . 1 1 4 4 GLY H H 4 8.377 8.377 8.619 -0.242 18224 4265 1 13 . 1 1 5 5 GLY N N 5 108.373 108.373 108.829 -0.456 18224 4266 1 13 . 1 1 5 5 GLY C C 5 174.047 174.047 172.520 1.527 18224 4267 1 13 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.955 0.617 18224 4268 1 13 . 1 1 5 5 GLY H H 5 8.115 8.115 7.926 0.189 18224 4269 1 13 . 1 1 6 6 ASP N N 6 118.996 118.996 121.123 -2.127 18224 4270 1 13 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.640 0.009 18224 4271 1 13 . 1 1 6 6 ASP C C 6 175.903 175.903 175.762 0.141 18224 4272 1 13 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.270 0.775 18224 4273 1 13 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.586 -3.242 18224 4274 1 13 . 1 1 6 6 ASP H H 6 8.166 8.166 7.841 0.325 18224 4275 1 13 . 1 1 7 7 PHE N N 7 119.750 119.750 122.446 -2.696 18224 4276 1 13 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.664 -0.114 18224 4277 1 13 . 1 1 7 7 PHE C C 7 175.919 175.919 176.436 -0.517 18224 4278 1 13 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.820 1.112 18224 4279 1 13 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.732 -0.552 18224 4280 1 13 . 1 1 7 7 PHE H H 7 8.151 8.151 8.204 -0.053 18224 4281 1 13 . 1 1 8 8 ASP N N 8 118.526 118.526 120.328 -1.802 18224 4282 1 13 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.682 -0.184 18224 4283 1 13 . 1 1 8 8 ASP C C 8 175.787 175.787 175.442 0.345 18224 4284 1 13 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.205 0.430 18224 4285 1 13 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.111 -1.908 18224 4286 1 13 . 1 1 8 8 ASP H H 8 8.161 8.161 8.513 -0.352 18224 4287 1 13 . 1 1 9 9 ASN N N 9 117.291 117.291 117.690 -0.399 18224 4288 1 13 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.441 0.130 18224 4289 1 13 . 1 1 9 9 ASN C C 9 175.142 175.142 174.058 1.084 18224 4290 1 13 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.782 0.152 18224 4291 1 13 . 1 1 9 9 ASN CB C 9 38.792 38.792 36.616 2.176 18224 4292 1 13 . 1 1 9 9 ASN H H 9 8.013 8.013 8.525 -0.512 18224 4293 1 13 . 1 1 10 10 TYR N N 10 119.112 119.112 115.716 3.396 18224 4294 1 13 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.291 0.155 18224 4295 1 13 . 1 1 10 10 TYR C C 10 175.513 175.513 174.127 1.386 18224 4296 1 13 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.753 0.221 18224 4297 1 13 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.945 0.938 18224 4298 1 13 . 1 1 10 10 TYR H H 10 7.848 7.848 8.128 -0.280 18224 4299 1 13 . 1 1 11 11 TYR N N 11 119.438 119.438 124.436 -4.998 18224 4300 1 13 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.673 -0.166 18224 4301 1 13 . 1 1 11 11 TYR C C 11 175.939 175.939 173.957 1.982 18224 4302 1 13 . 1 1 11 11 TYR CA C 11 58.297 58.297 56.608 1.689 18224 4303 1 13 . 1 1 11 11 TYR CB C 11 38.967 38.967 40.656 -1.689 18224 4304 1 13 . 1 1 11 11 TYR H H 11 7.849 7.849 7.856 -0.007 18224 4305 1 13 . 1 1 12 12 GLY N N 12 109.685 109.685 109.610 0.075 18224 4306 1 13 . 1 1 12 12 GLY C C 12 174.099 174.099 172.648 1.451 18224 4307 1 13 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.837 0.708 18224 4308 1 13 . 1 1 12 12 GLY H H 12 7.792 7.792 8.676 -0.884 18224 4309 1 13 . 1 1 13 13 ALA N N 13 123.072 123.072 123.469 -0.397 18224 4310 1 13 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.442 -0.167 18224 4311 1 13 . 1 1 13 13 ALA C C 13 177.669 177.669 175.499 2.170 18224 4312 1 13 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.867 1.103 18224 4313 1 13 . 1 1 13 13 ALA CB C 13 19.290 19.290 20.030 -0.740 18224 4314 1 13 . 1 1 13 13 ALA H H 13 7.880 7.880 7.544 0.336 18224 4315 1 13 . 1 1 14 14 ASP N N 14 117.540 117.540 120.028 -2.488 18224 4316 1 13 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.719 -0.070 18224 4317 1 13 . 1 1 14 14 ASP C C 14 175.649 175.649 176.097 -0.448 18224 4318 1 13 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.412 0.552 18224 4319 1 13 . 1 1 14 14 ASP CB C 14 39.683 39.683 40.858 -1.175 18224 4320 1 13 . 1 1 14 14 ASP H H 14 8.281 8.281 8.389 -0.108 18224 4321 1 13 . 1 1 15 15 ASN N N 15 118.400 118.400 117.740 0.660 18224 4322 1 13 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.673 0.013 18224 4323 1 13 . 1 1 15 15 ASN C C 15 175.351 175.351 176.388 -1.037 18224 4324 1 13 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.975 -0.367 18224 4325 1 13 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.758 0.184 18224 4326 1 13 . 1 1 15 15 ASN H H 15 8.137 8.137 8.223 -0.086 18224 4327 1 13 . 1 1 16 16 GLN N N 16 120.072 120.072 118.562 1.510 18224 4328 1 13 . 1 1 16 16 GLN HA H 16 4.360 4.360 3.999 0.361 18224 4329 1 13 . 1 1 16 16 GLN C C 16 176.206 176.206 175.745 0.461 18224 4330 1 13 . 1 1 16 16 GLN CA C 16 56.402 56.402 57.181 -0.779 18224 4331 1 13 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.270 0.898 18224 4332 1 13 . 1 1 16 16 GLN H H 16 8.284 8.284 7.981 0.303 18224 4333 1 13 . 1 1 17 17 SER N N 17 116.112 116.112 112.791 3.321 18224 4334 1 13 . 1 1 17 17 SER HA H 17 4.440 4.440 3.962 0.478 18224 4335 1 13 . 1 1 17 17 SER C C 17 174.568 174.568 173.367 1.201 18224 4336 1 13 . 1 1 17 17 SER CA C 17 58.911 58.911 58.408 0.503 18224 4337 1 13 . 1 1 17 17 SER CB C 17 63.897 63.897 62.456 1.441 18224 4338 1 13 . 1 1 17 17 SER H H 17 8.211 8.211 8.295 -0.084 18224 4339 1 13 . 1 1 18 18 GLU N N 18 121.378 121.378 120.711 0.667 18224 4340 1 13 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.301 0.078 18224 4341 1 13 . 1 1 18 18 GLU C C 18 175.934 175.934 176.467 -0.533 18224 4342 1 13 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.754 0.652 18224 4343 1 13 . 1 1 18 18 GLU CB C 18 29.133 29.133 31.086 -1.953 18224 4344 1 13 . 1 1 18 18 GLU H H 18 8.262 8.262 7.913 0.349 18224 4345 1 13 . 1 1 19 19 CYS N N 19 119.418 119.418 119.516 -0.098 18224 4346 1 13 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.100 0.344 18224 4347 1 13 . 1 1 19 19 CYS C C 19 174.568 174.568 174.638 -0.070 18224 4348 1 13 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.828 -0.989 18224 4349 1 13 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.282 -0.309 18224 4350 1 13 . 1 1 19 19 CYS H H 19 8.182 8.182 8.577 -0.395 18224 4351 1 13 . 1 1 20 20 GLU N N 20 122.737 122.737 120.042 2.695 18224 4352 1 13 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.952 0.355 18224 4353 1 13 . 1 1 20 20 GLU C C 20 176.083 176.083 175.382 0.701 18224 4354 1 13 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.947 -1.407 18224 4355 1 13 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.628 -0.762 18224 4356 1 13 . 1 1 20 20 GLU H H 20 8.303 8.303 8.730 -0.427 18224 4357 1 13 . 1 1 21 21 TYR N N 21 119.549 119.549 116.219 3.330 18224 4358 1 13 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.281 0.193 18224 4359 1 13 . 1 1 21 21 TYR C C 21 175.826 175.826 175.047 0.779 18224 4360 1 13 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.599 -0.928 18224 4361 1 13 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.724 -0.135 18224 4362 1 13 . 1 1 21 21 TYR H H 21 7.888 7.888 7.795 0.093 18224 4363 1 13 . 1 1 22 22 THR N N 22 112.218 112.218 113.609 -1.391 18224 4364 1 13 . 1 1 22 22 THR HA H 22 4.163 4.163 3.748 0.415 18224 4365 1 13 . 1 1 22 22 THR C C 22 174.737 174.737 173.893 0.844 18224 4366 1 13 . 1 1 22 22 THR CA C 22 62.778 62.778 63.557 -0.779 18224 4367 1 13 . 1 1 22 22 THR CB C 22 69.531 69.531 68.990 0.541 18224 4368 1 13 . 1 1 22 22 THR H H 22 7.683 7.683 7.652 0.031 18224 4369 1 13 . 1 1 23 23 ASP N N 23 121.090 121.090 120.153 0.937 18224 4370 1 13 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.784 -0.073 18224 4371 1 13 . 1 1 23 23 ASP C C 23 176.279 176.279 176.056 0.223 18224 4372 1 13 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.475 0.635 18224 4373 1 13 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.619 -1.281 18224 4374 1 13 . 1 1 23 23 ASP H H 23 8.059 8.059 7.592 0.467 18224 4375 1 13 . 1 1 24 24 TRP N N 24 121.546 121.546 120.358 1.188 18224 4376 1 13 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.392 0.094 18224 4377 1 13 . 1 1 24 24 TRP C C 24 177.051 177.051 177.704 -0.653 18224 4378 1 13 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.157 0.670 18224 4379 1 13 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.773 1.295 18224 4380 1 13 . 1 1 24 24 TRP H H 24 7.888 7.888 7.138 0.750 18224 4381 1 13 . 1 1 25 25 LYS N N 25 120.106 120.106 120.757 -0.651 18224 4382 1 13 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.989 0.001 18224 4383 1 13 . 1 1 25 25 LYS C C 25 176.764 176.764 178.603 -1.839 18224 4384 1 13 . 1 1 25 25 LYS CA C 25 57.722 57.722 58.415 -0.693 18224 4385 1 13 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.157 0.144 18224 4386 1 13 . 1 1 25 25 LYS H H 25 7.620 7.620 8.277 -0.657 18224 4387 1 13 . 1 1 26 26 SER N N 26 114.114 114.114 112.138 1.976 18224 4388 1 13 . 1 1 26 26 SER HA H 26 4.471 4.471 4.289 0.182 18224 4389 1 13 . 1 1 26 26 SER C C 26 175.124 175.124 174.096 1.028 18224 4390 1 13 . 1 1 26 26 SER CA C 26 58.757 58.757 59.733 -0.976 18224 4391 1 13 . 1 1 26 26 SER CB C 26 63.812 63.812 62.761 1.051 18224 4392 1 13 . 1 1 26 26 SER H H 26 7.796 7.796 8.615 -0.819 18224 4393 1 13 . 1 1 27 27 SER N N 27 116.655 116.655 109.399 7.256 18224 4394 1 13 . 1 1 27 27 SER HA H 27 4.386 4.386 4.417 -0.031 18224 4395 1 13 . 1 1 27 27 SER C C 27 175.505 175.505 175.713 -0.208 18224 4396 1 13 . 1 1 27 27 SER CA C 27 59.611 59.611 58.829 0.782 18224 4397 1 13 . 1 1 27 27 SER CB C 27 64.117 64.117 62.604 1.513 18224 4398 1 13 . 1 1 27 27 SER H H 27 8.046 8.046 7.854 0.192 18224 4399 1 13 . 1 1 28 28 GLY N N 28 111.049 111.049 112.644 -1.595 18224 4400 1 13 . 1 1 28 28 GLY C C 28 174.495 174.495 174.848 -0.353 18224 4401 1 13 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.381 -0.260 18224 4402 1 13 . 1 1 28 28 GLY H H 28 8.304 8.304 7.705 0.599 18224 4403 1 13 . 1 1 29 29 ALA N N 29 121.693 121.693 123.048 -1.355 18224 4404 1 13 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.377 -0.028 18224 4405 1 13 . 1 1 29 29 ALA C C 29 177.695 177.695 177.140 0.555 18224 4406 1 13 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.502 0.609 18224 4407 1 13 . 1 1 29 29 ALA CB C 29 19.964 19.964 19.272 0.692 18224 4408 1 13 . 1 1 29 29 ALA H H 29 7.941 7.941 7.928 0.013 18224 4409 1 13 . 1 1 30 30 LEU N N 30 117.996 117.996 120.013 -2.017 18224 4410 1 13 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.460 -0.278 18224 4411 1 13 . 1 1 30 30 LEU C C 30 177.484 177.484 175.796 1.688 18224 4412 1 13 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.884 3.086 18224 4413 1 13 . 1 1 30 30 LEU CB C 30 42.422 42.422 40.879 1.543 18224 4414 1 13 . 1 1 30 30 LEU H H 30 7.968 7.968 7.959 0.009 18224 4415 1 13 . 1 1 31 31 ILE N N 31 117.106 117.106 119.980 -2.874 18224 4416 1 13 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.288 -0.349 18224 4417 1 13 . 1 1 31 31 ILE C C 31 174.998 174.998 174.376 0.622 18224 4418 1 13 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.119 2.803 18224 4419 1 13 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.578 -1.470 18224 4420 1 13 . 1 1 31 31 ILE H H 31 8.027 8.027 7.626 0.401 18224 4421 1 13 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.450 -0.166 18224 4422 1 13 . 1 1 32 32 PRO C C 32 178.663 178.663 177.851 0.812 18224 4423 1 13 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.687 0.306 18224 4424 1 13 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.284 -0.228 18224 4425 1 13 . 1 1 33 33 ALA N N 33 119.031 119.031 118.865 0.166 18224 4426 1 13 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.218 -0.052 18224 4427 1 13 . 1 1 33 33 ALA C C 33 178.942 178.942 178.859 0.083 18224 4428 1 13 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.204 1.336 18224 4429 1 13 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.533 -0.048 18224 4430 1 13 . 1 1 33 33 ALA H H 33 7.580 7.580 8.349 -0.769 18224 4431 1 13 . 1 1 34 34 ILE N N 34 117.923 117.923 117.583 0.340 18224 4432 1 13 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.858 -0.159 18224 4433 1 13 . 1 1 34 34 ILE C C 34 177.833 177.833 176.984 0.849 18224 4434 1 13 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.842 1.270 18224 4435 1 13 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.204 -0.853 18224 4436 1 13 . 1 1 34 34 ILE H H 34 8.234 8.234 7.549 0.685 18224 4437 1 13 . 1 1 35 35 TYR N N 35 118.746 118.746 119.903 -1.157 18224 4438 1 13 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.229 -0.114 18224 4439 1 13 . 1 1 35 35 TYR C C 35 178.044 178.044 177.705 0.339 18224 4440 1 13 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.398 -0.640 18224 4441 1 13 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.682 -0.667 18224 4442 1 13 . 1 1 35 35 TYR H H 35 8.355 8.355 7.527 0.828 18224 4443 1 13 . 1 1 36 36 MET N N 36 117.813 117.813 118.170 -0.357 18224 4444 1 13 . 1 1 36 36 MET HA H 36 4.281 4.281 4.423 -0.142 18224 4445 1 13 . 1 1 36 36 MET C C 36 178.139 178.139 177.640 0.499 18224 4446 1 13 . 1 1 36 36 MET CA C 36 58.482 58.482 58.931 -0.449 18224 4447 1 13 . 1 1 36 36 MET CB C 36 31.716 31.716 32.929 -1.213 18224 4448 1 13 . 1 1 36 36 MET H H 36 8.107 8.107 7.774 0.333 18224 4449 1 13 . 1 1 37 37 LEU N N 37 120.311 120.311 119.117 1.194 18224 4450 1 13 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.205 -0.130 18224 4451 1 13 . 1 1 37 37 LEU C C 37 178.399 178.399 177.033 1.366 18224 4452 1 13 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.861 1.609 18224 4453 1 13 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.714 1.239 18224 4454 1 13 . 1 1 37 37 LEU H H 37 8.229 8.229 7.717 0.512 18224 4455 1 13 . 1 1 38 38 VAL N N 38 118.080 118.080 116.566 1.514 18224 4456 1 13 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.204 -0.679 18224 4457 1 13 . 1 1 38 38 VAL C C 38 178.139 178.139 175.837 2.302 18224 4458 1 13 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.555 4.597 18224 4459 1 13 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.383 -1.933 18224 4460 1 13 . 1 1 38 38 VAL H H 38 8.363 8.363 7.514 0.849 18224 4461 1 13 . 1 1 39 39 PHE N N 39 120.151 120.151 122.152 -2.001 18224 4462 1 13 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.708 -0.485 18224 4463 1 13 . 1 1 39 39 PHE C C 39 178.544 178.544 175.899 2.645 18224 4464 1 13 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.871 0.455 18224 4465 1 13 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.692 -2.776 18224 4466 1 13 . 1 1 39 39 PHE H H 39 8.306 8.306 7.744 0.562 18224 4467 1 13 . 1 1 40 40 LEU N N 40 121.004 121.004 117.860 3.144 18224 4468 1 13 . 1 1 40 40 LEU HA H 40 4.023 4.023 3.780 0.243 18224 4469 1 13 . 1 1 40 40 LEU C C 40 179.704 179.704 178.568 1.136 18224 4470 1 13 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.157 0.781 18224 4471 1 13 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.219 1.073 18224 4472 1 13 . 1 1 40 40 LEU H H 40 8.567 8.567 7.746 0.821 18224 4473 1 13 . 1 1 41 41 LEU N N 41 119.593 119.593 118.701 0.892 18224 4474 1 13 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.055 0.006 18224 4475 1 13 . 1 1 41 41 LEU C C 41 178.966 178.966 178.070 0.896 18224 4476 1 13 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.050 0.646 18224 4477 1 13 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.161 0.631 18224 4478 1 13 . 1 1 41 41 LEU H H 41 8.503 8.503 7.930 0.573 18224 4479 1 13 . 1 1 42 42 GLY N N 42 105.838 105.838 102.514 3.324 18224 4480 1 13 . 1 1 42 42 GLY C C 42 175.587 175.587 174.038 1.549 18224 4481 1 13 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.320 2.250 18224 4482 1 13 . 1 1 42 42 GLY H H 42 8.355 8.355 7.459 0.896 18224 4483 1 13 . 1 1 43 43 THR N N 43 112.333 112.333 114.764 -2.431 18224 4484 1 13 . 1 1 43 43 THR HA H 43 4.290 4.290 3.744 0.546 18224 4485 1 13 . 1 1 43 43 THR C C 43 175.765 175.765 175.323 0.442 18224 4486 1 13 . 1 1 43 43 THR CA C 43 63.680 63.680 64.704 -1.024 18224 4487 1 13 . 1 1 43 43 THR CB C 43 69.626 69.626 68.193 1.433 18224 4488 1 13 . 1 1 43 43 THR H H 43 7.895 7.895 7.627 0.268 18224 4489 1 13 . 1 1 44 44 THR N N 44 112.041 112.041 113.942 -1.901 18224 4490 1 13 . 1 1 44 44 THR HA H 44 4.388 4.388 4.404 -0.016 18224 4491 1 13 . 1 1 44 44 THR C C 44 175.555 175.555 175.222 0.333 18224 4492 1 13 . 1 1 44 44 THR CA C 44 62.732 62.732 62.300 0.431 18224 4493 1 13 . 1 1 44 44 THR CB C 44 70.240 70.240 69.779 0.460 18224 4494 1 13 . 1 1 44 44 THR H H 44 7.684 7.684 8.109 -0.425 18224 4495 1 13 . 1 1 45 45 GLY N N 45 109.756 109.756 109.151 0.605 18224 4496 1 13 . 1 1 45 45 GLY C C 45 174.948 174.948 173.614 1.334 18224 4497 1 13 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.558 1.794 18224 4498 1 13 . 1 1 45 45 GLY H H 45 8.058 8.058 8.175 -0.117 18224 4499 1 13 . 1 1 46 46 ASN N N 46 117.561 117.561 119.652 -2.091 18224 4500 1 13 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.393 0.452 18224 4501 1 13 . 1 1 46 46 ASN C C 46 175.853 175.853 175.073 0.780 18224 4502 1 13 . 1 1 46 46 ASN CA C 46 54.092 54.092 54.086 0.006 18224 4503 1 13 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.039 1.474 18224 4504 1 13 . 1 1 46 46 ASN H H 46 8.202 8.202 8.482 -0.280 18224 4505 1 13 . 1 1 47 47 GLY N N 47 108.715 108.715 106.713 2.002 18224 4506 1 13 . 1 1 47 47 GLY C C 47 174.431 174.431 173.417 1.014 18224 4507 1 13 . 1 1 47 47 GLY CA C 47 47.161 47.161 44.977 2.184 18224 4508 1 13 . 1 1 47 47 GLY H H 47 8.600 8.600 8.360 0.240 18224 4509 1 13 . 1 1 48 48 LEU N N 48 120.089 120.089 117.519 2.570 18224 4510 1 13 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.545 -0.226 18224 4511 1 13 . 1 1 48 48 LEU C C 48 179.243 179.243 177.826 1.417 18224 4512 1 13 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.808 1.508 18224 4513 1 13 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.618 -0.780 18224 4514 1 13 . 1 1 48 48 LEU H H 48 8.003 8.003 7.530 0.473 18224 4515 1 13 . 1 1 49 49 VAL N N 49 120.573 120.573 120.059 0.514 18224 4516 1 13 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.815 0.006 18224 4517 1 13 . 1 1 49 49 VAL C C 49 177.520 177.520 177.430 0.090 18224 4518 1 13 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.179 -0.117 18224 4519 1 13 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.530 -0.042 18224 4520 1 13 . 1 1 49 49 VAL H H 49 7.910 7.910 8.264 -0.354 18224 4521 1 13 . 1 1 50 50 LEU N N 50 119.718 119.718 117.340 2.378 18224 4522 1 13 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.416 -0.389 18224 4523 1 13 . 1 1 50 50 LEU C C 50 178.169 178.169 178.239 -0.070 18224 4524 1 13 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.317 0.735 18224 4525 1 13 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.739 1.002 18224 4526 1 13 . 1 1 50 50 LEU H H 50 7.860 7.860 7.879 -0.019 18224 4527 1 13 . 1 1 51 51 TRP N N 51 118.071 118.071 121.652 -3.581 18224 4528 1 13 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.437 0.105 18224 4529 1 13 . 1 1 51 51 TRP C C 51 177.296 177.296 176.882 0.414 18224 4530 1 13 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.137 -0.219 18224 4531 1 13 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.553 1.422 18224 4532 1 13 . 1 1 51 51 TRP H H 51 8.109 8.109 7.624 0.485 18224 4533 1 13 . 1 1 52 52 THR N N 52 113.243 113.243 115.190 -1.947 18224 4534 1 13 . 1 1 52 52 THR HA H 52 3.773 3.773 3.614 0.159 18224 4535 1 13 . 1 1 52 52 THR C C 52 176.402 176.402 176.247 0.155 18224 4536 1 13 . 1 1 52 52 THR CA C 52 66.690 66.690 66.648 0.042 18224 4537 1 13 . 1 1 52 52 THR CB C 52 68.921 68.921 69.296 -0.375 18224 4538 1 13 . 1 1 52 52 THR H H 52 8.072 8.072 7.435 0.637 18224 4539 1 13 . 1 1 53 53 VAL N N 53 120.307 120.307 122.080 -1.773 18224 4540 1 13 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.504 0.159 18224 4541 1 13 . 1 1 53 53 VAL C C 53 177.362 177.362 177.300 0.062 18224 4542 1 13 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.769 -0.477 18224 4543 1 13 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.741 -0.024 18224 4544 1 13 . 1 1 53 53 VAL H H 53 8.006 8.006 7.382 0.624 18224 4545 1 13 . 1 1 54 54 PHE N N 54 119.041 119.041 117.351 1.690 18224 4546 1 13 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.058 0.170 18224 4547 1 13 . 1 1 54 54 PHE C C 54 177.476 177.476 175.635 1.841 18224 4548 1 13 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.546 0.346 18224 4549 1 13 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.002 -0.406 18224 4550 1 13 . 1 1 54 54 PHE H H 54 8.143 8.143 8.243 -0.100 18224 4551 1 13 . 1 1 55 55 ARG N N 55 117.543 117.543 117.535 0.008 18224 4552 1 13 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.532 0.331 18224 4553 1 13 . 1 1 55 55 ARG C C 55 177.832 177.832 177.913 -0.081 18224 4554 1 13 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.661 1.045 18224 4555 1 13 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.766 -1.290 18224 4556 1 13 . 1 1 55 55 ARG H H 55 8.112 8.112 7.269 0.843 18224 4557 1 13 . 1 1 56 56 LYS N N 56 118.390 118.390 119.759 -1.369 18224 4558 1 13 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.805 0.358 18224 4559 1 13 . 1 1 56 56 LYS C C 56 177.400 177.400 178.915 -1.515 18224 4560 1 13 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.872 -1.162 18224 4561 1 13 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.041 0.738 18224 4562 1 13 . 1 1 56 56 LYS H H 56 7.789 7.789 8.046 -0.257 18224 4563 1 13 . 1 1 57 57 LYS N N 57 118.190 118.190 117.243 0.947 18224 4564 1 13 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.108 0.151 18224 4565 1 13 . 1 1 57 57 LYS C C 57 176.791 176.791 176.414 0.377 18224 4566 1 13 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.759 0.666 18224 4567 1 13 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.683 2.140 18224 4568 1 13 . 1 1 57 57 LYS H H 57 7.821 7.821 7.317 0.504 18224 4569 1 13 . 1 1 58 58 GLY N N 58 107.289 107.289 107.455 -0.166 18224 4570 1 13 . 1 1 58 58 GLY C C 58 173.607 173.607 174.613 -1.006 18224 4571 1 13 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.536 0.938 18224 4572 1 13 . 1 1 58 58 GLY H H 58 7.927 7.927 7.231 0.696 18224 4573 1 13 . 1 1 59 59 HIS N N 59 116.847 116.847 117.871 -1.024 18224 4574 1 13 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.239 0.454 18224 4575 1 13 . 1 1 59 59 HIS C C 59 174.153 174.153 175.844 -1.691 18224 4576 1 13 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.269 -1.111 18224 4577 1 13 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.760 -0.845 18224 4578 1 13 . 1 1 59 59 HIS H H 59 8.120 8.120 7.431 0.689 18224 4579 1 13 . 1 1 60 60 HIS N N 60 118.028 118.028 118.108 -0.080 18224 4580 1 13 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.345 0.347 18224 4581 1 13 . 1 1 60 60 HIS C C 60 173.987 173.987 175.186 -1.199 18224 4582 1 13 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.282 -0.774 18224 4583 1 13 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.231 -0.406 18224 4584 1 13 . 1 1 60 60 HIS H H 60 8.328 8.328 8.472 -0.144 18224 4585 1 13 . 1 1 61 61 HIS N N 61 118.101 118.101 119.265 -1.164 18224 4586 1 13 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.393 0.297 18224 4587 1 13 . 1 1 61 61 HIS C C 61 174.032 174.032 176.158 -2.126 18224 4588 1 13 . 1 1 61 61 HIS CA C 61 55.718 55.718 57.141 -1.423 18224 4589 1 13 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.915 -1.020 18224 4590 1 13 . 1 1 61 61 HIS H H 61 8.351 8.351 8.206 0.145 18224 4591 1 13 . 1 1 62 62 HIS N N 62 118.704 118.704 120.178 -1.474 18224 4592 1 13 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.041 0.660 18224 4593 1 13 . 1 1 62 62 HIS C C 62 173.803 173.803 174.144 -0.341 18224 4594 1 13 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.613 -0.009 18224 4595 1 13 . 1 1 62 62 HIS CB C 62 29.163 29.163 28.868 0.295 18224 4596 1 13 . 1 1 62 62 HIS H H 62 8.381 8.381 8.298 0.083 18224 4597 1 13 . 1 1 63 63 HIS N N 63 118.853 118.853 118.608 0.245 18224 4598 1 13 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.487 0.194 18224 4599 1 13 . 1 1 63 63 HIS C C 63 173.576 173.576 174.739 -1.163 18224 4600 1 13 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.600 -0.902 18224 4601 1 13 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.814 -0.680 18224 4602 1 13 . 1 1 63 63 HIS H H 63 8.299 8.299 7.481 0.818 18224 4603 1 14 . 1 1 2 2 GLU N N 2 122.762 122.762 124.179 -1.417 18224 4604 1 14 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.499 -0.061 18224 4605 1 14 . 1 1 2 2 GLU C C 2 175.581 175.581 175.384 0.197 18224 4606 1 14 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.525 -0.165 18224 4607 1 14 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.767 -0.185 18224 4608 1 14 . 1 1 2 2 GLU H H 2 8.628 8.628 8.716 -0.088 18224 4609 1 14 . 1 1 3 3 GLU N N 3 121.071 121.071 121.600 -0.529 18224 4610 1 14 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.484 -0.103 18224 4611 1 14 . 1 1 3 3 GLU C C 3 176.457 176.457 176.473 -0.016 18224 4612 1 14 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.209 0.139 18224 4613 1 14 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.079 -0.880 18224 4614 1 14 . 1 1 3 3 GLU H H 3 8.393 8.393 8.557 -0.164 18224 4615 1 14 . 1 1 4 4 GLY N N 4 109.717 109.717 109.365 0.352 18224 4616 1 14 . 1 1 4 4 GLY C C 4 174.677 174.677 174.032 0.645 18224 4617 1 14 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.614 0.027 18224 4618 1 14 . 1 1 4 4 GLY H H 4 8.377 8.377 8.069 0.308 18224 4619 1 14 . 1 1 5 5 GLY N N 5 108.373 108.373 110.021 -1.648 18224 4620 1 14 . 1 1 5 5 GLY C C 5 174.047 174.047 173.647 0.400 18224 4621 1 14 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.923 -0.351 18224 4622 1 14 . 1 1 5 5 GLY H H 5 8.115 8.115 8.287 -0.172 18224 4623 1 14 . 1 1 6 6 ASP N N 6 118.996 118.996 122.454 -3.458 18224 4624 1 14 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.247 0.402 18224 4625 1 14 . 1 1 6 6 ASP C C 6 175.903 175.903 175.632 0.271 18224 4626 1 14 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.240 0.804 18224 4627 1 14 . 1 1 6 6 ASP CB C 6 39.344 39.344 43.222 -3.878 18224 4628 1 14 . 1 1 6 6 ASP H H 6 8.166 8.166 7.994 0.172 18224 4629 1 14 . 1 1 7 7 PHE N N 7 119.750 119.750 120.831 -1.081 18224 4630 1 14 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.872 -0.322 18224 4631 1 14 . 1 1 7 7 PHE C C 7 175.919 175.919 176.176 -0.257 18224 4632 1 14 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.171 1.761 18224 4633 1 14 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.769 -0.589 18224 4634 1 14 . 1 1 7 7 PHE H H 7 8.151 8.151 7.521 0.630 18224 4635 1 14 . 1 1 8 8 ASP N N 8 118.526 118.526 119.196 -0.670 18224 4636 1 14 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.726 -0.228 18224 4637 1 14 . 1 1 8 8 ASP C C 8 175.787 175.787 175.015 0.772 18224 4638 1 14 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.366 0.269 18224 4639 1 14 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.776 -1.573 18224 4640 1 14 . 1 1 8 8 ASP H H 8 8.161 8.161 8.585 -0.424 18224 4641 1 14 . 1 1 9 9 ASN N N 9 117.291 117.291 118.781 -1.490 18224 4642 1 14 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.705 -0.134 18224 4643 1 14 . 1 1 9 9 ASN C C 9 175.142 175.142 173.881 1.261 18224 4644 1 14 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.701 1.233 18224 4645 1 14 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.535 0.257 18224 4646 1 14 . 1 1 9 9 ASN H H 9 8.013 8.013 8.088 -0.075 18224 4647 1 14 . 1 1 10 10 TYR N N 10 119.112 119.112 120.959 -1.847 18224 4648 1 14 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.109 0.337 18224 4649 1 14 . 1 1 10 10 TYR C C 10 175.513 175.513 175.576 -0.063 18224 4650 1 14 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.309 0.665 18224 4651 1 14 . 1 1 10 10 TYR CB C 10 38.883 38.883 39.071 -0.188 18224 4652 1 14 . 1 1 10 10 TYR H H 10 7.848 7.848 7.846 0.002 18224 4653 1 14 . 1 1 11 11 TYR N N 11 119.438 119.438 121.153 -1.715 18224 4654 1 14 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.407 0.100 18224 4655 1 14 . 1 1 11 11 TYR C C 11 175.939 175.939 177.104 -1.165 18224 4656 1 14 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.386 -0.089 18224 4657 1 14 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.187 0.780 18224 4658 1 14 . 1 1 11 11 TYR H H 11 7.849 7.849 8.346 -0.497 18224 4659 1 14 . 1 1 12 12 GLY N N 12 109.685 109.685 112.012 -2.327 18224 4660 1 14 . 1 1 12 12 GLY C C 12 174.099 174.099 173.623 0.476 18224 4661 1 14 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.091 0.454 18224 4662 1 14 . 1 1 12 12 GLY H H 12 7.792 7.792 8.659 -0.867 18224 4663 1 14 . 1 1 13 13 ALA N N 13 123.072 123.072 127.211 -4.139 18224 4664 1 14 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.490 -0.215 18224 4665 1 14 . 1 1 13 13 ALA C C 13 177.669 177.669 176.865 0.804 18224 4666 1 14 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.895 1.075 18224 4667 1 14 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.689 -0.399 18224 4668 1 14 . 1 1 13 13 ALA H H 13 7.880 7.880 8.344 -0.464 18224 4669 1 14 . 1 1 14 14 ASP N N 14 117.540 117.540 119.039 -1.499 18224 4670 1 14 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.698 -0.049 18224 4671 1 14 . 1 1 14 14 ASP C C 14 175.649 175.649 175.171 0.478 18224 4672 1 14 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.131 -0.167 18224 4673 1 14 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.784 -0.101 18224 4674 1 14 . 1 1 14 14 ASP H H 14 8.281 8.281 8.625 -0.344 18224 4675 1 14 . 1 1 15 15 ASN N N 15 118.400 118.400 119.468 -1.068 18224 4676 1 14 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.756 -0.070 18224 4677 1 14 . 1 1 15 15 ASN C C 15 175.351 175.351 174.883 0.468 18224 4678 1 14 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.547 0.061 18224 4679 1 14 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.059 -1.117 18224 4680 1 14 . 1 1 15 15 ASN H H 15 8.137 8.137 7.575 0.562 18224 4681 1 14 . 1 1 16 16 GLN N N 16 120.072 120.072 119.402 0.670 18224 4682 1 14 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.006 0.354 18224 4683 1 14 . 1 1 16 16 GLN C C 16 176.206 176.206 174.625 1.581 18224 4684 1 14 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.288 0.114 18224 4685 1 14 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.238 1.931 18224 4686 1 14 . 1 1 16 16 GLN H H 16 8.284 8.284 8.425 -0.141 18224 4687 1 14 . 1 1 17 17 SER N N 17 116.112 116.112 115.795 0.317 18224 4688 1 14 . 1 1 17 17 SER HA H 17 4.440 4.440 4.517 -0.077 18224 4689 1 14 . 1 1 17 17 SER C C 17 174.568 174.568 174.180 0.388 18224 4690 1 14 . 1 1 17 17 SER CA C 17 58.911 58.911 58.179 0.731 18224 4691 1 14 . 1 1 17 17 SER CB C 17 63.897 63.897 63.848 0.049 18224 4692 1 14 . 1 1 17 17 SER H H 17 8.211 8.211 8.078 0.133 18224 4693 1 14 . 1 1 18 18 GLU N N 18 121.378 121.378 127.235 -5.857 18224 4694 1 14 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.456 -0.077 18224 4695 1 14 . 1 1 18 18 GLU C C 18 175.934 175.934 176.672 -0.738 18224 4696 1 14 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.710 0.696 18224 4697 1 14 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.750 -1.617 18224 4698 1 14 . 1 1 18 18 GLU H H 18 8.262 8.262 8.747 -0.485 18224 4699 1 14 . 1 1 19 19 CYS N N 19 119.418 119.418 127.340 -7.922 18224 4700 1 14 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.454 -0.010 18224 4701 1 14 . 1 1 19 19 CYS C C 19 174.568 174.568 174.751 -0.183 18224 4702 1 14 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.305 -0.466 18224 4703 1 14 . 1 1 19 19 CYS CB C 19 27.973 27.973 25.601 2.372 18224 4704 1 14 . 1 1 19 19 CYS H H 19 8.182 8.182 8.834 -0.652 18224 4705 1 14 . 1 1 20 20 GLU N N 20 122.737 122.737 119.902 2.835 18224 4706 1 14 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.494 -0.187 18224 4707 1 14 . 1 1 20 20 GLU C C 20 176.083 176.083 176.194 -0.111 18224 4708 1 14 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.998 -0.458 18224 4709 1 14 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.624 -1.758 18224 4710 1 14 . 1 1 20 20 GLU H H 20 8.303 8.303 7.816 0.487 18224 4711 1 14 . 1 1 21 21 TYR N N 21 119.549 119.549 121.304 -1.755 18224 4712 1 14 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.785 0.689 18224 4713 1 14 . 1 1 21 21 TYR C C 21 175.826 175.826 174.462 1.364 18224 4714 1 14 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.221 -0.550 18224 4715 1 14 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.968 0.621 18224 4716 1 14 . 1 1 21 21 TYR H H 21 7.888 7.888 7.971 -0.083 18224 4717 1 14 . 1 1 22 22 THR N N 22 112.218 112.218 111.899 0.319 18224 4718 1 14 . 1 1 22 22 THR HA H 22 4.163 4.163 4.032 0.131 18224 4719 1 14 . 1 1 22 22 THR C C 22 174.737 174.737 173.682 1.055 18224 4720 1 14 . 1 1 22 22 THR CA C 22 62.778 62.778 61.338 1.440 18224 4721 1 14 . 1 1 22 22 THR CB C 22 69.531 69.531 69.247 0.284 18224 4722 1 14 . 1 1 22 22 THR H H 22 7.683 7.683 7.308 0.375 18224 4723 1 14 . 1 1 23 23 ASP N N 23 121.090 121.090 120.576 0.514 18224 4724 1 14 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.834 -0.123 18224 4725 1 14 . 1 1 23 23 ASP C C 23 176.279 176.279 176.786 -0.507 18224 4726 1 14 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.809 0.301 18224 4727 1 14 . 1 1 23 23 ASP CB C 23 39.338 39.338 41.669 -2.331 18224 4728 1 14 . 1 1 23 23 ASP H H 23 8.059 8.059 7.554 0.505 18224 4729 1 14 . 1 1 24 24 TRP N N 24 121.546 121.546 124.040 -2.494 18224 4730 1 14 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.335 0.151 18224 4731 1 14 . 1 1 24 24 TRP C C 24 177.051 177.051 177.056 -0.005 18224 4732 1 14 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.001 0.827 18224 4733 1 14 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.567 1.501 18224 4734 1 14 . 1 1 24 24 TRP H H 24 7.888 7.888 7.002 0.886 18224 4735 1 14 . 1 1 25 25 LYS N N 25 120.106 120.106 121.685 -1.579 18224 4736 1 14 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.328 -0.338 18224 4737 1 14 . 1 1 25 25 LYS C C 25 176.764 176.764 175.415 1.349 18224 4738 1 14 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.336 0.386 18224 4739 1 14 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.477 1.824 18224 4740 1 14 . 1 1 25 25 LYS H H 25 7.620 7.620 8.339 -0.719 18224 4741 1 14 . 1 1 26 26 SER N N 26 114.114 114.114 116.507 -2.393 18224 4742 1 14 . 1 1 26 26 SER HA H 26 4.471 4.471 4.574 -0.103 18224 4743 1 14 . 1 1 26 26 SER C C 26 175.124 175.124 173.800 1.324 18224 4744 1 14 . 1 1 26 26 SER CA C 26 58.757 58.757 58.737 0.020 18224 4745 1 14 . 1 1 26 26 SER CB C 26 63.812 63.812 64.513 -0.701 18224 4746 1 14 . 1 1 26 26 SER H H 26 7.796 7.796 8.326 -0.530 18224 4747 1 14 . 1 1 27 27 SER N N 27 116.655 116.655 116.595 0.060 18224 4748 1 14 . 1 1 27 27 SER HA H 27 4.386 4.386 4.203 0.183 18224 4749 1 14 . 1 1 27 27 SER C C 27 175.505 175.505 174.934 0.571 18224 4750 1 14 . 1 1 27 27 SER CA C 27 59.611 59.611 59.364 0.247 18224 4751 1 14 . 1 1 27 27 SER CB C 27 64.117 64.117 62.015 2.102 18224 4752 1 14 . 1 1 27 27 SER H H 27 8.046 8.046 8.767 -0.721 18224 4753 1 14 . 1 1 28 28 GLY N N 28 111.049 111.049 104.564 6.485 18224 4754 1 14 . 1 1 28 28 GLY C C 28 174.495 174.495 174.356 0.139 18224 4755 1 14 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.256 0.865 18224 4756 1 14 . 1 1 28 28 GLY H H 28 8.304 8.304 8.450 -0.146 18224 4757 1 14 . 1 1 29 29 ALA N N 29 121.693 121.693 119.939 1.754 18224 4758 1 14 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.996 0.353 18224 4759 1 14 . 1 1 29 29 ALA C C 29 177.695 177.695 177.235 0.460 18224 4760 1 14 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.821 0.290 18224 4761 1 14 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.305 1.659 18224 4762 1 14 . 1 1 29 29 ALA H H 29 7.941 7.941 7.849 0.092 18224 4763 1 14 . 1 1 30 30 LEU N N 30 117.996 117.996 125.178 -7.182 18224 4764 1 14 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.100 0.082 18224 4765 1 14 . 1 1 30 30 LEU C C 30 177.484 177.484 178.728 -1.244 18224 4766 1 14 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.482 0.488 18224 4767 1 14 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.964 0.458 18224 4768 1 14 . 1 1 30 30 LEU H H 30 7.968 7.968 8.556 -0.588 18224 4769 1 14 . 1 1 31 31 ILE N N 31 117.106 117.106 117.301 -0.195 18224 4770 1 14 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.288 -0.349 18224 4771 1 14 . 1 1 31 31 ILE C C 31 174.998 174.998 176.285 -1.287 18224 4772 1 14 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.222 1.700 18224 4773 1 14 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.698 -0.590 18224 4774 1 14 . 1 1 31 31 ILE H H 31 8.027 8.027 8.130 -0.103 18224 4775 1 14 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.397 -0.113 18224 4776 1 14 . 1 1 32 32 PRO C C 32 178.663 178.663 177.743 0.920 18224 4777 1 14 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.848 0.145 18224 4778 1 14 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.732 0.324 18224 4779 1 14 . 1 1 33 33 ALA N N 33 119.031 119.031 118.210 0.821 18224 4780 1 14 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.162 0.004 18224 4781 1 14 . 1 1 33 33 ALA C C 33 178.942 178.942 178.956 -0.014 18224 4782 1 14 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.118 1.422 18224 4783 1 14 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.422 0.063 18224 4784 1 14 . 1 1 33 33 ALA H H 33 7.580 7.580 8.340 -0.760 18224 4785 1 14 . 1 1 34 34 ILE N N 34 117.923 117.923 117.854 0.069 18224 4786 1 14 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.811 -0.112 18224 4787 1 14 . 1 1 34 34 ILE C C 34 177.833 177.833 176.770 1.063 18224 4788 1 14 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.834 1.278 18224 4789 1 14 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.101 -0.750 18224 4790 1 14 . 1 1 34 34 ILE H H 34 8.234 8.234 7.756 0.478 18224 4791 1 14 . 1 1 35 35 TYR N N 35 118.746 118.746 118.031 0.715 18224 4792 1 14 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.147 -0.032 18224 4793 1 14 . 1 1 35 35 TYR C C 35 178.044 178.044 178.352 -0.308 18224 4794 1 14 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.042 -0.284 18224 4795 1 14 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.537 -0.522 18224 4796 1 14 . 1 1 35 35 TYR H H 35 8.355 8.355 7.450 0.905 18224 4797 1 14 . 1 1 36 36 MET N N 36 117.813 117.813 118.374 -0.561 18224 4798 1 14 . 1 1 36 36 MET HA H 36 4.281 4.281 4.301 -0.020 18224 4799 1 14 . 1 1 36 36 MET C C 36 178.139 178.139 178.658 -0.519 18224 4800 1 14 . 1 1 36 36 MET CA C 36 58.482 58.482 59.432 -0.950 18224 4801 1 14 . 1 1 36 36 MET CB C 36 31.716 31.716 32.574 -0.858 18224 4802 1 14 . 1 1 36 36 MET H H 36 8.107 8.107 7.864 0.243 18224 4803 1 14 . 1 1 37 37 LEU N N 37 120.311 120.311 119.105 1.206 18224 4804 1 14 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.136 -0.061 18224 4805 1 14 . 1 1 37 37 LEU C C 37 178.399 178.399 177.649 0.750 18224 4806 1 14 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.457 1.013 18224 4807 1 14 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.038 0.915 18224 4808 1 14 . 1 1 37 37 LEU H H 37 8.229 8.229 7.872 0.357 18224 4809 1 14 . 1 1 38 38 VAL N N 38 118.080 118.080 115.900 2.180 18224 4810 1 14 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.153 -0.628 18224 4811 1 14 . 1 1 38 38 VAL C C 38 178.139 178.139 175.514 2.625 18224 4812 1 14 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.428 4.724 18224 4813 1 14 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.661 -2.211 18224 4814 1 14 . 1 1 38 38 VAL H H 38 8.363 8.363 7.514 0.849 18224 4815 1 14 . 1 1 39 39 PHE N N 39 120.151 120.151 120.432 -0.281 18224 4816 1 14 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.697 -0.474 18224 4817 1 14 . 1 1 39 39 PHE C C 39 178.544 178.544 175.196 3.348 18224 4818 1 14 . 1 1 39 39 PHE CA C 39 61.326 61.326 58.393 2.933 18224 4819 1 14 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.720 -2.804 18224 4820 1 14 . 1 1 39 39 PHE H H 39 8.306 8.306 8.209 0.097 18224 4821 1 14 . 1 1 40 40 LEU N N 40 121.004 121.004 115.348 5.656 18224 4822 1 14 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.502 -0.479 18224 4823 1 14 . 1 1 40 40 LEU C C 40 179.704 179.704 176.937 2.767 18224 4824 1 14 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.461 2.478 18224 4825 1 14 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.010 0.282 18224 4826 1 14 . 1 1 40 40 LEU H H 40 8.567 8.567 7.514 1.053 18224 4827 1 14 . 1 1 41 41 LEU N N 41 119.593 119.593 121.548 -1.955 18224 4828 1 14 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.097 -0.036 18224 4829 1 14 . 1 1 41 41 LEU C C 41 178.966 178.966 177.906 1.060 18224 4830 1 14 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.070 0.626 18224 4831 1 14 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.074 -0.282 18224 4832 1 14 . 1 1 41 41 LEU H H 41 8.503 8.503 8.045 0.458 18224 4833 1 14 . 1 1 42 42 GLY N N 42 105.838 105.838 103.089 2.749 18224 4834 1 14 . 1 1 42 42 GLY C C 42 175.587 175.587 174.209 1.378 18224 4835 1 14 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.753 1.817 18224 4836 1 14 . 1 1 42 42 GLY H H 42 8.355 8.355 7.917 0.438 18224 4837 1 14 . 1 1 43 43 THR N N 43 112.333 112.333 114.123 -1.790 18224 4838 1 14 . 1 1 43 43 THR HA H 43 4.290 4.290 4.141 0.149 18224 4839 1 14 . 1 1 43 43 THR C C 43 175.765 175.765 175.577 0.188 18224 4840 1 14 . 1 1 43 43 THR CA C 43 63.680 63.680 63.670 0.010 18224 4841 1 14 . 1 1 43 43 THR CB C 43 69.626 69.626 68.849 0.777 18224 4842 1 14 . 1 1 43 43 THR H H 43 7.895 7.895 7.983 -0.088 18224 4843 1 14 . 1 1 44 44 THR N N 44 112.041 112.041 114.818 -2.777 18224 4844 1 14 . 1 1 44 44 THR HA H 44 4.388 4.388 4.302 0.086 18224 4845 1 14 . 1 1 44 44 THR C C 44 175.555 175.555 175.297 0.258 18224 4846 1 14 . 1 1 44 44 THR CA C 44 62.732 62.732 63.020 -0.288 18224 4847 1 14 . 1 1 44 44 THR CB C 44 70.240 70.240 69.367 0.873 18224 4848 1 14 . 1 1 44 44 THR H H 44 7.684 7.684 7.908 -0.224 18224 4849 1 14 . 1 1 45 45 GLY N N 45 109.756 109.756 109.398 0.358 18224 4850 1 14 . 1 1 45 45 GLY C C 45 174.948 174.948 173.698 1.250 18224 4851 1 14 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.220 1.132 18224 4852 1 14 . 1 1 45 45 GLY H H 45 8.058 8.058 8.209 -0.151 18224 4853 1 14 . 1 1 46 46 ASN N N 46 117.561 117.561 121.947 -4.386 18224 4854 1 14 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.587 0.258 18224 4855 1 14 . 1 1 46 46 ASN C C 46 175.853 175.853 174.934 0.919 18224 4856 1 14 . 1 1 46 46 ASN CA C 46 54.092 54.092 54.370 -0.278 18224 4857 1 14 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.011 2.502 18224 4858 1 14 . 1 1 46 46 ASN H H 46 8.202 8.202 8.235 -0.033 18224 4859 1 14 . 1 1 47 47 GLY N N 47 108.715 108.715 108.008 0.707 18224 4860 1 14 . 1 1 47 47 GLY C C 47 174.431 174.431 174.434 -0.003 18224 4861 1 14 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.903 1.258 18224 4862 1 14 . 1 1 47 47 GLY H H 47 8.600 8.600 8.423 0.177 18224 4863 1 14 . 1 1 48 48 LEU N N 48 120.089 120.089 122.457 -2.368 18224 4864 1 14 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.705 -0.386 18224 4865 1 14 . 1 1 48 48 LEU C C 48 179.243 179.243 178.097 1.146 18224 4866 1 14 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.839 1.477 18224 4867 1 14 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.858 -1.020 18224 4868 1 14 . 1 1 48 48 LEU H H 48 8.003 8.003 7.968 0.035 18224 4869 1 14 . 1 1 49 49 VAL N N 49 120.573 120.573 118.811 1.762 18224 4870 1 14 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.769 0.052 18224 4871 1 14 . 1 1 49 49 VAL C C 49 177.520 177.520 177.654 -0.134 18224 4872 1 14 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.992 0.070 18224 4873 1 14 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.143 0.345 18224 4874 1 14 . 1 1 49 49 VAL H H 49 7.910 7.910 7.606 0.304 18224 4875 1 14 . 1 1 50 50 LEU N N 50 119.718 119.718 117.843 1.875 18224 4876 1 14 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.396 -0.369 18224 4877 1 14 . 1 1 50 50 LEU C C 50 178.169 178.169 178.239 -0.070 18224 4878 1 14 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.862 1.190 18224 4879 1 14 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.283 0.458 18224 4880 1 14 . 1 1 50 50 LEU H H 50 7.860 7.860 7.897 -0.037 18224 4881 1 14 . 1 1 51 51 TRP N N 51 118.071 118.071 120.472 -2.401 18224 4882 1 14 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.525 0.017 18224 4883 1 14 . 1 1 51 51 TRP C C 51 177.296 177.296 176.085 1.211 18224 4884 1 14 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.186 -0.268 18224 4885 1 14 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.135 0.840 18224 4886 1 14 . 1 1 51 51 TRP H H 51 8.109 8.109 7.632 0.477 18224 4887 1 14 . 1 1 52 52 THR N N 52 113.243 113.243 113.699 -0.456 18224 4888 1 14 . 1 1 52 52 THR HA H 52 3.773 3.773 4.119 -0.346 18224 4889 1 14 . 1 1 52 52 THR C C 52 176.402 176.402 176.349 0.053 18224 4890 1 14 . 1 1 52 52 THR CA C 52 66.690 66.690 65.844 0.846 18224 4891 1 14 . 1 1 52 52 THR CB C 52 68.921 68.921 69.645 -0.724 18224 4892 1 14 . 1 1 52 52 THR H H 52 8.072 8.072 7.409 0.663 18224 4893 1 14 . 1 1 53 53 VAL N N 53 120.307 120.307 122.147 -1.840 18224 4894 1 14 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.618 0.045 18224 4895 1 14 . 1 1 53 53 VAL C C 53 177.362 177.362 177.375 -0.013 18224 4896 1 14 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.490 -0.198 18224 4897 1 14 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.528 0.189 18224 4898 1 14 . 1 1 53 53 VAL H H 53 8.006 8.006 7.624 0.382 18224 4899 1 14 . 1 1 54 54 PHE N N 54 119.041 119.041 115.217 3.824 18224 4900 1 14 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.213 0.015 18224 4901 1 14 . 1 1 54 54 PHE C C 54 177.476 177.476 175.421 2.055 18224 4902 1 14 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.369 1.523 18224 4903 1 14 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.334 0.262 18224 4904 1 14 . 1 1 54 54 PHE H H 54 8.143 8.143 7.636 0.507 18224 4905 1 14 . 1 1 55 55 ARG N N 55 117.543 117.543 119.707 -2.164 18224 4906 1 14 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.565 0.298 18224 4907 1 14 . 1 1 55 55 ARG C C 55 177.832 177.832 177.799 0.033 18224 4908 1 14 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.171 1.535 18224 4909 1 14 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.825 -1.349 18224 4910 1 14 . 1 1 55 55 ARG H H 55 8.112 8.112 7.927 0.185 18224 4911 1 14 . 1 1 56 56 LYS N N 56 118.390 118.390 120.222 -1.832 18224 4912 1 14 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.959 0.204 18224 4913 1 14 . 1 1 56 56 LYS C C 56 177.400 177.400 178.381 -0.981 18224 4914 1 14 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.850 -1.140 18224 4915 1 14 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.032 0.747 18224 4916 1 14 . 1 1 56 56 LYS H H 56 7.789 7.789 8.371 -0.582 18224 4917 1 14 . 1 1 57 57 LYS N N 57 118.190 118.190 118.690 -0.500 18224 4918 1 14 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.480 -0.221 18224 4919 1 14 . 1 1 57 57 LYS C C 57 176.791 176.791 177.052 -0.261 18224 4920 1 14 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.300 1.125 18224 4921 1 14 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.324 1.499 18224 4922 1 14 . 1 1 57 57 LYS H H 57 7.821 7.821 7.391 0.430 18224 4923 1 14 . 1 1 58 58 GLY N N 58 107.289 107.289 110.211 -2.922 18224 4924 1 14 . 1 1 58 58 GLY C C 58 173.607 173.607 175.180 -1.573 18224 4925 1 14 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.642 -1.168 18224 4926 1 14 . 1 1 58 58 GLY H H 58 7.927 7.927 8.264 -0.337 18224 4927 1 14 . 1 1 59 59 HIS N N 59 116.847 116.847 118.936 -2.089 18224 4928 1 14 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.561 0.132 18224 4929 1 14 . 1 1 59 59 HIS C C 59 174.153 174.153 175.440 -1.287 18224 4930 1 14 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.476 -1.318 18224 4931 1 14 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.071 -2.156 18224 4932 1 14 . 1 1 59 59 HIS H H 59 8.120 8.120 8.322 -0.202 18224 4933 1 14 . 1 1 60 60 HIS N N 60 118.028 118.028 120.103 -2.075 18224 4934 1 14 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.451 0.241 18224 4935 1 14 . 1 1 60 60 HIS C C 60 173.987 173.987 174.675 -0.688 18224 4936 1 14 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.354 -0.846 18224 4937 1 14 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.089 -0.264 18224 4938 1 14 . 1 1 60 60 HIS H H 60 8.328 8.328 8.531 -0.203 18224 4939 1 14 . 1 1 61 61 HIS N N 61 118.101 118.101 122.229 -4.128 18224 4940 1 14 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.368 0.322 18224 4941 1 14 . 1 1 61 61 HIS C C 61 174.032 174.032 174.894 -0.862 18224 4942 1 14 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.452 -0.734 18224 4943 1 14 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.487 -1.592 18224 4944 1 14 . 1 1 61 61 HIS H H 61 8.351 8.351 8.313 0.038 18224 4945 1 14 . 1 1 62 62 HIS N N 62 118.704 118.704 117.593 1.111 18224 4946 1 14 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.789 -0.088 18224 4947 1 14 . 1 1 62 62 HIS C C 62 173.803 173.803 173.455 0.348 18224 4948 1 14 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.750 -0.146 18224 4949 1 14 . 1 1 62 62 HIS CB C 62 29.163 29.163 31.359 -2.196 18224 4950 1 14 . 1 1 62 62 HIS H H 62 8.381 8.381 8.785 -0.404 18224 4951 1 14 . 1 1 63 63 HIS N N 63 118.853 118.853 121.628 -2.775 18224 4952 1 14 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.435 0.246 18224 4953 1 14 . 1 1 63 63 HIS C C 63 173.576 173.576 174.825 -1.249 18224 4954 1 14 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.618 0.080 18224 4955 1 14 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.669 -1.536 18224 4956 1 14 . 1 1 63 63 HIS H H 63 8.299 8.299 8.465 -0.166 18224 4957 1 15 . 1 1 2 2 GLU N N 2 122.762 122.762 120.243 2.519 18224 4958 1 15 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.518 -0.080 18224 4959 1 15 . 1 1 2 2 GLU C C 2 175.581 175.581 174.496 1.085 18224 4960 1 15 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.025 0.335 18224 4961 1 15 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.402 -0.820 18224 4962 1 15 . 1 1 2 2 GLU H H 2 8.628 8.628 8.560 0.068 18224 4963 1 15 . 1 1 3 3 GLU N N 3 121.071 121.071 121.858 -0.787 18224 4964 1 15 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.603 -0.222 18224 4965 1 15 . 1 1 3 3 GLU C C 3 176.457 176.457 176.092 0.365 18224 4966 1 15 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.278 0.070 18224 4967 1 15 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.992 -1.793 18224 4968 1 15 . 1 1 3 3 GLU H H 3 8.393 8.393 8.975 -0.582 18224 4969 1 15 . 1 1 4 4 GLY N N 4 109.717 109.717 108.652 1.065 18224 4970 1 15 . 1 1 4 4 GLY C C 4 174.677 174.677 174.320 0.357 18224 4971 1 15 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.428 0.213 18224 4972 1 15 . 1 1 4 4 GLY H H 4 8.377 8.377 8.116 0.261 18224 4973 1 15 . 1 1 5 5 GLY N N 5 108.373 108.373 108.605 -0.232 18224 4974 1 15 . 1 1 5 5 GLY C C 5 174.047 174.047 172.543 1.504 18224 4975 1 15 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.522 1.050 18224 4976 1 15 . 1 1 5 5 GLY H H 5 8.115 8.115 7.787 0.328 18224 4977 1 15 . 1 1 6 6 ASP N N 6 118.996 118.996 120.178 -1.182 18224 4978 1 15 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.421 0.228 18224 4979 1 15 . 1 1 6 6 ASP C C 6 175.903 175.903 174.567 1.336 18224 4980 1 15 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.865 0.180 18224 4981 1 15 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.984 -1.640 18224 4982 1 15 . 1 1 6 6 ASP H H 6 8.166 8.166 8.429 -0.263 18224 4983 1 15 . 1 1 7 7 PHE N N 7 119.750 119.750 118.970 0.780 18224 4984 1 15 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.574 -0.024 18224 4985 1 15 . 1 1 7 7 PHE C C 7 175.919 175.919 176.078 -0.159 18224 4986 1 15 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.315 1.617 18224 4987 1 15 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.658 -0.478 18224 4988 1 15 . 1 1 7 7 PHE H H 7 8.151 8.151 6.873 1.278 18224 4989 1 15 . 1 1 8 8 ASP N N 8 118.526 118.526 120.842 -2.316 18224 4990 1 15 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.879 -0.381 18224 4991 1 15 . 1 1 8 8 ASP C C 8 175.787 175.787 175.092 0.695 18224 4992 1 15 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.119 0.516 18224 4993 1 15 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.874 -1.671 18224 4994 1 15 . 1 1 8 8 ASP H H 8 8.161 8.161 8.525 -0.364 18224 4995 1 15 . 1 1 9 9 ASN N N 9 117.291 117.291 118.933 -1.642 18224 4996 1 15 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.827 -0.256 18224 4997 1 15 . 1 1 9 9 ASN C C 9 175.142 175.142 174.437 0.705 18224 4998 1 15 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.860 1.074 18224 4999 1 15 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.051 -0.259 18224 5000 1 15 . 1 1 9 9 ASN H H 9 8.013 8.013 8.092 -0.079 18224 5001 1 15 . 1 1 10 10 TYR N N 10 119.112 119.112 120.569 -1.457 18224 5002 1 15 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.249 0.197 18224 5003 1 15 . 1 1 10 10 TYR C C 10 175.513 175.513 175.897 -0.384 18224 5004 1 15 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.525 0.449 18224 5005 1 15 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.987 -0.104 18224 5006 1 15 . 1 1 10 10 TYR H H 10 7.848 7.848 7.993 -0.145 18224 5007 1 15 . 1 1 11 11 TYR N N 11 119.438 119.438 121.349 -1.911 18224 5008 1 15 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.326 0.181 18224 5009 1 15 . 1 1 11 11 TYR C C 11 175.939 175.939 176.505 -0.566 18224 5010 1 15 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.264 -0.967 18224 5011 1 15 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.147 0.820 18224 5012 1 15 . 1 1 11 11 TYR H H 11 7.849 7.849 8.480 -0.631 18224 5013 1 15 . 1 1 12 12 GLY N N 12 109.685 109.685 112.850 -3.165 18224 5014 1 15 . 1 1 12 12 GLY C C 12 174.099 174.099 173.403 0.696 18224 5015 1 15 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.274 0.271 18224 5016 1 15 . 1 1 12 12 GLY H H 12 7.792 7.792 8.186 -0.394 18224 5017 1 15 . 1 1 13 13 ALA N N 13 123.072 123.072 124.146 -1.074 18224 5018 1 15 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.413 -0.138 18224 5019 1 15 . 1 1 13 13 ALA C C 13 177.669 177.669 176.759 0.910 18224 5020 1 15 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.975 0.995 18224 5021 1 15 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.776 -0.486 18224 5022 1 15 . 1 1 13 13 ALA H H 13 7.880 7.880 8.090 -0.210 18224 5023 1 15 . 1 1 14 14 ASP N N 14 117.540 117.540 119.681 -2.141 18224 5024 1 15 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.583 0.066 18224 5025 1 15 . 1 1 14 14 ASP C C 14 175.649 175.649 176.379 -0.730 18224 5026 1 15 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.216 0.748 18224 5027 1 15 . 1 1 14 14 ASP CB C 14 39.683 39.683 38.652 1.031 18224 5028 1 15 . 1 1 14 14 ASP H H 14 8.281 8.281 8.829 -0.548 18224 5029 1 15 . 1 1 15 15 ASN N N 15 118.400 118.400 117.464 0.936 18224 5030 1 15 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.732 -0.046 18224 5031 1 15 . 1 1 15 15 ASN C C 15 175.351 175.351 176.803 -1.452 18224 5032 1 15 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.949 -0.341 18224 5033 1 15 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.654 0.288 18224 5034 1 15 . 1 1 15 15 ASN H H 15 8.137 8.137 8.007 0.130 18224 5035 1 15 . 1 1 16 16 GLN N N 16 120.072 120.072 117.316 2.756 18224 5036 1 15 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.186 0.174 18224 5037 1 15 . 1 1 16 16 GLN C C 16 176.206 176.206 175.671 0.535 18224 5038 1 15 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.776 0.626 18224 5039 1 15 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.106 1.063 18224 5040 1 15 . 1 1 16 16 GLN H H 16 8.284 8.284 8.003 0.281 18224 5041 1 15 . 1 1 17 17 SER N N 17 116.112 116.112 116.021 0.091 18224 5042 1 15 . 1 1 17 17 SER HA H 17 4.440 4.440 4.216 0.224 18224 5043 1 15 . 1 1 17 17 SER C C 17 174.568 174.568 174.124 0.444 18224 5044 1 15 . 1 1 17 17 SER CA C 17 58.911 58.911 59.585 -0.674 18224 5045 1 15 . 1 1 17 17 SER CB C 17 63.897 63.897 62.826 1.071 18224 5046 1 15 . 1 1 17 17 SER H H 17 8.211 8.211 7.872 0.339 18224 5047 1 15 . 1 1 18 18 GLU N N 18 121.378 121.378 126.430 -5.052 18224 5048 1 15 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.550 -0.171 18224 5049 1 15 . 1 1 18 18 GLU C C 18 175.934 175.934 174.707 1.227 18224 5050 1 15 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.459 -0.053 18224 5051 1 15 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.929 -1.796 18224 5052 1 15 . 1 1 18 18 GLU H H 18 8.262 8.262 8.642 -0.380 18224 5053 1 15 . 1 1 19 19 CYS N N 19 119.418 119.418 120.099 -0.681 18224 5054 1 15 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.669 -0.225 18224 5055 1 15 . 1 1 19 19 CYS C C 19 174.568 174.568 174.585 -0.017 18224 5056 1 15 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.933 -0.094 18224 5057 1 15 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.569 -2.595 18224 5058 1 15 . 1 1 19 19 CYS H H 19 8.182 8.182 7.774 0.408 18224 5059 1 15 . 1 1 20 20 GLU N N 20 122.737 122.737 118.045 4.692 18224 5060 1 15 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.097 0.210 18224 5061 1 15 . 1 1 20 20 GLU C C 20 176.083 176.083 174.536 1.547 18224 5062 1 15 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.740 -1.200 18224 5063 1 15 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.904 -0.038 18224 5064 1 15 . 1 1 20 20 GLU H H 20 8.303 8.303 8.768 -0.465 18224 5065 1 15 . 1 1 21 21 TYR N N 21 119.549 119.549 116.933 2.616 18224 5066 1 15 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.532 -0.058 18224 5067 1 15 . 1 1 21 21 TYR C C 21 175.826 175.826 175.432 0.394 18224 5068 1 15 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.343 -0.672 18224 5069 1 15 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.835 -0.246 18224 5070 1 15 . 1 1 21 21 TYR H H 21 7.888 7.888 7.985 -0.097 18224 5071 1 15 . 1 1 22 22 THR N N 22 112.218 112.218 113.228 -1.010 18224 5072 1 15 . 1 1 22 22 THR HA H 22 4.163 4.163 4.191 -0.028 18224 5073 1 15 . 1 1 22 22 THR C C 22 174.737 174.737 174.807 -0.070 18224 5074 1 15 . 1 1 22 22 THR CA C 22 62.778 62.778 63.910 -1.132 18224 5075 1 15 . 1 1 22 22 THR CB C 22 69.531 69.531 69.367 0.164 18224 5076 1 15 . 1 1 22 22 THR H H 22 7.683 7.683 7.915 -0.232 18224 5077 1 15 . 1 1 23 23 ASP N N 23 121.090 121.090 121.203 -0.113 18224 5078 1 15 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.616 0.095 18224 5079 1 15 . 1 1 23 23 ASP C C 23 176.279 176.279 176.720 -0.441 18224 5080 1 15 . 1 1 23 23 ASP CA C 23 54.110 54.110 54.222 -0.112 18224 5081 1 15 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.723 -1.385 18224 5082 1 15 . 1 1 23 23 ASP H H 23 8.059 8.059 8.226 -0.167 18224 5083 1 15 . 1 1 24 24 TRP N N 24 121.546 121.546 121.137 0.409 18224 5084 1 15 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.473 0.013 18224 5085 1 15 . 1 1 24 24 TRP C C 24 177.051 177.051 175.654 1.397 18224 5086 1 15 . 1 1 24 24 TRP CA C 24 58.828 58.828 55.914 2.913 18224 5087 1 15 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.166 0.902 18224 5088 1 15 . 1 1 24 24 TRP H H 24 7.888 7.888 7.918 -0.030 18224 5089 1 15 . 1 1 25 25 LYS N N 25 120.106 120.106 121.287 -1.181 18224 5090 1 15 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.737 0.253 18224 5091 1 15 . 1 1 25 25 LYS C C 25 176.764 176.764 175.362 1.402 18224 5092 1 15 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.193 0.529 18224 5093 1 15 . 1 1 25 25 LYS CB C 25 32.301 32.301 29.611 2.689 18224 5094 1 15 . 1 1 25 25 LYS H H 25 7.620 7.620 8.462 -0.842 18224 5095 1 15 . 1 1 26 26 SER N N 26 114.114 114.114 113.937 0.177 18224 5096 1 15 . 1 1 26 26 SER HA H 26 4.471 4.471 4.074 0.397 18224 5097 1 15 . 1 1 26 26 SER C C 26 175.124 175.124 174.389 0.735 18224 5098 1 15 . 1 1 26 26 SER CA C 26 58.757 58.757 59.476 -0.719 18224 5099 1 15 . 1 1 26 26 SER CB C 26 63.812 63.812 63.927 -0.115 18224 5100 1 15 . 1 1 26 26 SER H H 26 7.796 7.796 7.988 -0.192 18224 5101 1 15 . 1 1 27 27 SER N N 27 116.655 116.655 112.545 4.110 18224 5102 1 15 . 1 1 27 27 SER HA H 27 4.386 4.386 4.372 0.014 18224 5103 1 15 . 1 1 27 27 SER C C 27 175.505 175.505 174.232 1.273 18224 5104 1 15 . 1 1 27 27 SER CA C 27 59.611 59.611 59.160 0.451 18224 5105 1 15 . 1 1 27 27 SER CB C 27 64.117 64.117 63.472 0.645 18224 5106 1 15 . 1 1 27 27 SER H H 27 8.046 8.046 8.149 -0.103 18224 5107 1 15 . 1 1 28 28 GLY N N 28 111.049 111.049 108.860 2.189 18224 5108 1 15 . 1 1 28 28 GLY C C 28 174.495 174.495 173.600 0.895 18224 5109 1 15 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.743 0.378 18224 5110 1 15 . 1 1 28 28 GLY H H 28 8.304 8.304 8.249 0.055 18224 5111 1 15 . 1 1 29 29 ALA N N 29 121.693 121.693 119.511 2.182 18224 5112 1 15 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.920 0.429 18224 5113 1 15 . 1 1 29 29 ALA C C 29 177.695 177.695 176.590 1.105 18224 5114 1 15 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.840 0.271 18224 5115 1 15 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.352 2.612 18224 5116 1 15 . 1 1 29 29 ALA H H 29 7.941 7.941 8.043 -0.102 18224 5117 1 15 . 1 1 30 30 LEU N N 30 117.996 117.996 117.421 0.575 18224 5118 1 15 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.480 -0.298 18224 5119 1 15 . 1 1 30 30 LEU C C 30 177.484 177.484 178.011 -0.527 18224 5120 1 15 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.235 2.735 18224 5121 1 15 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.581 -0.159 18224 5122 1 15 . 1 1 30 30 LEU H H 30 7.968 7.968 7.949 0.019 18224 5123 1 15 . 1 1 31 31 ILE N N 31 117.106 117.106 119.794 -2.688 18224 5124 1 15 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.283 -0.344 18224 5125 1 15 . 1 1 31 31 ILE C C 31 174.998 174.998 175.161 -0.163 18224 5126 1 15 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.322 1.600 18224 5127 1 15 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.635 -0.527 18224 5128 1 15 . 1 1 31 31 ILE H H 31 8.027 8.027 8.066 -0.039 18224 5129 1 15 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.335 -0.051 18224 5130 1 15 . 1 1 32 32 PRO C C 32 178.663 178.663 178.067 0.596 18224 5131 1 15 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.518 0.475 18224 5132 1 15 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.806 0.250 18224 5133 1 15 . 1 1 33 33 ALA N N 33 119.031 119.031 118.229 0.802 18224 5134 1 15 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.168 -0.002 18224 5135 1 15 . 1 1 33 33 ALA C C 33 178.942 178.942 179.829 -0.887 18224 5136 1 15 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.763 0.777 18224 5137 1 15 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.599 -0.114 18224 5138 1 15 . 1 1 33 33 ALA H H 33 7.580 7.580 8.268 -0.688 18224 5139 1 15 . 1 1 34 34 ILE N N 34 117.923 117.923 118.431 -0.508 18224 5140 1 15 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.981 -0.282 18224 5141 1 15 . 1 1 34 34 ILE C C 34 177.833 177.833 177.255 0.578 18224 5142 1 15 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.271 2.841 18224 5143 1 15 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.949 -0.598 18224 5144 1 15 . 1 1 34 34 ILE H H 34 8.234 8.234 7.562 0.671 18224 5145 1 15 . 1 1 35 35 TYR N N 35 118.746 118.746 120.990 -2.244 18224 5146 1 15 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.141 -0.026 18224 5147 1 15 . 1 1 35 35 TYR C C 35 178.044 178.044 176.992 1.052 18224 5148 1 15 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.967 -0.209 18224 5149 1 15 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.665 -0.650 18224 5150 1 15 . 1 1 35 35 TYR H H 35 8.355 8.355 7.903 0.452 18224 5151 1 15 . 1 1 36 36 MET N N 36 117.813 117.813 117.506 0.307 18224 5152 1 15 . 1 1 36 36 MET HA H 36 4.281 4.281 4.371 -0.090 18224 5153 1 15 . 1 1 36 36 MET C C 36 178.139 178.139 178.425 -0.286 18224 5154 1 15 . 1 1 36 36 MET CA C 36 58.482 58.482 58.472 0.010 18224 5155 1 15 . 1 1 36 36 MET CB C 36 31.716 31.716 32.870 -1.154 18224 5156 1 15 . 1 1 36 36 MET H H 36 8.107 8.107 7.893 0.214 18224 5157 1 15 . 1 1 37 37 LEU N N 37 120.311 120.311 120.632 -0.321 18224 5158 1 15 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.075 -0.000 18224 5159 1 15 . 1 1 37 37 LEU C C 37 178.399 178.399 178.211 0.188 18224 5160 1 15 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.588 0.882 18224 5161 1 15 . 1 1 37 37 LEU CB C 37 41.953 41.953 42.025 -0.072 18224 5162 1 15 . 1 1 37 37 LEU H H 37 8.229 8.229 7.691 0.538 18224 5163 1 15 . 1 1 38 38 VAL N N 38 118.080 118.080 115.617 2.463 18224 5164 1 15 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.952 -0.427 18224 5165 1 15 . 1 1 38 38 VAL C C 38 178.139 178.139 176.218 1.921 18224 5166 1 15 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.578 2.574 18224 5167 1 15 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.878 -0.428 18224 5168 1 15 . 1 1 38 38 VAL H H 38 8.363 8.363 7.524 0.839 18224 5169 1 15 . 1 1 39 39 PHE N N 39 120.151 120.151 120.608 -0.457 18224 5170 1 15 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.648 -0.425 18224 5171 1 15 . 1 1 39 39 PHE C C 39 178.544 178.544 175.195 3.349 18224 5172 1 15 . 1 1 39 39 PHE CA C 39 61.326 61.326 58.832 2.494 18224 5173 1 15 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.732 -1.816 18224 5174 1 15 . 1 1 39 39 PHE H H 39 8.306 8.306 8.198 0.108 18224 5175 1 15 . 1 1 40 40 LEU N N 40 121.004 121.004 113.755 7.249 18224 5176 1 15 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.699 -0.676 18224 5177 1 15 . 1 1 40 40 LEU C C 40 179.704 179.704 176.976 2.728 18224 5178 1 15 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.229 2.709 18224 5179 1 15 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.287 0.005 18224 5180 1 15 . 1 1 40 40 LEU H H 40 8.567 8.567 7.462 1.105 18224 5181 1 15 . 1 1 41 41 LEU N N 41 119.593 119.593 122.962 -3.369 18224 5182 1 15 . 1 1 41 41 LEU HA H 41 4.061 4.061 3.973 0.088 18224 5183 1 15 . 1 1 41 41 LEU C C 41 178.966 178.966 177.353 1.613 18224 5184 1 15 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.455 0.241 18224 5185 1 15 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.201 -0.409 18224 5186 1 15 . 1 1 41 41 LEU H H 41 8.503 8.503 7.534 0.969 18224 5187 1 15 . 1 1 42 42 GLY N N 42 105.838 105.838 100.898 4.940 18224 5188 1 15 . 1 1 42 42 GLY C C 42 175.587 175.587 174.249 1.338 18224 5189 1 15 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.933 1.637 18224 5190 1 15 . 1 1 42 42 GLY H H 42 8.355 8.355 7.548 0.807 18224 5191 1 15 . 1 1 43 43 THR N N 43 112.333 112.333 115.234 -2.901 18224 5192 1 15 . 1 1 43 43 THR HA H 43 4.290 4.290 4.373 -0.083 18224 5193 1 15 . 1 1 43 43 THR C C 43 175.765 175.765 175.436 0.329 18224 5194 1 15 . 1 1 43 43 THR CA C 43 63.680 63.680 62.978 0.702 18224 5195 1 15 . 1 1 43 43 THR CB C 43 69.626 69.626 69.369 0.257 18224 5196 1 15 . 1 1 43 43 THR H H 43 7.895 7.895 8.220 -0.325 18224 5197 1 15 . 1 1 44 44 THR N N 44 112.041 112.041 114.659 -2.618 18224 5198 1 15 . 1 1 44 44 THR HA H 44 4.388 4.388 4.307 0.081 18224 5199 1 15 . 1 1 44 44 THR C C 44 175.555 175.555 175.786 -0.231 18224 5200 1 15 . 1 1 44 44 THR CA C 44 62.732 62.732 62.673 0.059 18224 5201 1 15 . 1 1 44 44 THR CB C 44 70.240 70.240 69.338 0.902 18224 5202 1 15 . 1 1 44 44 THR H H 44 7.684 7.684 7.751 -0.067 18224 5203 1 15 . 1 1 45 45 GLY N N 45 109.756 109.756 111.087 -1.331 18224 5204 1 15 . 1 1 45 45 GLY C C 45 174.948 174.948 173.686 1.262 18224 5205 1 15 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.553 1.799 18224 5206 1 15 . 1 1 45 45 GLY H H 45 8.058 8.058 8.476 -0.418 18224 5207 1 15 . 1 1 46 46 ASN N N 46 117.561 117.561 117.930 -0.369 18224 5208 1 15 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.421 0.424 18224 5209 1 15 . 1 1 46 46 ASN C C 46 175.853 175.853 175.486 0.367 18224 5210 1 15 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.138 0.954 18224 5211 1 15 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.380 1.133 18224 5212 1 15 . 1 1 46 46 ASN H H 46 8.202 8.202 8.434 -0.232 18224 5213 1 15 . 1 1 47 47 GLY N N 47 108.715 108.715 107.101 1.614 18224 5214 1 15 . 1 1 47 47 GLY C C 47 174.431 174.431 174.581 -0.150 18224 5215 1 15 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.446 1.715 18224 5216 1 15 . 1 1 47 47 GLY H H 47 8.600 8.600 8.474 0.126 18224 5217 1 15 . 1 1 48 48 LEU N N 48 120.089 120.089 120.911 -0.822 18224 5218 1 15 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.791 -0.472 18224 5219 1 15 . 1 1 48 48 LEU C C 48 179.243 179.243 178.035 1.208 18224 5220 1 15 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.984 1.331 18224 5221 1 15 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.984 -0.146 18224 5222 1 15 . 1 1 48 48 LEU H H 48 8.003 8.003 7.578 0.425 18224 5223 1 15 . 1 1 49 49 VAL N N 49 120.573 120.573 118.609 1.964 18224 5224 1 15 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.891 -0.070 18224 5225 1 15 . 1 1 49 49 VAL C C 49 177.520 177.520 178.168 -0.648 18224 5226 1 15 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.067 -0.005 18224 5227 1 15 . 1 1 49 49 VAL CB C 49 31.488 31.488 30.851 0.637 18224 5228 1 15 . 1 1 49 49 VAL H H 49 7.910 7.910 8.238 -0.328 18224 5229 1 15 . 1 1 50 50 LEU N N 50 119.718 119.718 119.107 0.611 18224 5230 1 15 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.332 -0.305 18224 5231 1 15 . 1 1 50 50 LEU C C 50 178.169 178.169 178.772 -0.603 18224 5232 1 15 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.714 0.338 18224 5233 1 15 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.396 0.345 18224 5234 1 15 . 1 1 50 50 LEU H H 50 7.860 7.860 8.021 -0.161 18224 5235 1 15 . 1 1 51 51 TRP N N 51 118.071 118.071 121.512 -3.441 18224 5236 1 15 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.336 0.206 18224 5237 1 15 . 1 1 51 51 TRP C C 51 177.296 177.296 177.787 -0.491 18224 5238 1 15 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.251 -0.333 18224 5239 1 15 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.562 1.413 18224 5240 1 15 . 1 1 51 51 TRP H H 51 8.109 8.109 8.148 -0.039 18224 5241 1 15 . 1 1 52 52 THR N N 52 113.243 113.243 116.389 -3.146 18224 5242 1 15 . 1 1 52 52 THR HA H 52 3.773 3.773 3.474 0.299 18224 5243 1 15 . 1 1 52 52 THR C C 52 176.402 176.402 176.086 0.316 18224 5244 1 15 . 1 1 52 52 THR CA C 52 66.690 66.690 67.073 -0.383 18224 5245 1 15 . 1 1 52 52 THR CB C 52 68.921 68.921 68.236 0.685 18224 5246 1 15 . 1 1 52 52 THR H H 52 8.072 8.072 7.559 0.513 18224 5247 1 15 . 1 1 53 53 VAL N N 53 120.307 120.307 122.224 -1.917 18224 5248 1 15 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.661 0.002 18224 5249 1 15 . 1 1 53 53 VAL C C 53 177.362 177.362 177.808 -0.446 18224 5250 1 15 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.150 0.142 18224 5251 1 15 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.341 0.376 18224 5252 1 15 . 1 1 53 53 VAL H H 53 8.006 8.006 7.275 0.731 18224 5253 1 15 . 1 1 54 54 PHE N N 54 119.041 119.041 118.138 0.903 18224 5254 1 15 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.147 0.081 18224 5255 1 15 . 1 1 54 54 PHE C C 54 177.476 177.476 176.830 0.646 18224 5256 1 15 . 1 1 54 54 PHE CA C 54 60.892 60.892 61.571 -0.679 18224 5257 1 15 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.042 -0.446 18224 5258 1 15 . 1 1 54 54 PHE H H 54 8.143 8.143 7.945 0.198 18224 5259 1 15 . 1 1 55 55 ARG N N 55 117.543 117.543 118.837 -1.294 18224 5260 1 15 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.737 0.126 18224 5261 1 15 . 1 1 55 55 ARG C C 55 177.832 177.832 178.406 -0.574 18224 5262 1 15 . 1 1 55 55 ARG CA C 55 57.706 57.706 58.386 -0.680 18224 5263 1 15 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.870 -0.394 18224 5264 1 15 . 1 1 55 55 ARG H H 55 8.112 8.112 7.261 0.851 18224 5265 1 15 . 1 1 56 56 LYS N N 56 118.390 118.390 118.591 -0.201 18224 5266 1 15 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.956 0.207 18224 5267 1 15 . 1 1 56 56 LYS C C 56 177.400 177.400 179.305 -1.905 18224 5268 1 15 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.892 -1.182 18224 5269 1 15 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.235 0.544 18224 5270 1 15 . 1 1 56 56 LYS H H 56 7.789 7.789 7.980 -0.191 18224 5271 1 15 . 1 1 57 57 LYS N N 57 118.190 118.190 120.442 -2.252 18224 5272 1 15 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.144 0.115 18224 5273 1 15 . 1 1 57 57 LYS C C 57 176.791 176.791 176.604 0.187 18224 5274 1 15 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.757 0.668 18224 5275 1 15 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.589 2.234 18224 5276 1 15 . 1 1 57 57 LYS H H 57 7.821 7.821 7.569 0.252 18224 5277 1 15 . 1 1 58 58 GLY N N 58 107.289 107.289 108.156 -0.867 18224 5278 1 15 . 1 1 58 58 GLY C C 58 173.607 173.607 174.229 -0.622 18224 5279 1 15 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.951 0.523 18224 5280 1 15 . 1 1 58 58 GLY H H 58 7.927 7.927 8.328 -0.401 18224 5281 1 15 . 1 1 59 59 HIS N N 59 116.847 116.847 117.022 -0.175 18224 5282 1 15 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.846 -0.153 18224 5283 1 15 . 1 1 59 59 HIS C C 59 174.153 174.153 175.089 -0.936 18224 5284 1 15 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.145 -0.987 18224 5285 1 15 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.350 -2.435 18224 5286 1 15 . 1 1 59 59 HIS H H 59 8.120 8.120 8.467 -0.347 18224 5287 1 15 . 1 1 60 60 HIS N N 60 118.028 118.028 118.403 -0.375 18224 5288 1 15 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.846 -0.154 18224 5289 1 15 . 1 1 60 60 HIS C C 60 173.987 173.987 174.085 -0.098 18224 5290 1 15 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.070 -0.562 18224 5291 1 15 . 1 1 60 60 HIS CB C 60 28.825 28.825 31.182 -2.357 18224 5292 1 15 . 1 1 60 60 HIS H H 60 8.328 8.328 8.156 0.172 18224 5293 1 15 . 1 1 61 61 HIS N N 61 118.101 118.101 119.218 -1.117 18224 5294 1 15 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.435 0.255 18224 5295 1 15 . 1 1 61 61 HIS C C 61 174.032 174.032 173.791 0.241 18224 5296 1 15 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.843 -1.125 18224 5297 1 15 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.336 -0.441 18224 5298 1 15 . 1 1 61 61 HIS H H 61 8.351 8.351 8.303 0.048 18224 5299 1 15 . 1 1 62 62 HIS N N 62 118.704 118.704 123.607 -4.903 18224 5300 1 15 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.607 0.094 18224 5301 1 15 . 1 1 62 62 HIS C C 62 173.803 173.803 174.122 -0.319 18224 5302 1 15 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.395 0.209 18224 5303 1 15 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.470 -1.307 18224 5304 1 15 . 1 1 62 62 HIS H H 62 8.381 8.381 8.508 -0.127 18224 5305 1 15 . 1 1 63 63 HIS N N 63 118.853 118.853 121.843 -2.990 18224 5306 1 15 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.522 0.159 18224 5307 1 15 . 1 1 63 63 HIS C C 63 173.576 173.576 176.520 -2.944 18224 5308 1 15 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.015 -1.317 18224 5309 1 15 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.745 -1.612 18224 5310 1 15 . 1 1 63 63 HIS H H 63 8.299 8.299 8.461 -0.162 18224 5311 1 16 . 1 1 2 2 GLU N N 2 122.762 122.762 123.174 -0.412 18224 5312 1 16 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.598 -0.160 18224 5313 1 16 . 1 1 2 2 GLU C C 2 175.581 175.581 175.196 0.385 18224 5314 1 16 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.891 -0.531 18224 5315 1 16 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.402 -0.820 18224 5316 1 16 . 1 1 2 2 GLU H H 2 8.628 8.628 8.699 -0.071 18224 5317 1 16 . 1 1 3 3 GLU N N 3 121.071 121.071 121.478 -0.407 18224 5318 1 16 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.528 -0.147 18224 5319 1 16 . 1 1 3 3 GLU C C 3 176.457 176.457 176.375 0.082 18224 5320 1 16 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.225 0.123 18224 5321 1 16 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.977 -0.778 18224 5322 1 16 . 1 1 3 3 GLU H H 3 8.393 8.393 8.671 -0.278 18224 5323 1 16 . 1 1 4 4 GLY N N 4 109.717 109.717 108.237 1.480 18224 5324 1 16 . 1 1 4 4 GLY C C 4 174.677 174.677 174.575 0.102 18224 5325 1 16 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.458 1.183 18224 5326 1 16 . 1 1 4 4 GLY H H 4 8.377 8.377 8.269 0.108 18224 5327 1 16 . 1 1 5 5 GLY N N 5 108.373 108.373 109.187 -0.814 18224 5328 1 16 . 1 1 5 5 GLY C C 5 174.047 174.047 173.918 0.129 18224 5329 1 16 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.315 1.257 18224 5330 1 16 . 1 1 5 5 GLY H H 5 8.115 8.115 8.143 -0.028 18224 5331 1 16 . 1 1 6 6 ASP N N 6 118.996 118.996 120.525 -1.529 18224 5332 1 16 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.167 0.482 18224 5333 1 16 . 1 1 6 6 ASP C C 6 175.903 175.903 175.914 -0.011 18224 5334 1 16 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.174 -0.129 18224 5335 1 16 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.053 -1.709 18224 5336 1 16 . 1 1 6 6 ASP H H 6 8.166 8.166 7.841 0.325 18224 5337 1 16 . 1 1 7 7 PHE N N 7 119.750 119.750 126.028 -6.278 18224 5338 1 16 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.288 0.262 18224 5339 1 16 . 1 1 7 7 PHE C C 7 175.919 175.919 175.056 0.863 18224 5340 1 16 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.629 1.303 18224 5341 1 16 . 1 1 7 7 PHE CB C 7 39.180 39.180 38.292 0.888 18224 5342 1 16 . 1 1 7 7 PHE H H 7 8.151 8.151 8.526 -0.375 18224 5343 1 16 . 1 1 8 8 ASP N N 8 118.526 118.526 120.660 -2.134 18224 5344 1 16 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.136 0.362 18224 5345 1 16 . 1 1 8 8 ASP C C 8 175.787 175.787 175.043 0.744 18224 5346 1 16 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.892 -0.257 18224 5347 1 16 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.020 -0.817 18224 5348 1 16 . 1 1 8 8 ASP H H 8 8.161 8.161 8.397 -0.236 18224 5349 1 16 . 1 1 9 9 ASN N N 9 117.291 117.291 116.754 0.537 18224 5350 1 16 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.730 -0.159 18224 5351 1 16 . 1 1 9 9 ASN C C 9 175.142 175.142 174.069 1.073 18224 5352 1 16 . 1 1 9 9 ASN CA C 9 53.934 53.934 51.987 1.947 18224 5353 1 16 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.835 -0.043 18224 5354 1 16 . 1 1 9 9 ASN H H 9 8.013 8.013 7.783 0.230 18224 5355 1 16 . 1 1 10 10 TYR N N 10 119.112 119.112 119.448 -0.336 18224 5356 1 16 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.242 0.204 18224 5357 1 16 . 1 1 10 10 TYR C C 10 175.513 175.513 176.170 -0.657 18224 5358 1 16 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.757 0.217 18224 5359 1 16 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.131 0.752 18224 5360 1 16 . 1 1 10 10 TYR H H 10 7.848 7.848 7.645 0.203 18224 5361 1 16 . 1 1 11 11 TYR N N 11 119.438 119.438 125.337 -5.899 18224 5362 1 16 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.288 0.219 18224 5363 1 16 . 1 1 11 11 TYR C C 11 175.939 175.939 177.282 -1.343 18224 5364 1 16 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.153 -0.856 18224 5365 1 16 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.916 0.050 18224 5366 1 16 . 1 1 11 11 TYR H H 11 7.849 7.849 8.499 -0.650 18224 5367 1 16 . 1 1 12 12 GLY N N 12 109.685 109.685 107.727 1.958 18224 5368 1 16 . 1 1 12 12 GLY C C 12 174.099 174.099 174.147 -0.048 18224 5369 1 16 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.359 1.186 18224 5370 1 16 . 1 1 12 12 GLY H H 12 7.792 7.792 8.501 -0.709 18224 5371 1 16 . 1 1 13 13 ALA N N 13 123.072 123.072 127.620 -4.548 18224 5372 1 16 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.268 0.007 18224 5373 1 16 . 1 1 13 13 ALA C C 13 177.669 177.669 177.309 0.360 18224 5374 1 16 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.040 0.930 18224 5375 1 16 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.391 0.899 18224 5376 1 16 . 1 1 13 13 ALA H H 13 7.880 7.880 8.439 -0.559 18224 5377 1 16 . 1 1 14 14 ASP N N 14 117.540 117.540 122.296 -4.756 18224 5378 1 16 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.647 0.002 18224 5379 1 16 . 1 1 14 14 ASP C C 14 175.649 175.649 175.000 0.649 18224 5380 1 16 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.892 0.072 18224 5381 1 16 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.439 0.244 18224 5382 1 16 . 1 1 14 14 ASP H H 14 8.281 8.281 8.335 -0.054 18224 5383 1 16 . 1 1 15 15 ASN N N 15 118.400 118.400 118.024 0.376 18224 5384 1 16 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.729 -0.043 18224 5385 1 16 . 1 1 15 15 ASN C C 15 175.351 175.351 175.866 -0.515 18224 5386 1 16 . 1 1 15 15 ASN CA C 15 53.608 53.608 52.967 0.641 18224 5387 1 16 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.196 -0.254 18224 5388 1 16 . 1 1 15 15 ASN H H 15 8.137 8.137 7.650 0.487 18224 5389 1 16 . 1 1 16 16 GLN N N 16 120.072 120.072 119.276 0.796 18224 5390 1 16 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.063 0.297 18224 5391 1 16 . 1 1 16 16 GLN C C 16 176.206 176.206 176.525 -0.319 18224 5392 1 16 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.943 -0.541 18224 5393 1 16 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.488 1.681 18224 5394 1 16 . 1 1 16 16 GLN H H 16 8.284 8.284 8.225 0.059 18224 5395 1 16 . 1 1 17 17 SER N N 17 116.112 116.112 116.200 -0.088 18224 5396 1 16 . 1 1 17 17 SER HA H 17 4.440 4.440 4.316 0.124 18224 5397 1 16 . 1 1 17 17 SER C C 17 174.568 174.568 175.010 -0.442 18224 5398 1 16 . 1 1 17 17 SER CA C 17 58.911 58.911 58.750 0.161 18224 5399 1 16 . 1 1 17 17 SER CB C 17 63.897 63.897 63.589 0.308 18224 5400 1 16 . 1 1 17 17 SER H H 17 8.211 8.211 7.754 0.457 18224 5401 1 16 . 1 1 18 18 GLU N N 18 121.378 121.378 120.909 0.469 18224 5402 1 16 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.061 0.318 18224 5403 1 16 . 1 1 18 18 GLU C C 18 175.934 175.934 176.389 -0.455 18224 5404 1 16 . 1 1 18 18 GLU CA C 18 56.406 56.406 57.057 -0.651 18224 5405 1 16 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.105 0.028 18224 5406 1 16 . 1 1 18 18 GLU H H 18 8.262 8.262 8.732 -0.470 18224 5407 1 16 . 1 1 19 19 CYS N N 19 119.418 119.418 119.613 -0.195 18224 5408 1 16 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.195 0.249 18224 5409 1 16 . 1 1 19 19 CYS C C 19 174.568 174.568 175.848 -1.280 18224 5410 1 16 . 1 1 19 19 CYS CA C 19 58.839 58.839 60.698 -1.859 18224 5411 1 16 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.058 -0.085 18224 5412 1 16 . 1 1 19 19 CYS H H 19 8.182 8.182 8.633 -0.451 18224 5413 1 16 . 1 1 20 20 GLU N N 20 122.737 122.737 118.415 4.322 18224 5414 1 16 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.237 0.070 18224 5415 1 16 . 1 1 20 20 GLU C C 20 176.083 176.083 174.903 1.180 18224 5416 1 16 . 1 1 20 20 GLU CA C 20 56.540 56.540 55.971 0.569 18224 5417 1 16 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.144 -1.278 18224 5418 1 16 . 1 1 20 20 GLU H H 20 8.303 8.303 8.359 -0.056 18224 5419 1 16 . 1 1 21 21 TYR N N 21 119.549 119.549 115.796 3.753 18224 5420 1 16 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.020 0.454 18224 5421 1 16 . 1 1 21 21 TYR C C 21 175.826 175.826 174.040 1.786 18224 5422 1 16 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.629 0.042 18224 5423 1 16 . 1 1 21 21 TYR CB C 21 38.589 38.589 35.738 2.851 18224 5424 1 16 . 1 1 21 21 TYR H H 21 7.888 7.888 7.933 -0.045 18224 5425 1 16 . 1 1 22 22 THR N N 22 112.218 112.218 111.256 0.962 18224 5426 1 16 . 1 1 22 22 THR HA H 22 4.163 4.163 3.776 0.387 18224 5427 1 16 . 1 1 22 22 THR C C 22 174.737 174.737 174.010 0.727 18224 5428 1 16 . 1 1 22 22 THR CA C 22 62.778 62.778 62.450 0.328 18224 5429 1 16 . 1 1 22 22 THR CB C 22 69.531 69.531 68.501 1.030 18224 5430 1 16 . 1 1 22 22 THR H H 22 7.683 7.683 7.380 0.303 18224 5431 1 16 . 1 1 23 23 ASP N N 23 121.090 121.090 120.514 0.576 18224 5432 1 16 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.799 -0.088 18224 5433 1 16 . 1 1 23 23 ASP C C 23 176.279 176.279 176.929 -0.650 18224 5434 1 16 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.087 1.023 18224 5435 1 16 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.478 -1.140 18224 5436 1 16 . 1 1 23 23 ASP H H 23 8.059 8.059 7.663 0.396 18224 5437 1 16 . 1 1 24 24 TRP N N 24 121.546 121.546 122.150 -0.604 18224 5438 1 16 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.472 0.014 18224 5439 1 16 . 1 1 24 24 TRP C C 24 177.051 177.051 177.066 -0.015 18224 5440 1 16 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.169 0.659 18224 5441 1 16 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.062 1.006 18224 5442 1 16 . 1 1 24 24 TRP H H 24 7.888 7.888 7.251 0.637 18224 5443 1 16 . 1 1 25 25 LYS N N 25 120.106 120.106 119.534 0.572 18224 5444 1 16 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.455 -0.465 18224 5445 1 16 . 1 1 25 25 LYS C C 25 176.764 176.764 176.278 0.486 18224 5446 1 16 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.627 1.095 18224 5447 1 16 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.332 1.969 18224 5448 1 16 . 1 1 25 25 LYS H H 25 7.620 7.620 8.404 -0.784 18224 5449 1 16 . 1 1 26 26 SER N N 26 114.114 114.114 115.002 -0.888 18224 5450 1 16 . 1 1 26 26 SER HA H 26 4.471 4.471 4.605 -0.134 18224 5451 1 16 . 1 1 26 26 SER C C 26 175.124 175.124 175.982 -0.858 18224 5452 1 16 . 1 1 26 26 SER CA C 26 58.757 58.757 59.215 -0.458 18224 5453 1 16 . 1 1 26 26 SER CB C 26 63.812 63.812 63.963 -0.151 18224 5454 1 16 . 1 1 26 26 SER H H 26 7.796 7.796 8.186 -0.390 18224 5455 1 16 . 1 1 27 27 SER N N 27 116.655 116.655 117.843 -1.188 18224 5456 1 16 . 1 1 27 27 SER HA H 27 4.386 4.386 4.267 0.119 18224 5457 1 16 . 1 1 27 27 SER C C 27 175.505 175.505 175.453 0.052 18224 5458 1 16 . 1 1 27 27 SER CA C 27 59.611 59.611 60.508 -0.897 18224 5459 1 16 . 1 1 27 27 SER CB C 27 64.117 64.117 63.301 0.816 18224 5460 1 16 . 1 1 27 27 SER H H 27 8.046 8.046 8.510 -0.464 18224 5461 1 16 . 1 1 28 28 GLY N N 28 111.049 111.049 105.938 5.111 18224 5462 1 16 . 1 1 28 28 GLY C C 28 174.495 174.495 173.435 1.060 18224 5463 1 16 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.622 1.499 18224 5464 1 16 . 1 1 28 28 GLY H H 28 8.304 8.304 7.537 0.767 18224 5465 1 16 . 1 1 29 29 ALA N N 29 121.693 121.693 121.329 0.364 18224 5466 1 16 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.146 0.203 18224 5467 1 16 . 1 1 29 29 ALA C C 29 177.695 177.695 176.659 1.036 18224 5468 1 16 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.608 0.503 18224 5469 1 16 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.895 2.069 18224 5470 1 16 . 1 1 29 29 ALA H H 29 7.941 7.941 7.831 0.110 18224 5471 1 16 . 1 1 30 30 LEU N N 30 117.996 117.996 120.706 -2.710 18224 5472 1 16 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.564 -0.382 18224 5473 1 16 . 1 1 30 30 LEU C C 30 177.484 177.484 175.797 1.687 18224 5474 1 16 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.191 2.779 18224 5475 1 16 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.761 -0.339 18224 5476 1 16 . 1 1 30 30 LEU H H 30 7.968 7.968 8.097 -0.129 18224 5477 1 16 . 1 1 31 31 ILE N N 31 117.106 117.106 118.616 -1.510 18224 5478 1 16 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.142 -0.203 18224 5479 1 16 . 1 1 31 31 ILE C C 31 174.998 174.998 175.151 -0.153 18224 5480 1 16 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.666 3.256 18224 5481 1 16 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.994 -1.886 18224 5482 1 16 . 1 1 31 31 ILE H H 31 8.027 8.027 8.144 -0.117 18224 5483 1 16 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.532 -0.248 18224 5484 1 16 . 1 1 32 32 PRO C C 32 178.663 178.663 177.604 1.059 18224 5485 1 16 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.496 0.497 18224 5486 1 16 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.073 -0.017 18224 5487 1 16 . 1 1 33 33 ALA N N 33 119.031 119.031 118.439 0.592 18224 5488 1 16 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.255 -0.089 18224 5489 1 16 . 1 1 33 33 ALA C C 33 178.942 178.942 178.467 0.475 18224 5490 1 16 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.096 1.444 18224 5491 1 16 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.073 0.412 18224 5492 1 16 . 1 1 33 33 ALA H H 33 7.580 7.580 8.557 -0.977 18224 5493 1 16 . 1 1 34 34 ILE N N 34 117.923 117.923 115.811 2.112 18224 5494 1 16 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.145 -0.446 18224 5495 1 16 . 1 1 34 34 ILE C C 34 177.833 177.833 175.890 1.943 18224 5496 1 16 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.314 2.798 18224 5497 1 16 . 1 1 34 34 ILE CB C 34 37.351 37.351 39.040 -1.689 18224 5498 1 16 . 1 1 34 34 ILE H H 34 8.234 8.234 7.446 0.788 18224 5499 1 16 . 1 1 35 35 TYR N N 35 118.746 118.746 119.273 -0.527 18224 5500 1 16 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.368 -0.253 18224 5501 1 16 . 1 1 35 35 TYR C C 35 178.044 178.044 177.741 0.303 18224 5502 1 16 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.201 0.557 18224 5503 1 16 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.578 -1.563 18224 5504 1 16 . 1 1 35 35 TYR H H 35 8.355 8.355 7.557 0.798 18224 5505 1 16 . 1 1 36 36 MET N N 36 117.813 117.813 118.116 -0.303 18224 5506 1 16 . 1 1 36 36 MET HA H 36 4.281 4.281 4.386 -0.105 18224 5507 1 16 . 1 1 36 36 MET C C 36 178.139 178.139 178.011 0.128 18224 5508 1 16 . 1 1 36 36 MET CA C 36 58.482 58.482 59.000 -0.518 18224 5509 1 16 . 1 1 36 36 MET CB C 36 31.716 31.716 32.449 -0.733 18224 5510 1 16 . 1 1 36 36 MET H H 36 8.107 8.107 8.131 -0.024 18224 5511 1 16 . 1 1 37 37 LEU N N 37 120.311 120.311 119.289 1.022 18224 5512 1 16 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.119 -0.044 18224 5513 1 16 . 1 1 37 37 LEU C C 37 178.399 178.399 178.070 0.329 18224 5514 1 16 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.066 0.404 18224 5515 1 16 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.421 0.532 18224 5516 1 16 . 1 1 37 37 LEU H H 37 8.229 8.229 8.406 -0.177 18224 5517 1 16 . 1 1 38 38 VAL N N 38 118.080 118.080 116.633 1.447 18224 5518 1 16 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.912 -0.387 18224 5519 1 16 . 1 1 38 38 VAL C C 38 178.139 178.139 176.968 1.171 18224 5520 1 16 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.303 2.849 18224 5521 1 16 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.631 -1.181 18224 5522 1 16 . 1 1 38 38 VAL H H 38 8.363 8.363 7.391 0.972 18224 5523 1 16 . 1 1 39 39 PHE N N 39 120.151 120.151 121.485 -1.334 18224 5524 1 16 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.411 -0.188 18224 5525 1 16 . 1 1 39 39 PHE C C 39 178.544 178.544 176.623 1.921 18224 5526 1 16 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.789 -0.463 18224 5527 1 16 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.678 -1.762 18224 5528 1 16 . 1 1 39 39 PHE H H 39 8.306 8.306 8.122 0.184 18224 5529 1 16 . 1 1 40 40 LEU N N 40 121.004 121.004 118.007 2.997 18224 5530 1 16 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.675 -0.652 18224 5531 1 16 . 1 1 40 40 LEU C C 40 179.704 179.704 178.369 1.335 18224 5532 1 16 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.059 0.878 18224 5533 1 16 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.219 1.073 18224 5534 1 16 . 1 1 40 40 LEU H H 40 8.567 8.567 8.409 0.158 18224 5535 1 16 . 1 1 41 41 LEU N N 41 119.593 119.593 118.665 0.928 18224 5536 1 16 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.053 0.008 18224 5537 1 16 . 1 1 41 41 LEU C C 41 178.966 178.966 178.495 0.471 18224 5538 1 16 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.701 0.995 18224 5539 1 16 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.937 -0.145 18224 5540 1 16 . 1 1 41 41 LEU H H 41 8.503 8.503 7.931 0.572 18224 5541 1 16 . 1 1 42 42 GLY N N 42 105.838 105.838 104.837 1.001 18224 5542 1 16 . 1 1 42 42 GLY C C 42 175.587 175.587 174.643 0.944 18224 5543 1 16 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.888 0.682 18224 5544 1 16 . 1 1 42 42 GLY H H 42 8.355 8.355 7.637 0.718 18224 5545 1 16 . 1 1 43 43 THR N N 43 112.333 112.333 112.441 -0.108 18224 5546 1 16 . 1 1 43 43 THR HA H 43 4.290 4.290 4.617 -0.327 18224 5547 1 16 . 1 1 43 43 THR C C 43 175.765 175.765 174.443 1.322 18224 5548 1 16 . 1 1 43 43 THR CA C 43 63.680 63.680 60.780 2.900 18224 5549 1 16 . 1 1 43 43 THR CB C 43 69.626 69.626 69.756 -0.130 18224 5550 1 16 . 1 1 43 43 THR H H 43 7.895 7.895 7.589 0.306 18224 5551 1 16 . 1 1 44 44 THR N N 44 112.041 112.041 115.311 -3.270 18224 5552 1 16 . 1 1 44 44 THR HA H 44 4.388 4.388 4.083 0.305 18224 5553 1 16 . 1 1 44 44 THR C C 44 175.555 175.555 174.597 0.958 18224 5554 1 16 . 1 1 44 44 THR CA C 44 62.732 62.732 64.575 -1.843 18224 5555 1 16 . 1 1 44 44 THR CB C 44 70.240 70.240 67.919 2.321 18224 5556 1 16 . 1 1 44 44 THR H H 44 7.684 7.684 8.524 -0.840 18224 5557 1 16 . 1 1 45 45 GLY N N 45 109.756 109.756 111.268 -1.512 18224 5558 1 16 . 1 1 45 45 GLY C C 45 174.948 174.948 172.582 2.366 18224 5559 1 16 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.714 0.638 18224 5560 1 16 . 1 1 45 45 GLY H H 45 8.058 8.058 8.224 -0.166 18224 5561 1 16 . 1 1 46 46 ASN N N 46 117.561 117.561 119.763 -2.202 18224 5562 1 16 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.874 -0.029 18224 5563 1 16 . 1 1 46 46 ASN C C 46 175.853 175.853 175.486 0.367 18224 5564 1 16 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.488 0.604 18224 5565 1 16 . 1 1 46 46 ASN CB C 46 39.513 39.513 40.774 -1.261 18224 5566 1 16 . 1 1 46 46 ASN H H 46 8.202 8.202 7.955 0.247 18224 5567 1 16 . 1 1 47 47 GLY N N 47 108.715 108.715 111.045 -2.330 18224 5568 1 16 . 1 1 47 47 GLY C C 47 174.431 174.431 174.609 -0.178 18224 5569 1 16 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.403 0.758 18224 5570 1 16 . 1 1 47 47 GLY H H 47 8.600 8.600 8.826 -0.226 18224 5571 1 16 . 1 1 48 48 LEU N N 48 120.089 120.089 121.254 -1.165 18224 5572 1 16 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.595 -0.276 18224 5573 1 16 . 1 1 48 48 LEU C C 48 179.243 179.243 178.906 0.337 18224 5574 1 16 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.846 1.470 18224 5575 1 16 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.274 -0.436 18224 5576 1 16 . 1 1 48 48 LEU H H 48 8.003 8.003 7.923 0.080 18224 5577 1 16 . 1 1 49 49 VAL N N 49 120.573 120.573 119.608 0.965 18224 5578 1 16 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.972 -0.151 18224 5579 1 16 . 1 1 49 49 VAL C C 49 177.520 177.520 178.154 -0.634 18224 5580 1 16 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.923 0.139 18224 5581 1 16 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.549 -0.061 18224 5582 1 16 . 1 1 49 49 VAL H H 49 7.910 7.910 7.743 0.167 18224 5583 1 16 . 1 1 50 50 LEU N N 50 119.718 119.718 116.585 3.133 18224 5584 1 16 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.374 -0.347 18224 5585 1 16 . 1 1 50 50 LEU C C 50 178.169 178.169 177.779 0.390 18224 5586 1 16 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.287 0.765 18224 5587 1 16 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.721 1.020 18224 5588 1 16 . 1 1 50 50 LEU H H 50 7.860 7.860 8.070 -0.210 18224 5589 1 16 . 1 1 51 51 TRP N N 51 118.071 118.071 120.510 -2.439 18224 5590 1 16 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.635 -0.093 18224 5591 1 16 . 1 1 51 51 TRP C C 51 177.296 177.296 177.290 0.006 18224 5592 1 16 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.303 0.615 18224 5593 1 16 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.052 0.923 18224 5594 1 16 . 1 1 51 51 TRP H H 51 8.109 8.109 8.094 0.015 18224 5595 1 16 . 1 1 52 52 THR N N 52 113.243 113.243 116.108 -2.865 18224 5596 1 16 . 1 1 52 52 THR HA H 52 3.773 3.773 3.596 0.177 18224 5597 1 16 . 1 1 52 52 THR C C 52 176.402 176.402 176.258 0.144 18224 5598 1 16 . 1 1 52 52 THR CA C 52 66.690 66.690 65.875 0.815 18224 5599 1 16 . 1 1 52 52 THR CB C 52 68.921 68.921 68.395 0.526 18224 5600 1 16 . 1 1 52 52 THR H H 52 8.072 8.072 7.702 0.370 18224 5601 1 16 . 1 1 53 53 VAL N N 53 120.307 120.307 120.040 0.267 18224 5602 1 16 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.738 -0.075 18224 5603 1 16 . 1 1 53 53 VAL C C 53 177.362 177.362 177.141 0.221 18224 5604 1 16 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.540 0.753 18224 5605 1 16 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.512 0.205 18224 5606 1 16 . 1 1 53 53 VAL H H 53 8.006 8.006 7.625 0.381 18224 5607 1 16 . 1 1 54 54 PHE N N 54 119.041 119.041 117.067 1.974 18224 5608 1 16 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.287 -0.059 18224 5609 1 16 . 1 1 54 54 PHE C C 54 177.476 177.476 175.344 2.132 18224 5610 1 16 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.469 1.423 18224 5611 1 16 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.271 -0.675 18224 5612 1 16 . 1 1 54 54 PHE H H 54 8.143 8.143 7.227 0.916 18224 5613 1 16 . 1 1 55 55 ARG N N 55 117.543 117.543 118.807 -1.264 18224 5614 1 16 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.310 0.553 18224 5615 1 16 . 1 1 55 55 ARG C C 55 177.832 177.832 177.797 0.035 18224 5616 1 16 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.075 0.631 18224 5617 1 16 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.852 -0.376 18224 5618 1 16 . 1 1 55 55 ARG H H 55 8.112 8.112 6.931 1.181 18224 5619 1 16 . 1 1 56 56 LYS N N 56 118.390 118.390 119.196 -0.806 18224 5620 1 16 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.910 0.253 18224 5621 1 16 . 1 1 56 56 LYS C C 56 177.400 177.400 179.009 -1.609 18224 5622 1 16 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.859 -1.149 18224 5623 1 16 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.200 0.579 18224 5624 1 16 . 1 1 56 56 LYS H H 56 7.789 7.789 7.555 0.234 18224 5625 1 16 . 1 1 57 57 LYS N N 57 118.190 118.190 118.577 -0.387 18224 5626 1 16 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.052 0.207 18224 5627 1 16 . 1 1 57 57 LYS C C 57 176.791 176.791 176.600 0.191 18224 5628 1 16 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.444 -0.020 18224 5629 1 16 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.424 2.399 18224 5630 1 16 . 1 1 57 57 LYS H H 57 7.821 7.821 7.416 0.405 18224 5631 1 16 . 1 1 58 58 GLY N N 58 107.289 107.289 107.700 -0.411 18224 5632 1 16 . 1 1 58 58 GLY C C 58 173.607 173.607 175.005 -1.398 18224 5633 1 16 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.414 0.060 18224 5634 1 16 . 1 1 58 58 GLY H H 58 7.927 7.927 8.274 -0.347 18224 5635 1 16 . 1 1 59 59 HIS N N 59 116.847 116.847 119.223 -2.376 18224 5636 1 16 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.411 0.282 18224 5637 1 16 . 1 1 59 59 HIS C C 59 174.153 174.153 174.848 -0.695 18224 5638 1 16 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.372 -1.214 18224 5639 1 16 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.416 -1.501 18224 5640 1 16 . 1 1 59 59 HIS H H 59 8.120 8.120 7.880 0.240 18224 5641 1 16 . 1 1 60 60 HIS N N 60 118.028 118.028 117.345 0.683 18224 5642 1 16 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.185 0.507 18224 5643 1 16 . 1 1 60 60 HIS C C 60 173.987 173.987 173.195 0.792 18224 5644 1 16 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.438 0.070 18224 5645 1 16 . 1 1 60 60 HIS CB C 60 28.825 28.825 27.871 0.954 18224 5646 1 16 . 1 1 60 60 HIS H H 60 8.328 8.328 8.385 -0.057 18224 5647 1 16 . 1 1 61 61 HIS N N 61 118.101 118.101 120.810 -2.709 18224 5648 1 16 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.131 0.559 18224 5649 1 16 . 1 1 61 61 HIS C C 61 174.032 174.032 174.981 -0.949 18224 5650 1 16 . 1 1 61 61 HIS CA C 61 55.718 55.718 54.818 0.900 18224 5651 1 16 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.088 -1.193 18224 5652 1 16 . 1 1 61 61 HIS H H 61 8.351 8.351 8.107 0.244 18224 5653 1 16 . 1 1 62 62 HIS N N 62 118.704 118.704 118.421 0.283 18224 5654 1 16 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.204 0.497 18224 5655 1 16 . 1 1 62 62 HIS C C 62 173.803 173.803 175.336 -1.533 18224 5656 1 16 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.814 -1.210 18224 5657 1 16 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.540 -0.377 18224 5658 1 16 . 1 1 62 62 HIS H H 62 8.381 8.381 7.697 0.684 18224 5659 1 16 . 1 1 63 63 HIS N N 63 118.853 118.853 122.626 -3.773 18224 5660 1 16 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.234 0.447 18224 5661 1 16 . 1 1 63 63 HIS C C 63 173.576 173.576 175.169 -1.593 18224 5662 1 16 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.623 -0.925 18224 5663 1 16 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.937 -0.804 18224 5664 1 16 . 1 1 63 63 HIS H H 63 8.299 8.299 7.796 0.503 18224 5665 1 17 . 1 1 2 2 GLU N N 2 122.762 122.762 120.407 2.355 18224 5666 1 17 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.507 -0.069 18224 5667 1 17 . 1 1 2 2 GLU C C 2 175.581 175.581 175.208 0.373 18224 5668 1 17 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.478 -0.118 18224 5669 1 17 . 1 1 2 2 GLU CB C 2 29.582 29.582 28.586 0.996 18224 5670 1 17 . 1 1 2 2 GLU H H 2 8.628 8.628 8.617 0.011 18224 5671 1 17 . 1 1 3 3 GLU N N 3 121.071 121.071 121.735 -0.664 18224 5672 1 17 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.349 0.031 18224 5673 1 17 . 1 1 3 3 GLU C C 3 176.457 176.457 176.121 0.336 18224 5674 1 17 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.326 0.022 18224 5675 1 17 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.068 -0.869 18224 5676 1 17 . 1 1 3 3 GLU H H 3 8.393 8.393 8.290 0.103 18224 5677 1 17 . 1 1 4 4 GLY N N 4 109.717 109.717 111.031 -1.314 18224 5678 1 17 . 1 1 4 4 GLY C C 4 174.677 174.677 174.996 -0.319 18224 5679 1 17 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.775 0.866 18224 5680 1 17 . 1 1 4 4 GLY H H 4 8.377 8.377 8.824 -0.447 18224 5681 1 17 . 1 1 5 5 GLY N N 5 108.373 108.373 107.542 0.831 18224 5682 1 17 . 1 1 5 5 GLY C C 5 174.047 174.047 173.659 0.388 18224 5683 1 17 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.828 0.744 18224 5684 1 17 . 1 1 5 5 GLY H H 5 8.115 8.115 8.093 0.022 18224 5685 1 17 . 1 1 6 6 ASP N N 6 118.996 118.996 120.471 -1.475 18224 5686 1 17 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.851 -0.202 18224 5687 1 17 . 1 1 6 6 ASP C C 6 175.903 175.903 174.931 0.972 18224 5688 1 17 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.424 0.621 18224 5689 1 17 . 1 1 6 6 ASP CB C 6 39.344 39.344 43.672 -4.329 18224 5690 1 17 . 1 1 6 6 ASP H H 6 8.166 8.166 8.122 0.044 18224 5691 1 17 . 1 1 7 7 PHE N N 7 119.750 119.750 122.371 -2.621 18224 5692 1 17 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.536 0.014 18224 5693 1 17 . 1 1 7 7 PHE C C 7 175.919 175.919 175.936 -0.017 18224 5694 1 17 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.562 0.370 18224 5695 1 17 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.932 -0.752 18224 5696 1 17 . 1 1 7 7 PHE H H 7 8.151 8.151 8.345 -0.194 18224 5697 1 17 . 1 1 8 8 ASP N N 8 118.526 118.526 119.902 -1.376 18224 5698 1 17 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.973 -0.475 18224 5699 1 17 . 1 1 8 8 ASP C C 8 175.787 175.787 174.869 0.918 18224 5700 1 17 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.493 0.142 18224 5701 1 17 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.308 -2.105 18224 5702 1 17 . 1 1 8 8 ASP H H 8 8.161 8.161 8.784 -0.623 18224 5703 1 17 . 1 1 9 9 ASN N N 9 117.291 117.291 118.199 -0.908 18224 5704 1 17 . 1 1 9 9 ASN HA H 9 4.571 4.571 5.135 -0.564 18224 5705 1 17 . 1 1 9 9 ASN C C 9 175.142 175.142 174.872 0.270 18224 5706 1 17 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.561 1.373 18224 5707 1 17 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.865 -0.073 18224 5708 1 17 . 1 1 9 9 ASN H H 9 8.013 8.013 8.070 -0.057 18224 5709 1 17 . 1 1 10 10 TYR N N 10 119.112 119.112 120.157 -1.045 18224 5710 1 17 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.191 0.255 18224 5711 1 17 . 1 1 10 10 TYR C C 10 175.513 175.513 176.662 -1.149 18224 5712 1 17 . 1 1 10 10 TYR CA C 10 58.974 58.974 59.124 -0.150 18224 5713 1 17 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.175 0.708 18224 5714 1 17 . 1 1 10 10 TYR H H 10 7.848 7.848 8.268 -0.420 18224 5715 1 17 . 1 1 11 11 TYR N N 11 119.438 119.438 118.964 0.474 18224 5716 1 17 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.436 0.071 18224 5717 1 17 . 1 1 11 11 TYR C C 11 175.939 175.939 175.726 0.213 18224 5718 1 17 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.987 0.310 18224 5719 1 17 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.857 0.110 18224 5720 1 17 . 1 1 11 11 TYR H H 11 7.849 7.849 7.946 -0.097 18224 5721 1 17 . 1 1 12 12 GLY N N 12 109.685 109.685 107.413 2.272 18224 5722 1 17 . 1 1 12 12 GLY C C 12 174.099 174.099 173.088 1.011 18224 5723 1 17 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.078 0.467 18224 5724 1 17 . 1 1 12 12 GLY H H 12 7.792 7.792 8.412 -0.620 18224 5725 1 17 . 1 1 13 13 ALA N N 13 123.072 123.072 123.962 -0.890 18224 5726 1 17 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.139 0.136 18224 5727 1 17 . 1 1 13 13 ALA C C 13 177.669 177.669 177.000 0.669 18224 5728 1 17 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.203 0.767 18224 5729 1 17 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.289 1.001 18224 5730 1 17 . 1 1 13 13 ALA H H 13 7.880 7.880 8.121 -0.241 18224 5731 1 17 . 1 1 14 14 ASP N N 14 117.540 117.540 118.161 -0.621 18224 5732 1 17 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.657 -0.008 18224 5733 1 17 . 1 1 14 14 ASP C C 14 175.649 175.649 175.542 0.107 18224 5734 1 17 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.166 0.798 18224 5735 1 17 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.318 0.365 18224 5736 1 17 . 1 1 14 14 ASP H H 14 8.281 8.281 8.506 -0.225 18224 5737 1 17 . 1 1 15 15 ASN N N 15 118.400 118.400 119.342 -0.942 18224 5738 1 17 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.811 -0.125 18224 5739 1 17 . 1 1 15 15 ASN C C 15 175.351 175.351 175.601 -0.250 18224 5740 1 17 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.688 -0.080 18224 5741 1 17 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.644 -0.702 18224 5742 1 17 . 1 1 15 15 ASN H H 15 8.137 8.137 8.035 0.102 18224 5743 1 17 . 1 1 16 16 GLN N N 16 120.072 120.072 119.303 0.769 18224 5744 1 17 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.178 0.182 18224 5745 1 17 . 1 1 16 16 GLN C C 16 176.206 176.206 176.202 0.004 18224 5746 1 17 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.956 -0.554 18224 5747 1 17 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.843 0.326 18224 5748 1 17 . 1 1 16 16 GLN H H 16 8.284 8.284 8.530 -0.246 18224 5749 1 17 . 1 1 17 17 SER N N 17 116.112 116.112 115.384 0.728 18224 5750 1 17 . 1 1 17 17 SER HA H 17 4.440 4.440 4.127 0.313 18224 5751 1 17 . 1 1 17 17 SER C C 17 174.568 174.568 173.788 0.780 18224 5752 1 17 . 1 1 17 17 SER CA C 17 58.911 58.911 59.197 -0.286 18224 5753 1 17 . 1 1 17 17 SER CB C 17 63.897 63.897 63.332 0.565 18224 5754 1 17 . 1 1 17 17 SER H H 17 8.211 8.211 7.880 0.331 18224 5755 1 17 . 1 1 18 18 GLU N N 18 121.378 121.378 121.769 -0.391 18224 5756 1 17 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.272 0.107 18224 5757 1 17 . 1 1 18 18 GLU C C 18 175.934 175.934 175.445 0.489 18224 5758 1 17 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.852 0.554 18224 5759 1 17 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.841 -0.708 18224 5760 1 17 . 1 1 18 18 GLU H H 18 8.262 8.262 8.266 -0.004 18224 5761 1 17 . 1 1 19 19 CYS N N 19 119.418 119.418 122.702 -3.284 18224 5762 1 17 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.768 -0.324 18224 5763 1 17 . 1 1 19 19 CYS C C 19 174.568 174.568 174.699 -0.131 18224 5764 1 17 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.752 0.088 18224 5765 1 17 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.999 -2.026 18224 5766 1 17 . 1 1 19 19 CYS H H 19 8.182 8.182 8.650 -0.468 18224 5767 1 17 . 1 1 20 20 GLU N N 20 122.737 122.737 120.505 2.232 18224 5768 1 17 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.914 0.393 18224 5769 1 17 . 1 1 20 20 GLU C C 20 176.083 176.083 174.875 1.208 18224 5770 1 17 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.340 -0.800 18224 5771 1 17 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.598 -0.732 18224 5772 1 17 . 1 1 20 20 GLU H H 20 8.303 8.303 8.862 -0.559 18224 5773 1 17 . 1 1 21 21 TYR N N 21 119.549 119.549 114.348 5.201 18224 5774 1 17 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.443 0.031 18224 5775 1 17 . 1 1 21 21 TYR C C 21 175.826 175.826 173.694 2.132 18224 5776 1 17 . 1 1 21 21 TYR CA C 21 58.671 58.671 57.803 0.868 18224 5777 1 17 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.745 0.844 18224 5778 1 17 . 1 1 21 21 TYR H H 21 7.888 7.888 8.248 -0.360 18224 5779 1 17 . 1 1 22 22 THR N N 22 112.218 112.218 114.158 -1.940 18224 5780 1 17 . 1 1 22 22 THR HA H 22 4.163 4.163 3.178 0.985 18224 5781 1 17 . 1 1 22 22 THR C C 22 174.737 174.737 174.075 0.662 18224 5782 1 17 . 1 1 22 22 THR CA C 22 62.778 62.778 64.020 -1.242 18224 5783 1 17 . 1 1 22 22 THR CB C 22 69.531 69.531 69.034 0.497 18224 5784 1 17 . 1 1 22 22 THR H H 22 7.683 7.683 7.308 0.375 18224 5785 1 17 . 1 1 23 23 ASP N N 23 121.090 121.090 120.190 0.900 18224 5786 1 17 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.654 0.057 18224 5787 1 17 . 1 1 23 23 ASP C C 23 176.279 176.279 176.346 -0.067 18224 5788 1 17 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.463 0.647 18224 5789 1 17 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.477 -1.139 18224 5790 1 17 . 1 1 23 23 ASP H H 23 8.059 8.059 7.673 0.386 18224 5791 1 17 . 1 1 24 24 TRP N N 24 121.546 121.546 119.316 2.230 18224 5792 1 17 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.335 0.151 18224 5793 1 17 . 1 1 24 24 TRP C C 24 177.051 177.051 177.828 -0.777 18224 5794 1 17 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.746 1.082 18224 5795 1 17 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.900 1.168 18224 5796 1 17 . 1 1 24 24 TRP H H 24 7.888 7.888 7.080 0.808 18224 5797 1 17 . 1 1 25 25 LYS N N 25 120.106 120.106 120.706 -0.600 18224 5798 1 17 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.948 0.042 18224 5799 1 17 . 1 1 25 25 LYS C C 25 176.764 176.764 177.861 -1.097 18224 5800 1 17 . 1 1 25 25 LYS CA C 25 57.722 57.722 58.435 -0.713 18224 5801 1 17 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.999 0.302 18224 5802 1 17 . 1 1 25 25 LYS H H 25 7.620 7.620 8.153 -0.533 18224 5803 1 17 . 1 1 26 26 SER N N 26 114.114 114.114 110.981 3.133 18224 5804 1 17 . 1 1 26 26 SER HA H 26 4.471 4.471 4.199 0.272 18224 5805 1 17 . 1 1 26 26 SER C C 26 175.124 175.124 174.009 1.115 18224 5806 1 17 . 1 1 26 26 SER CA C 26 58.757 58.757 59.423 -0.666 18224 5807 1 17 . 1 1 26 26 SER CB C 26 63.812 63.812 61.501 2.311 18224 5808 1 17 . 1 1 26 26 SER H H 26 7.796 7.796 8.327 -0.531 18224 5809 1 17 . 1 1 27 27 SER N N 27 116.655 116.655 112.547 4.108 18224 5810 1 17 . 1 1 27 27 SER HA H 27 4.386 4.386 4.116 0.270 18224 5811 1 17 . 1 1 27 27 SER C C 27 175.505 175.505 174.706 0.799 18224 5812 1 17 . 1 1 27 27 SER CA C 27 59.611 59.611 58.667 0.944 18224 5813 1 17 . 1 1 27 27 SER CB C 27 64.117 64.117 62.075 2.042 18224 5814 1 17 . 1 1 27 27 SER H H 27 8.046 8.046 8.254 -0.208 18224 5815 1 17 . 1 1 28 28 GLY N N 28 111.049 111.049 106.308 4.741 18224 5816 1 17 . 1 1 28 28 GLY C C 28 174.495 174.495 174.131 0.364 18224 5817 1 17 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.215 0.906 18224 5818 1 17 . 1 1 28 28 GLY H H 28 8.304 8.304 8.461 -0.157 18224 5819 1 17 . 1 1 29 29 ALA N N 29 121.693 121.693 119.452 2.241 18224 5820 1 17 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.027 0.322 18224 5821 1 17 . 1 1 29 29 ALA C C 29 177.695 177.695 176.855 0.840 18224 5822 1 17 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.359 -0.248 18224 5823 1 17 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.849 2.115 18224 5824 1 17 . 1 1 29 29 ALA H H 29 7.941 7.941 7.685 0.256 18224 5825 1 17 . 1 1 30 30 LEU N N 30 117.996 117.996 117.389 0.607 18224 5826 1 17 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.411 -0.229 18224 5827 1 17 . 1 1 30 30 LEU C C 30 177.484 177.484 177.539 -0.055 18224 5828 1 17 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.720 2.250 18224 5829 1 17 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.232 -0.810 18224 5830 1 17 . 1 1 30 30 LEU H H 30 7.968 7.968 7.880 0.088 18224 5831 1 17 . 1 1 31 31 ILE N N 31 117.106 117.106 120.250 -3.144 18224 5832 1 17 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.258 -0.319 18224 5833 1 17 . 1 1 31 31 ILE C C 31 174.998 174.998 175.605 -0.607 18224 5834 1 17 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.491 2.431 18224 5835 1 17 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.797 -0.689 18224 5836 1 17 . 1 1 31 31 ILE H H 31 8.027 8.027 8.365 -0.338 18224 5837 1 17 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.325 -0.041 18224 5838 1 17 . 1 1 32 32 PRO C C 32 178.663 178.663 177.846 0.817 18224 5839 1 17 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.882 0.110 18224 5840 1 17 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.731 0.325 18224 5841 1 17 . 1 1 33 33 ALA N N 33 119.031 119.031 118.713 0.318 18224 5842 1 17 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.124 0.042 18224 5843 1 17 . 1 1 33 33 ALA C C 33 178.942 178.942 179.236 -0.294 18224 5844 1 17 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.281 1.259 18224 5845 1 17 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.215 0.270 18224 5846 1 17 . 1 1 33 33 ALA H H 33 7.580 7.580 8.339 -0.759 18224 5847 1 17 . 1 1 34 34 ILE N N 34 117.923 117.923 118.305 -0.382 18224 5848 1 17 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.797 -0.098 18224 5849 1 17 . 1 1 34 34 ILE C C 34 177.833 177.833 177.409 0.424 18224 5850 1 17 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.350 0.762 18224 5851 1 17 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.223 -0.872 18224 5852 1 17 . 1 1 34 34 ILE H H 34 8.234 8.234 7.642 0.592 18224 5853 1 17 . 1 1 35 35 TYR N N 35 118.746 118.746 120.203 -1.457 18224 5854 1 17 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.142 -0.027 18224 5855 1 17 . 1 1 35 35 TYR C C 35 178.044 178.044 178.118 -0.074 18224 5856 1 17 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.247 -0.489 18224 5857 1 17 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.735 -0.720 18224 5858 1 17 . 1 1 35 35 TYR H H 35 8.355 8.355 7.511 0.844 18224 5859 1 17 . 1 1 36 36 MET N N 36 117.813 117.813 117.047 0.766 18224 5860 1 17 . 1 1 36 36 MET HA H 36 4.281 4.281 4.295 -0.014 18224 5861 1 17 . 1 1 36 36 MET C C 36 178.139 178.139 177.981 0.158 18224 5862 1 17 . 1 1 36 36 MET CA C 36 58.482 58.482 58.912 -0.430 18224 5863 1 17 . 1 1 36 36 MET CB C 36 31.716 31.716 32.334 -0.619 18224 5864 1 17 . 1 1 36 36 MET H H 36 8.107 8.107 8.354 -0.247 18224 5865 1 17 . 1 1 37 37 LEU N N 37 120.311 120.311 120.130 0.181 18224 5866 1 17 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.189 -0.114 18224 5867 1 17 . 1 1 37 37 LEU C C 37 178.399 178.399 177.969 0.430 18224 5868 1 17 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.005 0.465 18224 5869 1 17 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.402 0.551 18224 5870 1 17 . 1 1 37 37 LEU H H 37 8.229 8.229 7.678 0.551 18224 5871 1 17 . 1 1 38 38 VAL N N 38 118.080 118.080 115.272 2.808 18224 5872 1 17 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.017 -0.492 18224 5873 1 17 . 1 1 38 38 VAL C C 38 178.139 178.139 175.687 2.452 18224 5874 1 17 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.078 4.074 18224 5875 1 17 . 1 1 38 38 VAL CB C 38 31.450 31.450 30.188 1.262 18224 5876 1 17 . 1 1 38 38 VAL H H 38 8.363 8.363 7.432 0.931 18224 5877 1 17 . 1 1 39 39 PHE N N 39 120.151 120.151 121.648 -1.497 18224 5878 1 17 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.813 -0.590 18224 5879 1 17 . 1 1 39 39 PHE C C 39 178.544 178.544 175.234 3.310 18224 5880 1 17 . 1 1 39 39 PHE CA C 39 61.326 61.326 59.689 1.637 18224 5881 1 17 . 1 1 39 39 PHE CB C 39 38.916 38.916 42.473 -3.557 18224 5882 1 17 . 1 1 39 39 PHE H H 39 8.306 8.306 8.028 0.278 18224 5883 1 17 . 1 1 40 40 LEU N N 40 121.004 121.004 119.483 1.521 18224 5884 1 17 . 1 1 40 40 LEU HA H 40 4.023 4.023 3.960 0.063 18224 5885 1 17 . 1 1 40 40 LEU C C 40 179.704 179.704 177.336 2.368 18224 5886 1 17 . 1 1 40 40 LEU CA C 40 57.938 57.938 58.204 -0.266 18224 5887 1 17 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.510 0.783 18224 5888 1 17 . 1 1 40 40 LEU H H 40 8.567 8.567 7.948 0.619 18224 5889 1 17 . 1 1 41 41 LEU N N 41 119.593 119.593 113.881 5.712 18224 5890 1 17 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.552 -0.491 18224 5891 1 17 . 1 1 41 41 LEU C C 41 178.966 178.966 177.737 1.229 18224 5892 1 17 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.462 2.234 18224 5893 1 17 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.594 0.197 18224 5894 1 17 . 1 1 41 41 LEU H H 41 8.503 8.503 7.675 0.828 18224 5895 1 17 . 1 1 42 42 GLY N N 42 105.838 105.838 107.556 -1.718 18224 5896 1 17 . 1 1 42 42 GLY C C 42 175.587 175.587 174.354 1.233 18224 5897 1 17 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.699 0.871 18224 5898 1 17 . 1 1 42 42 GLY H H 42 8.355 8.355 8.090 0.265 18224 5899 1 17 . 1 1 43 43 THR N N 43 112.333 112.333 115.433 -3.100 18224 5900 1 17 . 1 1 43 43 THR HA H 43 4.290 4.290 4.363 -0.073 18224 5901 1 17 . 1 1 43 43 THR C C 43 175.765 175.765 175.375 0.390 18224 5902 1 17 . 1 1 43 43 THR CA C 43 63.680 63.680 61.395 2.285 18224 5903 1 17 . 1 1 43 43 THR CB C 43 69.626 69.626 69.052 0.574 18224 5904 1 17 . 1 1 43 43 THR H H 43 7.895 7.895 7.698 0.197 18224 5905 1 17 . 1 1 44 44 THR N N 44 112.041 112.041 113.255 -1.214 18224 5906 1 17 . 1 1 44 44 THR HA H 44 4.388 4.388 4.066 0.322 18224 5907 1 17 . 1 1 44 44 THR C C 44 175.555 175.555 175.310 0.245 18224 5908 1 17 . 1 1 44 44 THR CA C 44 62.732 62.732 63.807 -1.075 18224 5909 1 17 . 1 1 44 44 THR CB C 44 70.240 70.240 69.120 1.120 18224 5910 1 17 . 1 1 44 44 THR H H 44 7.684 7.684 7.883 -0.199 18224 5911 1 17 . 1 1 45 45 GLY N N 45 109.756 109.756 108.196 1.560 18224 5912 1 17 . 1 1 45 45 GLY C C 45 174.948 174.948 172.713 2.235 18224 5913 1 17 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.592 1.760 18224 5914 1 17 . 1 1 45 45 GLY H H 45 8.058 8.058 8.379 -0.321 18224 5915 1 17 . 1 1 46 46 ASN N N 46 117.561 117.561 117.131 0.430 18224 5916 1 17 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.525 0.320 18224 5917 1 17 . 1 1 46 46 ASN C C 46 175.853 175.853 174.699 1.154 18224 5918 1 17 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.225 0.867 18224 5919 1 17 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.680 1.833 18224 5920 1 17 . 1 1 46 46 ASN H H 46 8.202 8.202 8.231 -0.029 18224 5921 1 17 . 1 1 47 47 GLY N N 47 108.715 108.715 105.851 2.864 18224 5922 1 17 . 1 1 47 47 GLY C C 47 174.431 174.431 174.209 0.222 18224 5923 1 17 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.733 1.428 18224 5924 1 17 . 1 1 47 47 GLY H H 47 8.600 8.600 8.387 0.213 18224 5925 1 17 . 1 1 48 48 LEU N N 48 120.089 120.089 121.166 -1.077 18224 5926 1 17 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.868 -0.549 18224 5927 1 17 . 1 1 48 48 LEU C C 48 179.243 179.243 176.700 2.543 18224 5928 1 17 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.265 2.051 18224 5929 1 17 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.094 -1.256 18224 5930 1 17 . 1 1 48 48 LEU H H 48 8.003 8.003 7.781 0.222 18224 5931 1 17 . 1 1 49 49 VAL N N 49 120.573 120.573 119.318 1.255 18224 5932 1 17 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.984 -0.163 18224 5933 1 17 . 1 1 49 49 VAL C C 49 177.520 177.520 177.527 -0.007 18224 5934 1 17 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.617 1.445 18224 5935 1 17 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.359 0.129 18224 5936 1 17 . 1 1 49 49 VAL H H 49 7.910 7.910 8.031 -0.121 18224 5937 1 17 . 1 1 50 50 LEU N N 50 119.718 119.718 120.148 -0.430 18224 5938 1 17 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.355 -0.328 18224 5939 1 17 . 1 1 50 50 LEU C C 50 178.169 178.169 178.849 -0.680 18224 5940 1 17 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.649 0.403 18224 5941 1 17 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.736 1.005 18224 5942 1 17 . 1 1 50 50 LEU H H 50 7.860 7.860 7.972 -0.112 18224 5943 1 17 . 1 1 51 51 TRP N N 51 118.071 118.071 120.263 -2.192 18224 5944 1 17 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.547 -0.005 18224 5945 1 17 . 1 1 51 51 TRP C C 51 177.296 177.296 176.978 0.318 18224 5946 1 17 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.252 -0.334 18224 5947 1 17 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.640 1.335 18224 5948 1 17 . 1 1 51 51 TRP H H 51 8.109 8.109 8.682 -0.573 18224 5949 1 17 . 1 1 52 52 THR N N 52 113.243 113.243 116.212 -2.969 18224 5950 1 17 . 1 1 52 52 THR HA H 52 3.773 3.773 3.730 0.043 18224 5951 1 17 . 1 1 52 52 THR C C 52 176.402 176.402 175.902 0.500 18224 5952 1 17 . 1 1 52 52 THR CA C 52 66.690 66.690 65.882 0.808 18224 5953 1 17 . 1 1 52 52 THR CB C 52 68.921 68.921 69.226 -0.305 18224 5954 1 17 . 1 1 52 52 THR H H 52 8.072 8.072 7.356 0.716 18224 5955 1 17 . 1 1 53 53 VAL N N 53 120.307 120.307 122.495 -2.188 18224 5956 1 17 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.510 0.153 18224 5957 1 17 . 1 1 53 53 VAL C C 53 177.362 177.362 177.628 -0.266 18224 5958 1 17 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.467 -0.175 18224 5959 1 17 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.720 -0.003 18224 5960 1 17 . 1 1 53 53 VAL H H 53 8.006 8.006 7.351 0.655 18224 5961 1 17 . 1 1 54 54 PHE N N 54 119.041 119.041 117.760 1.281 18224 5962 1 17 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.201 0.027 18224 5963 1 17 . 1 1 54 54 PHE C C 54 177.476 177.476 176.873 0.603 18224 5964 1 17 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.810 0.082 18224 5965 1 17 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.892 -0.296 18224 5966 1 17 . 1 1 54 54 PHE H H 54 8.143 8.143 8.469 -0.326 18224 5967 1 17 . 1 1 55 55 ARG N N 55 117.543 117.543 119.114 -1.571 18224 5968 1 17 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.166 0.697 18224 5969 1 17 . 1 1 55 55 ARG C C 55 177.832 177.832 177.755 0.077 18224 5970 1 17 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.584 0.122 18224 5971 1 17 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.026 -0.551 18224 5972 1 17 . 1 1 55 55 ARG H H 55 8.112 8.112 7.255 0.857 18224 5973 1 17 . 1 1 56 56 LYS N N 56 118.390 118.390 117.019 1.371 18224 5974 1 17 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.862 0.301 18224 5975 1 17 . 1 1 56 56 LYS C C 56 177.400 177.400 177.025 0.375 18224 5976 1 17 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.232 -0.522 18224 5977 1 17 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.031 0.748 18224 5978 1 17 . 1 1 56 56 LYS H H 56 7.789 7.789 8.045 -0.256 18224 5979 1 17 . 1 1 57 57 LYS N N 57 118.190 118.190 116.637 1.553 18224 5980 1 17 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.462 -0.203 18224 5981 1 17 . 1 1 57 57 LYS C C 57 176.791 176.791 177.064 -0.273 18224 5982 1 17 . 1 1 57 57 LYS CA C 57 56.425 56.425 54.931 1.494 18224 5983 1 17 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.285 2.538 18224 5984 1 17 . 1 1 57 57 LYS H H 57 7.821 7.821 7.104 0.717 18224 5985 1 17 . 1 1 58 58 GLY N N 58 107.289 107.289 109.443 -2.154 18224 5986 1 17 . 1 1 58 58 GLY C C 58 173.607 173.607 175.302 -1.695 18224 5987 1 17 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.350 -0.876 18224 5988 1 17 . 1 1 58 58 GLY H H 58 7.927 7.927 8.232 -0.305 18224 5989 1 17 . 1 1 59 59 HIS N N 59 116.847 116.847 117.353 -0.506 18224 5990 1 17 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.755 -0.062 18224 5991 1 17 . 1 1 59 59 HIS C C 59 174.153 174.153 174.611 -0.458 18224 5992 1 17 . 1 1 59 59 HIS CA C 59 55.158 55.158 55.638 -0.480 18224 5993 1 17 . 1 1 59 59 HIS CB C 59 28.915 28.915 32.031 -3.116 18224 5994 1 17 . 1 1 59 59 HIS H H 59 8.120 8.120 8.658 -0.538 18224 5995 1 17 . 1 1 60 60 HIS N N 60 118.028 118.028 118.392 -0.364 18224 5996 1 17 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.897 -0.205 18224 5997 1 17 . 1 1 60 60 HIS C C 60 173.987 173.987 174.659 -0.672 18224 5998 1 17 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.234 0.274 18224 5999 1 17 . 1 1 60 60 HIS CB C 60 28.825 28.825 31.870 -3.045 18224 6000 1 17 . 1 1 60 60 HIS H H 60 8.328 8.328 8.297 0.031 18224 6001 1 17 . 1 1 61 61 HIS N N 61 118.101 118.101 122.008 -3.907 18224 6002 1 17 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.405 0.285 18224 6003 1 17 . 1 1 61 61 HIS C C 61 174.032 174.032 175.823 -1.791 18224 6004 1 17 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.539 -0.821 18224 6005 1 17 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.949 -1.054 18224 6006 1 17 . 1 1 61 61 HIS H H 61 8.351 8.351 7.371 0.980 18224 6007 1 17 . 1 1 62 62 HIS N N 62 118.704 118.704 122.890 -4.186 18224 6008 1 17 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.092 0.609 18224 6009 1 17 . 1 1 62 62 HIS C C 62 173.803 173.803 175.526 -1.723 18224 6010 1 17 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.330 -1.726 18224 6011 1 17 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.439 -0.276 18224 6012 1 17 . 1 1 62 62 HIS H H 62 8.381 8.381 8.692 -0.311 18224 6013 1 17 . 1 1 63 63 HIS N N 63 118.853 118.853 118.660 0.193 18224 6014 1 17 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.239 0.442 18224 6015 1 17 . 1 1 63 63 HIS C C 63 173.576 173.576 175.668 -2.092 18224 6016 1 17 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.538 -0.840 18224 6017 1 17 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.038 -0.905 18224 6018 1 17 . 1 1 63 63 HIS H H 63 8.299 8.299 7.129 1.170 18224 6019 1 18 . 1 1 2 2 GLU N N 2 122.762 122.762 121.555 1.207 18224 6020 1 18 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.630 -0.192 18224 6021 1 18 . 1 1 2 2 GLU C C 2 175.581 175.581 175.340 0.241 18224 6022 1 18 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.908 -0.548 18224 6023 1 18 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.998 -0.416 18224 6024 1 18 . 1 1 2 2 GLU H H 2 8.628 8.628 8.580 0.048 18224 6025 1 18 . 1 1 3 3 GLU N N 3 121.071 121.071 121.077 -0.006 18224 6026 1 18 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.522 -0.141 18224 6027 1 18 . 1 1 3 3 GLU C C 3 176.457 176.457 176.942 -0.485 18224 6028 1 18 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.248 0.100 18224 6029 1 18 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.661 -0.462 18224 6030 1 18 . 1 1 3 3 GLU H H 3 8.393 8.393 8.662 -0.269 18224 6031 1 18 . 1 1 4 4 GLY N N 4 109.717 109.717 108.065 1.652 18224 6032 1 18 . 1 1 4 4 GLY C C 4 174.677 174.677 174.192 0.485 18224 6033 1 18 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.758 0.883 18224 6034 1 18 . 1 1 4 4 GLY H H 4 8.377 8.377 8.041 0.336 18224 6035 1 18 . 1 1 5 5 GLY N N 5 108.373 108.373 109.176 -0.803 18224 6036 1 18 . 1 1 5 5 GLY C C 5 174.047 174.047 173.184 0.863 18224 6037 1 18 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.933 0.639 18224 6038 1 18 . 1 1 5 5 GLY H H 5 8.115 8.115 8.035 0.080 18224 6039 1 18 . 1 1 6 6 ASP N N 6 118.996 118.996 121.186 -2.190 18224 6040 1 18 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.477 0.172 18224 6041 1 18 . 1 1 6 6 ASP C C 6 175.903 175.903 173.909 1.994 18224 6042 1 18 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.033 1.012 18224 6043 1 18 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.425 -1.081 18224 6044 1 18 . 1 1 6 6 ASP H H 6 8.166 8.166 7.489 0.677 18224 6045 1 18 . 1 1 7 7 PHE N N 7 119.750 119.750 121.826 -2.076 18224 6046 1 18 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.591 -0.041 18224 6047 1 18 . 1 1 7 7 PHE C C 7 175.919 175.919 175.404 0.515 18224 6048 1 18 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.399 1.533 18224 6049 1 18 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.425 -0.245 18224 6050 1 18 . 1 1 7 7 PHE H H 7 8.151 8.151 7.667 0.484 18224 6051 1 18 . 1 1 8 8 ASP N N 8 118.526 118.526 121.529 -3.003 18224 6052 1 18 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.003 0.495 18224 6053 1 18 . 1 1 8 8 ASP C C 8 175.787 175.787 175.435 0.352 18224 6054 1 18 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.128 -0.493 18224 6055 1 18 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.490 -1.287 18224 6056 1 18 . 1 1 8 8 ASP H H 8 8.161 8.161 8.383 -0.222 18224 6057 1 18 . 1 1 9 9 ASN N N 9 117.291 117.291 117.016 0.275 18224 6058 1 18 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.687 -0.116 18224 6059 1 18 . 1 1 9 9 ASN C C 9 175.142 175.142 174.036 1.106 18224 6060 1 18 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.252 1.681 18224 6061 1 18 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.834 -0.042 18224 6062 1 18 . 1 1 9 9 ASN H H 9 8.013 8.013 7.725 0.288 18224 6063 1 18 . 1 1 10 10 TYR N N 10 119.112 119.112 120.768 -1.656 18224 6064 1 18 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.414 0.032 18224 6065 1 18 . 1 1 10 10 TYR C C 10 175.513 175.513 176.317 -0.804 18224 6066 1 18 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.152 0.822 18224 6067 1 18 . 1 1 10 10 TYR CB C 10 38.883 38.883 36.219 2.664 18224 6068 1 18 . 1 1 10 10 TYR H H 10 7.848 7.848 7.580 0.268 18224 6069 1 18 . 1 1 11 11 TYR N N 11 119.438 119.438 125.351 -5.913 18224 6070 1 18 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.324 0.183 18224 6071 1 18 . 1 1 11 11 TYR C C 11 175.939 175.939 176.792 -0.853 18224 6072 1 18 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.125 0.172 18224 6073 1 18 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.254 -0.287 18224 6074 1 18 . 1 1 11 11 TYR H H 11 7.849 7.849 8.253 -0.404 18224 6075 1 18 . 1 1 12 12 GLY N N 12 109.685 109.685 106.584 3.101 18224 6076 1 18 . 1 1 12 12 GLY C C 12 174.099 174.099 172.995 1.104 18224 6077 1 18 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.147 1.398 18224 6078 1 18 . 1 1 12 12 GLY H H 12 7.792 7.792 8.446 -0.654 18224 6079 1 18 . 1 1 13 13 ALA N N 13 123.072 123.072 126.932 -3.860 18224 6080 1 18 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.294 -0.019 18224 6081 1 18 . 1 1 13 13 ALA C C 13 177.669 177.669 177.012 0.657 18224 6082 1 18 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.464 1.506 18224 6083 1 18 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.507 0.783 18224 6084 1 18 . 1 1 13 13 ALA H H 13 7.880 7.880 8.381 -0.501 18224 6085 1 18 . 1 1 14 14 ASP N N 14 117.540 117.540 122.203 -4.663 18224 6086 1 18 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.289 0.360 18224 6087 1 18 . 1 1 14 14 ASP C C 14 175.649 175.649 175.602 0.047 18224 6088 1 18 . 1 1 14 14 ASP CA C 14 53.964 53.964 55.319 -1.355 18224 6089 1 18 . 1 1 14 14 ASP CB C 14 39.683 39.683 40.587 -0.904 18224 6090 1 18 . 1 1 14 14 ASP H H 14 8.281 8.281 8.227 0.054 18224 6091 1 18 . 1 1 15 15 ASN N N 15 118.400 118.400 123.229 -4.829 18224 6092 1 18 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.729 -0.043 18224 6093 1 18 . 1 1 15 15 ASN C C 15 175.351 175.351 175.423 -0.072 18224 6094 1 18 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.782 -0.174 18224 6095 1 18 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.493 -0.551 18224 6096 1 18 . 1 1 15 15 ASN H H 15 8.137 8.137 8.481 -0.344 18224 6097 1 18 . 1 1 16 16 GLN N N 16 120.072 120.072 121.580 -1.508 18224 6098 1 18 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.314 0.046 18224 6099 1 18 . 1 1 16 16 GLN C C 16 176.206 176.206 175.438 0.768 18224 6100 1 18 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.798 -0.396 18224 6101 1 18 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.587 2.582 18224 6102 1 18 . 1 1 16 16 GLN H H 16 8.284 8.284 8.145 0.139 18224 6103 1 18 . 1 1 17 17 SER N N 17 116.112 116.112 116.607 -0.495 18224 6104 1 18 . 1 1 17 17 SER HA H 17 4.440 4.440 4.512 -0.072 18224 6105 1 18 . 1 1 17 17 SER C C 17 174.568 174.568 173.566 1.002 18224 6106 1 18 . 1 1 17 17 SER CA C 17 58.911 58.911 58.648 0.264 18224 6107 1 18 . 1 1 17 17 SER CB C 17 63.897 63.897 63.491 0.406 18224 6108 1 18 . 1 1 17 17 SER H H 17 8.211 8.211 8.508 -0.297 18224 6109 1 18 . 1 1 18 18 GLU N N 18 121.378 121.378 121.134 0.244 18224 6110 1 18 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.437 -0.058 18224 6111 1 18 . 1 1 18 18 GLU C C 18 175.934 175.934 174.526 1.408 18224 6112 1 18 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.828 -0.423 18224 6113 1 18 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.875 -1.742 18224 6114 1 18 . 1 1 18 18 GLU H H 18 8.262 8.262 8.097 0.165 18224 6115 1 18 . 1 1 19 19 CYS N N 19 119.418 119.418 121.162 -1.744 18224 6116 1 18 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.562 -0.118 18224 6117 1 18 . 1 1 19 19 CYS C C 19 174.568 174.568 174.497 0.071 18224 6118 1 18 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.359 -0.520 18224 6119 1 18 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.523 -2.550 18224 6120 1 18 . 1 1 19 19 CYS H H 19 8.182 8.182 8.627 -0.445 18224 6121 1 18 . 1 1 20 20 GLU N N 20 122.737 122.737 120.977 1.760 18224 6122 1 18 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.248 0.059 18224 6123 1 18 . 1 1 20 20 GLU C C 20 176.083 176.083 174.595 1.488 18224 6124 1 18 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.944 -1.404 18224 6125 1 18 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.147 -0.281 18224 6126 1 18 . 1 1 20 20 GLU H H 20 8.303 8.303 9.258 -0.955 18224 6127 1 18 . 1 1 21 21 TYR N N 21 119.549 119.549 116.332 3.217 18224 6128 1 18 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.559 -0.085 18224 6129 1 18 . 1 1 21 21 TYR C C 21 175.826 175.826 175.364 0.462 18224 6130 1 18 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.384 -0.713 18224 6131 1 18 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.691 -0.102 18224 6132 1 18 . 1 1 21 21 TYR H H 21 7.888 7.888 8.456 -0.568 18224 6133 1 18 . 1 1 22 22 THR N N 22 112.218 112.218 114.315 -2.097 18224 6134 1 18 . 1 1 22 22 THR HA H 22 4.163 4.163 3.780 0.383 18224 6135 1 18 . 1 1 22 22 THR C C 22 174.737 174.737 174.094 0.643 18224 6136 1 18 . 1 1 22 22 THR CA C 22 62.778 62.778 63.709 -0.931 18224 6137 1 18 . 1 1 22 22 THR CB C 22 69.531 69.531 69.054 0.477 18224 6138 1 18 . 1 1 22 22 THR H H 22 7.683 7.683 7.784 -0.101 18224 6139 1 18 . 1 1 23 23 ASP N N 23 121.090 121.090 119.147 1.943 18224 6140 1 18 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.793 -0.082 18224 6141 1 18 . 1 1 23 23 ASP C C 23 176.279 176.279 176.646 -0.367 18224 6142 1 18 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.683 1.427 18224 6143 1 18 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.746 -0.408 18224 6144 1 18 . 1 1 23 23 ASP H H 23 8.059 8.059 8.335 -0.276 18224 6145 1 18 . 1 1 24 24 TRP N N 24 121.546 121.546 120.289 1.257 18224 6146 1 18 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.337 0.149 18224 6147 1 18 . 1 1 24 24 TRP C C 24 177.051 177.051 176.845 0.206 18224 6148 1 18 . 1 1 24 24 TRP CA C 24 58.828 58.828 56.831 1.997 18224 6149 1 18 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.912 1.156 18224 6150 1 18 . 1 1 24 24 TRP H H 24 7.888 7.888 7.267 0.621 18224 6151 1 18 . 1 1 25 25 LYS N N 25 120.106 120.106 120.992 -0.886 18224 6152 1 18 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.851 0.139 18224 6153 1 18 . 1 1 25 25 LYS C C 25 176.764 176.764 177.799 -1.035 18224 6154 1 18 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.755 -0.033 18224 6155 1 18 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.187 0.114 18224 6156 1 18 . 1 1 25 25 LYS H H 25 7.620 7.620 7.666 -0.046 18224 6157 1 18 . 1 1 26 26 SER N N 26 114.114 114.114 113.481 0.633 18224 6158 1 18 . 1 1 26 26 SER HA H 26 4.471 4.471 4.197 0.274 18224 6159 1 18 . 1 1 26 26 SER C C 26 175.124 175.124 174.164 0.960 18224 6160 1 18 . 1 1 26 26 SER CA C 26 58.757 58.757 58.788 -0.032 18224 6161 1 18 . 1 1 26 26 SER CB C 26 63.812 63.812 62.209 1.603 18224 6162 1 18 . 1 1 26 26 SER H H 26 7.796 7.796 8.263 -0.467 18224 6163 1 18 . 1 1 27 27 SER N N 27 116.655 116.655 113.241 3.414 18224 6164 1 18 . 1 1 27 27 SER HA H 27 4.386 4.386 4.077 0.309 18224 6165 1 18 . 1 1 27 27 SER C C 27 175.505 175.505 174.653 0.852 18224 6166 1 18 . 1 1 27 27 SER CA C 27 59.611 59.611 58.819 0.792 18224 6167 1 18 . 1 1 27 27 SER CB C 27 64.117 64.117 62.153 1.964 18224 6168 1 18 . 1 1 27 27 SER H H 27 8.046 8.046 8.510 -0.464 18224 6169 1 18 . 1 1 28 28 GLY N N 28 111.049 111.049 106.047 5.002 18224 6170 1 18 . 1 1 28 28 GLY C C 28 174.495 174.495 174.223 0.272 18224 6171 1 18 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.103 1.018 18224 6172 1 18 . 1 1 28 28 GLY H H 28 8.304 8.304 7.871 0.433 18224 6173 1 18 . 1 1 29 29 ALA N N 29 121.693 121.693 119.501 2.192 18224 6174 1 18 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.023 0.326 18224 6175 1 18 . 1 1 29 29 ALA C C 29 177.695 177.695 176.622 1.073 18224 6176 1 18 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.361 -0.249 18224 6177 1 18 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.742 2.222 18224 6178 1 18 . 1 1 29 29 ALA H H 29 7.941 7.941 7.971 -0.030 18224 6179 1 18 . 1 1 30 30 LEU N N 30 117.996 117.996 116.857 1.139 18224 6180 1 18 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.421 -0.239 18224 6181 1 18 . 1 1 30 30 LEU C C 30 177.484 177.484 177.503 -0.019 18224 6182 1 18 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.734 2.236 18224 6183 1 18 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.384 -0.962 18224 6184 1 18 . 1 1 30 30 LEU H H 30 7.968 7.968 7.781 0.187 18224 6185 1 18 . 1 1 31 31 ILE N N 31 117.106 117.106 120.845 -3.739 18224 6186 1 18 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.221 -0.282 18224 6187 1 18 . 1 1 31 31 ILE C C 31 174.998 174.998 174.852 0.146 18224 6188 1 18 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.807 2.115 18224 6189 1 18 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.654 -0.546 18224 6190 1 18 . 1 1 31 31 ILE H H 31 8.027 8.027 8.313 -0.286 18224 6191 1 18 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.301 -0.017 18224 6192 1 18 . 1 1 32 32 PRO C C 32 178.663 178.663 177.999 0.664 18224 6193 1 18 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.794 0.199 18224 6194 1 18 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.824 0.232 18224 6195 1 18 . 1 1 33 33 ALA N N 33 119.031 119.031 118.950 0.081 18224 6196 1 18 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.221 -0.055 18224 6197 1 18 . 1 1 33 33 ALA C C 33 178.942 178.942 179.411 -0.469 18224 6198 1 18 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.304 1.236 18224 6199 1 18 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.461 0.024 18224 6200 1 18 . 1 1 33 33 ALA H H 33 7.580 7.580 8.361 -0.781 18224 6201 1 18 . 1 1 34 34 ILE N N 34 117.923 117.923 118.452 -0.529 18224 6202 1 18 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.817 -0.118 18224 6203 1 18 . 1 1 34 34 ILE C C 34 177.833 177.833 177.098 0.735 18224 6204 1 18 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.519 1.593 18224 6205 1 18 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.045 -0.694 18224 6206 1 18 . 1 1 34 34 ILE H H 34 8.234 8.234 7.547 0.687 18224 6207 1 18 . 1 1 35 35 TYR N N 35 118.746 118.746 119.234 -0.488 18224 6208 1 18 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.129 -0.014 18224 6209 1 18 . 1 1 35 35 TYR C C 35 178.044 178.044 178.233 -0.189 18224 6210 1 18 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.356 -0.598 18224 6211 1 18 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.576 -0.561 18224 6212 1 18 . 1 1 35 35 TYR H H 35 8.355 8.355 7.592 0.763 18224 6213 1 18 . 1 1 36 36 MET N N 36 117.813 117.813 117.183 0.630 18224 6214 1 18 . 1 1 36 36 MET HA H 36 4.281 4.281 4.412 -0.131 18224 6215 1 18 . 1 1 36 36 MET C C 36 178.139 178.139 178.378 -0.239 18224 6216 1 18 . 1 1 36 36 MET CA C 36 58.482 58.482 58.682 -0.200 18224 6217 1 18 . 1 1 36 36 MET CB C 36 31.716 31.716 32.517 -0.801 18224 6218 1 18 . 1 1 36 36 MET H H 36 8.107 8.107 7.832 0.275 18224 6219 1 18 . 1 1 37 37 LEU N N 37 120.311 120.311 118.983 1.328 18224 6220 1 18 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.112 -0.037 18224 6221 1 18 . 1 1 37 37 LEU C C 37 178.399 178.399 177.496 0.903 18224 6222 1 18 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.119 1.351 18224 6223 1 18 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.077 0.876 18224 6224 1 18 . 1 1 37 37 LEU H H 37 8.229 8.229 7.887 0.342 18224 6225 1 18 . 1 1 38 38 VAL N N 38 118.080 118.080 116.814 1.266 18224 6226 1 18 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.132 -0.607 18224 6227 1 18 . 1 1 38 38 VAL C C 38 178.139 178.139 175.711 2.428 18224 6228 1 18 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.403 3.749 18224 6229 1 18 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.765 -1.315 18224 6230 1 18 . 1 1 38 38 VAL H H 38 8.363 8.363 7.317 1.046 18224 6231 1 18 . 1 1 39 39 PHE N N 39 120.151 120.151 120.703 -0.552 18224 6232 1 18 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.758 -0.535 18224 6233 1 18 . 1 1 39 39 PHE C C 39 178.544 178.544 175.073 3.471 18224 6234 1 18 . 1 1 39 39 PHE CA C 39 61.326 61.326 58.229 3.097 18224 6235 1 18 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.656 -1.740 18224 6236 1 18 . 1 1 39 39 PHE H H 39 8.306 8.306 8.332 -0.026 18224 6237 1 18 . 1 1 40 40 LEU N N 40 121.004 121.004 114.649 6.355 18224 6238 1 18 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.532 -0.509 18224 6239 1 18 . 1 1 40 40 LEU C C 40 179.704 179.704 176.848 2.856 18224 6240 1 18 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.193 2.745 18224 6241 1 18 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.988 0.304 18224 6242 1 18 . 1 1 40 40 LEU H H 40 8.567 8.567 7.373 1.194 18224 6243 1 18 . 1 1 41 41 LEU N N 41 119.593 119.593 122.216 -2.623 18224 6244 1 18 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.016 0.045 18224 6245 1 18 . 1 1 41 41 LEU C C 41 178.966 178.966 177.771 1.195 18224 6246 1 18 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.846 -0.150 18224 6247 1 18 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.395 -0.603 18224 6248 1 18 . 1 1 41 41 LEU H H 41 8.503 8.503 8.082 0.421 18224 6249 1 18 . 1 1 42 42 GLY N N 42 105.838 105.838 101.768 4.070 18224 6250 1 18 . 1 1 42 42 GLY C C 42 175.587 175.587 174.532 1.055 18224 6251 1 18 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.574 0.996 18224 6252 1 18 . 1 1 42 42 GLY H H 42 8.355 8.355 7.773 0.582 18224 6253 1 18 . 1 1 43 43 THR N N 43 112.333 112.333 114.368 -2.035 18224 6254 1 18 . 1 1 43 43 THR HA H 43 4.290 4.290 4.386 -0.096 18224 6255 1 18 . 1 1 43 43 THR C C 43 175.765 175.765 175.075 0.690 18224 6256 1 18 . 1 1 43 43 THR CA C 43 63.680 63.680 62.481 1.199 18224 6257 1 18 . 1 1 43 43 THR CB C 43 69.626 69.626 68.668 0.958 18224 6258 1 18 . 1 1 43 43 THR H H 43 7.895 7.895 8.089 -0.194 18224 6259 1 18 . 1 1 44 44 THR N N 44 112.041 112.041 110.973 1.068 18224 6260 1 18 . 1 1 44 44 THR HA H 44 4.388 4.388 4.439 -0.051 18224 6261 1 18 . 1 1 44 44 THR C C 44 175.555 175.555 175.233 0.322 18224 6262 1 18 . 1 1 44 44 THR CA C 44 62.732 62.732 62.203 0.529 18224 6263 1 18 . 1 1 44 44 THR CB C 44 70.240 70.240 70.255 -0.015 18224 6264 1 18 . 1 1 44 44 THR H H 44 7.684 7.684 7.753 -0.069 18224 6265 1 18 . 1 1 45 45 GLY N N 45 109.756 109.756 110.645 -0.889 18224 6266 1 18 . 1 1 45 45 GLY C C 45 174.948 174.948 173.397 1.551 18224 6267 1 18 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.193 1.159 18224 6268 1 18 . 1 1 45 45 GLY H H 45 8.058 8.058 8.151 -0.093 18224 6269 1 18 . 1 1 46 46 ASN N N 46 117.561 117.561 119.413 -1.852 18224 6270 1 18 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.533 0.312 18224 6271 1 18 . 1 1 46 46 ASN C C 46 175.853 175.853 175.021 0.832 18224 6272 1 18 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.666 0.426 18224 6273 1 18 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.638 0.875 18224 6274 1 18 . 1 1 46 46 ASN H H 46 8.202 8.202 8.328 -0.126 18224 6275 1 18 . 1 1 47 47 GLY N N 47 108.715 108.715 109.956 -1.241 18224 6276 1 18 . 1 1 47 47 GLY C C 47 174.431 174.431 174.006 0.425 18224 6277 1 18 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.564 1.597 18224 6278 1 18 . 1 1 47 47 GLY H H 47 8.600 8.600 8.514 0.086 18224 6279 1 18 . 1 1 48 48 LEU N N 48 120.089 120.089 121.308 -1.219 18224 6280 1 18 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.926 -0.607 18224 6281 1 18 . 1 1 48 48 LEU C C 48 179.243 179.243 176.902 2.341 18224 6282 1 18 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.278 2.038 18224 6283 1 18 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.254 -1.416 18224 6284 1 18 . 1 1 48 48 LEU H H 48 8.003 8.003 7.830 0.173 18224 6285 1 18 . 1 1 49 49 VAL N N 49 120.573 120.573 118.934 1.639 18224 6286 1 18 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.946 -0.125 18224 6287 1 18 . 1 1 49 49 VAL C C 49 177.520 177.520 176.914 0.606 18224 6288 1 18 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.047 1.015 18224 6289 1 18 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.694 -0.206 18224 6290 1 18 . 1 1 49 49 VAL H H 49 7.910 7.910 7.894 0.016 18224 6291 1 18 . 1 1 50 50 LEU N N 50 119.718 119.718 119.285 0.433 18224 6292 1 18 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.518 -0.491 18224 6293 1 18 . 1 1 50 50 LEU C C 50 178.169 178.169 178.465 -0.296 18224 6294 1 18 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.575 1.477 18224 6295 1 18 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.562 0.179 18224 6296 1 18 . 1 1 50 50 LEU H H 50 7.860 7.860 7.742 0.118 18224 6297 1 18 . 1 1 51 51 TRP N N 51 118.071 118.071 121.070 -2.999 18224 6298 1 18 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.531 0.011 18224 6299 1 18 . 1 1 51 51 TRP C C 51 177.296 177.296 176.323 0.973 18224 6300 1 18 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.549 0.369 18224 6301 1 18 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.550 1.425 18224 6302 1 18 . 1 1 51 51 TRP H H 51 8.109 8.109 8.176 -0.067 18224 6303 1 18 . 1 1 52 52 THR N N 52 113.243 113.243 112.894 0.349 18224 6304 1 18 . 1 1 52 52 THR HA H 52 3.773 3.773 4.001 -0.228 18224 6305 1 18 . 1 1 52 52 THR C C 52 176.402 176.402 175.726 0.676 18224 6306 1 18 . 1 1 52 52 THR CA C 52 66.690 66.690 64.091 2.599 18224 6307 1 18 . 1 1 52 52 THR CB C 52 68.921 68.921 69.131 -0.210 18224 6308 1 18 . 1 1 52 52 THR H H 52 8.072 8.072 7.802 0.270 18224 6309 1 18 . 1 1 53 53 VAL N N 53 120.307 120.307 122.442 -2.135 18224 6310 1 18 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.773 -0.110 18224 6311 1 18 . 1 1 53 53 VAL C C 53 177.362 177.362 176.944 0.418 18224 6312 1 18 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.856 0.436 18224 6313 1 18 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.766 -0.049 18224 6314 1 18 . 1 1 53 53 VAL H H 53 8.006 8.006 7.530 0.476 18224 6315 1 18 . 1 1 54 54 PHE N N 54 119.041 119.041 118.553 0.488 18224 6316 1 18 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.205 0.023 18224 6317 1 18 . 1 1 54 54 PHE C C 54 177.476 177.476 175.806 1.670 18224 6318 1 18 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.557 1.335 18224 6319 1 18 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.768 -0.172 18224 6320 1 18 . 1 1 54 54 PHE H H 54 8.143 8.143 7.794 0.349 18224 6321 1 18 . 1 1 55 55 ARG N N 55 117.543 117.543 119.374 -1.831 18224 6322 1 18 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.060 0.803 18224 6323 1 18 . 1 1 55 55 ARG C C 55 177.832 177.832 177.196 0.636 18224 6324 1 18 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.194 0.512 18224 6325 1 18 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.784 -0.308 18224 6326 1 18 . 1 1 55 55 ARG H H 55 8.112 8.112 7.392 0.720 18224 6327 1 18 . 1 1 56 56 LYS N N 56 118.390 118.390 117.621 0.769 18224 6328 1 18 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.841 0.322 18224 6329 1 18 . 1 1 56 56 LYS C C 56 177.400 177.400 179.134 -1.734 18224 6330 1 18 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.635 -0.925 18224 6331 1 18 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.934 0.845 18224 6332 1 18 . 1 1 56 56 LYS H H 56 7.789 7.789 7.516 0.273 18224 6333 1 18 . 1 1 57 57 LYS N N 57 118.190 118.190 121.583 -3.393 18224 6334 1 18 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.144 0.115 18224 6335 1 18 . 1 1 57 57 LYS C C 57 176.791 176.791 176.072 0.719 18224 6336 1 18 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.497 0.928 18224 6337 1 18 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.143 1.680 18224 6338 1 18 . 1 1 57 57 LYS H H 57 7.821 7.821 7.443 0.378 18224 6339 1 18 . 1 1 58 58 GLY N N 58 107.289 107.289 109.095 -1.806 18224 6340 1 18 . 1 1 58 58 GLY C C 58 173.607 173.607 174.716 -1.109 18224 6341 1 18 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.764 0.710 18224 6342 1 18 . 1 1 58 58 GLY H H 58 7.927 7.927 7.870 0.057 18224 6343 1 18 . 1 1 59 59 HIS N N 59 116.847 116.847 123.074 -6.227 18224 6344 1 18 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.448 0.245 18224 6345 1 18 . 1 1 59 59 HIS C C 59 174.153 174.153 176.164 -2.011 18224 6346 1 18 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.964 -2.806 18224 6347 1 18 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.430 -1.515 18224 6348 1 18 . 1 1 59 59 HIS H H 59 8.120 8.120 7.557 0.563 18224 6349 1 18 . 1 1 60 60 HIS N N 60 118.028 118.028 117.727 0.301 18224 6350 1 18 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.296 0.396 18224 6351 1 18 . 1 1 60 60 HIS C C 60 173.987 173.987 173.540 0.447 18224 6352 1 18 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.535 -1.027 18224 6353 1 18 . 1 1 60 60 HIS CB C 60 28.825 28.825 28.864 -0.039 18224 6354 1 18 . 1 1 60 60 HIS H H 60 8.328 8.328 8.542 -0.214 18224 6355 1 18 . 1 1 61 61 HIS N N 61 118.101 118.101 117.493 0.608 18224 6356 1 18 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.731 -0.041 18224 6357 1 18 . 1 1 61 61 HIS C C 61 174.032 174.032 175.460 -1.428 18224 6358 1 18 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.502 -0.784 18224 6359 1 18 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.082 -1.187 18224 6360 1 18 . 1 1 61 61 HIS H H 61 8.351 8.351 8.086 0.265 18224 6361 1 18 . 1 1 62 62 HIS N N 62 118.704 118.704 124.568 -5.864 18224 6362 1 18 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.200 0.501 18224 6363 1 18 . 1 1 62 62 HIS C C 62 173.803 173.803 175.387 -1.584 18224 6364 1 18 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.921 -1.317 18224 6365 1 18 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.045 -0.882 18224 6366 1 18 . 1 1 62 62 HIS H H 62 8.381 8.381 8.792 -0.411 18224 6367 1 18 . 1 1 63 63 HIS N N 63 118.853 118.853 117.342 1.511 18224 6368 1 18 . 1 1 63 63 HIS HA H 63 4.681 4.681 3.922 0.759 18224 6369 1 18 . 1 1 63 63 HIS C C 63 173.576 173.576 174.600 -1.024 18224 6370 1 18 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.097 -1.399 18224 6371 1 18 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.076 -0.943 18224 6372 1 18 . 1 1 63 63 HIS H H 63 8.299 8.299 8.417 -0.118 18224 6373 1 19 . 1 1 2 2 GLU N N 2 122.762 122.762 121.925 0.837 18224 6374 1 19 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.137 0.301 18224 6375 1 19 . 1 1 2 2 GLU C C 2 175.581 175.581 175.323 0.258 18224 6376 1 19 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.069 -0.709 18224 6377 1 19 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.092 0.490 18224 6378 1 19 . 1 1 2 2 GLU H H 2 8.628 8.628 8.439 0.189 18224 6379 1 19 . 1 1 3 3 GLU N N 3 121.071 121.071 119.410 1.661 18224 6380 1 19 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.436 -0.055 18224 6381 1 19 . 1 1 3 3 GLU C C 3 176.457 176.457 176.825 -0.368 18224 6382 1 19 . 1 1 3 3 GLU CA C 3 56.348 56.348 55.912 0.436 18224 6383 1 19 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.714 -1.515 18224 6384 1 19 . 1 1 3 3 GLU H H 3 8.393 8.393 7.867 0.526 18224 6385 1 19 . 1 1 4 4 GLY N N 4 109.717 109.717 108.857 0.860 18224 6386 1 19 . 1 1 4 4 GLY C C 4 174.677 174.677 174.926 -0.249 18224 6387 1 19 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.127 0.514 18224 6388 1 19 . 1 1 4 4 GLY H H 4 8.377 8.377 8.477 -0.100 18224 6389 1 19 . 1 1 5 5 GLY N N 5 108.373 108.373 109.230 -0.857 18224 6390 1 19 . 1 1 5 5 GLY C C 5 174.047 174.047 174.457 -0.410 18224 6391 1 19 . 1 1 5 5 GLY CA C 5 45.572 45.572 46.416 -0.844 18224 6392 1 19 . 1 1 5 5 GLY H H 5 8.115 8.115 8.154 -0.039 18224 6393 1 19 . 1 1 6 6 ASP N N 6 118.996 118.996 119.839 -0.843 18224 6394 1 19 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.434 0.215 18224 6395 1 19 . 1 1 6 6 ASP C C 6 175.903 175.903 176.184 -0.281 18224 6396 1 19 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.626 -0.581 18224 6397 1 19 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.761 -1.417 18224 6398 1 19 . 1 1 6 6 ASP H H 6 8.166 8.166 8.892 -0.726 18224 6399 1 19 . 1 1 7 7 PHE N N 7 119.750 119.750 122.768 -3.018 18224 6400 1 19 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.106 0.444 18224 6401 1 19 . 1 1 7 7 PHE C C 7 175.919 175.919 174.736 1.183 18224 6402 1 19 . 1 1 7 7 PHE CA C 7 58.932 58.932 59.670 -0.738 18224 6403 1 19 . 1 1 7 7 PHE CB C 7 39.180 39.180 38.981 0.199 18224 6404 1 19 . 1 1 7 7 PHE H H 7 8.151 8.151 8.236 -0.085 18224 6405 1 19 . 1 1 8 8 ASP N N 8 118.526 118.526 120.364 -1.838 18224 6406 1 19 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.168 0.330 18224 6407 1 19 . 1 1 8 8 ASP C C 8 175.787 175.787 175.132 0.655 18224 6408 1 19 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.991 -0.356 18224 6409 1 19 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.292 -1.089 18224 6410 1 19 . 1 1 8 8 ASP H H 8 8.161 8.161 8.348 -0.187 18224 6411 1 19 . 1 1 9 9 ASN N N 9 117.291 117.291 115.432 1.859 18224 6412 1 19 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.237 0.334 18224 6413 1 19 . 1 1 9 9 ASN C C 9 175.142 175.142 174.019 1.123 18224 6414 1 19 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.280 0.654 18224 6415 1 19 . 1 1 9 9 ASN CB C 9 38.792 38.792 37.492 1.300 18224 6416 1 19 . 1 1 9 9 ASN H H 9 8.013 8.013 8.082 -0.069 18224 6417 1 19 . 1 1 10 10 TYR N N 10 119.112 119.112 114.535 4.577 18224 6418 1 19 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.054 0.392 18224 6419 1 19 . 1 1 10 10 TYR C C 10 175.513 175.513 175.616 -0.103 18224 6420 1 19 . 1 1 10 10 TYR CA C 10 58.974 58.974 60.149 -1.175 18224 6421 1 19 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.544 0.339 18224 6422 1 19 . 1 1 10 10 TYR H H 10 7.848 7.848 7.926 -0.078 18224 6423 1 19 . 1 1 11 11 TYR N N 11 119.438 119.438 118.249 1.189 18224 6424 1 19 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.251 0.256 18224 6425 1 19 . 1 1 11 11 TYR C C 11 175.939 175.939 177.009 -1.070 18224 6426 1 19 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.841 -0.544 18224 6427 1 19 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.365 0.602 18224 6428 1 19 . 1 1 11 11 TYR H H 11 7.849 7.849 7.933 -0.084 18224 6429 1 19 . 1 1 12 12 GLY N N 12 109.685 109.685 112.156 -2.471 18224 6430 1 19 . 1 1 12 12 GLY C C 12 174.099 174.099 173.238 0.861 18224 6431 1 19 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.061 0.484 18224 6432 1 19 . 1 1 12 12 GLY H H 12 7.792 7.792 8.436 -0.644 18224 6433 1 19 . 1 1 13 13 ALA N N 13 123.072 123.072 121.464 1.608 18224 6434 1 19 . 1 1 13 13 ALA HA H 13 4.275 4.275 3.930 0.345 18224 6435 1 19 . 1 1 13 13 ALA C C 13 177.669 177.669 176.892 0.777 18224 6436 1 19 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.027 0.943 18224 6437 1 19 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.473 1.817 18224 6438 1 19 . 1 1 13 13 ALA H H 13 7.880 7.880 8.014 -0.134 18224 6439 1 19 . 1 1 14 14 ASP N N 14 117.540 117.540 117.785 -0.245 18224 6440 1 19 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.407 0.242 18224 6441 1 19 . 1 1 14 14 ASP C C 14 175.649 175.649 175.759 -0.110 18224 6442 1 19 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.926 0.038 18224 6443 1 19 . 1 1 14 14 ASP CB C 14 39.683 39.683 38.946 0.737 18224 6444 1 19 . 1 1 14 14 ASP H H 14 8.281 8.281 8.552 -0.271 18224 6445 1 19 . 1 1 15 15 ASN N N 15 118.400 118.400 119.112 -0.712 18224 6446 1 19 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.721 -0.035 18224 6447 1 19 . 1 1 15 15 ASN C C 15 175.351 175.351 175.899 -0.548 18224 6448 1 19 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.484 0.124 18224 6449 1 19 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.866 -0.924 18224 6450 1 19 . 1 1 15 15 ASN H H 15 8.137 8.137 8.708 -0.571 18224 6451 1 19 . 1 1 16 16 GLN N N 16 120.072 120.072 118.750 1.322 18224 6452 1 19 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.311 0.049 18224 6453 1 19 . 1 1 16 16 GLN C C 16 176.206 176.206 176.143 0.063 18224 6454 1 19 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.210 0.192 18224 6455 1 19 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.308 0.861 18224 6456 1 19 . 1 1 16 16 GLN H H 16 8.284 8.284 8.366 -0.082 18224 6457 1 19 . 1 1 17 17 SER N N 17 116.112 116.112 116.512 -0.400 18224 6458 1 19 . 1 1 17 17 SER HA H 17 4.440 4.440 4.268 0.172 18224 6459 1 19 . 1 1 17 17 SER C C 17 174.568 174.568 174.017 0.551 18224 6460 1 19 . 1 1 17 17 SER CA C 17 58.911 58.911 58.937 -0.026 18224 6461 1 19 . 1 1 17 17 SER CB C 17 63.897 63.897 63.563 0.334 18224 6462 1 19 . 1 1 17 17 SER H H 17 8.211 8.211 7.560 0.651 18224 6463 1 19 . 1 1 18 18 GLU N N 18 121.378 121.378 120.459 0.919 18224 6464 1 19 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.136 0.243 18224 6465 1 19 . 1 1 18 18 GLU C C 18 175.934 175.934 174.827 1.107 18224 6466 1 19 . 1 1 18 18 GLU CA C 18 56.406 56.406 57.603 -1.197 18224 6467 1 19 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.210 -0.077 18224 6468 1 19 . 1 1 18 18 GLU H H 18 8.262 8.262 8.646 -0.384 18224 6469 1 19 . 1 1 19 19 CYS N N 19 119.418 119.418 122.875 -3.457 18224 6470 1 19 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.642 -0.198 18224 6471 1 19 . 1 1 19 19 CYS C C 19 174.568 174.568 174.027 0.541 18224 6472 1 19 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.921 -0.082 18224 6473 1 19 . 1 1 19 19 CYS CB C 19 27.973 27.973 26.974 0.999 18224 6474 1 19 . 1 1 19 19 CYS H H 19 8.182 8.182 8.570 -0.388 18224 6475 1 19 . 1 1 20 20 GLU N N 20 122.737 122.737 120.036 2.701 18224 6476 1 19 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.354 -0.047 18224 6477 1 19 . 1 1 20 20 GLU C C 20 176.083 176.083 175.737 0.346 18224 6478 1 19 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.196 0.344 18224 6479 1 19 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.648 -0.782 18224 6480 1 19 . 1 1 20 20 GLU H H 20 8.303 8.303 7.949 0.354 18224 6481 1 19 . 1 1 21 21 TYR N N 21 119.549 119.549 123.474 -3.925 18224 6482 1 19 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.217 0.257 18224 6483 1 19 . 1 1 21 21 TYR C C 21 175.826 175.826 174.660 1.166 18224 6484 1 19 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.471 0.201 18224 6485 1 19 . 1 1 21 21 TYR CB C 21 38.589 38.589 36.639 1.950 18224 6486 1 19 . 1 1 21 21 TYR H H 21 7.888 7.888 8.326 -0.438 18224 6487 1 19 . 1 1 22 22 THR N N 22 112.218 112.218 115.004 -2.786 18224 6488 1 19 . 1 1 22 22 THR HA H 22 4.163 4.163 4.331 -0.168 18224 6489 1 19 . 1 1 22 22 THR C C 22 174.737 174.737 174.122 0.615 18224 6490 1 19 . 1 1 22 22 THR CA C 22 62.778 62.778 62.813 -0.035 18224 6491 1 19 . 1 1 22 22 THR CB C 22 69.531 69.531 70.452 -0.921 18224 6492 1 19 . 1 1 22 22 THR H H 22 7.683 7.683 8.170 -0.487 18224 6493 1 19 . 1 1 23 23 ASP N N 23 121.090 121.090 121.709 -0.619 18224 6494 1 19 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.641 0.070 18224 6495 1 19 . 1 1 23 23 ASP C C 23 176.279 176.279 176.714 -0.435 18224 6496 1 19 . 1 1 23 23 ASP CA C 23 54.110 54.110 55.017 -0.907 18224 6497 1 19 . 1 1 23 23 ASP CB C 23 39.338 39.338 41.619 -2.281 18224 6498 1 19 . 1 1 23 23 ASP H H 23 8.059 8.059 7.918 0.141 18224 6499 1 19 . 1 1 24 24 TRP N N 24 121.546 121.546 121.810 -0.264 18224 6500 1 19 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.449 0.037 18224 6501 1 19 . 1 1 24 24 TRP C C 24 177.051 177.051 176.016 1.035 18224 6502 1 19 . 1 1 24 24 TRP CA C 24 58.828 58.828 56.723 2.105 18224 6503 1 19 . 1 1 24 24 TRP CB C 24 29.068 29.068 29.247 -0.179 18224 6504 1 19 . 1 1 24 24 TRP H H 24 7.888 7.888 7.611 0.277 18224 6505 1 19 . 1 1 25 25 LYS N N 25 120.106 120.106 123.565 -3.459 18224 6506 1 19 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.847 0.143 18224 6507 1 19 . 1 1 25 25 LYS C C 25 176.764 176.764 175.255 1.509 18224 6508 1 19 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.190 0.532 18224 6509 1 19 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.672 1.629 18224 6510 1 19 . 1 1 25 25 LYS H H 25 7.620 7.620 8.621 -1.001 18224 6511 1 19 . 1 1 26 26 SER N N 26 114.114 114.114 113.891 0.223 18224 6512 1 19 . 1 1 26 26 SER HA H 26 4.471 4.471 4.433 0.038 18224 6513 1 19 . 1 1 26 26 SER C C 26 175.124 175.124 173.566 1.558 18224 6514 1 19 . 1 1 26 26 SER CA C 26 58.757 58.757 58.036 0.721 18224 6515 1 19 . 1 1 26 26 SER CB C 26 63.812 63.812 63.860 -0.048 18224 6516 1 19 . 1 1 26 26 SER H H 26 7.796 7.796 7.949 -0.153 18224 6517 1 19 . 1 1 27 27 SER N N 27 116.655 116.655 113.359 3.296 18224 6518 1 19 . 1 1 27 27 SER HA H 27 4.386 4.386 4.145 0.241 18224 6519 1 19 . 1 1 27 27 SER C C 27 175.505 175.505 175.246 0.259 18224 6520 1 19 . 1 1 27 27 SER CA C 27 59.611 59.611 59.326 0.285 18224 6521 1 19 . 1 1 27 27 SER CB C 27 64.117 64.117 61.761 2.356 18224 6522 1 19 . 1 1 27 27 SER H H 27 8.046 8.046 8.366 -0.320 18224 6523 1 19 . 1 1 28 28 GLY N N 28 111.049 111.049 107.793 3.256 18224 6524 1 19 . 1 1 28 28 GLY C C 28 174.495 174.495 173.792 0.703 18224 6525 1 19 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.166 -0.046 18224 6526 1 19 . 1 1 28 28 GLY H H 28 8.304 8.304 7.698 0.606 18224 6527 1 19 . 1 1 29 29 ALA N N 29 121.693 121.693 121.640 0.053 18224 6528 1 19 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.637 -0.288 18224 6529 1 19 . 1 1 29 29 ALA C C 29 177.695 177.695 176.785 0.910 18224 6530 1 19 . 1 1 29 29 ALA CA C 29 53.111 53.111 51.571 1.540 18224 6531 1 19 . 1 1 29 29 ALA CB C 29 19.964 19.964 19.405 0.559 18224 6532 1 19 . 1 1 29 29 ALA H H 29 7.941 7.941 7.485 0.456 18224 6533 1 19 . 1 1 30 30 LEU N N 30 117.996 117.996 121.834 -3.838 18224 6534 1 19 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.182 -0.000 18224 6535 1 19 . 1 1 30 30 LEU C C 30 177.484 177.484 177.659 -0.175 18224 6536 1 19 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.399 0.571 18224 6537 1 19 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.457 -0.035 18224 6538 1 19 . 1 1 30 30 LEU H H 30 7.968 7.968 8.058 -0.090 18224 6539 1 19 . 1 1 31 31 ILE N N 31 117.106 117.106 117.840 -0.734 18224 6540 1 19 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.332 -0.393 18224 6541 1 19 . 1 1 31 31 ILE C C 31 174.998 174.998 175.597 -0.599 18224 6542 1 19 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.610 3.312 18224 6543 1 19 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.755 -0.647 18224 6544 1 19 . 1 1 31 31 ILE H H 31 8.027 8.027 8.131 -0.104 18224 6545 1 19 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.477 -0.193 18224 6546 1 19 . 1 1 32 32 PRO C C 32 178.663 178.663 177.823 0.840 18224 6547 1 19 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.289 0.704 18224 6548 1 19 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.835 0.221 18224 6549 1 19 . 1 1 33 33 ALA N N 33 119.031 119.031 118.710 0.321 18224 6550 1 19 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.249 -0.083 18224 6551 1 19 . 1 1 33 33 ALA C C 33 178.942 178.942 179.710 -0.768 18224 6552 1 19 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.629 0.911 18224 6553 1 19 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.688 -0.203 18224 6554 1 19 . 1 1 33 33 ALA H H 33 7.580 7.580 8.247 -0.667 18224 6555 1 19 . 1 1 34 34 ILE N N 34 117.923 117.923 117.713 0.210 18224 6556 1 19 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.860 -0.161 18224 6557 1 19 . 1 1 34 34 ILE C C 34 177.833 177.833 177.129 0.704 18224 6558 1 19 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.061 1.051 18224 6559 1 19 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.352 -1.001 18224 6560 1 19 . 1 1 34 34 ILE H H 34 8.234 8.234 7.799 0.435 18224 6561 1 19 . 1 1 35 35 TYR N N 35 118.746 118.746 120.092 -1.346 18224 6562 1 19 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.307 -0.192 18224 6563 1 19 . 1 1 35 35 TYR C C 35 178.044 178.044 177.707 0.337 18224 6564 1 19 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.070 -0.312 18224 6565 1 19 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.694 -0.679 18224 6566 1 19 . 1 1 35 35 TYR H H 35 8.355 8.355 7.564 0.791 18224 6567 1 19 . 1 1 36 36 MET N N 36 117.813 117.813 118.017 -0.204 18224 6568 1 19 . 1 1 36 36 MET HA H 36 4.281 4.281 4.473 -0.192 18224 6569 1 19 . 1 1 36 36 MET C C 36 178.139 178.139 177.647 0.492 18224 6570 1 19 . 1 1 36 36 MET CA C 36 58.482 58.482 58.851 -0.369 18224 6571 1 19 . 1 1 36 36 MET CB C 36 31.716 31.716 32.791 -1.075 18224 6572 1 19 . 1 1 36 36 MET H H 36 8.107 8.107 7.925 0.182 18224 6573 1 19 . 1 1 37 37 LEU N N 37 120.311 120.311 119.227 1.084 18224 6574 1 19 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.228 -0.153 18224 6575 1 19 . 1 1 37 37 LEU C C 37 178.399 178.399 177.120 1.279 18224 6576 1 19 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.796 1.674 18224 6577 1 19 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.552 1.401 18224 6578 1 19 . 1 1 37 37 LEU H H 37 8.229 8.229 7.810 0.419 18224 6579 1 19 . 1 1 38 38 VAL N N 38 118.080 118.080 116.858 1.222 18224 6580 1 19 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.139 -0.614 18224 6581 1 19 . 1 1 38 38 VAL C C 38 178.139 178.139 175.719 2.420 18224 6582 1 19 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.992 4.160 18224 6583 1 19 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.433 -1.983 18224 6584 1 19 . 1 1 38 38 VAL H H 38 8.363 8.363 7.537 0.826 18224 6585 1 19 . 1 1 39 39 PHE N N 39 120.151 120.151 119.692 0.459 18224 6586 1 19 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.435 -0.212 18224 6587 1 19 . 1 1 39 39 PHE C C 39 178.544 178.544 177.930 0.614 18224 6588 1 19 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.562 -0.236 18224 6589 1 19 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.319 -1.403 18224 6590 1 19 . 1 1 39 39 PHE H H 39 8.306 8.306 7.588 0.718 18224 6591 1 19 . 1 1 40 40 LEU N N 40 121.004 121.004 120.435 0.569 18224 6592 1 19 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.197 -0.174 18224 6593 1 19 . 1 1 40 40 LEU C C 40 179.704 179.704 179.187 0.517 18224 6594 1 19 . 1 1 40 40 LEU CA C 40 57.938 57.938 58.163 -0.224 18224 6595 1 19 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.133 1.159 18224 6596 1 19 . 1 1 40 40 LEU H H 40 8.567 8.567 7.756 0.811 18224 6597 1 19 . 1 1 41 41 LEU N N 41 119.593 119.593 120.046 -0.453 18224 6598 1 19 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.084 -0.023 18224 6599 1 19 . 1 1 41 41 LEU C C 41 178.966 178.966 178.261 0.705 18224 6600 1 19 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.571 1.125 18224 6601 1 19 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.961 -0.169 18224 6602 1 19 . 1 1 41 41 LEU H H 41 8.503 8.503 8.312 0.191 18224 6603 1 19 . 1 1 42 42 GLY N N 42 105.838 105.838 103.504 2.334 18224 6604 1 19 . 1 1 42 42 GLY C C 42 175.587 175.587 173.502 2.085 18224 6605 1 19 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.896 1.674 18224 6606 1 19 . 1 1 42 42 GLY H H 42 8.355 8.355 7.976 0.379 18224 6607 1 19 . 1 1 43 43 THR N N 43 112.333 112.333 114.494 -2.161 18224 6608 1 19 . 1 1 43 43 THR HA H 43 4.290 4.290 4.680 -0.390 18224 6609 1 19 . 1 1 43 43 THR C C 43 175.765 175.765 174.384 1.381 18224 6610 1 19 . 1 1 43 43 THR CA C 43 63.680 63.680 61.672 2.008 18224 6611 1 19 . 1 1 43 43 THR CB C 43 69.626 69.626 70.626 -1.000 18224 6612 1 19 . 1 1 43 43 THR H H 43 7.895 7.895 7.580 0.315 18224 6613 1 19 . 1 1 44 44 THR N N 44 112.041 112.041 114.468 -2.427 18224 6614 1 19 . 1 1 44 44 THR HA H 44 4.388 4.388 3.974 0.414 18224 6615 1 19 . 1 1 44 44 THR C C 44 175.555 175.555 174.455 1.100 18224 6616 1 19 . 1 1 44 44 THR CA C 44 62.732 62.732 64.113 -1.381 18224 6617 1 19 . 1 1 44 44 THR CB C 44 70.240 70.240 67.652 2.588 18224 6618 1 19 . 1 1 44 44 THR H H 44 7.684 7.684 8.667 -0.983 18224 6619 1 19 . 1 1 45 45 GLY N N 45 109.756 109.756 106.207 3.549 18224 6620 1 19 . 1 1 45 45 GLY C C 45 174.948 174.948 173.609 1.339 18224 6621 1 19 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.915 1.437 18224 6622 1 19 . 1 1 45 45 GLY H H 45 8.058 8.058 8.396 -0.338 18224 6623 1 19 . 1 1 46 46 ASN N N 46 117.561 117.561 122.199 -4.638 18224 6624 1 19 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.912 -0.067 18224 6625 1 19 . 1 1 46 46 ASN C C 46 175.853 175.853 174.407 1.446 18224 6626 1 19 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.807 1.285 18224 6627 1 19 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.218 1.295 18224 6628 1 19 . 1 1 46 46 ASN H H 46 8.202 8.202 8.100 0.102 18224 6629 1 19 . 1 1 47 47 GLY N N 47 108.715 108.715 108.715 0.000 18224 6630 1 19 . 1 1 47 47 GLY C C 47 174.431 174.431 173.785 0.646 18224 6631 1 19 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.968 1.193 18224 6632 1 19 . 1 1 47 47 GLY H H 47 8.600 8.600 7.938 0.662 18224 6633 1 19 . 1 1 48 48 LEU N N 48 120.089 120.089 121.346 -1.257 18224 6634 1 19 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.867 -0.547 18224 6635 1 19 . 1 1 48 48 LEU C C 48 179.243 179.243 177.191 2.052 18224 6636 1 19 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.061 2.255 18224 6637 1 19 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.165 -1.327 18224 6638 1 19 . 1 1 48 48 LEU H H 48 8.003 8.003 7.781 0.222 18224 6639 1 19 . 1 1 49 49 VAL N N 49 120.573 120.573 120.289 0.284 18224 6640 1 19 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.896 -0.075 18224 6641 1 19 . 1 1 49 49 VAL C C 49 177.520 177.520 176.932 0.588 18224 6642 1 19 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.140 0.922 18224 6643 1 19 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.369 0.119 18224 6644 1 19 . 1 1 49 49 VAL H H 49 7.910 7.910 7.963 -0.053 18224 6645 1 19 . 1 1 50 50 LEU N N 50 119.718 119.718 114.143 5.575 18224 6646 1 19 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.710 -0.683 18224 6647 1 19 . 1 1 50 50 LEU C C 50 178.169 178.169 177.442 0.727 18224 6648 1 19 . 1 1 50 50 LEU CA C 50 58.052 58.052 55.074 2.978 18224 6649 1 19 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.358 1.383 18224 6650 1 19 . 1 1 50 50 LEU H H 50 7.860 7.860 7.872 -0.012 18224 6651 1 19 . 1 1 51 51 TRP N N 51 118.071 118.071 123.219 -5.148 18224 6652 1 19 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.768 -0.226 18224 6653 1 19 . 1 1 51 51 TRP C C 51 177.296 177.296 177.149 0.147 18224 6654 1 19 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.522 0.396 18224 6655 1 19 . 1 1 51 51 TRP CB C 51 29.975 29.975 30.155 -0.180 18224 6656 1 19 . 1 1 51 51 TRP H H 51 8.109 8.109 7.678 0.431 18224 6657 1 19 . 1 1 52 52 THR N N 52 113.243 113.243 115.691 -2.448 18224 6658 1 19 . 1 1 52 52 THR HA H 52 3.773 3.773 4.013 -0.240 18224 6659 1 19 . 1 1 52 52 THR C C 52 176.402 176.402 176.502 -0.100 18224 6660 1 19 . 1 1 52 52 THR CA C 52 66.690 66.690 66.061 0.629 18224 6661 1 19 . 1 1 52 52 THR CB C 52 68.921 68.921 68.442 0.479 18224 6662 1 19 . 1 1 52 52 THR H H 52 8.072 8.072 7.761 0.311 18224 6663 1 19 . 1 1 53 53 VAL N N 53 120.307 120.307 120.419 -0.112 18224 6664 1 19 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.815 -0.152 18224 6665 1 19 . 1 1 53 53 VAL C C 53 177.362 177.362 176.902 0.460 18224 6666 1 19 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.646 0.646 18224 6667 1 19 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.912 -0.195 18224 6668 1 19 . 1 1 53 53 VAL H H 53 8.006 8.006 7.709 0.297 18224 6669 1 19 . 1 1 54 54 PHE N N 54 119.041 119.041 118.764 0.277 18224 6670 1 19 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.342 -0.114 18224 6671 1 19 . 1 1 54 54 PHE C C 54 177.476 177.476 175.079 2.397 18224 6672 1 19 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.864 2.028 18224 6673 1 19 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.250 -0.654 18224 6674 1 19 . 1 1 54 54 PHE H H 54 8.143 8.143 7.386 0.757 18224 6675 1 19 . 1 1 55 55 ARG N N 55 117.543 117.543 120.025 -2.482 18224 6676 1 19 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.222 0.641 18224 6677 1 19 . 1 1 55 55 ARG C C 55 177.832 177.832 177.697 0.135 18224 6678 1 19 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.099 1.607 18224 6679 1 19 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.811 -0.334 18224 6680 1 19 . 1 1 55 55 ARG H H 55 8.112 8.112 7.016 1.096 18224 6681 1 19 . 1 1 56 56 LYS N N 56 118.390 118.390 119.195 -0.805 18224 6682 1 19 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.975 0.188 18224 6683 1 19 . 1 1 56 56 LYS C C 56 177.400 177.400 177.961 -0.561 18224 6684 1 19 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.637 -0.927 18224 6685 1 19 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.828 0.951 18224 6686 1 19 . 1 1 56 56 LYS H H 56 7.789 7.789 7.563 0.226 18224 6687 1 19 . 1 1 57 57 LYS N N 57 118.190 118.190 119.577 -1.387 18224 6688 1 19 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.275 -0.016 18224 6689 1 19 . 1 1 57 57 LYS C C 57 176.791 176.791 176.805 -0.014 18224 6690 1 19 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.163 1.262 18224 6691 1 19 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.736 1.087 18224 6692 1 19 . 1 1 57 57 LYS H H 57 7.821 7.821 7.389 0.432 18224 6693 1 19 . 1 1 58 58 GLY N N 58 107.289 107.289 109.525 -2.236 18224 6694 1 19 . 1 1 58 58 GLY C C 58 173.607 173.607 174.608 -1.001 18224 6695 1 19 . 1 1 58 58 GLY CA C 58 45.474 45.474 47.087 -1.613 18224 6696 1 19 . 1 1 58 58 GLY H H 58 7.927 7.927 8.396 -0.469 18224 6697 1 19 . 1 1 59 59 HIS N N 59 116.847 116.847 120.944 -4.097 18224 6698 1 19 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.905 -0.212 18224 6699 1 19 . 1 1 59 59 HIS C C 59 174.153 174.153 174.321 -0.168 18224 6700 1 19 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.339 -1.181 18224 6701 1 19 . 1 1 59 59 HIS CB C 59 28.915 28.915 32.970 -4.055 18224 6702 1 19 . 1 1 59 59 HIS H H 59 8.120 8.120 8.475 -0.355 18224 6703 1 19 . 1 1 60 60 HIS N N 60 118.028 118.028 116.258 1.770 18224 6704 1 19 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.943 -0.251 18224 6705 1 19 . 1 1 60 60 HIS C C 60 173.987 173.987 174.707 -0.720 18224 6706 1 19 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.316 0.192 18224 6707 1 19 . 1 1 60 60 HIS CB C 60 28.825 28.825 32.749 -3.924 18224 6708 1 19 . 1 1 60 60 HIS H H 60 8.328 8.328 8.508 -0.180 18224 6709 1 19 . 1 1 61 61 HIS N N 61 118.101 118.101 117.373 0.728 18224 6710 1 19 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.580 0.110 18224 6711 1 19 . 1 1 61 61 HIS C C 61 174.032 174.032 176.343 -2.311 18224 6712 1 19 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.877 -1.159 18224 6713 1 19 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.583 -1.688 18224 6714 1 19 . 1 1 61 61 HIS H H 61 8.351 8.351 8.339 0.012 18224 6715 1 19 . 1 1 62 62 HIS N N 62 118.704 118.704 119.677 -0.973 18224 6716 1 19 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.367 0.334 18224 6717 1 19 . 1 1 62 62 HIS C C 62 173.803 173.803 175.669 -1.866 18224 6718 1 19 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.813 -2.209 18224 6719 1 19 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.366 -1.202 18224 6720 1 19 . 1 1 62 62 HIS H H 62 8.381 8.381 8.329 0.052 18224 6721 1 19 . 1 1 63 63 HIS N N 63 118.853 118.853 119.306 -0.453 18224 6722 1 19 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.315 0.366 18224 6723 1 19 . 1 1 63 63 HIS C C 63 173.576 173.576 175.420 -1.844 18224 6724 1 19 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.707 -1.009 18224 6725 1 19 . 1 1 63 63 HIS CB C 63 29.133 29.133 28.516 0.617 18224 6726 1 19 . 1 1 63 63 HIS H H 63 8.299 8.299 8.602 -0.303 18224 6727 1 20 . 1 1 2 2 GLU N N 2 122.762 122.762 122.665 0.097 18224 6728 1 20 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.213 0.225 18224 6729 1 20 . 1 1 2 2 GLU C C 2 175.581 175.581 175.825 -0.244 18224 6730 1 20 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.704 -0.344 18224 6731 1 20 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.709 -0.127 18224 6732 1 20 . 1 1 2 2 GLU H H 2 8.628 8.628 8.623 0.005 18224 6733 1 20 . 1 1 3 3 GLU N N 3 121.071 121.071 123.264 -2.193 18224 6734 1 20 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.389 -0.008 18224 6735 1 20 . 1 1 3 3 GLU C C 3 176.457 176.457 176.841 -0.384 18224 6736 1 20 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.403 -0.055 18224 6737 1 20 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.268 -0.069 18224 6738 1 20 . 1 1 3 3 GLU H H 3 8.393 8.393 8.659 -0.266 18224 6739 1 20 . 1 1 4 4 GLY N N 4 109.717 109.717 107.955 1.762 18224 6740 1 20 . 1 1 4 4 GLY C C 4 174.677 174.677 174.684 -0.007 18224 6741 1 20 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.606 1.035 18224 6742 1 20 . 1 1 4 4 GLY H H 4 8.377 8.377 7.648 0.729 18224 6743 1 20 . 1 1 5 5 GLY N N 5 108.373 108.373 107.055 1.318 18224 6744 1 20 . 1 1 5 5 GLY C C 5 174.047 174.047 173.669 0.378 18224 6745 1 20 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.087 0.485 18224 6746 1 20 . 1 1 5 5 GLY H H 5 8.115 8.115 7.999 0.116 18224 6747 1 20 . 1 1 6 6 ASP N N 6 118.996 118.996 121.490 -2.494 18224 6748 1 20 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.728 -0.079 18224 6749 1 20 . 1 1 6 6 ASP C C 6 175.903 175.903 175.763 0.140 18224 6750 1 20 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.776 0.269 18224 6751 1 20 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.828 -3.484 18224 6752 1 20 . 1 1 6 6 ASP H H 6 8.166 8.166 8.275 -0.109 18224 6753 1 20 . 1 1 7 7 PHE N N 7 119.750 119.750 123.977 -4.227 18224 6754 1 20 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.024 0.526 18224 6755 1 20 . 1 1 7 7 PHE C C 7 175.919 175.919 174.313 1.606 18224 6756 1 20 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.839 0.093 18224 6757 1 20 . 1 1 7 7 PHE CB C 7 39.180 39.180 38.885 0.295 18224 6758 1 20 . 1 1 7 7 PHE H H 7 8.151 8.151 8.741 -0.590 18224 6759 1 20 . 1 1 8 8 ASP N N 8 118.526 118.526 121.277 -2.751 18224 6760 1 20 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.497 0.001 18224 6761 1 20 . 1 1 8 8 ASP C C 8 175.787 175.787 174.927 0.860 18224 6762 1 20 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.144 0.491 18224 6763 1 20 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.019 -1.816 18224 6764 1 20 . 1 1 8 8 ASP H H 8 8.161 8.161 7.986 0.175 18224 6765 1 20 . 1 1 9 9 ASN N N 9 117.291 117.291 118.506 -1.215 18224 6766 1 20 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.712 -0.141 18224 6767 1 20 . 1 1 9 9 ASN C C 9 175.142 175.142 174.304 0.838 18224 6768 1 20 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.274 1.660 18224 6769 1 20 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.498 0.294 18224 6770 1 20 . 1 1 9 9 ASN H H 9 8.013 8.013 7.630 0.383 18224 6771 1 20 . 1 1 10 10 TYR N N 10 119.112 119.112 120.223 -1.111 18224 6772 1 20 . 1 1 10 10 TYR HA H 10 4.446 4.446 3.931 0.515 18224 6773 1 20 . 1 1 10 10 TYR C C 10 175.513 175.513 176.466 -0.953 18224 6774 1 20 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.202 0.772 18224 6775 1 20 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.455 0.428 18224 6776 1 20 . 1 1 10 10 TYR H H 10 7.848 7.848 7.468 0.380 18224 6777 1 20 . 1 1 11 11 TYR N N 11 119.438 119.438 117.414 2.024 18224 6778 1 20 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.478 0.029 18224 6779 1 20 . 1 1 11 11 TYR C C 11 175.939 175.939 176.895 -0.956 18224 6780 1 20 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.693 0.604 18224 6781 1 20 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.199 0.768 18224 6782 1 20 . 1 1 11 11 TYR H H 11 7.849 7.849 7.597 0.252 18224 6783 1 20 . 1 1 12 12 GLY N N 12 109.685 109.685 109.095 0.590 18224 6784 1 20 . 1 1 12 12 GLY C C 12 174.099 174.099 174.009 0.090 18224 6785 1 20 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.162 0.383 18224 6786 1 20 . 1 1 12 12 GLY H H 12 7.792 7.792 8.586 -0.794 18224 6787 1 20 . 1 1 13 13 ALA N N 13 123.072 123.072 122.568 0.504 18224 6788 1 20 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.515 -0.240 18224 6789 1 20 . 1 1 13 13 ALA C C 13 177.669 177.669 175.551 2.118 18224 6790 1 20 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.419 1.551 18224 6791 1 20 . 1 1 13 13 ALA CB C 13 19.290 19.290 20.200 -0.910 18224 6792 1 20 . 1 1 13 13 ALA H H 13 7.880 7.880 8.042 -0.162 18224 6793 1 20 . 1 1 14 14 ASP N N 14 117.540 117.540 119.075 -1.535 18224 6794 1 20 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.451 0.198 18224 6795 1 20 . 1 1 14 14 ASP C C 14 175.649 175.649 175.394 0.255 18224 6796 1 20 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.758 -0.794 18224 6797 1 20 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.431 0.252 18224 6798 1 20 . 1 1 14 14 ASP H H 14 8.281 8.281 8.427 -0.146 18224 6799 1 20 . 1 1 15 15 ASN N N 15 118.400 118.400 120.673 -2.273 18224 6800 1 20 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.689 -0.003 18224 6801 1 20 . 1 1 15 15 ASN C C 15 175.351 175.351 175.793 -0.442 18224 6802 1 20 . 1 1 15 15 ASN CA C 15 53.608 53.608 54.056 -0.448 18224 6803 1 20 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.082 -1.140 18224 6804 1 20 . 1 1 15 15 ASN H H 15 8.137 8.137 8.328 -0.191 18224 6805 1 20 . 1 1 16 16 GLN N N 16 120.072 120.072 119.763 0.309 18224 6806 1 20 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.173 0.187 18224 6807 1 20 . 1 1 16 16 GLN C C 16 176.206 176.206 176.058 0.148 18224 6808 1 20 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.396 0.006 18224 6809 1 20 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.871 1.298 18224 6810 1 20 . 1 1 16 16 GLN H H 16 8.284 8.284 7.770 0.514 18224 6811 1 20 . 1 1 17 17 SER N N 17 116.112 116.112 116.786 -0.674 18224 6812 1 20 . 1 1 17 17 SER HA H 17 4.440 4.440 4.178 0.262 18224 6813 1 20 . 1 1 17 17 SER C C 17 174.568 174.568 174.362 0.206 18224 6814 1 20 . 1 1 17 17 SER CA C 17 58.911 58.911 59.232 -0.321 18224 6815 1 20 . 1 1 17 17 SER CB C 17 63.897 63.897 63.647 0.250 18224 6816 1 20 . 1 1 17 17 SER H H 17 8.211 8.211 7.565 0.646 18224 6817 1 20 . 1 1 18 18 GLU N N 18 121.378 121.378 120.958 0.420 18224 6818 1 20 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.114 0.265 18224 6819 1 20 . 1 1 18 18 GLU C C 18 175.934 175.934 174.674 1.260 18224 6820 1 20 . 1 1 18 18 GLU CA C 18 56.406 56.406 57.407 -1.001 18224 6821 1 20 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.556 -0.423 18224 6822 1 20 . 1 1 18 18 GLU H H 18 8.262 8.262 8.597 -0.335 18224 6823 1 20 . 1 1 19 19 CYS N N 19 119.418 119.418 121.456 -2.038 18224 6824 1 20 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.745 -0.301 18224 6825 1 20 . 1 1 19 19 CYS C C 19 174.568 174.568 174.229 0.339 18224 6826 1 20 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.641 0.199 18224 6827 1 20 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.757 -1.784 18224 6828 1 20 . 1 1 19 19 CYS H H 19 8.182 8.182 8.143 0.039 18224 6829 1 20 . 1 1 20 20 GLU N N 20 122.737 122.737 120.192 2.545 18224 6830 1 20 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.914 0.393 18224 6831 1 20 . 1 1 20 20 GLU C C 20 176.083 176.083 176.824 -0.741 18224 6832 1 20 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.861 -1.321 18224 6833 1 20 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.701 -0.835 18224 6834 1 20 . 1 1 20 20 GLU H H 20 8.303 8.303 8.787 -0.484 18224 6835 1 20 . 1 1 21 21 TYR N N 21 119.549 119.549 115.185 4.364 18224 6836 1 20 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.244 0.230 18224 6837 1 20 . 1 1 21 21 TYR C C 21 175.826 175.826 174.174 1.652 18224 6838 1 20 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.588 -0.917 18224 6839 1 20 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.585 1.004 18224 6840 1 20 . 1 1 21 21 TYR H H 21 7.888 7.888 8.187 -0.299 18224 6841 1 20 . 1 1 22 22 THR N N 22 112.218 112.218 112.616 -0.398 18224 6842 1 20 . 1 1 22 22 THR HA H 22 4.163 4.163 3.064 1.099 18224 6843 1 20 . 1 1 22 22 THR C C 22 174.737 174.737 174.039 0.698 18224 6844 1 20 . 1 1 22 22 THR CA C 22 62.778 62.778 64.210 -1.432 18224 6845 1 20 . 1 1 22 22 THR CB C 22 69.531 69.531 68.691 0.840 18224 6846 1 20 . 1 1 22 22 THR H H 22 7.683 7.683 7.034 0.649 18224 6847 1 20 . 1 1 23 23 ASP N N 23 121.090 121.090 120.682 0.408 18224 6848 1 20 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.657 0.054 18224 6849 1 20 . 1 1 23 23 ASP C C 23 176.279 176.279 177.082 -0.803 18224 6850 1 20 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.273 0.837 18224 6851 1 20 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.431 -1.093 18224 6852 1 20 . 1 1 23 23 ASP H H 23 8.059 8.059 7.289 0.770 18224 6853 1 20 . 1 1 24 24 TRP N N 24 121.546 121.546 120.534 1.012 18224 6854 1 20 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.379 0.107 18224 6855 1 20 . 1 1 24 24 TRP C C 24 177.051 177.051 176.688 0.363 18224 6856 1 20 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.630 1.198 18224 6857 1 20 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.024 1.044 18224 6858 1 20 . 1 1 24 24 TRP H H 24 7.888 7.888 6.665 1.223 18224 6859 1 20 . 1 1 25 25 LYS N N 25 120.106 120.106 120.576 -0.470 18224 6860 1 20 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.431 -0.441 18224 6861 1 20 . 1 1 25 25 LYS C C 25 176.764 176.764 175.792 0.972 18224 6862 1 20 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.820 0.902 18224 6863 1 20 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.942 1.359 18224 6864 1 20 . 1 1 25 25 LYS H H 25 7.620 7.620 8.082 -0.463 18224 6865 1 20 . 1 1 26 26 SER N N 26 114.114 114.114 121.448 -7.334 18224 6866 1 20 . 1 1 26 26 SER HA H 26 4.471 4.471 4.589 -0.118 18224 6867 1 20 . 1 1 26 26 SER C C 26 175.124 175.124 175.386 -0.262 18224 6868 1 20 . 1 1 26 26 SER CA C 26 58.757 58.757 58.869 -0.112 18224 6869 1 20 . 1 1 26 26 SER CB C 26 63.812 63.812 64.056 -0.244 18224 6870 1 20 . 1 1 26 26 SER H H 26 7.796 7.796 8.418 -0.622 18224 6871 1 20 . 1 1 27 27 SER N N 27 116.655 116.655 118.409 -1.754 18224 6872 1 20 . 1 1 27 27 SER HA H 27 4.386 4.386 4.587 -0.201 18224 6873 1 20 . 1 1 27 27 SER C C 27 175.505 175.505 175.555 -0.050 18224 6874 1 20 . 1 1 27 27 SER CA C 27 59.611 59.611 58.877 0.734 18224 6875 1 20 . 1 1 27 27 SER CB C 27 64.117 64.117 63.991 0.126 18224 6876 1 20 . 1 1 27 27 SER H H 27 8.046 8.046 8.504 -0.458 18224 6877 1 20 . 1 1 28 28 GLY N N 28 111.049 111.049 109.346 1.703 18224 6878 1 20 . 1 1 28 28 GLY C C 28 174.495 174.495 173.933 0.562 18224 6879 1 20 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.091 1.030 18224 6880 1 20 . 1 1 28 28 GLY H H 28 8.304 8.304 8.187 0.117 18224 6881 1 20 . 1 1 29 29 ALA N N 29 121.693 121.693 120.310 1.383 18224 6882 1 20 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.003 0.346 18224 6883 1 20 . 1 1 29 29 ALA C C 29 177.695 177.695 176.808 0.887 18224 6884 1 20 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.206 -0.095 18224 6885 1 20 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.959 2.005 18224 6886 1 20 . 1 1 29 29 ALA H H 29 7.941 7.941 8.099 -0.158 18224 6887 1 20 . 1 1 30 30 LEU N N 30 117.996 117.996 117.513 0.483 18224 6888 1 20 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.628 -0.446 18224 6889 1 20 . 1 1 30 30 LEU C C 30 177.484 177.484 175.388 2.096 18224 6890 1 20 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.851 3.119 18224 6891 1 20 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.858 -0.436 18224 6892 1 20 . 1 1 30 30 LEU H H 30 7.968 7.968 7.922 0.046 18224 6893 1 20 . 1 1 31 31 ILE N N 31 117.106 117.106 117.682 -0.576 18224 6894 1 20 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.175 -0.236 18224 6895 1 20 . 1 1 31 31 ILE C C 31 174.998 174.998 175.052 -0.054 18224 6896 1 20 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.660 3.262 18224 6897 1 20 . 1 1 31 31 ILE CB C 31 35.108 35.108 37.122 -2.014 18224 6898 1 20 . 1 1 31 31 ILE H H 31 8.027 8.027 8.113 -0.086 18224 6899 1 20 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.360 -0.076 18224 6900 1 20 . 1 1 32 32 PRO C C 32 178.663 178.663 177.738 0.925 18224 6901 1 20 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.675 0.318 18224 6902 1 20 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.221 -0.165 18224 6903 1 20 . 1 1 33 33 ALA N N 33 119.031 119.031 118.503 0.528 18224 6904 1 20 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.394 -0.228 18224 6905 1 20 . 1 1 33 33 ALA C C 33 178.942 178.942 178.395 0.547 18224 6906 1 20 . 1 1 33 33 ALA CA C 33 55.540 55.540 53.774 1.766 18224 6907 1 20 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.597 -0.112 18224 6908 1 20 . 1 1 33 33 ALA H H 33 7.580 7.580 8.384 -0.804 18224 6909 1 20 . 1 1 34 34 ILE N N 34 117.923 117.923 116.670 1.253 18224 6910 1 20 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.065 -0.366 18224 6911 1 20 . 1 1 34 34 ILE C C 34 177.833 177.833 176.427 1.406 18224 6912 1 20 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.570 2.542 18224 6913 1 20 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.401 -1.050 18224 6914 1 20 . 1 1 34 34 ILE H H 34 8.234 8.234 7.528 0.706 18224 6915 1 20 . 1 1 35 35 TYR N N 35 118.746 118.746 120.705 -1.959 18224 6916 1 20 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.326 -0.211 18224 6917 1 20 . 1 1 35 35 TYR C C 35 178.044 178.044 176.493 1.551 18224 6918 1 20 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.315 0.444 18224 6919 1 20 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.030 -1.015 18224 6920 1 20 . 1 1 35 35 TYR H H 35 8.355 8.355 7.270 1.085 18224 6921 1 20 . 1 1 36 36 MET N N 36 117.813 117.813 116.446 1.367 18224 6922 1 20 . 1 1 36 36 MET HA H 36 4.281 4.281 4.509 -0.228 18224 6923 1 20 . 1 1 36 36 MET C C 36 178.139 178.139 177.329 0.810 18224 6924 1 20 . 1 1 36 36 MET CA C 36 58.482 58.482 56.728 1.754 18224 6925 1 20 . 1 1 36 36 MET CB C 36 31.716 31.716 33.233 -1.517 18224 6926 1 20 . 1 1 36 36 MET H H 36 8.107 8.107 7.639 0.468 18224 6927 1 20 . 1 1 37 37 LEU N N 37 120.311 120.311 120.190 0.121 18224 6928 1 20 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.203 -0.128 18224 6929 1 20 . 1 1 37 37 LEU C C 37 178.399 178.399 176.703 1.696 18224 6930 1 20 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.821 1.649 18224 6931 1 20 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.474 0.479 18224 6932 1 20 . 1 1 37 37 LEU H H 37 8.229 8.229 7.906 0.323 18224 6933 1 20 . 1 1 38 38 VAL N N 38 118.080 118.080 117.202 0.878 18224 6934 1 20 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.162 -0.637 18224 6935 1 20 . 1 1 38 38 VAL C C 38 178.139 178.139 176.660 1.479 18224 6936 1 20 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.040 4.112 18224 6937 1 20 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.839 -1.389 18224 6938 1 20 . 1 1 38 38 VAL H H 38 8.363 8.363 7.430 0.933 18224 6939 1 20 . 1 1 39 39 PHE N N 39 120.151 120.151 120.221 -0.070 18224 6940 1 20 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.380 -0.157 18224 6941 1 20 . 1 1 39 39 PHE C C 39 178.544 178.544 177.346 1.198 18224 6942 1 20 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.986 0.340 18224 6943 1 20 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.312 -0.396 18224 6944 1 20 . 1 1 39 39 PHE H H 39 8.306 8.306 7.429 0.877 18224 6945 1 20 . 1 1 40 40 LEU N N 40 121.004 121.004 118.183 2.821 18224 6946 1 20 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.343 -0.320 18224 6947 1 20 . 1 1 40 40 LEU C C 40 179.704 179.704 178.409 1.295 18224 6948 1 20 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.169 0.769 18224 6949 1 20 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.000 1.292 18224 6950 1 20 . 1 1 40 40 LEU H H 40 8.567 8.567 7.678 0.889 18224 6951 1 20 . 1 1 41 41 LEU N N 41 119.593 119.593 116.920 2.673 18224 6952 1 20 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.144 -0.083 18224 6953 1 20 . 1 1 41 41 LEU C C 41 178.966 178.966 178.052 0.914 18224 6954 1 20 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.497 1.199 18224 6955 1 20 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.409 0.383 18224 6956 1 20 . 1 1 41 41 LEU H H 41 8.503 8.503 8.051 0.452 18224 6957 1 20 . 1 1 42 42 GLY N N 42 105.838 105.838 101.933 3.905 18224 6958 1 20 . 1 1 42 42 GLY C C 42 175.587 175.587 173.314 2.273 18224 6959 1 20 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.674 0.896 18224 6960 1 20 . 1 1 42 42 GLY H H 42 8.355 8.355 8.099 0.256 18224 6961 1 20 . 1 1 43 43 THR N N 43 112.333 112.333 114.159 -1.826 18224 6962 1 20 . 1 1 43 43 THR HA H 43 4.290 4.290 4.493 -0.203 18224 6963 1 20 . 1 1 43 43 THR C C 43 175.765 175.765 173.477 2.288 18224 6964 1 20 . 1 1 43 43 THR CA C 43 63.680 63.680 62.227 1.453 18224 6965 1 20 . 1 1 43 43 THR CB C 43 69.626 69.626 69.222 0.404 18224 6966 1 20 . 1 1 43 43 THR H H 43 7.895 7.895 7.762 0.133 18224 6967 1 20 . 1 1 44 44 THR N N 44 112.041 112.041 119.893 -7.852 18224 6968 1 20 . 1 1 44 44 THR HA H 44 4.388 4.388 4.097 0.291 18224 6969 1 20 . 1 1 44 44 THR C C 44 175.555 175.555 173.052 2.503 18224 6970 1 20 . 1 1 44 44 THR CA C 44 62.732 62.732 63.508 -0.776 18224 6971 1 20 . 1 1 44 44 THR CB C 44 70.240 70.240 68.476 1.764 18224 6972 1 20 . 1 1 44 44 THR H H 44 7.684 7.684 8.901 -1.217 18224 6973 1 20 . 1 1 45 45 GLY N N 45 109.756 109.756 106.447 3.309 18224 6974 1 20 . 1 1 45 45 GLY C C 45 174.948 174.948 172.736 2.212 18224 6975 1 20 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.122 1.230 18224 6976 1 20 . 1 1 45 45 GLY H H 45 8.058 8.058 8.130 -0.072 18224 6977 1 20 . 1 1 46 46 ASN N N 46 117.561 117.561 117.579 -0.018 18224 6978 1 20 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.906 -0.061 18224 6979 1 20 . 1 1 46 46 ASN C C 46 175.853 175.853 175.880 -0.027 18224 6980 1 20 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.326 1.766 18224 6981 1 20 . 1 1 46 46 ASN CB C 46 39.513 39.513 40.325 -0.812 18224 6982 1 20 . 1 1 46 46 ASN H H 46 8.202 8.202 8.240 -0.038 18224 6983 1 20 . 1 1 47 47 GLY N N 47 108.715 108.715 109.507 -0.792 18224 6984 1 20 . 1 1 47 47 GLY C C 47 174.431 174.431 174.561 -0.130 18224 6985 1 20 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.669 1.492 18224 6986 1 20 . 1 1 47 47 GLY H H 47 8.600 8.600 8.244 0.356 18224 6987 1 20 . 1 1 48 48 LEU N N 48 120.089 120.089 122.182 -2.093 18224 6988 1 20 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.304 0.015 18224 6989 1 20 . 1 1 48 48 LEU C C 48 179.243 179.243 177.996 1.247 18224 6990 1 20 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.128 1.188 18224 6991 1 20 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.402 0.436 18224 6992 1 20 . 1 1 48 48 LEU H H 48 8.003 8.003 8.057 -0.054 18224 6993 1 20 . 1 1 49 49 VAL N N 49 120.573 120.573 118.592 1.981 18224 6994 1 20 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.110 -0.289 18224 6995 1 20 . 1 1 49 49 VAL C C 49 177.520 177.520 177.697 -0.177 18224 6996 1 20 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.532 0.530 18224 6997 1 20 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.664 -0.176 18224 6998 1 20 . 1 1 49 49 VAL H H 49 7.910 7.910 7.860 0.050 18224 6999 1 20 . 1 1 50 50 LEU N N 50 119.718 119.718 117.222 2.496 18224 7000 1 20 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.331 -0.304 18224 7001 1 20 . 1 1 50 50 LEU C C 50 178.169 178.169 178.044 0.125 18224 7002 1 20 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.150 0.902 18224 7003 1 20 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.592 1.149 18224 7004 1 20 . 1 1 50 50 LEU H H 50 7.860 7.860 8.114 -0.254 18224 7005 1 20 . 1 1 51 51 TRP N N 51 118.071 118.071 121.004 -2.933 18224 7006 1 20 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.782 -0.240 18224 7007 1 20 . 1 1 51 51 TRP C C 51 177.296 177.296 176.644 0.652 18224 7008 1 20 . 1 1 51 51 TRP CA C 51 59.918 59.918 58.882 1.036 18224 7009 1 20 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.360 0.615 18224 7010 1 20 . 1 1 51 51 TRP H H 51 8.109 8.109 7.721 0.388 18224 7011 1 20 . 1 1 52 52 THR N N 52 113.243 113.243 117.204 -3.961 18224 7012 1 20 . 1 1 52 52 THR HA H 52 3.773 3.773 3.644 0.129 18224 7013 1 20 . 1 1 52 52 THR C C 52 176.402 176.402 176.247 0.155 18224 7014 1 20 . 1 1 52 52 THR CA C 52 66.690 66.690 65.910 0.780 18224 7015 1 20 . 1 1 52 52 THR CB C 52 68.921 68.921 68.628 0.293 18224 7016 1 20 . 1 1 52 52 THR H H 52 8.072 8.072 7.709 0.363 18224 7017 1 20 . 1 1 53 53 VAL N N 53 120.307 120.307 120.664 -0.357 18224 7018 1 20 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.644 0.019 18224 7019 1 20 . 1 1 53 53 VAL C C 53 177.362 177.362 177.042 0.320 18224 7020 1 20 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.188 0.104 18224 7021 1 20 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.828 -0.111 18224 7022 1 20 . 1 1 53 53 VAL H H 53 8.006 8.006 7.511 0.495 18224 7023 1 20 . 1 1 54 54 PHE N N 54 119.041 119.041 118.482 0.559 18224 7024 1 20 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.270 -0.042 18224 7025 1 20 . 1 1 54 54 PHE C C 54 177.476 177.476 175.842 1.634 18224 7026 1 20 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.701 1.191 18224 7027 1 20 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.071 -0.474 18224 7028 1 20 . 1 1 54 54 PHE H H 54 8.143 8.143 7.520 0.623 18224 7029 1 20 . 1 1 55 55 ARG N N 55 117.543 117.543 118.680 -1.137 18224 7030 1 20 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.094 0.769 18224 7031 1 20 . 1 1 55 55 ARG C C 55 177.832 177.832 178.103 -0.271 18224 7032 1 20 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.672 0.034 18224 7033 1 20 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.679 -0.203 18224 7034 1 20 . 1 1 55 55 ARG H H 55 8.112 8.112 7.145 0.967 18224 7035 1 20 . 1 1 56 56 LYS N N 56 118.390 118.390 118.515 -0.125 18224 7036 1 20 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.944 0.219 18224 7037 1 20 . 1 1 56 56 LYS C C 56 177.400 177.400 179.061 -1.661 18224 7038 1 20 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.660 -0.950 18224 7039 1 20 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.878 0.901 18224 7040 1 20 . 1 1 56 56 LYS H H 56 7.789 7.789 7.551 0.238 18224 7041 1 20 . 1 1 57 57 LYS N N 57 118.190 118.190 120.677 -2.487 18224 7042 1 20 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.284 -0.025 18224 7043 1 20 . 1 1 57 57 LYS C C 57 176.791 176.791 176.095 0.696 18224 7044 1 20 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.299 1.126 18224 7045 1 20 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.977 1.846 18224 7046 1 20 . 1 1 57 57 LYS H H 57 7.821 7.821 7.334 0.487 18224 7047 1 20 . 1 1 58 58 GLY N N 58 107.289 107.289 107.033 0.256 18224 7048 1 20 . 1 1 58 58 GLY C C 58 173.607 173.607 174.242 -0.635 18224 7049 1 20 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.773 0.701 18224 7050 1 20 . 1 1 58 58 GLY H H 58 7.927 7.927 7.527 0.400 18224 7051 1 20 . 1 1 59 59 HIS N N 59 116.847 116.847 117.396 -0.549 18224 7052 1 20 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.519 0.174 18224 7053 1 20 . 1 1 59 59 HIS C C 59 174.153 174.153 176.006 -1.853 18224 7054 1 20 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.555 -1.397 18224 7055 1 20 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.572 -1.657 18224 7056 1 20 . 1 1 59 59 HIS H H 59 8.120 8.120 7.842 0.278 18224 7057 1 20 . 1 1 60 60 HIS N N 60 118.028 118.028 118.104 -0.076 18224 7058 1 20 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.223 0.469 18224 7059 1 20 . 1 1 60 60 HIS C C 60 173.987 173.987 175.070 -1.083 18224 7060 1 20 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.399 -0.891 18224 7061 1 20 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.979 -1.154 18224 7062 1 20 . 1 1 60 60 HIS H H 60 8.328 8.328 8.357 -0.029 18224 7063 1 20 . 1 1 61 61 HIS N N 61 118.101 118.101 119.878 -1.777 18224 7064 1 20 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.031 0.659 18224 7065 1 20 . 1 1 61 61 HIS C C 61 174.032 174.032 176.106 -2.074 18224 7066 1 20 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.458 -0.740 18224 7067 1 20 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.927 -1.032 18224 7068 1 20 . 1 1 61 61 HIS H H 61 8.351 8.351 7.834 0.517 18224 7069 1 20 . 1 1 62 62 HIS N N 62 118.704 118.704 120.154 -1.450 18224 7070 1 20 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.423 0.278 18224 7071 1 20 . 1 1 62 62 HIS C C 62 173.803 173.803 175.852 -2.049 18224 7072 1 20 . 1 1 62 62 HIS CA C 62 55.604 55.604 58.345 -2.741 18224 7073 1 20 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.642 -0.479 18224 7074 1 20 . 1 1 62 62 HIS H H 62 8.381 8.381 8.061 0.320 18224 7075 1 20 . 1 1 63 63 HIS N N 63 118.853 118.853 118.489 0.364 18224 7076 1 20 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.498 0.183 18224 7077 1 20 . 1 1 63 63 HIS C C 63 173.576 173.576 175.404 -1.828 18224 7078 1 20 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.333 0.365 18224 7079 1 20 . 1 1 63 63 HIS CB C 63 29.133 29.133 27.290 1.843 18224 7080 1 20 . 1 1 63 63 HIS H H 63 8.299 8.299 7.930 0.369 18224 7081 1 21 . 1 1 2 2 GLU N N 2 122.762 122.762 120.851 1.911 18224 7082 1 21 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.108 0.330 18224 7083 1 21 . 1 1 2 2 GLU C C 2 175.581 175.581 175.021 0.560 18224 7084 1 21 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.272 -0.912 18224 7085 1 21 . 1 1 2 2 GLU CB C 2 29.582 29.582 28.171 1.411 18224 7086 1 21 . 1 1 2 2 GLU H H 2 8.628 8.628 8.760 -0.132 18224 7087 1 21 . 1 1 3 3 GLU N N 3 121.071 121.071 120.317 0.754 18224 7088 1 21 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.540 -0.159 18224 7089 1 21 . 1 1 3 3 GLU C C 3 176.457 176.457 176.958 -0.501 18224 7090 1 21 . 1 1 3 3 GLU CA C 3 56.348 56.348 55.944 0.404 18224 7091 1 21 . 1 1 3 3 GLU CB C 3 29.199 29.199 31.243 -2.044 18224 7092 1 21 . 1 1 3 3 GLU H H 3 8.393 8.393 8.151 0.242 18224 7093 1 21 . 1 1 4 4 GLY N N 4 109.717 109.717 109.217 0.500 18224 7094 1 21 . 1 1 4 4 GLY C C 4 174.677 174.677 173.644 1.033 18224 7095 1 21 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.884 0.757 18224 7096 1 21 . 1 1 4 4 GLY H H 4 8.377 8.377 8.272 0.105 18224 7097 1 21 . 1 1 5 5 GLY N N 5 108.373 108.373 108.322 0.051 18224 7098 1 21 . 1 1 5 5 GLY C C 5 174.047 174.047 172.766 1.281 18224 7099 1 21 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.209 0.363 18224 7100 1 21 . 1 1 5 5 GLY H H 5 8.115 8.115 7.684 0.431 18224 7101 1 21 . 1 1 6 6 ASP N N 6 118.996 118.996 120.371 -1.375 18224 7102 1 21 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.820 -0.171 18224 7103 1 21 . 1 1 6 6 ASP C C 6 175.903 175.903 175.184 0.719 18224 7104 1 21 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.468 0.577 18224 7105 1 21 . 1 1 6 6 ASP CB C 6 39.344 39.344 43.360 -4.016 18224 7106 1 21 . 1 1 6 6 ASP H H 6 8.166 8.166 8.152 0.014 18224 7107 1 21 . 1 1 7 7 PHE N N 7 119.750 119.750 120.492 -0.742 18224 7108 1 21 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.691 -0.141 18224 7109 1 21 . 1 1 7 7 PHE C C 7 175.919 175.919 174.822 1.097 18224 7110 1 21 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.610 0.322 18224 7111 1 21 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.806 -1.626 18224 7112 1 21 . 1 1 7 7 PHE H H 7 8.151 8.151 8.394 -0.243 18224 7113 1 21 . 1 1 8 8 ASP N N 8 118.526 118.526 124.338 -5.812 18224 7114 1 21 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.708 -0.210 18224 7115 1 21 . 1 1 8 8 ASP C C 8 175.787 175.787 175.464 0.323 18224 7116 1 21 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.266 -0.631 18224 7117 1 21 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.297 -2.094 18224 7118 1 21 . 1 1 8 8 ASP H H 8 8.161 8.161 8.347 -0.186 18224 7119 1 21 . 1 1 9 9 ASN N N 9 117.291 117.291 118.625 -1.334 18224 7120 1 21 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.919 -0.348 18224 7121 1 21 . 1 1 9 9 ASN C C 9 175.142 175.142 174.763 0.379 18224 7122 1 21 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.828 0.106 18224 7123 1 21 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.848 -0.056 18224 7124 1 21 . 1 1 9 9 ASN H H 9 8.013 8.013 8.366 -0.353 18224 7125 1 21 . 1 1 10 10 TYR N N 10 119.112 119.112 120.036 -0.924 18224 7126 1 21 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.205 0.241 18224 7127 1 21 . 1 1 10 10 TYR C C 10 175.513 175.513 175.774 -0.261 18224 7128 1 21 . 1 1 10 10 TYR CA C 10 58.974 58.974 59.670 -0.696 18224 7129 1 21 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.133 0.750 18224 7130 1 21 . 1 1 10 10 TYR H H 10 7.848 7.848 8.416 -0.568 18224 7131 1 21 . 1 1 11 11 TYR N N 11 119.438 119.438 119.711 -0.273 18224 7132 1 21 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.360 0.147 18224 7133 1 21 . 1 1 11 11 TYR C C 11 175.939 175.939 176.672 -0.733 18224 7134 1 21 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.426 -1.129 18224 7135 1 21 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.535 0.432 18224 7136 1 21 . 1 1 11 11 TYR H H 11 7.849 7.849 7.606 0.243 18224 7137 1 21 . 1 1 12 12 GLY N N 12 109.685 109.685 112.221 -2.536 18224 7138 1 21 . 1 1 12 12 GLY C C 12 174.099 174.099 174.170 -0.071 18224 7139 1 21 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.102 0.443 18224 7140 1 21 . 1 1 12 12 GLY H H 12 7.792 7.792 8.438 -0.646 18224 7141 1 21 . 1 1 13 13 ALA N N 13 123.072 123.072 124.826 -1.754 18224 7142 1 21 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.569 -0.294 18224 7143 1 21 . 1 1 13 13 ALA C C 13 177.669 177.669 176.806 0.863 18224 7144 1 21 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.131 1.839 18224 7145 1 21 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.291 1.000 18224 7146 1 21 . 1 1 13 13 ALA H H 13 7.880 7.880 8.361 -0.481 18224 7147 1 21 . 1 1 14 14 ASP N N 14 117.540 117.540 122.625 -5.085 18224 7148 1 21 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.563 0.086 18224 7149 1 21 . 1 1 14 14 ASP C C 14 175.649 175.649 175.500 0.149 18224 7150 1 21 . 1 1 14 14 ASP CA C 14 53.964 53.964 55.192 -1.228 18224 7151 1 21 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.326 0.357 18224 7152 1 21 . 1 1 14 14 ASP H H 14 8.281 8.281 8.213 0.068 18224 7153 1 21 . 1 1 15 15 ASN N N 15 118.400 118.400 117.713 0.687 18224 7154 1 21 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.769 -0.083 18224 7155 1 21 . 1 1 15 15 ASN C C 15 175.351 175.351 174.635 0.716 18224 7156 1 21 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.338 0.270 18224 7157 1 21 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.610 -0.668 18224 7158 1 21 . 1 1 15 15 ASN H H 15 8.137 8.137 8.463 -0.326 18224 7159 1 21 . 1 1 16 16 GLN N N 16 120.072 120.072 119.913 0.159 18224 7160 1 21 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.341 0.019 18224 7161 1 21 . 1 1 16 16 GLN C C 16 176.206 176.206 174.882 1.324 18224 7162 1 21 . 1 1 16 16 GLN CA C 16 56.402 56.402 54.881 1.521 18224 7163 1 21 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.752 2.417 18224 7164 1 21 . 1 1 16 16 GLN H H 16 8.284 8.284 8.286 -0.002 18224 7165 1 21 . 1 1 17 17 SER N N 17 116.112 116.112 117.695 -1.583 18224 7166 1 21 . 1 1 17 17 SER HA H 17 4.440 4.440 4.498 -0.058 18224 7167 1 21 . 1 1 17 17 SER C C 17 174.568 174.568 173.671 0.897 18224 7168 1 21 . 1 1 17 17 SER CA C 17 58.911 58.911 57.981 0.930 18224 7169 1 21 . 1 1 17 17 SER CB C 17 63.897 63.897 63.243 0.654 18224 7170 1 21 . 1 1 17 17 SER H H 17 8.211 8.211 7.974 0.237 18224 7171 1 21 . 1 1 18 18 GLU N N 18 121.378 121.378 126.466 -5.088 18224 7172 1 21 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.623 -0.244 18224 7173 1 21 . 1 1 18 18 GLU C C 18 175.934 175.934 176.032 -0.098 18224 7174 1 21 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.697 0.709 18224 7175 1 21 . 1 1 18 18 GLU CB C 18 29.133 29.133 32.983 -3.850 18224 7176 1 21 . 1 1 18 18 GLU H H 18 8.262 8.262 8.386 -0.124 18224 7177 1 21 . 1 1 19 19 CYS N N 19 119.418 119.418 121.112 -1.694 18224 7178 1 21 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.820 -0.376 18224 7179 1 21 . 1 1 19 19 CYS C C 19 174.568 174.568 175.294 -0.726 18224 7180 1 21 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.277 -0.438 18224 7181 1 21 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.003 -0.030 18224 7182 1 21 . 1 1 19 19 CYS H H 19 8.182 8.182 8.838 -0.656 18224 7183 1 21 . 1 1 20 20 GLU N N 20 122.737 122.737 120.385 2.352 18224 7184 1 21 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.218 0.089 18224 7185 1 21 . 1 1 20 20 GLU C C 20 176.083 176.083 177.049 -0.966 18224 7186 1 21 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.751 -0.211 18224 7187 1 21 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.309 -1.443 18224 7188 1 21 . 1 1 20 20 GLU H H 20 8.303 8.303 8.133 0.170 18224 7189 1 21 . 1 1 21 21 TYR N N 21 119.549 119.549 118.530 1.019 18224 7190 1 21 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.107 0.367 18224 7191 1 21 . 1 1 21 21 TYR C C 21 175.826 175.826 174.460 1.366 18224 7192 1 21 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.667 -0.996 18224 7193 1 21 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.634 0.955 18224 7194 1 21 . 1 1 21 21 TYR H H 21 7.888 7.888 8.252 -0.364 18224 7195 1 21 . 1 1 22 22 THR N N 22 112.218 112.218 110.382 1.836 18224 7196 1 21 . 1 1 22 22 THR HA H 22 4.163 4.163 2.866 1.297 18224 7197 1 21 . 1 1 22 22 THR C C 22 174.737 174.737 173.233 1.504 18224 7198 1 21 . 1 1 22 22 THR CA C 22 62.778 62.778 63.538 -0.760 18224 7199 1 21 . 1 1 22 22 THR CB C 22 69.531 69.531 69.341 0.190 18224 7200 1 21 . 1 1 22 22 THR H H 22 7.683 7.683 7.234 0.449 18224 7201 1 21 . 1 1 23 23 ASP N N 23 121.090 121.090 121.282 -0.192 18224 7202 1 21 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.624 0.087 18224 7203 1 21 . 1 1 23 23 ASP C C 23 176.279 176.279 177.587 -1.308 18224 7204 1 21 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.267 0.843 18224 7205 1 21 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.710 -1.372 18224 7206 1 21 . 1 1 23 23 ASP H H 23 8.059 8.059 7.577 0.482 18224 7207 1 21 . 1 1 24 24 TRP N N 24 121.546 121.546 122.422 -0.876 18224 7208 1 21 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.354 0.132 18224 7209 1 21 . 1 1 24 24 TRP C C 24 177.051 177.051 176.103 0.948 18224 7210 1 21 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.455 1.373 18224 7211 1 21 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.538 1.530 18224 7212 1 21 . 1 1 24 24 TRP H H 24 7.888 7.888 6.768 1.120 18224 7213 1 21 . 1 1 25 25 LYS N N 25 120.106 120.106 121.351 -1.245 18224 7214 1 21 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.459 -0.469 18224 7215 1 21 . 1 1 25 25 LYS C C 25 176.764 176.764 175.257 1.507 18224 7216 1 21 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.423 1.299 18224 7217 1 21 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.566 1.735 18224 7218 1 21 . 1 1 25 25 LYS H H 25 7.620 7.620 8.150 -0.530 18224 7219 1 21 . 1 1 26 26 SER N N 26 114.114 114.114 119.267 -5.153 18224 7220 1 21 . 1 1 26 26 SER HA H 26 4.471 4.471 4.547 -0.076 18224 7221 1 21 . 1 1 26 26 SER C C 26 175.124 175.124 174.169 0.955 18224 7222 1 21 . 1 1 26 26 SER CA C 26 58.757 58.757 58.417 0.340 18224 7223 1 21 . 1 1 26 26 SER CB C 26 63.812 63.812 64.791 -0.979 18224 7224 1 21 . 1 1 26 26 SER H H 26 7.796 7.796 8.157 -0.361 18224 7225 1 21 . 1 1 27 27 SER N N 27 116.655 116.655 118.367 -1.712 18224 7226 1 21 . 1 1 27 27 SER HA H 27 4.386 4.386 4.185 0.201 18224 7227 1 21 . 1 1 27 27 SER C C 27 175.505 175.505 174.894 0.611 18224 7228 1 21 . 1 1 27 27 SER CA C 27 59.611 59.611 59.477 0.134 18224 7229 1 21 . 1 1 27 27 SER CB C 27 64.117 64.117 62.669 1.448 18224 7230 1 21 . 1 1 27 27 SER H H 27 8.046 8.046 8.782 -0.736 18224 7231 1 21 . 1 1 28 28 GLY N N 28 111.049 111.049 105.898 5.151 18224 7232 1 21 . 1 1 28 28 GLY C C 28 174.495 174.495 174.353 0.142 18224 7233 1 21 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.267 0.854 18224 7234 1 21 . 1 1 28 28 GLY H H 28 8.304 8.304 8.337 -0.033 18224 7235 1 21 . 1 1 29 29 ALA N N 29 121.693 121.693 119.939 1.754 18224 7236 1 21 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.943 0.406 18224 7237 1 21 . 1 1 29 29 ALA C C 29 177.695 177.695 176.899 0.796 18224 7238 1 21 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.216 -0.105 18224 7239 1 21 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.890 2.074 18224 7240 1 21 . 1 1 29 29 ALA H H 29 7.941 7.941 8.096 -0.155 18224 7241 1 21 . 1 1 30 30 LEU N N 30 117.996 117.996 118.299 -0.303 18224 7242 1 21 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.406 -0.224 18224 7243 1 21 . 1 1 30 30 LEU C C 30 177.484 177.484 176.543 0.941 18224 7244 1 21 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.923 3.047 18224 7245 1 21 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.944 -0.522 18224 7246 1 21 . 1 1 30 30 LEU H H 30 7.968 7.968 7.748 0.220 18224 7247 1 21 . 1 1 31 31 ILE N N 31 117.106 117.106 119.298 -2.192 18224 7248 1 21 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.138 -0.199 18224 7249 1 21 . 1 1 31 31 ILE C C 31 174.998 174.998 174.628 0.370 18224 7250 1 21 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.366 3.556 18224 7251 1 21 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.499 -1.391 18224 7252 1 21 . 1 1 31 31 ILE H H 31 8.027 8.027 7.971 0.056 18224 7253 1 21 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.405 -0.121 18224 7254 1 21 . 1 1 32 32 PRO C C 32 178.663 178.663 178.005 0.658 18224 7255 1 21 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.069 -0.076 18224 7256 1 21 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.293 -0.237 18224 7257 1 21 . 1 1 33 33 ALA N N 33 119.031 119.031 118.767 0.264 18224 7258 1 21 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.118 0.048 18224 7259 1 21 . 1 1 33 33 ALA C C 33 178.942 178.942 179.300 -0.358 18224 7260 1 21 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.402 1.138 18224 7261 1 21 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.147 0.338 18224 7262 1 21 . 1 1 33 33 ALA H H 33 7.580 7.580 8.551 -0.971 18224 7263 1 21 . 1 1 34 34 ILE N N 34 117.923 117.923 117.695 0.228 18224 7264 1 21 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.800 -0.101 18224 7265 1 21 . 1 1 34 34 ILE C C 34 177.833 177.833 177.420 0.413 18224 7266 1 21 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.075 1.037 18224 7267 1 21 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.183 -0.832 18224 7268 1 21 . 1 1 34 34 ILE H H 34 8.234 8.234 7.388 0.846 18224 7269 1 21 . 1 1 35 35 TYR N N 35 118.746 118.746 119.747 -1.001 18224 7270 1 21 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.175 -0.060 18224 7271 1 21 . 1 1 35 35 TYR C C 35 178.044 178.044 178.004 0.040 18224 7272 1 21 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.960 -0.202 18224 7273 1 21 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.595 -0.580 18224 7274 1 21 . 1 1 35 35 TYR H H 35 8.355 8.355 7.571 0.784 18224 7275 1 21 . 1 1 36 36 MET N N 36 117.813 117.813 117.431 0.382 18224 7276 1 21 . 1 1 36 36 MET HA H 36 4.281 4.281 4.367 -0.086 18224 7277 1 21 . 1 1 36 36 MET C C 36 178.139 178.139 178.092 0.047 18224 7278 1 21 . 1 1 36 36 MET CA C 36 58.482 58.482 58.652 -0.170 18224 7279 1 21 . 1 1 36 36 MET CB C 36 31.716 31.716 32.589 -0.873 18224 7280 1 21 . 1 1 36 36 MET H H 36 8.107 8.107 8.430 -0.323 18224 7281 1 21 . 1 1 37 37 LEU N N 37 120.311 120.311 120.813 -0.502 18224 7282 1 21 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.179 -0.104 18224 7283 1 21 . 1 1 37 37 LEU C C 37 178.399 178.399 176.899 1.500 18224 7284 1 21 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.639 0.831 18224 7285 1 21 . 1 1 37 37 LEU CB C 37 41.953 41.953 42.125 -0.172 18224 7286 1 21 . 1 1 37 37 LEU H H 37 8.229 8.229 7.675 0.554 18224 7287 1 21 . 1 1 38 38 VAL N N 38 118.080 118.080 116.256 1.824 18224 7288 1 21 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.092 -0.567 18224 7289 1 21 . 1 1 38 38 VAL C C 38 178.139 178.139 175.587 2.552 18224 7290 1 21 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.408 4.744 18224 7291 1 21 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.173 0.277 18224 7292 1 21 . 1 1 38 38 VAL H H 38 8.363 8.363 7.202 1.161 18224 7293 1 21 . 1 1 39 39 PHE N N 39 120.151 120.151 120.929 -0.778 18224 7294 1 21 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.767 -0.544 18224 7295 1 21 . 1 1 39 39 PHE C C 39 178.544 178.544 175.120 3.424 18224 7296 1 21 . 1 1 39 39 PHE CA C 39 61.326 61.326 59.479 1.847 18224 7297 1 21 . 1 1 39 39 PHE CB C 39 38.916 38.916 42.592 -3.676 18224 7298 1 21 . 1 1 39 39 PHE H H 39 8.306 8.306 8.132 0.174 18224 7299 1 21 . 1 1 40 40 LEU N N 40 121.004 121.004 120.459 0.545 18224 7300 1 21 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.127 -0.104 18224 7301 1 21 . 1 1 40 40 LEU C C 40 179.704 179.704 178.638 1.066 18224 7302 1 21 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.599 0.339 18224 7303 1 21 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.460 0.832 18224 7304 1 21 . 1 1 40 40 LEU H H 40 8.567 8.567 7.698 0.869 18224 7305 1 21 . 1 1 41 41 LEU N N 41 119.593 119.593 118.829 0.764 18224 7306 1 21 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.054 0.007 18224 7307 1 21 . 1 1 41 41 LEU C C 41 178.966 178.966 178.813 0.153 18224 7308 1 21 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.469 1.227 18224 7309 1 21 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.431 0.361 18224 7310 1 21 . 1 1 41 41 LEU H H 41 8.503 8.503 7.934 0.569 18224 7311 1 21 . 1 1 42 42 GLY N N 42 105.838 105.838 105.123 0.715 18224 7312 1 21 . 1 1 42 42 GLY C C 42 175.587 175.587 174.671 0.916 18224 7313 1 21 . 1 1 42 42 GLY CA C 42 46.570 46.570 46.444 0.126 18224 7314 1 21 . 1 1 42 42 GLY H H 42 8.355 8.355 7.630 0.725 18224 7315 1 21 . 1 1 43 43 THR N N 43 112.333 112.333 111.393 0.940 18224 7316 1 21 . 1 1 43 43 THR HA H 43 4.290 4.290 4.500 -0.210 18224 7317 1 21 . 1 1 43 43 THR C C 43 175.765 175.765 173.891 1.874 18224 7318 1 21 . 1 1 43 43 THR CA C 43 63.680 63.680 61.330 2.350 18224 7319 1 21 . 1 1 43 43 THR CB C 43 69.626 69.626 69.719 -0.092 18224 7320 1 21 . 1 1 43 43 THR H H 43 7.895 7.895 7.124 0.771 18224 7321 1 21 . 1 1 44 44 THR N N 44 112.041 112.041 114.655 -2.614 18224 7322 1 21 . 1 1 44 44 THR HA H 44 4.388 4.388 3.946 0.442 18224 7323 1 21 . 1 1 44 44 THR C C 44 175.555 175.555 173.859 1.696 18224 7324 1 21 . 1 1 44 44 THR CA C 44 62.732 62.732 64.967 -2.235 18224 7325 1 21 . 1 1 44 44 THR CB C 44 70.240 70.240 68.245 1.995 18224 7326 1 21 . 1 1 44 44 THR H H 44 7.684 7.684 8.301 -0.617 18224 7327 1 21 . 1 1 45 45 GLY N N 45 109.756 109.756 111.939 -2.183 18224 7328 1 21 . 1 1 45 45 GLY C C 45 174.948 174.948 173.151 1.797 18224 7329 1 21 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.092 1.260 18224 7330 1 21 . 1 1 45 45 GLY H H 45 8.058 8.058 8.308 -0.250 18224 7331 1 21 . 1 1 46 46 ASN N N 46 117.561 117.561 119.544 -1.983 18224 7332 1 21 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.668 0.177 18224 7333 1 21 . 1 1 46 46 ASN C C 46 175.853 175.853 177.284 -1.431 18224 7334 1 21 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.361 1.731 18224 7335 1 21 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.674 0.839 18224 7336 1 21 . 1 1 46 46 ASN H H 46 8.202 8.202 7.542 0.660 18224 7337 1 21 . 1 1 47 47 GLY N N 47 108.715 108.715 107.968 0.747 18224 7338 1 21 . 1 1 47 47 GLY C C 47 174.431 174.431 176.359 -1.928 18224 7339 1 21 . 1 1 47 47 GLY CA C 47 47.161 47.161 47.068 0.093 18224 7340 1 21 . 1 1 47 47 GLY H H 47 8.600 8.600 8.747 -0.147 18224 7341 1 21 . 1 1 48 48 LEU N N 48 120.089 120.089 122.241 -2.152 18224 7342 1 21 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.140 0.179 18224 7343 1 21 . 1 1 48 48 LEU C C 48 179.243 179.243 179.660 -0.417 18224 7344 1 21 . 1 1 48 48 LEU CA C 48 57.316 57.316 57.487 -0.171 18224 7345 1 21 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.396 0.442 18224 7346 1 21 . 1 1 48 48 LEU H H 48 8.003 8.003 7.947 0.056 18224 7347 1 21 . 1 1 49 49 VAL N N 49 120.573 120.573 117.974 2.599 18224 7348 1 21 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.802 0.019 18224 7349 1 21 . 1 1 49 49 VAL C C 49 177.520 177.520 177.836 -0.316 18224 7350 1 21 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.758 0.304 18224 7351 1 21 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.519 -0.031 18224 7352 1 21 . 1 1 49 49 VAL H H 49 7.910 7.910 7.908 0.002 18224 7353 1 21 . 1 1 50 50 LEU N N 50 119.718 119.718 118.356 1.362 18224 7354 1 21 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.447 -0.420 18224 7355 1 21 . 1 1 50 50 LEU C C 50 178.169 178.169 178.522 -0.353 18224 7356 1 21 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.330 1.722 18224 7357 1 21 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.166 0.575 18224 7358 1 21 . 1 1 50 50 LEU H H 50 7.860 7.860 7.278 0.582 18224 7359 1 21 . 1 1 51 51 TRP N N 51 118.071 118.071 122.201 -4.130 18224 7360 1 21 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.591 -0.049 18224 7361 1 21 . 1 1 51 51 TRP C C 51 177.296 177.296 177.165 0.131 18224 7362 1 21 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.014 -0.096 18224 7363 1 21 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.723 1.252 18224 7364 1 21 . 1 1 51 51 TRP H H 51 8.109 8.109 8.572 -0.463 18224 7365 1 21 . 1 1 52 52 THR N N 52 113.243 113.243 114.730 -1.487 18224 7366 1 21 . 1 1 52 52 THR HA H 52 3.773 3.773 3.580 0.193 18224 7367 1 21 . 1 1 52 52 THR C C 52 176.402 176.402 176.162 0.240 18224 7368 1 21 . 1 1 52 52 THR CA C 52 66.690 66.690 65.050 1.639 18224 7369 1 21 . 1 1 52 52 THR CB C 52 68.921 68.921 68.502 0.419 18224 7370 1 21 . 1 1 52 52 THR H H 52 8.072 8.072 7.574 0.498 18224 7371 1 21 . 1 1 53 53 VAL N N 53 120.307 120.307 121.284 -0.977 18224 7372 1 21 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.706 -0.043 18224 7373 1 21 . 1 1 53 53 VAL C C 53 177.362 177.362 177.153 0.209 18224 7374 1 21 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.234 0.058 18224 7375 1 21 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.588 0.129 18224 7376 1 21 . 1 1 53 53 VAL H H 53 8.006 8.006 7.432 0.574 18224 7377 1 21 . 1 1 54 54 PHE N N 54 119.041 119.041 118.874 0.167 18224 7378 1 21 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.143 0.085 18224 7379 1 21 . 1 1 54 54 PHE C C 54 177.476 177.476 175.893 1.583 18224 7380 1 21 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.021 0.871 18224 7381 1 21 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.910 -0.314 18224 7382 1 21 . 1 1 54 54 PHE H H 54 8.143 8.143 7.864 0.279 18224 7383 1 21 . 1 1 55 55 ARG N N 55 117.543 117.543 119.116 -1.573 18224 7384 1 21 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.123 0.740 18224 7385 1 21 . 1 1 55 55 ARG C C 55 177.832 177.832 177.984 -0.152 18224 7386 1 21 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.704 0.002 18224 7387 1 21 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.384 0.092 18224 7388 1 21 . 1 1 55 55 ARG H H 55 8.112 8.112 7.213 0.899 18224 7389 1 21 . 1 1 56 56 LYS N N 56 118.390 118.390 119.314 -0.924 18224 7390 1 21 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.883 0.280 18224 7391 1 21 . 1 1 56 56 LYS C C 56 177.400 177.400 178.962 -1.562 18224 7392 1 21 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.608 -0.898 18224 7393 1 21 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.997 0.782 18224 7394 1 21 . 1 1 56 56 LYS H H 56 7.789 7.789 7.413 0.376 18224 7395 1 21 . 1 1 57 57 LYS N N 57 118.190 118.190 121.256 -3.066 18224 7396 1 21 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.078 0.181 18224 7397 1 21 . 1 1 57 57 LYS C C 57 176.791 176.791 175.175 1.616 18224 7398 1 21 . 1 1 57 57 LYS CA C 57 56.425 56.425 54.717 1.708 18224 7399 1 21 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.055 1.768 18224 7400 1 21 . 1 1 57 57 LYS H H 57 7.821 7.821 7.655 0.166 18224 7401 1 21 . 1 1 58 58 GLY N N 58 107.289 107.289 108.559 -1.270 18224 7402 1 21 . 1 1 58 58 GLY C C 58 173.607 173.607 174.756 -1.149 18224 7403 1 21 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.650 0.824 18224 7404 1 21 . 1 1 58 58 GLY H H 58 7.927 7.927 7.269 0.658 18224 7405 1 21 . 1 1 59 59 HIS N N 59 116.847 116.847 124.415 -7.568 18224 7406 1 21 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.266 0.427 18224 7407 1 21 . 1 1 59 59 HIS C C 59 174.153 174.153 176.107 -1.954 18224 7408 1 21 . 1 1 59 59 HIS CA C 59 55.158 55.158 58.923 -3.765 18224 7409 1 21 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.833 -0.918 18224 7410 1 21 . 1 1 59 59 HIS H H 59 8.120 8.120 7.178 0.942 18224 7411 1 21 . 1 1 60 60 HIS N N 60 118.028 118.028 116.718 1.310 18224 7412 1 21 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.260 0.432 18224 7413 1 21 . 1 1 60 60 HIS C C 60 173.987 173.987 176.445 -2.458 18224 7414 1 21 . 1 1 60 60 HIS CA C 60 55.508 55.508 58.317 -2.809 18224 7415 1 21 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.970 -1.145 18224 7416 1 21 . 1 1 60 60 HIS H H 60 8.328 8.328 8.039 0.289 18224 7417 1 21 . 1 1 61 61 HIS N N 61 118.101 118.101 117.144 0.957 18224 7418 1 21 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.304 0.386 18224 7419 1 21 . 1 1 61 61 HIS C C 61 174.032 174.032 175.475 -1.443 18224 7420 1 21 . 1 1 61 61 HIS CA C 61 55.718 55.718 57.760 -2.042 18224 7421 1 21 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.410 -1.515 18224 7422 1 21 . 1 1 61 61 HIS H H 61 8.351 8.351 7.891 0.460 18224 7423 1 21 . 1 1 62 62 HIS N N 62 118.704 118.704 119.061 -0.357 18224 7424 1 21 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.399 0.302 18224 7425 1 21 . 1 1 62 62 HIS C C 62 173.803 173.803 175.247 -1.444 18224 7426 1 21 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.809 -1.205 18224 7427 1 21 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.572 -0.409 18224 7428 1 21 . 1 1 62 62 HIS H H 62 8.381 8.381 7.719 0.662 18224 7429 1 21 . 1 1 63 63 HIS N N 63 118.853 118.853 123.739 -4.886 18224 7430 1 21 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.507 0.174 18224 7431 1 21 . 1 1 63 63 HIS C C 63 173.576 173.576 175.528 -1.952 18224 7432 1 21 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.751 -1.053 18224 7433 1 21 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.889 -1.756 18224 7434 1 21 . 1 1 63 63 HIS H H 63 8.299 8.299 8.130 0.169 18224 7435 1 22 . 1 1 2 2 GLU N N 2 122.762 122.762 120.709 2.053 18224 7436 1 22 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.028 0.410 18224 7437 1 22 . 1 1 2 2 GLU C C 2 175.581 175.581 175.631 -0.050 18224 7438 1 22 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.084 -0.724 18224 7439 1 22 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.105 0.477 18224 7440 1 22 . 1 1 2 2 GLU H H 2 8.628 8.628 8.540 0.088 18224 7441 1 22 . 1 1 3 3 GLU N N 3 121.071 121.071 119.913 1.158 18224 7442 1 22 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.406 -0.025 18224 7443 1 22 . 1 1 3 3 GLU C C 3 176.457 176.457 176.995 -0.538 18224 7444 1 22 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.368 -0.020 18224 7445 1 22 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.775 0.424 18224 7446 1 22 . 1 1 3 3 GLU H H 3 8.393 8.393 8.425 -0.032 18224 7447 1 22 . 1 1 4 4 GLY N N 4 109.717 109.717 107.709 2.008 18224 7448 1 22 . 1 1 4 4 GLY C C 4 174.677 174.677 174.772 -0.095 18224 7449 1 22 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.553 1.088 18224 7450 1 22 . 1 1 4 4 GLY H H 4 8.377 8.377 7.697 0.680 18224 7451 1 22 . 1 1 5 5 GLY N N 5 108.373 108.373 107.010 1.363 18224 7452 1 22 . 1 1 5 5 GLY C C 5 174.047 174.047 173.987 0.060 18224 7453 1 22 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.295 1.277 18224 7454 1 22 . 1 1 5 5 GLY H H 5 8.115 8.115 7.676 0.439 18224 7455 1 22 . 1 1 6 6 ASP N N 6 118.996 118.996 118.981 0.015 18224 7456 1 22 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.494 0.155 18224 7457 1 22 . 1 1 6 6 ASP C C 6 175.903 175.903 175.938 -0.035 18224 7458 1 22 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.997 0.048 18224 7459 1 22 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.769 -2.425 18224 7460 1 22 . 1 1 6 6 ASP H H 6 8.166 8.166 8.223 -0.057 18224 7461 1 22 . 1 1 7 7 PHE N N 7 119.750 119.750 122.096 -2.346 18224 7462 1 22 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.507 0.043 18224 7463 1 22 . 1 1 7 7 PHE C C 7 175.919 175.919 175.599 0.320 18224 7464 1 22 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.448 1.484 18224 7465 1 22 . 1 1 7 7 PHE CB C 7 39.180 39.180 37.988 1.192 18224 7466 1 22 . 1 1 7 7 PHE H H 7 8.151 8.151 8.356 -0.205 18224 7467 1 22 . 1 1 8 8 ASP N N 8 118.526 118.526 117.406 1.120 18224 7468 1 22 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.220 0.278 18224 7469 1 22 . 1 1 8 8 ASP C C 8 175.787 175.787 175.795 -0.008 18224 7470 1 22 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.272 -0.637 18224 7471 1 22 . 1 1 8 8 ASP CB C 8 39.203 39.203 38.610 0.593 18224 7472 1 22 . 1 1 8 8 ASP H H 8 8.161 8.161 8.586 -0.425 18224 7473 1 22 . 1 1 9 9 ASN N N 9 117.291 117.291 116.141 1.150 18224 7474 1 22 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.841 -0.270 18224 7475 1 22 . 1 1 9 9 ASN C C 9 175.142 175.142 174.919 0.223 18224 7476 1 22 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.742 1.192 18224 7477 1 22 . 1 1 9 9 ASN CB C 9 38.792 38.792 40.248 -1.456 18224 7478 1 22 . 1 1 9 9 ASN H H 9 8.013 8.013 8.089 -0.076 18224 7479 1 22 . 1 1 10 10 TYR N N 10 119.112 119.112 124.413 -5.301 18224 7480 1 22 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.356 0.090 18224 7481 1 22 . 1 1 10 10 TYR C C 10 175.513 175.513 174.992 0.521 18224 7482 1 22 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.443 1.531 18224 7483 1 22 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.013 1.870 18224 7484 1 22 . 1 1 10 10 TYR H H 10 7.848 7.848 8.561 -0.713 18224 7485 1 22 . 1 1 11 11 TYR N N 11 119.438 119.438 119.324 0.114 18224 7486 1 22 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.379 0.128 18224 7487 1 22 . 1 1 11 11 TYR C C 11 175.939 175.939 176.034 -0.095 18224 7488 1 22 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.898 0.399 18224 7489 1 22 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.780 0.187 18224 7490 1 22 . 1 1 11 11 TYR H H 11 7.849 7.849 8.095 -0.246 18224 7491 1 22 . 1 1 12 12 GLY N N 12 109.685 109.685 111.709 -2.024 18224 7492 1 22 . 1 1 12 12 GLY C C 12 174.099 174.099 173.265 0.834 18224 7493 1 22 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.706 0.839 18224 7494 1 22 . 1 1 12 12 GLY H H 12 7.792 7.792 8.417 -0.625 18224 7495 1 22 . 1 1 13 13 ALA N N 13 123.072 123.072 124.487 -1.415 18224 7496 1 22 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.638 -0.363 18224 7497 1 22 . 1 1 13 13 ALA C C 13 177.669 177.669 177.144 0.525 18224 7498 1 22 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.388 1.582 18224 7499 1 22 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.219 1.071 18224 7500 1 22 . 1 1 13 13 ALA H H 13 7.880 7.880 8.085 -0.205 18224 7501 1 22 . 1 1 14 14 ASP N N 14 117.540 117.540 124.071 -6.531 18224 7502 1 22 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.523 0.126 18224 7503 1 22 . 1 1 14 14 ASP C C 14 175.649 175.649 175.713 -0.064 18224 7504 1 22 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.735 -0.771 18224 7505 1 22 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.022 0.661 18224 7506 1 22 . 1 1 14 14 ASP H H 14 8.281 8.281 8.251 0.030 18224 7507 1 22 . 1 1 15 15 ASN N N 15 118.400 118.400 117.711 0.689 18224 7508 1 22 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.738 -0.052 18224 7509 1 22 . 1 1 15 15 ASN C C 15 175.351 175.351 174.836 0.515 18224 7510 1 22 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.768 -0.160 18224 7511 1 22 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.434 -0.492 18224 7512 1 22 . 1 1 15 15 ASN H H 15 8.137 8.137 8.223 -0.086 18224 7513 1 22 . 1 1 16 16 GLN N N 16 120.072 120.072 119.482 0.590 18224 7514 1 22 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.522 -0.162 18224 7515 1 22 . 1 1 16 16 GLN C C 16 176.206 176.206 175.701 0.505 18224 7516 1 22 . 1 1 16 16 GLN CA C 16 56.402 56.402 54.302 2.100 18224 7517 1 22 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.385 2.784 18224 7518 1 22 . 1 1 16 16 GLN H H 16 8.284 8.284 8.418 -0.134 18224 7519 1 22 . 1 1 17 17 SER N N 17 116.112 116.112 117.149 -1.037 18224 7520 1 22 . 1 1 17 17 SER HA H 17 4.440 4.440 4.355 0.085 18224 7521 1 22 . 1 1 17 17 SER C C 17 174.568 174.568 175.312 -0.744 18224 7522 1 22 . 1 1 17 17 SER CA C 17 58.911 58.911 58.131 0.780 18224 7523 1 22 . 1 1 17 17 SER CB C 17 63.897 63.897 64.095 -0.198 18224 7524 1 22 . 1 1 17 17 SER H H 17 8.211 8.211 7.877 0.334 18224 7525 1 22 . 1 1 18 18 GLU N N 18 121.378 121.378 123.269 -1.891 18224 7526 1 22 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.292 0.087 18224 7527 1 22 . 1 1 18 18 GLU C C 18 175.934 175.934 176.404 -0.470 18224 7528 1 22 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.840 0.566 18224 7529 1 22 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.100 1.033 18224 7530 1 22 . 1 1 18 18 GLU H H 18 8.262 8.262 8.960 -0.698 18224 7531 1 22 . 1 1 19 19 CYS N N 19 119.418 119.418 119.650 -0.232 18224 7532 1 22 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.108 0.336 18224 7533 1 22 . 1 1 19 19 CYS C C 19 174.568 174.568 174.192 0.376 18224 7534 1 22 . 1 1 19 19 CYS CA C 19 58.839 58.839 60.529 -1.690 18224 7535 1 22 . 1 1 19 19 CYS CB C 19 27.973 27.973 26.416 1.558 18224 7536 1 22 . 1 1 19 19 CYS H H 19 8.182 8.182 8.466 -0.284 18224 7537 1 22 . 1 1 20 20 GLU N N 20 122.737 122.737 113.715 9.022 18224 7538 1 22 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.859 0.448 18224 7539 1 22 . 1 1 20 20 GLU C C 20 176.083 176.083 176.224 -0.141 18224 7540 1 22 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.444 -1.904 18224 7541 1 22 . 1 1 20 20 GLU CB C 20 28.866 28.866 27.441 1.425 18224 7542 1 22 . 1 1 20 20 GLU H H 20 8.303 8.303 8.024 0.279 18224 7543 1 22 . 1 1 21 21 TYR N N 21 119.549 119.549 117.592 1.957 18224 7544 1 22 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.196 0.278 18224 7545 1 22 . 1 1 21 21 TYR C C 21 175.826 175.826 175.124 0.702 18224 7546 1 22 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.760 -1.089 18224 7547 1 22 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.253 0.336 18224 7548 1 22 . 1 1 21 21 TYR H H 21 7.888 7.888 8.201 -0.313 18224 7549 1 22 . 1 1 22 22 THR N N 22 112.218 112.218 113.515 -1.297 18224 7550 1 22 . 1 1 22 22 THR HA H 22 4.163 4.163 4.158 0.005 18224 7551 1 22 . 1 1 22 22 THR C C 22 174.737 174.737 175.639 -0.902 18224 7552 1 22 . 1 1 22 22 THR CA C 22 62.778 62.778 65.610 -2.832 18224 7553 1 22 . 1 1 22 22 THR CB C 22 69.531 69.531 69.253 0.278 18224 7554 1 22 . 1 1 22 22 THR H H 22 7.683 7.683 7.708 -0.025 18224 7555 1 22 . 1 1 23 23 ASP N N 23 121.090 121.090 122.366 -1.276 18224 7556 1 22 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.539 0.172 18224 7557 1 22 . 1 1 23 23 ASP C C 23 176.279 176.279 177.362 -1.083 18224 7558 1 22 . 1 1 23 23 ASP CA C 23 54.110 54.110 55.917 -1.807 18224 7559 1 22 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.332 -0.994 18224 7560 1 22 . 1 1 23 23 ASP H H 23 8.059 8.059 7.973 0.086 18224 7561 1 22 . 1 1 24 24 TRP N N 24 121.546 121.546 118.893 2.653 18224 7562 1 22 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.286 0.200 18224 7563 1 22 . 1 1 24 24 TRP C C 24 177.051 177.051 175.348 1.703 18224 7564 1 22 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.964 0.864 18224 7565 1 22 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.018 1.050 18224 7566 1 22 . 1 1 24 24 TRP H H 24 7.888 7.888 7.665 0.223 18224 7567 1 22 . 1 1 25 25 LYS N N 25 120.106 120.106 117.972 2.134 18224 7568 1 22 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.094 -0.104 18224 7569 1 22 . 1 1 25 25 LYS C C 25 176.764 176.764 175.718 1.046 18224 7570 1 22 . 1 1 25 25 LYS CA C 25 57.722 57.722 55.367 2.355 18224 7571 1 22 . 1 1 25 25 LYS CB C 25 32.301 32.301 33.406 -1.105 18224 7572 1 22 . 1 1 25 25 LYS H H 25 7.620 7.620 7.450 0.170 18224 7573 1 22 . 1 1 26 26 SER N N 26 114.114 114.114 113.835 0.279 18224 7574 1 22 . 1 1 26 26 SER HA H 26 4.471 4.471 4.255 0.216 18224 7575 1 22 . 1 1 26 26 SER C C 26 175.124 175.124 173.729 1.395 18224 7576 1 22 . 1 1 26 26 SER CA C 26 58.757 58.757 59.294 -0.537 18224 7577 1 22 . 1 1 26 26 SER CB C 26 63.812 63.812 62.704 1.108 18224 7578 1 22 . 1 1 26 26 SER H H 26 7.796 7.796 8.591 -0.795 18224 7579 1 22 . 1 1 27 27 SER N N 27 116.655 116.655 113.215 3.440 18224 7580 1 22 . 1 1 27 27 SER HA H 27 4.386 4.386 4.546 -0.160 18224 7581 1 22 . 1 1 27 27 SER C C 27 175.505 175.505 174.376 1.129 18224 7582 1 22 . 1 1 27 27 SER CA C 27 59.611 59.611 58.570 1.041 18224 7583 1 22 . 1 1 27 27 SER CB C 27 64.117 64.117 64.932 -0.815 18224 7584 1 22 . 1 1 27 27 SER H H 27 8.046 8.046 8.016 0.030 18224 7585 1 22 . 1 1 28 28 GLY N N 28 111.049 111.049 109.694 1.355 18224 7586 1 22 . 1 1 28 28 GLY C C 28 174.495 174.495 173.822 0.673 18224 7587 1 22 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.309 0.812 18224 7588 1 22 . 1 1 28 28 GLY H H 28 8.304 8.304 8.175 0.129 18224 7589 1 22 . 1 1 29 29 ALA N N 29 121.693 121.693 119.528 2.165 18224 7590 1 22 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.913 0.436 18224 7591 1 22 . 1 1 29 29 ALA C C 29 177.695 177.695 176.883 0.812 18224 7592 1 22 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.531 0.580 18224 7593 1 22 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.550 1.414 18224 7594 1 22 . 1 1 29 29 ALA H H 29 7.941 7.941 7.744 0.197 18224 7595 1 22 . 1 1 30 30 LEU N N 30 117.996 117.996 125.619 -7.623 18224 7596 1 22 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.072 0.110 18224 7597 1 22 . 1 1 30 30 LEU C C 30 177.484 177.484 178.704 -1.220 18224 7598 1 22 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.520 1.450 18224 7599 1 22 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.007 0.415 18224 7600 1 22 . 1 1 30 30 LEU H H 30 7.968 7.968 8.157 -0.189 18224 7601 1 22 . 1 1 31 31 ILE N N 31 117.106 117.106 117.928 -0.822 18224 7602 1 22 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.248 -0.309 18224 7603 1 22 . 1 1 31 31 ILE C C 31 174.998 174.998 175.435 -0.437 18224 7604 1 22 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.171 1.751 18224 7605 1 22 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.478 -0.370 18224 7606 1 22 . 1 1 31 31 ILE H H 31 8.027 8.027 8.108 -0.081 18224 7607 1 22 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.304 -0.020 18224 7608 1 22 . 1 1 32 32 PRO C C 32 178.663 178.663 177.714 0.949 18224 7609 1 22 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.350 0.643 18224 7610 1 22 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.707 0.349 18224 7611 1 22 . 1 1 33 33 ALA N N 33 119.031 119.031 119.373 -0.342 18224 7612 1 22 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.117 0.049 18224 7613 1 22 . 1 1 33 33 ALA C C 33 178.942 178.942 179.193 -0.251 18224 7614 1 22 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.708 0.832 18224 7615 1 22 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.613 -0.128 18224 7616 1 22 . 1 1 33 33 ALA H H 33 7.580 7.580 7.621 -0.041 18224 7617 1 22 . 1 1 34 34 ILE N N 34 117.923 117.923 117.586 0.337 18224 7618 1 22 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.882 -0.183 18224 7619 1 22 . 1 1 34 34 ILE C C 34 177.833 177.833 177.030 0.803 18224 7620 1 22 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.802 1.310 18224 7621 1 22 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.223 -0.872 18224 7622 1 22 . 1 1 34 34 ILE H H 34 8.234 8.234 7.756 0.478 18224 7623 1 22 . 1 1 35 35 TYR N N 35 118.746 118.746 120.191 -1.445 18224 7624 1 22 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.298 -0.183 18224 7625 1 22 . 1 1 35 35 TYR C C 35 178.044 178.044 177.065 0.979 18224 7626 1 22 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.989 -0.230 18224 7627 1 22 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.002 -0.987 18224 7628 1 22 . 1 1 35 35 TYR H H 35 8.355 8.355 7.617 0.738 18224 7629 1 22 . 1 1 36 36 MET N N 36 117.813 117.813 117.862 -0.049 18224 7630 1 22 . 1 1 36 36 MET HA H 36 4.281 4.281 4.561 -0.280 18224 7631 1 22 . 1 1 36 36 MET C C 36 178.139 178.139 178.200 -0.061 18224 7632 1 22 . 1 1 36 36 MET CA C 36 58.482 58.482 58.638 -0.156 18224 7633 1 22 . 1 1 36 36 MET CB C 36 31.716 31.716 33.292 -1.576 18224 7634 1 22 . 1 1 36 36 MET H H 36 8.107 8.107 7.896 0.211 18224 7635 1 22 . 1 1 37 37 LEU N N 37 120.311 120.311 120.908 -0.597 18224 7636 1 22 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.150 -0.075 18224 7637 1 22 . 1 1 37 37 LEU C C 37 178.399 178.399 177.233 1.166 18224 7638 1 22 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.681 0.789 18224 7639 1 22 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.810 0.142 18224 7640 1 22 . 1 1 37 37 LEU H H 37 8.229 8.229 7.888 0.341 18224 7641 1 22 . 1 1 38 38 VAL N N 38 118.080 118.080 116.642 1.438 18224 7642 1 22 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.042 -0.517 18224 7643 1 22 . 1 1 38 38 VAL C C 38 178.139 178.139 176.101 2.038 18224 7644 1 22 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.252 3.900 18224 7645 1 22 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.953 -1.503 18224 7646 1 22 . 1 1 38 38 VAL H H 38 8.363 8.363 7.382 0.981 18224 7647 1 22 . 1 1 39 39 PHE N N 39 120.151 120.151 120.153 -0.002 18224 7648 1 22 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.658 -0.435 18224 7649 1 22 . 1 1 39 39 PHE C C 39 178.544 178.544 175.655 2.889 18224 7650 1 22 . 1 1 39 39 PHE CA C 39 61.326 61.326 59.617 1.709 18224 7651 1 22 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.621 -2.705 18224 7652 1 22 . 1 1 39 39 PHE H H 39 8.306 8.306 8.196 0.110 18224 7653 1 22 . 1 1 40 40 LEU N N 40 121.004 121.004 116.582 4.422 18224 7654 1 22 . 1 1 40 40 LEU HA H 40 4.023 4.023 3.977 0.046 18224 7655 1 22 . 1 1 40 40 LEU C C 40 179.704 179.704 176.589 3.115 18224 7656 1 22 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.264 2.674 18224 7657 1 22 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.708 0.584 18224 7658 1 22 . 1 1 40 40 LEU H H 40 8.567 8.567 7.702 0.865 18224 7659 1 22 . 1 1 41 41 LEU N N 41 119.593 119.593 117.610 1.983 18224 7660 1 22 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.412 -0.351 18224 7661 1 22 . 1 1 41 41 LEU C C 41 178.966 178.966 176.587 2.379 18224 7662 1 22 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.662 2.034 18224 7663 1 22 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.021 -0.229 18224 7664 1 22 . 1 1 41 41 LEU H H 41 8.503 8.503 7.708 0.795 18224 7665 1 22 . 1 1 42 42 GLY N N 42 105.838 105.838 106.041 -0.203 18224 7666 1 22 . 1 1 42 42 GLY C C 42 175.587 175.587 174.415 1.172 18224 7667 1 22 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.588 1.982 18224 7668 1 22 . 1 1 42 42 GLY H H 42 8.355 8.355 7.953 0.402 18224 7669 1 22 . 1 1 43 43 THR N N 43 112.333 112.333 114.266 -1.933 18224 7670 1 22 . 1 1 43 43 THR HA H 43 4.290 4.290 4.413 -0.123 18224 7671 1 22 . 1 1 43 43 THR C C 43 175.765 175.765 174.953 0.812 18224 7672 1 22 . 1 1 43 43 THR CA C 43 63.680 63.680 61.514 2.166 18224 7673 1 22 . 1 1 43 43 THR CB C 43 69.626 69.626 70.013 -0.387 18224 7674 1 22 . 1 1 43 43 THR H H 43 7.895 7.895 7.471 0.424 18224 7675 1 22 . 1 1 44 44 THR N N 44 112.041 112.041 114.322 -2.281 18224 7676 1 22 . 1 1 44 44 THR HA H 44 4.388 4.388 3.898 0.490 18224 7677 1 22 . 1 1 44 44 THR C C 44 175.555 175.555 174.150 1.405 18224 7678 1 22 . 1 1 44 44 THR CA C 44 62.732 62.732 64.304 -1.572 18224 7679 1 22 . 1 1 44 44 THR CB C 44 70.240 70.240 68.657 1.583 18224 7680 1 22 . 1 1 44 44 THR H H 44 7.684 7.684 8.330 -0.646 18224 7681 1 22 . 1 1 45 45 GLY N N 45 109.756 109.756 107.071 2.685 18224 7682 1 22 . 1 1 45 45 GLY C C 45 174.948 174.948 172.770 2.178 18224 7683 1 22 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.252 1.100 18224 7684 1 22 . 1 1 45 45 GLY H H 45 8.058 8.058 8.169 -0.111 18224 7685 1 22 . 1 1 46 46 ASN N N 46 117.561 117.561 118.997 -1.436 18224 7686 1 22 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.475 0.370 18224 7687 1 22 . 1 1 46 46 ASN C C 46 175.853 175.853 174.879 0.974 18224 7688 1 22 . 1 1 46 46 ASN CA C 46 54.092 54.092 54.069 0.023 18224 7689 1 22 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.213 1.300 18224 7690 1 22 . 1 1 46 46 ASN H H 46 8.202 8.202 8.420 -0.218 18224 7691 1 22 . 1 1 47 47 GLY N N 47 108.715 108.715 107.266 1.449 18224 7692 1 22 . 1 1 47 47 GLY C C 47 174.431 174.431 173.733 0.698 18224 7693 1 22 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.371 1.790 18224 7694 1 22 . 1 1 47 47 GLY H H 47 8.600 8.600 8.240 0.360 18224 7695 1 22 . 1 1 48 48 LEU N N 48 120.089 120.089 121.724 -1.635 18224 7696 1 22 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.628 -0.309 18224 7697 1 22 . 1 1 48 48 LEU C C 48 179.243 179.243 177.933 1.310 18224 7698 1 22 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.259 2.057 18224 7699 1 22 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.778 0.060 18224 7700 1 22 . 1 1 48 48 LEU H H 48 8.003 8.003 8.100 -0.097 18224 7701 1 22 . 1 1 49 49 VAL N N 49 120.573 120.573 120.175 0.398 18224 7702 1 22 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.056 -0.235 18224 7703 1 22 . 1 1 49 49 VAL C C 49 177.520 177.520 178.015 -0.495 18224 7704 1 22 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.208 -0.146 18224 7705 1 22 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.200 0.288 18224 7706 1 22 . 1 1 49 49 VAL H H 49 7.910 7.910 7.835 0.075 18224 7707 1 22 . 1 1 50 50 LEU N N 50 119.718 119.718 118.198 1.520 18224 7708 1 22 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.284 -0.257 18224 7709 1 22 . 1 1 50 50 LEU C C 50 178.169 178.169 178.755 -0.586 18224 7710 1 22 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.642 0.410 18224 7711 1 22 . 1 1 50 50 LEU CB C 50 41.741 41.741 39.639 2.102 18224 7712 1 22 . 1 1 50 50 LEU H H 50 7.860 7.860 8.251 -0.391 18224 7713 1 22 . 1 1 51 51 TRP N N 51 118.071 118.071 120.346 -2.275 18224 7714 1 22 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.510 0.032 18224 7715 1 22 . 1 1 51 51 TRP C C 51 177.296 177.296 177.872 -0.576 18224 7716 1 22 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.662 0.256 18224 7717 1 22 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.726 1.249 18224 7718 1 22 . 1 1 51 51 TRP H H 51 8.109 8.109 8.141 -0.032 18224 7719 1 22 . 1 1 52 52 THR N N 52 113.243 113.243 115.345 -2.102 18224 7720 1 22 . 1 1 52 52 THR HA H 52 3.773 3.773 3.567 0.206 18224 7721 1 22 . 1 1 52 52 THR C C 52 176.402 176.402 176.260 0.142 18224 7722 1 22 . 1 1 52 52 THR CA C 52 66.690 66.690 66.195 0.495 18224 7723 1 22 . 1 1 52 52 THR CB C 52 68.921 68.921 68.651 0.270 18224 7724 1 22 . 1 1 52 52 THR H H 52 8.072 8.072 8.352 -0.280 18224 7725 1 22 . 1 1 53 53 VAL N N 53 120.307 120.307 121.988 -1.681 18224 7726 1 22 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.723 -0.060 18224 7727 1 22 . 1 1 53 53 VAL C C 53 177.362 177.362 177.216 0.146 18224 7728 1 22 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.287 0.005 18224 7729 1 22 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.486 0.231 18224 7730 1 22 . 1 1 53 53 VAL H H 53 8.006 8.006 7.305 0.701 18224 7731 1 22 . 1 1 54 54 PHE N N 54 119.041 119.041 117.344 1.697 18224 7732 1 22 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.148 0.080 18224 7733 1 22 . 1 1 54 54 PHE C C 54 177.476 177.476 176.642 0.834 18224 7734 1 22 . 1 1 54 54 PHE CA C 54 60.892 60.892 61.219 -0.327 18224 7735 1 22 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.739 -0.143 18224 7736 1 22 . 1 1 54 54 PHE H H 54 8.143 8.143 7.759 0.384 18224 7737 1 22 . 1 1 55 55 ARG N N 55 117.543 117.543 117.529 0.014 18224 7738 1 22 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.123 -0.260 18224 7739 1 22 . 1 1 55 55 ARG C C 55 177.832 177.832 178.192 -0.360 18224 7740 1 22 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.686 0.020 18224 7741 1 22 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.135 -0.659 18224 7742 1 22 . 1 1 55 55 ARG H H 55 8.112 8.112 7.338 0.774 18224 7743 1 22 . 1 1 56 56 LYS N N 56 118.390 118.390 119.690 -1.300 18224 7744 1 22 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.106 0.057 18224 7745 1 22 . 1 1 56 56 LYS C C 56 177.400 177.400 179.261 -1.861 18224 7746 1 22 . 1 1 56 56 LYS CA C 56 57.710 57.710 59.123 -1.413 18224 7747 1 22 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.379 0.400 18224 7748 1 22 . 1 1 56 56 LYS H H 56 7.789 7.789 7.750 0.039 18224 7749 1 22 . 1 1 57 57 LYS N N 57 118.190 118.190 118.340 -0.150 18224 7750 1 22 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.264 -0.005 18224 7751 1 22 . 1 1 57 57 LYS C C 57 176.791 176.791 176.800 -0.009 18224 7752 1 22 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.552 0.873 18224 7753 1 22 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.009 2.814 18224 7754 1 22 . 1 1 57 57 LYS H H 57 7.821 7.821 7.846 -0.025 18224 7755 1 22 . 1 1 58 58 GLY N N 58 107.289 107.289 107.608 -0.319 18224 7756 1 22 . 1 1 58 58 GLY C C 58 173.607 173.607 175.121 -1.514 18224 7757 1 22 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.681 -0.207 18224 7758 1 22 . 1 1 58 58 GLY H H 58 7.927 7.927 8.281 -0.354 18224 7759 1 22 . 1 1 59 59 HIS N N 59 116.847 116.847 119.563 -2.716 18224 7760 1 22 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.841 -0.148 18224 7761 1 22 . 1 1 59 59 HIS C C 59 174.153 174.153 175.234 -1.081 18224 7762 1 22 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.279 -1.121 18224 7763 1 22 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.206 -2.291 18224 7764 1 22 . 1 1 59 59 HIS H H 59 8.120 8.120 8.654 -0.534 18224 7765 1 22 . 1 1 60 60 HIS N N 60 118.028 118.028 116.848 1.180 18224 7766 1 22 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.934 -0.242 18224 7767 1 22 . 1 1 60 60 HIS C C 60 173.987 173.987 174.660 -0.673 18224 7768 1 22 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.642 -0.134 18224 7769 1 22 . 1 1 60 60 HIS CB C 60 28.825 28.825 32.075 -3.250 18224 7770 1 22 . 1 1 60 60 HIS H H 60 8.328 8.328 8.353 -0.025 18224 7771 1 22 . 1 1 61 61 HIS N N 61 118.101 118.101 120.882 -2.781 18224 7772 1 22 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.808 -0.118 18224 7773 1 22 . 1 1 61 61 HIS C C 61 174.032 174.032 174.980 -0.948 18224 7774 1 22 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.620 0.098 18224 7775 1 22 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.663 -1.768 18224 7776 1 22 . 1 1 61 61 HIS H H 61 8.351 8.351 8.569 -0.218 18224 7777 1 22 . 1 1 62 62 HIS N N 62 118.704 118.704 124.921 -6.217 18224 7778 1 22 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.506 0.195 18224 7779 1 22 . 1 1 62 62 HIS C C 62 173.803 173.803 174.618 -0.815 18224 7780 1 22 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.360 -1.756 18224 7781 1 22 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.070 0.093 18224 7782 1 22 . 1 1 62 62 HIS H H 62 8.381 8.381 8.719 -0.338 18224 7783 1 22 . 1 1 63 63 HIS N N 63 118.853 118.853 125.382 -6.529 18224 7784 1 22 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.556 0.125 18224 7785 1 22 . 1 1 63 63 HIS C C 63 173.576 173.576 173.820 -0.244 18224 7786 1 22 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.796 -0.098 18224 7787 1 22 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.212 -1.079 18224 7788 1 22 . 1 1 63 63 HIS H H 63 8.299 8.299 8.758 -0.459 18224 7789 1 23 . 1 1 2 2 GLU N N 2 122.762 122.762 121.924 0.838 18224 7790 1 23 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.468 -0.030 18224 7791 1 23 . 1 1 2 2 GLU C C 2 175.581 175.581 175.407 0.174 18224 7792 1 23 . 1 1 2 2 GLU CA C 2 56.360 56.360 55.967 0.393 18224 7793 1 23 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.834 -1.252 18224 7794 1 23 . 1 1 2 2 GLU H H 2 8.628 8.628 8.000 0.628 18224 7795 1 23 . 1 1 3 3 GLU N N 3 121.071 121.071 121.545 -0.474 18224 7796 1 23 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.207 0.174 18224 7797 1 23 . 1 1 3 3 GLU C C 3 176.457 176.457 175.640 0.817 18224 7798 1 23 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.434 -0.086 18224 7799 1 23 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.681 -0.482 18224 7800 1 23 . 1 1 3 3 GLU H H 3 8.393 8.393 8.920 -0.527 18224 7801 1 23 . 1 1 4 4 GLY N N 4 109.717 109.717 110.984 -1.267 18224 7802 1 23 . 1 1 4 4 GLY C C 4 174.677 174.677 174.562 0.115 18224 7803 1 23 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.899 0.742 18224 7804 1 23 . 1 1 4 4 GLY H H 4 8.377 8.377 8.580 -0.203 18224 7805 1 23 . 1 1 5 5 GLY N N 5 108.373 108.373 109.957 -1.584 18224 7806 1 23 . 1 1 5 5 GLY C C 5 174.047 174.047 173.181 0.866 18224 7807 1 23 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.400 0.172 18224 7808 1 23 . 1 1 5 5 GLY H H 5 8.115 8.115 8.022 0.093 18224 7809 1 23 . 1 1 6 6 ASP N N 6 118.996 118.996 119.643 -0.647 18224 7810 1 23 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.587 0.062 18224 7811 1 23 . 1 1 6 6 ASP C C 6 175.903 175.903 174.044 1.859 18224 7812 1 23 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.051 0.994 18224 7813 1 23 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.255 -2.911 18224 7814 1 23 . 1 1 6 6 ASP H H 6 8.166 8.166 7.599 0.567 18224 7815 1 23 . 1 1 7 7 PHE N N 7 119.750 119.750 120.393 -0.643 18224 7816 1 23 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.614 -0.064 18224 7817 1 23 . 1 1 7 7 PHE C C 7 175.919 175.919 173.841 2.078 18224 7818 1 23 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.714 1.218 18224 7819 1 23 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.426 -1.246 18224 7820 1 23 . 1 1 7 7 PHE H H 7 8.151 8.151 8.076 0.075 18224 7821 1 23 . 1 1 8 8 ASP N N 8 118.526 118.526 120.487 -1.961 18224 7822 1 23 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.681 -0.183 18224 7823 1 23 . 1 1 8 8 ASP C C 8 175.787 175.787 175.105 0.682 18224 7824 1 23 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.294 0.341 18224 7825 1 23 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.515 -2.312 18224 7826 1 23 . 1 1 8 8 ASP H H 8 8.161 8.161 7.950 0.211 18224 7827 1 23 . 1 1 9 9 ASN N N 9 117.291 117.291 118.621 -1.330 18224 7828 1 23 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.834 -0.263 18224 7829 1 23 . 1 1 9 9 ASN C C 9 175.142 175.142 174.123 1.019 18224 7830 1 23 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.470 1.464 18224 7831 1 23 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.693 0.099 18224 7832 1 23 . 1 1 9 9 ASN H H 9 8.013 8.013 7.961 0.052 18224 7833 1 23 . 1 1 10 10 TYR N N 10 119.112 119.112 121.008 -1.896 18224 7834 1 23 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.272 0.174 18224 7835 1 23 . 1 1 10 10 TYR C C 10 175.513 175.513 175.410 0.103 18224 7836 1 23 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.252 0.722 18224 7837 1 23 . 1 1 10 10 TYR CB C 10 38.883 38.883 36.530 2.353 18224 7838 1 23 . 1 1 10 10 TYR H H 10 7.848 7.848 7.916 -0.068 18224 7839 1 23 . 1 1 11 11 TYR N N 11 119.438 119.438 120.256 -0.818 18224 7840 1 23 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.402 0.105 18224 7841 1 23 . 1 1 11 11 TYR C C 11 175.939 175.939 176.226 -0.287 18224 7842 1 23 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.724 0.573 18224 7843 1 23 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.885 0.082 18224 7844 1 23 . 1 1 11 11 TYR H H 11 7.849 7.849 8.413 -0.564 18224 7845 1 23 . 1 1 12 12 GLY N N 12 109.685 109.685 111.570 -1.885 18224 7846 1 23 . 1 1 12 12 GLY C C 12 174.099 174.099 173.254 0.845 18224 7847 1 23 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.767 0.778 18224 7848 1 23 . 1 1 12 12 GLY H H 12 7.792 7.792 8.932 -1.140 18224 7849 1 23 . 1 1 13 13 ALA N N 13 123.072 123.072 121.410 1.662 18224 7850 1 23 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.767 -0.492 18224 7851 1 23 . 1 1 13 13 ALA C C 13 177.669 177.669 176.035 1.634 18224 7852 1 23 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.099 0.871 18224 7853 1 23 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.431 -0.141 18224 7854 1 23 . 1 1 13 13 ALA H H 13 7.880 7.880 8.235 -0.355 18224 7855 1 23 . 1 1 14 14 ASP N N 14 117.540 117.540 119.666 -2.126 18224 7856 1 23 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.765 -0.116 18224 7857 1 23 . 1 1 14 14 ASP C C 14 175.649 175.649 175.927 -0.278 18224 7858 1 23 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.102 -0.139 18224 7859 1 23 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.047 -1.364 18224 7860 1 23 . 1 1 14 14 ASP H H 14 8.281 8.281 8.825 -0.544 18224 7861 1 23 . 1 1 15 15 ASN N N 15 118.400 118.400 116.508 1.892 18224 7862 1 23 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.789 -0.103 18224 7863 1 23 . 1 1 15 15 ASN C C 15 175.351 175.351 175.774 -0.423 18224 7864 1 23 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.238 0.370 18224 7865 1 23 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.459 -0.517 18224 7866 1 23 . 1 1 15 15 ASN H H 15 8.137 8.137 7.818 0.319 18224 7867 1 23 . 1 1 16 16 GLN N N 16 120.072 120.072 119.273 0.799 18224 7868 1 23 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.145 0.215 18224 7869 1 23 . 1 1 16 16 GLN C C 16 176.206 176.206 175.613 0.593 18224 7870 1 23 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.696 -0.294 18224 7871 1 23 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.371 0.798 18224 7872 1 23 . 1 1 16 16 GLN H H 16 8.284 8.284 8.273 0.011 18224 7873 1 23 . 1 1 17 17 SER N N 17 116.112 116.112 114.342 1.770 18224 7874 1 23 . 1 1 17 17 SER HA H 17 4.440 4.440 4.467 -0.027 18224 7875 1 23 . 1 1 17 17 SER C C 17 174.568 174.568 173.859 0.709 18224 7876 1 23 . 1 1 17 17 SER CA C 17 58.911 58.911 58.128 0.783 18224 7877 1 23 . 1 1 17 17 SER CB C 17 63.897 63.897 61.796 2.101 18224 7878 1 23 . 1 1 17 17 SER H H 17 8.211 8.211 7.813 0.398 18224 7879 1 23 . 1 1 18 18 GLU N N 18 121.378 121.378 124.541 -3.163 18224 7880 1 23 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.556 -0.177 18224 7881 1 23 . 1 1 18 18 GLU C C 18 175.934 175.934 174.938 0.996 18224 7882 1 23 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.354 0.052 18224 7883 1 23 . 1 1 18 18 GLU CB C 18 29.133 29.133 32.331 -3.198 18224 7884 1 23 . 1 1 18 18 GLU H H 18 8.262 8.262 8.175 0.087 18224 7885 1 23 . 1 1 19 19 CYS N N 19 119.418 119.418 117.104 2.314 18224 7886 1 23 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.458 -0.014 18224 7887 1 23 . 1 1 19 19 CYS C C 19 174.568 174.568 173.776 0.792 18224 7888 1 23 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.953 -1.114 18224 7889 1 23 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.670 -0.697 18224 7890 1 23 . 1 1 19 19 CYS H H 19 8.182 8.182 8.875 -0.693 18224 7891 1 23 . 1 1 20 20 GLU N N 20 122.737 122.737 117.706 5.031 18224 7892 1 23 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.592 -0.285 18224 7893 1 23 . 1 1 20 20 GLU C C 20 176.083 176.083 176.324 -0.241 18224 7894 1 23 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.418 0.122 18224 7895 1 23 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.486 -0.620 18224 7896 1 23 . 1 1 20 20 GLU H H 20 8.303 8.303 7.801 0.502 18224 7897 1 23 . 1 1 21 21 TYR N N 21 119.549 119.549 120.235 -0.686 18224 7898 1 23 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.133 0.341 18224 7899 1 23 . 1 1 21 21 TYR C C 21 175.826 175.826 174.021 1.805 18224 7900 1 23 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.717 -1.046 18224 7901 1 23 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.490 1.099 18224 7902 1 23 . 1 1 21 21 TYR H H 21 7.888 7.888 8.160 -0.272 18224 7903 1 23 . 1 1 22 22 THR N N 22 112.218 112.218 110.971 1.247 18224 7904 1 23 . 1 1 22 22 THR HA H 22 4.163 4.163 3.090 1.073 18224 7905 1 23 . 1 1 22 22 THR C C 22 174.737 174.737 173.332 1.405 18224 7906 1 23 . 1 1 22 22 THR CA C 22 62.778 62.778 63.615 -0.838 18224 7907 1 23 . 1 1 22 22 THR CB C 22 69.531 69.531 69.186 0.345 18224 7908 1 23 . 1 1 22 22 THR H H 22 7.683 7.683 7.294 0.389 18224 7909 1 23 . 1 1 23 23 ASP N N 23 121.090 121.090 120.190 0.900 18224 7910 1 23 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.676 0.035 18224 7911 1 23 . 1 1 23 23 ASP C C 23 176.279 176.279 176.669 -0.390 18224 7912 1 23 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.986 1.123 18224 7913 1 23 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.662 -0.324 18224 7914 1 23 . 1 1 23 23 ASP H H 23 8.059 8.059 7.525 0.534 18224 7915 1 23 . 1 1 24 24 TRP N N 24 121.546 121.546 121.095 0.451 18224 7916 1 23 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.361 0.125 18224 7917 1 23 . 1 1 24 24 TRP C C 24 177.051 177.051 176.949 0.102 18224 7918 1 23 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.951 -0.123 18224 7919 1 23 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.055 1.013 18224 7920 1 23 . 1 1 24 24 TRP H H 24 7.888 7.888 6.712 1.176 18224 7921 1 23 . 1 1 25 25 LYS N N 25 120.106 120.106 119.814 0.292 18224 7922 1 23 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.534 -0.544 18224 7923 1 23 . 1 1 25 25 LYS C C 25 176.764 176.764 175.794 0.970 18224 7924 1 23 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.404 1.318 18224 7925 1 23 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.772 0.529 18224 7926 1 23 . 1 1 25 25 LYS H H 25 7.620 7.620 8.109 -0.489 18224 7927 1 23 . 1 1 26 26 SER N N 26 114.114 114.114 115.860 -1.746 18224 7928 1 23 . 1 1 26 26 SER HA H 26 4.471 4.471 4.623 -0.152 18224 7929 1 23 . 1 1 26 26 SER C C 26 175.124 175.124 174.458 0.666 18224 7930 1 23 . 1 1 26 26 SER CA C 26 58.757 58.757 58.550 0.207 18224 7931 1 23 . 1 1 26 26 SER CB C 26 63.812 63.812 64.523 -0.711 18224 7932 1 23 . 1 1 26 26 SER H H 26 7.796 7.796 7.986 -0.190 18224 7933 1 23 . 1 1 27 27 SER N N 27 116.655 116.655 117.700 -1.045 18224 7934 1 23 . 1 1 27 27 SER HA H 27 4.386 4.386 4.118 0.268 18224 7935 1 23 . 1 1 27 27 SER C C 27 175.505 175.505 174.704 0.801 18224 7936 1 23 . 1 1 27 27 SER CA C 27 59.611 59.611 58.965 0.646 18224 7937 1 23 . 1 1 27 27 SER CB C 27 64.117 64.117 62.176 1.941 18224 7938 1 23 . 1 1 27 27 SER H H 27 8.046 8.046 8.812 -0.766 18224 7939 1 23 . 1 1 28 28 GLY N N 28 111.049 111.049 105.164 5.885 18224 7940 1 23 . 1 1 28 28 GLY C C 28 174.495 174.495 174.247 0.248 18224 7941 1 23 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.302 0.819 18224 7942 1 23 . 1 1 28 28 GLY H H 28 8.304 8.304 8.727 -0.423 18224 7943 1 23 . 1 1 29 29 ALA N N 29 121.693 121.693 120.534 1.159 18224 7944 1 23 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.024 0.325 18224 7945 1 23 . 1 1 29 29 ALA C C 29 177.695 177.695 177.202 0.493 18224 7946 1 23 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.176 -0.065 18224 7947 1 23 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.880 2.084 18224 7948 1 23 . 1 1 29 29 ALA H H 29 7.941 7.941 7.985 -0.044 18224 7949 1 23 . 1 1 30 30 LEU N N 30 117.996 117.996 120.153 -2.157 18224 7950 1 23 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.433 -0.251 18224 7951 1 23 . 1 1 30 30 LEU C C 30 177.484 177.484 176.177 1.307 18224 7952 1 23 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.984 2.986 18224 7953 1 23 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.870 -0.448 18224 7954 1 23 . 1 1 30 30 LEU H H 30 7.968 7.968 7.946 0.022 18224 7955 1 23 . 1 1 31 31 ILE N N 31 117.106 117.106 118.939 -1.833 18224 7956 1 23 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.190 -0.251 18224 7957 1 23 . 1 1 31 31 ILE C C 31 174.998 174.998 174.510 0.488 18224 7958 1 23 . 1 1 31 31 ILE CA C 31 65.922 65.922 61.945 3.977 18224 7959 1 23 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.726 -1.618 18224 7960 1 23 . 1 1 31 31 ILE H H 31 8.027 8.027 7.892 0.135 18224 7961 1 23 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.302 -0.018 18224 7962 1 23 . 1 1 32 32 PRO C C 32 178.663 178.663 178.092 0.571 18224 7963 1 23 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.952 1.041 18224 7964 1 23 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.683 -0.627 18224 7965 1 23 . 1 1 33 33 ALA N N 33 119.031 119.031 121.398 -2.367 18224 7966 1 23 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.306 -0.140 18224 7967 1 23 . 1 1 33 33 ALA C C 33 178.942 178.942 178.852 0.090 18224 7968 1 23 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.371 1.169 18224 7969 1 23 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.580 -0.095 18224 7970 1 23 . 1 1 33 33 ALA H H 33 7.580 7.580 8.400 -0.820 18224 7971 1 23 . 1 1 34 34 ILE N N 34 117.923 117.923 115.616 2.307 18224 7972 1 23 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.036 -0.337 18224 7973 1 23 . 1 1 34 34 ILE C C 34 177.833 177.833 175.939 1.894 18224 7974 1 23 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.994 2.118 18224 7975 1 23 . 1 1 34 34 ILE CB C 34 37.351 37.351 36.873 0.478 18224 7976 1 23 . 1 1 34 34 ILE H H 34 8.234 8.234 8.318 -0.084 18224 7977 1 23 . 1 1 35 35 TYR N N 35 118.746 118.746 120.405 -1.659 18224 7978 1 23 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.454 -0.339 18224 7979 1 23 . 1 1 35 35 TYR C C 35 178.044 178.044 177.040 1.004 18224 7980 1 23 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.193 0.565 18224 7981 1 23 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.313 -1.298 18224 7982 1 23 . 1 1 35 35 TYR H H 35 8.355 8.355 7.357 0.998 18224 7983 1 23 . 1 1 36 36 MET N N 36 117.813 117.813 117.828 -0.015 18224 7984 1 23 . 1 1 36 36 MET HA H 36 4.281 4.281 4.480 -0.199 18224 7985 1 23 . 1 1 36 36 MET C C 36 178.139 178.139 178.688 -0.549 18224 7986 1 23 . 1 1 36 36 MET CA C 36 58.482 58.482 57.908 0.574 18224 7987 1 23 . 1 1 36 36 MET CB C 36 31.716 31.716 32.812 -1.096 18224 7988 1 23 . 1 1 36 36 MET H H 36 8.107 8.107 7.835 0.272 18224 7989 1 23 . 1 1 37 37 LEU N N 37 120.311 120.311 121.348 -1.037 18224 7990 1 23 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.157 -0.082 18224 7991 1 23 . 1 1 37 37 LEU C C 37 178.399 178.399 176.971 1.428 18224 7992 1 23 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.029 0.441 18224 7993 1 23 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.959 -0.006 18224 7994 1 23 . 1 1 37 37 LEU H H 37 8.229 8.229 7.816 0.413 18224 7995 1 23 . 1 1 38 38 VAL N N 38 118.080 118.080 114.745 3.335 18224 7996 1 23 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.137 -0.612 18224 7997 1 23 . 1 1 38 38 VAL C C 38 178.139 178.139 176.273 1.866 18224 7998 1 23 . 1 1 38 38 VAL CA C 38 67.152 67.152 61.579 5.573 18224 7999 1 23 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.806 -0.356 18224 8000 1 23 . 1 1 38 38 VAL H H 38 8.363 8.363 7.190 1.173 18224 8001 1 23 . 1 1 39 39 PHE N N 39 120.151 120.151 119.999 0.152 18224 8002 1 23 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.625 -0.402 18224 8003 1 23 . 1 1 39 39 PHE C C 39 178.544 178.544 174.986 3.558 18224 8004 1 23 . 1 1 39 39 PHE CA C 39 61.326 61.326 58.431 2.895 18224 8005 1 23 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.238 -2.322 18224 8006 1 23 . 1 1 39 39 PHE H H 39 8.306 8.306 8.172 0.134 18224 8007 1 23 . 1 1 40 40 LEU N N 40 121.004 121.004 114.577 6.427 18224 8008 1 23 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.751 -0.728 18224 8009 1 23 . 1 1 40 40 LEU C C 40 179.704 179.704 176.721 2.983 18224 8010 1 23 . 1 1 40 40 LEU CA C 40 57.938 57.938 54.951 2.987 18224 8011 1 23 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.272 0.020 18224 8012 1 23 . 1 1 40 40 LEU H H 40 8.567 8.567 7.407 1.160 18224 8013 1 23 . 1 1 41 41 LEU N N 41 119.593 119.593 122.444 -2.851 18224 8014 1 23 . 1 1 41 41 LEU HA H 41 4.061 4.061 3.988 0.073 18224 8015 1 23 . 1 1 41 41 LEU C C 41 178.966 178.966 177.650 1.316 18224 8016 1 23 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.388 0.308 18224 8017 1 23 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.073 -0.281 18224 8018 1 23 . 1 1 41 41 LEU H H 41 8.503 8.503 7.680 0.823 18224 8019 1 23 . 1 1 42 42 GLY N N 42 105.838 105.838 102.369 3.469 18224 8020 1 23 . 1 1 42 42 GLY C C 42 175.587 175.587 174.438 1.149 18224 8021 1 23 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.354 1.216 18224 8022 1 23 . 1 1 42 42 GLY H H 42 8.355 8.355 7.962 0.393 18224 8023 1 23 . 1 1 43 43 THR N N 43 112.333 112.333 114.619 -2.286 18224 8024 1 23 . 1 1 43 43 THR HA H 43 4.290 4.290 4.370 -0.080 18224 8025 1 23 . 1 1 43 43 THR C C 43 175.765 175.765 175.754 0.011 18224 8026 1 23 . 1 1 43 43 THR CA C 43 63.680 63.680 62.341 1.339 18224 8027 1 23 . 1 1 43 43 THR CB C 43 69.626 69.626 69.617 0.009 18224 8028 1 23 . 1 1 43 43 THR H H 43 7.895 7.895 7.961 -0.066 18224 8029 1 23 . 1 1 44 44 THR N N 44 112.041 112.041 115.470 -3.429 18224 8030 1 23 . 1 1 44 44 THR HA H 44 4.388 4.388 4.135 0.253 18224 8031 1 23 . 1 1 44 44 THR C C 44 175.555 175.555 175.418 0.137 18224 8032 1 23 . 1 1 44 44 THR CA C 44 62.732 62.732 63.151 -0.419 18224 8033 1 23 . 1 1 44 44 THR CB C 44 70.240 70.240 68.776 1.464 18224 8034 1 23 . 1 1 44 44 THR H H 44 7.684 7.684 7.595 0.089 18224 8035 1 23 . 1 1 45 45 GLY N N 45 109.756 109.756 108.529 1.227 18224 8036 1 23 . 1 1 45 45 GLY C C 45 174.948 174.948 173.202 1.746 18224 8037 1 23 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.939 1.413 18224 8038 1 23 . 1 1 45 45 GLY H H 45 8.058 8.058 8.376 -0.318 18224 8039 1 23 . 1 1 46 46 ASN N N 46 117.561 117.561 118.382 -0.821 18224 8040 1 23 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.463 0.382 18224 8041 1 23 . 1 1 46 46 ASN C C 46 175.853 175.853 175.000 0.853 18224 8042 1 23 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.258 0.834 18224 8043 1 23 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.490 2.022 18224 8044 1 23 . 1 1 46 46 ASN H H 46 8.202 8.202 7.892 0.310 18224 8045 1 23 . 1 1 47 47 GLY N N 47 108.715 108.715 105.996 2.719 18224 8046 1 23 . 1 1 47 47 GLY C C 47 174.431 174.431 174.297 0.134 18224 8047 1 23 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.628 1.533 18224 8048 1 23 . 1 1 47 47 GLY H H 47 8.600 8.600 8.411 0.189 18224 8049 1 23 . 1 1 48 48 LEU N N 48 120.089 120.089 121.226 -1.137 18224 8050 1 23 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.763 -0.444 18224 8051 1 23 . 1 1 48 48 LEU C C 48 179.243 179.243 176.834 2.409 18224 8052 1 23 . 1 1 48 48 LEU CA C 48 57.316 57.316 54.893 2.423 18224 8053 1 23 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.283 -1.445 18224 8054 1 23 . 1 1 48 48 LEU H H 48 8.003 8.003 7.817 0.186 18224 8055 1 23 . 1 1 49 49 VAL N N 49 120.573 120.573 119.313 1.260 18224 8056 1 23 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.194 -0.373 18224 8057 1 23 . 1 1 49 49 VAL C C 49 177.520 177.520 177.456 0.064 18224 8058 1 23 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.884 1.178 18224 8059 1 23 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.808 -0.320 18224 8060 1 23 . 1 1 49 49 VAL H H 49 7.910 7.910 7.998 -0.088 18224 8061 1 23 . 1 1 50 50 LEU N N 50 119.718 119.718 116.815 2.903 18224 8062 1 23 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.447 -0.420 18224 8063 1 23 . 1 1 50 50 LEU C C 50 178.169 178.169 178.217 -0.048 18224 8064 1 23 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.926 1.126 18224 8065 1 23 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.211 1.530 18224 8066 1 23 . 1 1 50 50 LEU H H 50 7.860 7.860 8.092 -0.232 18224 8067 1 23 . 1 1 51 51 TRP N N 51 118.071 118.071 120.233 -2.162 18224 8068 1 23 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.669 -0.127 18224 8069 1 23 . 1 1 51 51 TRP C C 51 177.296 177.296 177.459 -0.163 18224 8070 1 23 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.307 0.611 18224 8071 1 23 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.761 1.214 18224 8072 1 23 . 1 1 51 51 TRP H H 51 8.109 8.109 8.252 -0.143 18224 8073 1 23 . 1 1 52 52 THR N N 52 113.243 113.243 116.040 -2.797 18224 8074 1 23 . 1 1 52 52 THR HA H 52 3.773 3.773 3.435 0.338 18224 8075 1 23 . 1 1 52 52 THR C C 52 176.402 176.402 176.194 0.208 18224 8076 1 23 . 1 1 52 52 THR CA C 52 66.690 66.690 65.489 1.201 18224 8077 1 23 . 1 1 52 52 THR CB C 52 68.921 68.921 68.476 0.445 18224 8078 1 23 . 1 1 52 52 THR H H 52 8.072 8.072 7.570 0.502 18224 8079 1 23 . 1 1 53 53 VAL N N 53 120.307 120.307 120.778 -0.471 18224 8080 1 23 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.653 0.010 18224 8081 1 23 . 1 1 53 53 VAL C C 53 177.362 177.362 177.208 0.154 18224 8082 1 23 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.298 0.994 18224 8083 1 23 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.220 0.497 18224 8084 1 23 . 1 1 53 53 VAL H H 53 8.006 8.006 7.493 0.513 18224 8085 1 23 . 1 1 54 54 PHE N N 54 119.041 119.041 119.240 -0.199 18224 8086 1 23 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.080 0.148 18224 8087 1 23 . 1 1 54 54 PHE C C 54 177.476 177.476 176.520 0.956 18224 8088 1 23 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.727 0.165 18224 8089 1 23 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.844 -0.248 18224 8090 1 23 . 1 1 54 54 PHE H H 54 8.143 8.143 7.525 0.618 18224 8091 1 23 . 1 1 55 55 ARG N N 55 117.543 117.543 118.696 -1.153 18224 8092 1 23 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.186 0.677 18224 8093 1 23 . 1 1 55 55 ARG C C 55 177.832 177.832 177.297 0.535 18224 8094 1 23 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.638 0.069 18224 8095 1 23 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.099 -0.623 18224 8096 1 23 . 1 1 55 55 ARG H H 55 8.112 8.112 7.094 1.018 18224 8097 1 23 . 1 1 56 56 LYS N N 56 118.390 118.390 117.418 0.972 18224 8098 1 23 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.895 0.268 18224 8099 1 23 . 1 1 56 56 LYS C C 56 177.400 177.400 177.307 0.093 18224 8100 1 23 . 1 1 56 56 LYS CA C 56 57.710 57.710 57.688 0.022 18224 8101 1 23 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.738 1.041 18224 8102 1 23 . 1 1 56 56 LYS H H 56 7.789 7.789 7.518 0.271 18224 8103 1 23 . 1 1 57 57 LYS N N 57 118.190 118.190 116.744 1.446 18224 8104 1 23 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.195 0.064 18224 8105 1 23 . 1 1 57 57 LYS C C 57 176.791 176.791 175.845 0.946 18224 8106 1 23 . 1 1 57 57 LYS CA C 57 56.425 56.425 54.201 2.224 18224 8107 1 23 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.762 2.061 18224 8108 1 23 . 1 1 57 57 LYS H H 57 7.821 7.821 7.116 0.705 18224 8109 1 23 . 1 1 58 58 GLY N N 58 107.289 107.289 107.908 -0.619 18224 8110 1 23 . 1 1 58 58 GLY C C 58 173.607 173.607 174.340 -0.733 18224 8111 1 23 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.208 1.266 18224 8112 1 23 . 1 1 58 58 GLY H H 58 7.927 7.927 7.039 0.888 18224 8113 1 23 . 1 1 59 59 HIS N N 59 116.847 116.847 120.009 -3.162 18224 8114 1 23 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.248 0.445 18224 8115 1 23 . 1 1 59 59 HIS C C 59 174.153 174.153 175.276 -1.123 18224 8116 1 23 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.646 -2.488 18224 8117 1 23 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.731 -0.816 18224 8118 1 23 . 1 1 59 59 HIS H H 59 8.120 8.120 7.343 0.777 18224 8119 1 23 . 1 1 60 60 HIS N N 60 118.028 118.028 118.436 -0.408 18224 8120 1 23 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.171 0.521 18224 8121 1 23 . 1 1 60 60 HIS C C 60 173.987 173.987 175.136 -1.149 18224 8122 1 23 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.115 -0.607 18224 8123 1 23 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.591 -0.766 18224 8124 1 23 . 1 1 60 60 HIS H H 60 8.328 8.328 8.074 0.254 18224 8125 1 23 . 1 1 61 61 HIS N N 61 118.101 118.101 123.459 -5.358 18224 8126 1 23 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.656 0.034 18224 8127 1 23 . 1 1 61 61 HIS C C 61 174.032 174.032 174.640 -0.608 18224 8128 1 23 . 1 1 61 61 HIS CA C 61 55.718 55.718 54.220 1.498 18224 8129 1 23 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.273 -1.378 18224 8130 1 23 . 1 1 61 61 HIS H H 61 8.351 8.351 7.705 0.646 18224 8131 1 23 . 1 1 62 62 HIS N N 62 118.704 118.704 117.261 1.443 18224 8132 1 23 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.535 0.166 18224 8133 1 23 . 1 1 62 62 HIS C C 62 173.803 173.803 175.123 -1.320 18224 8134 1 23 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.185 -0.581 18224 8135 1 23 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.087 -0.924 18224 8136 1 23 . 1 1 62 62 HIS H H 62 8.381 8.381 8.359 0.022 18224 8137 1 23 . 1 1 63 63 HIS N N 63 118.853 118.853 121.396 -2.543 18224 8138 1 23 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.428 0.253 18224 8139 1 23 . 1 1 63 63 HIS C C 63 173.576 173.576 176.658 -3.082 18224 8140 1 23 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.119 -1.421 18224 8141 1 23 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.555 -1.421 18224 8142 1 23 . 1 1 63 63 HIS H H 63 8.299 8.299 8.696 -0.397 18224 8143 1 24 . 1 1 2 2 GLU N N 2 122.762 122.762 123.267 -0.505 18224 8144 1 24 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.431 0.007 18224 8145 1 24 . 1 1 2 2 GLU C C 2 175.581 175.581 175.569 0.012 18224 8146 1 24 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.383 -0.023 18224 8147 1 24 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.162 0.420 18224 8148 1 24 . 1 1 2 2 GLU H H 2 8.628 8.628 8.622 0.006 18224 8149 1 24 . 1 1 3 3 GLU N N 3 121.071 121.071 120.491 0.580 18224 8150 1 24 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.523 -0.142 18224 8151 1 24 . 1 1 3 3 GLU C C 3 176.457 176.457 176.205 0.252 18224 8152 1 24 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.635 -0.287 18224 8153 1 24 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.304 -0.105 18224 8154 1 24 . 1 1 3 3 GLU H H 3 8.393 8.393 7.736 0.657 18224 8155 1 24 . 1 1 4 4 GLY N N 4 109.717 109.717 111.523 -1.806 18224 8156 1 24 . 1 1 4 4 GLY C C 4 174.677 174.677 174.865 -0.188 18224 8157 1 24 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.469 0.172 18224 8158 1 24 . 1 1 4 4 GLY H H 4 8.377 8.377 8.375 0.002 18224 8159 1 24 . 1 1 5 5 GLY N N 5 108.373 108.373 111.518 -3.145 18224 8160 1 24 . 1 1 5 5 GLY C C 5 174.047 174.047 174.608 -0.561 18224 8161 1 24 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.923 0.649 18224 8162 1 24 . 1 1 5 5 GLY H H 5 8.115 8.115 8.544 -0.429 18224 8163 1 24 . 1 1 6 6 ASP N N 6 118.996 118.996 118.765 0.231 18224 8164 1 24 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.325 0.324 18224 8165 1 24 . 1 1 6 6 ASP C C 6 175.903 175.903 174.538 1.365 18224 8166 1 24 . 1 1 6 6 ASP CA C 6 54.045 54.045 55.233 -1.188 18224 8167 1 24 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.227 -0.883 18224 8168 1 24 . 1 1 6 6 ASP H H 6 8.166 8.166 8.166 -0.000 18224 8169 1 24 . 1 1 7 7 PHE N N 7 119.750 119.750 121.193 -1.443 18224 8170 1 24 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.590 -0.040 18224 8171 1 24 . 1 1 7 7 PHE C C 7 175.919 175.919 174.079 1.840 18224 8172 1 24 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.560 1.372 18224 8173 1 24 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.489 -1.309 18224 8174 1 24 . 1 1 7 7 PHE H H 7 8.151 8.151 8.440 -0.289 18224 8175 1 24 . 1 1 8 8 ASP N N 8 118.526 118.526 123.086 -4.560 18224 8176 1 24 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.387 0.111 18224 8177 1 24 . 1 1 8 8 ASP C C 8 175.787 175.787 174.923 0.864 18224 8178 1 24 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.373 0.262 18224 8179 1 24 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.612 -2.409 18224 8180 1 24 . 1 1 8 8 ASP H H 8 8.161 8.161 8.309 -0.148 18224 8181 1 24 . 1 1 9 9 ASN N N 9 117.291 117.291 118.338 -1.047 18224 8182 1 24 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.767 -0.196 18224 8183 1 24 . 1 1 9 9 ASN C C 9 175.142 175.142 173.929 1.213 18224 8184 1 24 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.435 1.499 18224 8185 1 24 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.446 0.346 18224 8186 1 24 . 1 1 9 9 ASN H H 9 8.013 8.013 7.711 0.302 18224 8187 1 24 . 1 1 10 10 TYR N N 10 119.112 119.112 120.803 -1.691 18224 8188 1 24 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.343 0.103 18224 8189 1 24 . 1 1 10 10 TYR C C 10 175.513 175.513 177.287 -1.774 18224 8190 1 24 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.756 1.218 18224 8191 1 24 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.365 0.518 18224 8192 1 24 . 1 1 10 10 TYR H H 10 7.848 7.848 7.264 0.584 18224 8193 1 24 . 1 1 11 11 TYR N N 11 119.438 119.438 121.959 -2.521 18224 8194 1 24 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.247 0.260 18224 8195 1 24 . 1 1 11 11 TYR C C 11 175.939 175.939 176.994 -1.055 18224 8196 1 24 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.220 0.077 18224 8197 1 24 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.899 0.068 18224 8198 1 24 . 1 1 11 11 TYR H H 11 7.849 7.849 8.661 -0.812 18224 8199 1 24 . 1 1 12 12 GLY N N 12 109.685 109.685 106.219 3.466 18224 8200 1 24 . 1 1 12 12 GLY C C 12 174.099 174.099 173.928 0.171 18224 8201 1 24 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.660 0.885 18224 8202 1 24 . 1 1 12 12 GLY H H 12 7.792 7.792 8.709 -0.917 18224 8203 1 24 . 1 1 13 13 ALA N N 13 123.072 123.072 126.314 -3.242 18224 8204 1 24 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.535 -0.260 18224 8205 1 24 . 1 1 13 13 ALA C C 13 177.669 177.669 176.396 1.273 18224 8206 1 24 . 1 1 13 13 ALA CA C 13 52.970 52.970 50.278 2.692 18224 8207 1 24 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.394 0.896 18224 8208 1 24 . 1 1 13 13 ALA H H 13 7.880 7.880 8.102 -0.222 18224 8209 1 24 . 1 1 14 14 ASP N N 14 117.540 117.540 121.098 -3.558 18224 8210 1 24 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.446 0.203 18224 8211 1 24 . 1 1 14 14 ASP C C 14 175.649 175.649 175.568 0.081 18224 8212 1 24 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.959 -0.995 18224 8213 1 24 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.175 0.508 18224 8214 1 24 . 1 1 14 14 ASP H H 14 8.281 8.281 7.987 0.294 18224 8215 1 24 . 1 1 15 15 ASN N N 15 118.400 118.400 120.453 -2.053 18224 8216 1 24 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.765 -0.079 18224 8217 1 24 . 1 1 15 15 ASN C C 15 175.351 175.351 175.866 -0.515 18224 8218 1 24 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.705 -0.097 18224 8219 1 24 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.956 -1.014 18224 8220 1 24 . 1 1 15 15 ASN H H 15 8.137 8.137 8.742 -0.605 18224 8221 1 24 . 1 1 16 16 GLN N N 16 120.072 120.072 122.561 -2.489 18224 8222 1 24 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.304 0.056 18224 8223 1 24 . 1 1 16 16 GLN C C 16 176.206 176.206 175.649 0.557 18224 8224 1 24 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.104 0.298 18224 8225 1 24 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.857 2.312 18224 8226 1 24 . 1 1 16 16 GLN H H 16 8.284 8.284 8.048 0.236 18224 8227 1 24 . 1 1 17 17 SER N N 17 116.112 116.112 118.135 -2.023 18224 8228 1 24 . 1 1 17 17 SER HA H 17 4.440 4.440 4.554 -0.114 18224 8229 1 24 . 1 1 17 17 SER C C 17 174.568 174.568 173.531 1.037 18224 8230 1 24 . 1 1 17 17 SER CA C 17 58.911 58.911 58.415 0.496 18224 8231 1 24 . 1 1 17 17 SER CB C 17 63.897 63.897 63.129 0.768 18224 8232 1 24 . 1 1 17 17 SER H H 17 8.211 8.211 8.564 -0.353 18224 8233 1 24 . 1 1 18 18 GLU N N 18 121.378 121.378 128.997 -7.619 18224 8234 1 24 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.561 -0.182 18224 8235 1 24 . 1 1 18 18 GLU C C 18 175.934 175.934 175.016 0.918 18224 8236 1 24 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.902 0.504 18224 8237 1 24 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.907 -1.774 18224 8238 1 24 . 1 1 18 18 GLU H H 18 8.262 8.262 8.443 -0.181 18224 8239 1 24 . 1 1 19 19 CYS N N 19 119.418 119.418 121.771 -2.353 18224 8240 1 24 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.653 -0.209 18224 8241 1 24 . 1 1 19 19 CYS C C 19 174.568 174.568 174.849 -0.281 18224 8242 1 24 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.833 1.006 18224 8243 1 24 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.808 -1.835 18224 8244 1 24 . 1 1 19 19 CYS H H 19 8.182 8.182 8.271 -0.089 18224 8245 1 24 . 1 1 20 20 GLU N N 20 122.737 122.737 115.181 7.556 18224 8246 1 24 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.948 0.359 18224 8247 1 24 . 1 1 20 20 GLU C C 20 176.083 176.083 174.794 1.289 18224 8248 1 24 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.308 -1.768 18224 8249 1 24 . 1 1 20 20 GLU CB C 20 28.866 28.866 27.969 0.897 18224 8250 1 24 . 1 1 20 20 GLU H H 20 8.303 8.303 8.974 -0.671 18224 8251 1 24 . 1 1 21 21 TYR N N 21 119.549 119.549 115.586 3.963 18224 8252 1 24 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.614 -0.140 18224 8253 1 24 . 1 1 21 21 TYR C C 21 175.826 175.826 174.838 0.988 18224 8254 1 24 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.486 0.185 18224 8255 1 24 . 1 1 21 21 TYR CB C 21 38.589 38.589 40.627 -2.038 18224 8256 1 24 . 1 1 21 21 TYR H H 21 7.888 7.888 7.767 0.121 18224 8257 1 24 . 1 1 22 22 THR N N 22 112.218 112.218 115.883 -3.665 18224 8258 1 24 . 1 1 22 22 THR HA H 22 4.163 4.163 3.038 1.125 18224 8259 1 24 . 1 1 22 22 THR C C 22 174.737 174.737 173.379 1.358 18224 8260 1 24 . 1 1 22 22 THR CA C 22 62.778 62.778 65.910 -3.132 18224 8261 1 24 . 1 1 22 22 THR CB C 22 69.531 69.531 68.943 0.588 18224 8262 1 24 . 1 1 22 22 THR H H 22 7.683 7.683 7.412 0.271 18224 8263 1 24 . 1 1 23 23 ASP N N 23 121.090 121.090 118.900 2.190 18224 8264 1 24 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.565 0.146 18224 8265 1 24 . 1 1 23 23 ASP C C 23 176.279 176.279 177.182 -0.903 18224 8266 1 24 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.248 0.862 18224 8267 1 24 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.032 -0.694 18224 8268 1 24 . 1 1 23 23 ASP H H 23 8.059 8.059 8.033 0.026 18224 8269 1 24 . 1 1 24 24 TRP N N 24 121.546 121.546 121.831 -0.285 18224 8270 1 24 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.277 0.209 18224 8271 1 24 . 1 1 24 24 TRP C C 24 177.051 177.051 176.443 0.608 18224 8272 1 24 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.462 1.366 18224 8273 1 24 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.516 1.552 18224 8274 1 24 . 1 1 24 24 TRP H H 24 7.888 7.888 6.668 1.220 18224 8275 1 24 . 1 1 25 25 LYS N N 25 120.106 120.106 121.209 -1.103 18224 8276 1 24 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.072 -0.082 18224 8277 1 24 . 1 1 25 25 LYS C C 25 176.764 176.764 178.015 -1.251 18224 8278 1 24 . 1 1 25 25 LYS CA C 25 57.722 57.722 58.094 -0.372 18224 8279 1 24 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.194 0.107 18224 8280 1 24 . 1 1 25 25 LYS H H 25 7.620 7.620 8.316 -0.696 18224 8281 1 24 . 1 1 26 26 SER N N 26 114.114 114.114 109.947 4.167 18224 8282 1 24 . 1 1 26 26 SER HA H 26 4.471 4.471 4.262 0.209 18224 8283 1 24 . 1 1 26 26 SER C C 26 175.124 175.124 174.684 0.440 18224 8284 1 24 . 1 1 26 26 SER CA C 26 58.757 58.757 59.510 -0.753 18224 8285 1 24 . 1 1 26 26 SER CB C 26 63.812 63.812 62.392 1.420 18224 8286 1 24 . 1 1 26 26 SER H H 26 7.796 7.796 8.693 -0.897 18224 8287 1 24 . 1 1 27 27 SER N N 27 116.655 116.655 114.446 2.209 18224 8288 1 24 . 1 1 27 27 SER HA H 27 4.386 4.386 4.698 -0.312 18224 8289 1 24 . 1 1 27 27 SER C C 27 175.505 175.505 174.921 0.584 18224 8290 1 24 . 1 1 27 27 SER CA C 27 59.611 59.611 60.479 -0.868 18224 8291 1 24 . 1 1 27 27 SER CB C 27 64.117 64.117 64.256 -0.139 18224 8292 1 24 . 1 1 27 27 SER H H 27 8.046 8.046 8.108 -0.062 18224 8293 1 24 . 1 1 28 28 GLY N N 28 111.049 111.049 107.285 3.764 18224 8294 1 24 . 1 1 28 28 GLY C C 28 174.495 174.495 173.027 1.468 18224 8295 1 24 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.858 1.263 18224 8296 1 24 . 1 1 28 28 GLY H H 28 8.304 8.304 7.874 0.430 18224 8297 1 24 . 1 1 29 29 ALA N N 29 121.693 121.693 121.592 0.101 18224 8298 1 24 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.099 0.250 18224 8299 1 24 . 1 1 29 29 ALA C C 29 177.695 177.695 176.815 0.880 18224 8300 1 24 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.516 0.595 18224 8301 1 24 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.635 1.329 18224 8302 1 24 . 1 1 29 29 ALA H H 29 7.941 7.941 7.819 0.122 18224 8303 1 24 . 1 1 30 30 LEU N N 30 117.996 117.996 124.589 -6.593 18224 8304 1 24 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.432 -0.250 18224 8305 1 24 . 1 1 30 30 LEU C C 30 177.484 177.484 176.441 1.043 18224 8306 1 24 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.300 2.670 18224 8307 1 24 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.883 0.539 18224 8308 1 24 . 1 1 30 30 LEU H H 30 7.968 7.968 8.449 -0.481 18224 8309 1 24 . 1 1 31 31 ILE N N 31 117.106 117.106 117.938 -0.832 18224 8310 1 24 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.145 -0.206 18224 8311 1 24 . 1 1 31 31 ILE C C 31 174.998 174.998 174.631 0.367 18224 8312 1 24 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.473 3.449 18224 8313 1 24 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.566 -1.458 18224 8314 1 24 . 1 1 31 31 ILE H H 31 8.027 8.027 7.638 0.389 18224 8315 1 24 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.484 -0.200 18224 8316 1 24 . 1 1 32 32 PRO C C 32 178.663 178.663 177.884 0.779 18224 8317 1 24 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.896 1.097 18224 8318 1 24 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.821 0.235 18224 8319 1 24 . 1 1 33 33 ALA N N 33 119.031 119.031 120.354 -1.323 18224 8320 1 24 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.216 -0.050 18224 8321 1 24 . 1 1 33 33 ALA C C 33 178.942 178.942 179.725 -0.783 18224 8322 1 24 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.753 0.787 18224 8323 1 24 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.413 0.072 18224 8324 1 24 . 1 1 33 33 ALA H H 33 7.580 7.580 8.354 -0.774 18224 8325 1 24 . 1 1 34 34 ILE N N 34 117.923 117.923 118.346 -0.423 18224 8326 1 24 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.982 -0.283 18224 8327 1 24 . 1 1 34 34 ILE C C 34 177.833 177.833 177.378 0.455 18224 8328 1 24 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.127 2.985 18224 8329 1 24 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.900 -0.549 18224 8330 1 24 . 1 1 34 34 ILE H H 34 8.234 8.234 7.532 0.702 18224 8331 1 24 . 1 1 35 35 TYR N N 35 118.746 118.746 120.410 -1.664 18224 8332 1 24 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.145 -0.030 18224 8333 1 24 . 1 1 35 35 TYR C C 35 178.044 178.044 177.713 0.331 18224 8334 1 24 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.258 -0.500 18224 8335 1 24 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.824 -0.809 18224 8336 1 24 . 1 1 35 35 TYR H H 35 8.355 8.355 7.616 0.739 18224 8337 1 24 . 1 1 36 36 MET N N 36 117.813 117.813 117.583 0.230 18224 8338 1 24 . 1 1 36 36 MET HA H 36 4.281 4.281 4.347 -0.066 18224 8339 1 24 . 1 1 36 36 MET C C 36 178.139 178.139 178.292 -0.153 18224 8340 1 24 . 1 1 36 36 MET CA C 36 58.482 58.482 58.077 0.405 18224 8341 1 24 . 1 1 36 36 MET CB C 36 31.716 31.716 32.582 -0.866 18224 8342 1 24 . 1 1 36 36 MET H H 36 8.107 8.107 7.935 0.172 18224 8343 1 24 . 1 1 37 37 LEU N N 37 120.311 120.311 119.302 1.009 18224 8344 1 24 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.065 0.010 18224 8345 1 24 . 1 1 37 37 LEU C C 37 178.399 178.399 178.502 -0.103 18224 8346 1 24 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.467 1.003 18224 8347 1 24 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.909 0.044 18224 8348 1 24 . 1 1 37 37 LEU H H 37 8.229 8.229 7.565 0.664 18224 8349 1 24 . 1 1 38 38 VAL N N 38 118.080 118.080 116.017 2.063 18224 8350 1 24 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.881 -0.356 18224 8351 1 24 . 1 1 38 38 VAL C C 38 178.139 178.139 177.243 0.896 18224 8352 1 24 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.980 2.172 18224 8353 1 24 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.093 -0.643 18224 8354 1 24 . 1 1 38 38 VAL H H 38 8.363 8.363 7.298 1.065 18224 8355 1 24 . 1 1 39 39 PHE N N 39 120.151 120.151 120.840 -0.689 18224 8356 1 24 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.138 0.085 18224 8357 1 24 . 1 1 39 39 PHE C C 39 178.544 178.544 178.172 0.372 18224 8358 1 24 . 1 1 39 39 PHE CA C 39 61.326 61.326 62.519 -1.193 18224 8359 1 24 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.346 -0.430 18224 8360 1 24 . 1 1 39 39 PHE H H 39 8.306 8.306 8.074 0.232 18224 8361 1 24 . 1 1 40 40 LEU N N 40 121.004 121.004 118.105 2.899 18224 8362 1 24 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.196 -0.173 18224 8363 1 24 . 1 1 40 40 LEU C C 40 179.704 179.704 179.156 0.548 18224 8364 1 24 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.662 0.276 18224 8365 1 24 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.098 1.194 18224 8366 1 24 . 1 1 40 40 LEU H H 40 8.567 8.567 7.903 0.664 18224 8367 1 24 . 1 1 41 41 LEU N N 41 119.593 119.593 115.418 4.175 18224 8368 1 24 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.169 -0.108 18224 8369 1 24 . 1 1 41 41 LEU C C 41 178.966 178.966 177.558 1.408 18224 8370 1 24 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.767 1.929 18224 8371 1 24 . 1 1 41 41 LEU CB C 41 41.792 41.792 40.063 1.729 18224 8372 1 24 . 1 1 41 41 LEU H H 41 8.503 8.503 8.030 0.473 18224 8373 1 24 . 1 1 42 42 GLY N N 42 105.838 105.838 103.438 2.400 18224 8374 1 24 . 1 1 42 42 GLY C C 42 175.587 175.587 174.120 1.467 18224 8375 1 24 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.492 1.078 18224 8376 1 24 . 1 1 42 42 GLY H H 42 8.355 8.355 7.961 0.394 18224 8377 1 24 . 1 1 43 43 THR N N 43 112.333 112.333 111.487 0.846 18224 8378 1 24 . 1 1 43 43 THR HA H 43 4.290 4.290 4.573 -0.283 18224 8379 1 24 . 1 1 43 43 THR C C 43 175.765 175.765 175.082 0.683 18224 8380 1 24 . 1 1 43 43 THR CA C 43 63.680 63.680 62.999 0.681 18224 8381 1 24 . 1 1 43 43 THR CB C 43 69.626 69.626 70.442 -0.816 18224 8382 1 24 . 1 1 43 43 THR H H 43 7.895 7.895 7.738 0.157 18224 8383 1 24 . 1 1 44 44 THR N N 44 112.041 112.041 113.784 -1.743 18224 8384 1 24 . 1 1 44 44 THR HA H 44 4.388 4.388 4.588 -0.200 18224 8385 1 24 . 1 1 44 44 THR C C 44 175.555 175.555 177.091 -1.536 18224 8386 1 24 . 1 1 44 44 THR CA C 44 62.732 62.732 63.654 -0.923 18224 8387 1 24 . 1 1 44 44 THR CB C 44 70.240 70.240 70.254 -0.014 18224 8388 1 24 . 1 1 44 44 THR H H 44 7.684 7.684 8.064 -0.380 18224 8389 1 24 . 1 1 45 45 GLY N N 45 109.756 109.756 110.372 -0.616 18224 8390 1 24 . 1 1 45 45 GLY C C 45 174.948 174.948 174.828 0.120 18224 8391 1 24 . 1 1 45 45 GLY CA C 45 46.352 46.352 46.565 -0.213 18224 8392 1 24 . 1 1 45 45 GLY H H 45 8.058 8.058 8.571 -0.513 18224 8393 1 24 . 1 1 46 46 ASN N N 46 117.561 117.561 116.721 0.840 18224 8394 1 24 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.782 0.063 18224 8395 1 24 . 1 1 46 46 ASN C C 46 175.853 175.853 175.916 -0.063 18224 8396 1 24 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.333 0.759 18224 8397 1 24 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.836 0.677 18224 8398 1 24 . 1 1 46 46 ASN H H 46 8.202 8.202 7.940 0.262 18224 8399 1 24 . 1 1 47 47 GLY N N 47 108.715 108.715 108.131 0.584 18224 8400 1 24 . 1 1 47 47 GLY C C 47 174.431 174.431 174.825 -0.394 18224 8401 1 24 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.623 1.538 18224 8402 1 24 . 1 1 47 47 GLY H H 47 8.600 8.600 8.371 0.229 18224 8403 1 24 . 1 1 48 48 LEU N N 48 120.089 120.089 122.547 -2.458 18224 8404 1 24 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.167 0.152 18224 8405 1 24 . 1 1 48 48 LEU C C 48 179.243 179.243 179.140 0.103 18224 8406 1 24 . 1 1 48 48 LEU CA C 48 57.316 57.316 57.761 -0.445 18224 8407 1 24 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.255 -0.417 18224 8408 1 24 . 1 1 48 48 LEU H H 48 8.003 8.003 7.771 0.232 18224 8409 1 24 . 1 1 49 49 VAL N N 49 120.573 120.573 118.538 2.035 18224 8410 1 24 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.746 0.075 18224 8411 1 24 . 1 1 49 49 VAL C C 49 177.520 177.520 177.254 0.266 18224 8412 1 24 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.378 0.684 18224 8413 1 24 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.633 -0.145 18224 8414 1 24 . 1 1 49 49 VAL H H 49 7.910 7.910 8.084 -0.174 18224 8415 1 24 . 1 1 50 50 LEU N N 50 119.718 119.718 118.070 1.648 18224 8416 1 24 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.405 -0.378 18224 8417 1 24 . 1 1 50 50 LEU C C 50 178.169 178.169 179.019 -0.850 18224 8418 1 24 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.294 1.758 18224 8419 1 24 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.389 0.352 18224 8420 1 24 . 1 1 50 50 LEU H H 50 7.860 7.860 7.704 0.156 18224 8421 1 24 . 1 1 51 51 TRP N N 51 118.071 118.071 123.035 -4.964 18224 8422 1 24 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.439 0.103 18224 8423 1 24 . 1 1 51 51 TRP C C 51 177.296 177.296 177.014 0.282 18224 8424 1 24 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.826 0.092 18224 8425 1 24 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.234 1.741 18224 8426 1 24 . 1 1 51 51 TRP H H 51 8.109 8.109 8.773 -0.664 18224 8427 1 24 . 1 1 52 52 THR N N 52 113.243 113.243 115.094 -1.851 18224 8428 1 24 . 1 1 52 52 THR HA H 52 3.773 3.773 3.505 0.268 18224 8429 1 24 . 1 1 52 52 THR C C 52 176.402 176.402 175.634 0.768 18224 8430 1 24 . 1 1 52 52 THR CA C 52 66.690 66.690 64.710 1.980 18224 8431 1 24 . 1 1 52 52 THR CB C 52 68.921 68.921 68.570 0.351 18224 8432 1 24 . 1 1 52 52 THR H H 52 8.072 8.072 7.617 0.455 18224 8433 1 24 . 1 1 53 53 VAL N N 53 120.307 120.307 120.803 -0.496 18224 8434 1 24 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.655 0.008 18224 8435 1 24 . 1 1 53 53 VAL C C 53 177.362 177.362 177.141 0.221 18224 8436 1 24 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.042 0.250 18224 8437 1 24 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.731 -0.014 18224 8438 1 24 . 1 1 53 53 VAL H H 53 8.006 8.006 7.595 0.411 18224 8439 1 24 . 1 1 54 54 PHE N N 54 119.041 119.041 117.439 1.602 18224 8440 1 24 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.246 -0.018 18224 8441 1 24 . 1 1 54 54 PHE C C 54 177.476 177.476 176.552 0.924 18224 8442 1 24 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.701 0.191 18224 8443 1 24 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.276 0.320 18224 8444 1 24 . 1 1 54 54 PHE H H 54 8.143 8.143 7.478 0.665 18224 8445 1 24 . 1 1 55 55 ARG N N 55 117.543 117.543 118.594 -1.051 18224 8446 1 24 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.059 -0.196 18224 8447 1 24 . 1 1 55 55 ARG C C 55 177.832 177.832 178.208 -0.376 18224 8448 1 24 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.694 0.012 18224 8449 1 24 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.946 -0.470 18224 8450 1 24 . 1 1 55 55 ARG H H 55 8.112 8.112 7.507 0.605 18224 8451 1 24 . 1 1 56 56 LYS N N 56 118.390 118.390 119.840 -1.450 18224 8452 1 24 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.037 0.126 18224 8453 1 24 . 1 1 56 56 LYS C C 56 177.400 177.400 179.155 -1.755 18224 8454 1 24 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.695 -0.985 18224 8455 1 24 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.028 0.751 18224 8456 1 24 . 1 1 56 56 LYS H H 56 7.789 7.789 7.500 0.289 18224 8457 1 24 . 1 1 57 57 LYS N N 57 118.190 118.190 121.601 -3.411 18224 8458 1 24 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.343 -0.084 18224 8459 1 24 . 1 1 57 57 LYS C C 57 176.791 176.791 175.916 0.875 18224 8460 1 24 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.111 1.314 18224 8461 1 24 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.089 1.734 18224 8462 1 24 . 1 1 57 57 LYS H H 57 7.821 7.821 7.703 0.118 18224 8463 1 24 . 1 1 58 58 GLY N N 58 107.289 107.289 108.805 -1.516 18224 8464 1 24 . 1 1 58 58 GLY C C 58 173.607 173.607 174.694 -1.087 18224 8465 1 24 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.078 0.396 18224 8466 1 24 . 1 1 58 58 GLY H H 58 7.927 7.927 7.578 0.349 18224 8467 1 24 . 1 1 59 59 HIS N N 59 116.847 116.847 121.272 -4.425 18224 8468 1 24 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.270 0.423 18224 8469 1 24 . 1 1 59 59 HIS C C 59 174.153 174.153 176.366 -2.213 18224 8470 1 24 . 1 1 59 59 HIS CA C 59 55.158 55.158 58.535 -3.377 18224 8471 1 24 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.124 -1.209 18224 8472 1 24 . 1 1 59 59 HIS H H 59 8.120 8.120 7.958 0.162 18224 8473 1 24 . 1 1 60 60 HIS N N 60 118.028 118.028 118.285 -0.257 18224 8474 1 24 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.302 0.390 18224 8475 1 24 . 1 1 60 60 HIS C C 60 173.987 173.987 175.356 -1.369 18224 8476 1 24 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.365 -0.858 18224 8477 1 24 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.166 -1.341 18224 8478 1 24 . 1 1 60 60 HIS H H 60 8.328 8.328 8.418 -0.090 18224 8479 1 24 . 1 1 61 61 HIS N N 61 118.101 118.101 125.090 -6.989 18224 8480 1 24 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.514 0.176 18224 8481 1 24 . 1 1 61 61 HIS C C 61 174.032 174.032 174.679 -0.647 18224 8482 1 24 . 1 1 61 61 HIS CA C 61 55.718 55.718 54.588 1.130 18224 8483 1 24 . 1 1 61 61 HIS CB C 61 28.895 28.895 27.275 1.620 18224 8484 1 24 . 1 1 61 61 HIS H H 61 8.351 8.351 8.060 0.291 18224 8485 1 24 . 1 1 62 62 HIS N N 62 118.704 118.704 121.436 -2.732 18224 8486 1 24 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.444 0.257 18224 8487 1 24 . 1 1 62 62 HIS C C 62 173.803 173.803 175.607 -1.804 18224 8488 1 24 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.072 -0.468 18224 8489 1 24 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.640 -1.477 18224 8490 1 24 . 1 1 62 62 HIS H H 62 8.381 8.381 8.285 0.096 18224 8491 1 24 . 1 1 63 63 HIS N N 63 118.853 118.853 123.284 -4.431 18224 8492 1 24 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.437 0.244 18224 8493 1 24 . 1 1 63 63 HIS C C 63 173.576 173.576 174.428 -0.852 18224 8494 1 24 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.448 -1.750 18224 8495 1 24 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.774 -0.641 18224 8496 1 24 . 1 1 63 63 HIS H H 63 8.299 8.299 8.411 -0.112 18224 8497 1 25 . 1 1 2 2 GLU N N 2 122.762 122.762 121.378 1.384 18224 8498 1 25 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.546 -0.108 18224 8499 1 25 . 1 1 2 2 GLU C C 2 175.581 175.581 175.525 0.056 18224 8500 1 25 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.759 -0.399 18224 8501 1 25 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.220 -0.638 18224 8502 1 25 . 1 1 2 2 GLU H H 2 8.628 8.628 8.553 0.075 18224 8503 1 25 . 1 1 3 3 GLU N N 3 121.071 121.071 125.440 -4.369 18224 8504 1 25 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.403 -0.022 18224 8505 1 25 . 1 1 3 3 GLU C C 3 176.457 176.457 176.604 -0.147 18224 8506 1 25 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.176 0.172 18224 8507 1 25 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.919 0.280 18224 8508 1 25 . 1 1 3 3 GLU H H 3 8.393 8.393 9.021 -0.628 18224 8509 1 25 . 1 1 4 4 GLY N N 4 109.717 109.717 108.252 1.465 18224 8510 1 25 . 1 1 4 4 GLY C C 4 174.677 174.677 174.323 0.354 18224 8511 1 25 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.636 1.005 18224 8512 1 25 . 1 1 4 4 GLY H H 4 8.377 8.377 7.471 0.906 18224 8513 1 25 . 1 1 5 5 GLY N N 5 108.373 108.373 109.246 -0.873 18224 8514 1 25 . 1 1 5 5 GLY C C 5 174.047 174.047 173.019 1.028 18224 8515 1 25 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.818 0.754 18224 8516 1 25 . 1 1 5 5 GLY H H 5 8.115 8.115 7.970 0.145 18224 8517 1 25 . 1 1 6 6 ASP N N 6 118.996 118.996 118.973 0.023 18224 8518 1 25 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.685 -0.036 18224 8519 1 25 . 1 1 6 6 ASP C C 6 175.903 175.903 175.120 0.783 18224 8520 1 25 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.600 0.445 18224 8521 1 25 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.614 -3.270 18224 8522 1 25 . 1 1 6 6 ASP H H 6 8.166 8.166 8.388 -0.222 18224 8523 1 25 . 1 1 7 7 PHE N N 7 119.750 119.750 120.750 -1.000 18224 8524 1 25 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.826 -0.276 18224 8525 1 25 . 1 1 7 7 PHE C C 7 175.919 175.919 174.366 1.553 18224 8526 1 25 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.689 0.243 18224 8527 1 25 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.104 -0.924 18224 8528 1 25 . 1 1 7 7 PHE H H 7 8.151 8.151 8.214 -0.063 18224 8529 1 25 . 1 1 8 8 ASP N N 8 118.526 118.526 126.261 -7.735 18224 8530 1 25 . 1 1 8 8 ASP HA H 8 4.498 4.498 3.944 0.554 18224 8531 1 25 . 1 1 8 8 ASP C C 8 175.787 175.787 174.622 1.165 18224 8532 1 25 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.538 0.097 18224 8533 1 25 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.848 -1.645 18224 8534 1 25 . 1 1 8 8 ASP H H 8 8.161 8.161 8.249 -0.088 18224 8535 1 25 . 1 1 9 9 ASN N N 9 117.291 117.291 117.756 -0.465 18224 8536 1 25 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.329 0.242 18224 8537 1 25 . 1 1 9 9 ASN C C 9 175.142 175.142 173.888 1.254 18224 8538 1 25 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.942 0.992 18224 8539 1 25 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.934 -0.142 18224 8540 1 25 . 1 1 9 9 ASN H H 9 8.013 8.013 7.597 0.416 18224 8541 1 25 . 1 1 10 10 TYR N N 10 119.112 119.112 122.146 -3.034 18224 8542 1 25 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.063 0.383 18224 8543 1 25 . 1 1 10 10 TYR C C 10 175.513 175.513 175.916 -0.403 18224 8544 1 25 . 1 1 10 10 TYR CA C 10 58.974 58.974 60.883 -1.909 18224 8545 1 25 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.422 0.461 18224 8546 1 25 . 1 1 10 10 TYR H H 10 7.848 7.848 8.204 -0.356 18224 8547 1 25 . 1 1 11 11 TYR N N 11 119.438 119.438 116.053 3.385 18224 8548 1 25 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.550 -0.043 18224 8549 1 25 . 1 1 11 11 TYR C C 11 175.939 175.939 175.913 0.026 18224 8550 1 25 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.346 0.951 18224 8551 1 25 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.175 0.792 18224 8552 1 25 . 1 1 11 11 TYR H H 11 7.849 7.849 7.226 0.623 18224 8553 1 25 . 1 1 12 12 GLY N N 12 109.685 109.685 107.835 1.850 18224 8554 1 25 . 1 1 12 12 GLY C C 12 174.099 174.099 174.334 -0.235 18224 8555 1 25 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.556 0.989 18224 8556 1 25 . 1 1 12 12 GLY H H 12 7.792 7.792 8.472 -0.680 18224 8557 1 25 . 1 1 13 13 ALA N N 13 123.072 123.072 123.852 -0.780 18224 8558 1 25 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.205 0.070 18224 8559 1 25 . 1 1 13 13 ALA C C 13 177.669 177.669 176.347 1.322 18224 8560 1 25 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.875 0.095 18224 8561 1 25 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.076 2.214 18224 8562 1 25 . 1 1 13 13 ALA H H 13 7.880 7.880 8.405 -0.525 18224 8563 1 25 . 1 1 14 14 ASP N N 14 117.540 117.540 122.127 -4.587 18224 8564 1 25 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.773 -0.124 18224 8565 1 25 . 1 1 14 14 ASP C C 14 175.649 175.649 174.667 0.982 18224 8566 1 25 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.590 0.374 18224 8567 1 25 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.583 -1.900 18224 8568 1 25 . 1 1 14 14 ASP H H 14 8.281 8.281 8.812 -0.531 18224 8569 1 25 . 1 1 15 15 ASN N N 15 118.400 118.400 116.996 1.404 18224 8570 1 25 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.730 -0.044 18224 8571 1 25 . 1 1 15 15 ASN C C 15 175.351 175.351 175.256 0.095 18224 8572 1 25 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.222 0.386 18224 8573 1 25 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.400 -0.458 18224 8574 1 25 . 1 1 15 15 ASN H H 15 8.137 8.137 8.019 0.118 18224 8575 1 25 . 1 1 16 16 GLN N N 16 120.072 120.072 118.879 1.193 18224 8576 1 25 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.035 0.325 18224 8577 1 25 . 1 1 16 16 GLN C C 16 176.206 176.206 174.850 1.356 18224 8578 1 25 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.105 0.298 18224 8579 1 25 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.035 2.134 18224 8580 1 25 . 1 1 16 16 GLN H H 16 8.284 8.284 8.269 0.015 18224 8581 1 25 . 1 1 17 17 SER N N 17 116.112 116.112 112.429 3.683 18224 8582 1 25 . 1 1 17 17 SER HA H 17 4.440 4.440 4.104 0.336 18224 8583 1 25 . 1 1 17 17 SER C C 17 174.568 174.568 175.448 -0.880 18224 8584 1 25 . 1 1 17 17 SER CA C 17 58.911 58.911 59.215 -0.304 18224 8585 1 25 . 1 1 17 17 SER CB C 17 63.897 63.897 63.237 0.660 18224 8586 1 25 . 1 1 17 17 SER H H 17 8.211 8.211 7.993 0.218 18224 8587 1 25 . 1 1 18 18 GLU N N 18 121.378 121.378 125.126 -3.748 18224 8588 1 25 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.132 0.247 18224 8589 1 25 . 1 1 18 18 GLU C C 18 175.934 175.934 176.540 -0.606 18224 8590 1 25 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.965 -0.559 18224 8591 1 25 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.934 0.199 18224 8592 1 25 . 1 1 18 18 GLU H H 18 8.262 8.262 8.733 -0.471 18224 8593 1 25 . 1 1 19 19 CYS N N 19 119.418 119.418 123.858 -4.440 18224 8594 1 25 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.578 -0.134 18224 8595 1 25 . 1 1 19 19 CYS C C 19 174.568 174.568 174.215 0.353 18224 8596 1 25 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.090 0.749 18224 8597 1 25 . 1 1 19 19 CYS CB C 19 27.973 27.973 26.325 1.648 18224 8598 1 25 . 1 1 19 19 CYS H H 19 8.182 8.182 8.379 -0.197 18224 8599 1 25 . 1 1 20 20 GLU N N 20 122.737 122.737 118.483 4.254 18224 8600 1 25 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.344 -0.037 18224 8601 1 25 . 1 1 20 20 GLU C C 20 176.083 176.083 177.362 -1.279 18224 8602 1 25 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.004 -0.464 18224 8603 1 25 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.774 -1.909 18224 8604 1 25 . 1 1 20 20 GLU H H 20 8.303 8.303 8.150 0.153 18224 8605 1 25 . 1 1 21 21 TYR N N 21 119.549 119.549 119.383 0.166 18224 8606 1 25 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.909 0.565 18224 8607 1 25 . 1 1 21 21 TYR C C 21 175.826 175.826 174.131 1.695 18224 8608 1 25 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.539 -0.868 18224 8609 1 25 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.632 0.957 18224 8610 1 25 . 1 1 21 21 TYR H H 21 7.888 7.888 8.168 -0.280 18224 8611 1 25 . 1 1 22 22 THR N N 22 112.218 112.218 110.560 1.658 18224 8612 1 25 . 1 1 22 22 THR HA H 22 4.163 4.163 3.258 0.905 18224 8613 1 25 . 1 1 22 22 THR C C 22 174.737 174.737 173.586 1.151 18224 8614 1 25 . 1 1 22 22 THR CA C 22 62.778 62.778 62.397 0.381 18224 8615 1 25 . 1 1 22 22 THR CB C 22 69.531 69.531 68.774 0.757 18224 8616 1 25 . 1 1 22 22 THR H H 22 7.683 7.683 7.277 0.406 18224 8617 1 25 . 1 1 23 23 ASP N N 23 121.090 121.090 121.262 -0.172 18224 8618 1 25 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.755 -0.044 18224 8619 1 25 . 1 1 23 23 ASP C C 23 176.279 176.279 175.495 0.784 18224 8620 1 25 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.737 0.373 18224 8621 1 25 . 1 1 23 23 ASP CB C 23 39.338 39.338 41.656 -2.318 18224 8622 1 25 . 1 1 23 23 ASP H H 23 8.059 8.059 7.769 0.290 18224 8623 1 25 . 1 1 24 24 TRP N N 24 121.546 121.546 121.304 0.242 18224 8624 1 25 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.368 0.118 18224 8625 1 25 . 1 1 24 24 TRP C C 24 177.051 177.051 176.678 0.373 18224 8626 1 25 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.951 0.877 18224 8627 1 25 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.787 1.282 18224 8628 1 25 . 1 1 24 24 TRP H H 24 7.888 7.888 7.148 0.740 18224 8629 1 25 . 1 1 25 25 LYS N N 25 120.106 120.106 120.544 -0.438 18224 8630 1 25 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.225 -0.235 18224 8631 1 25 . 1 1 25 25 LYS C C 25 176.764 176.764 175.884 0.880 18224 8632 1 25 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.516 0.206 18224 8633 1 25 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.595 1.706 18224 8634 1 25 . 1 1 25 25 LYS H H 25 7.620 7.620 8.144 -0.524 18224 8635 1 25 . 1 1 26 26 SER N N 26 114.114 114.114 118.028 -3.914 18224 8636 1 25 . 1 1 26 26 SER HA H 26 4.471 4.471 4.614 -0.142 18224 8637 1 25 . 1 1 26 26 SER C C 26 175.124 175.124 173.799 1.325 18224 8638 1 25 . 1 1 26 26 SER CA C 26 58.757 58.757 58.919 -0.162 18224 8639 1 25 . 1 1 26 26 SER CB C 26 63.812 63.812 64.456 -0.644 18224 8640 1 25 . 1 1 26 26 SER H H 26 7.796 7.796 8.585 -0.789 18224 8641 1 25 . 1 1 27 27 SER N N 27 116.655 116.655 115.270 1.385 18224 8642 1 25 . 1 1 27 27 SER HA H 27 4.386 4.386 4.602 -0.216 18224 8643 1 25 . 1 1 27 27 SER C C 27 175.505 175.505 174.514 0.991 18224 8644 1 25 . 1 1 27 27 SER CA C 27 59.611 59.611 58.951 0.660 18224 8645 1 25 . 1 1 27 27 SER CB C 27 64.117 64.117 64.498 -0.381 18224 8646 1 25 . 1 1 27 27 SER H H 27 8.046 8.046 7.830 0.216 18224 8647 1 25 . 1 1 28 28 GLY N N 28 111.049 111.049 107.904 3.145 18224 8648 1 25 . 1 1 28 28 GLY C C 28 174.495 174.495 174.091 0.404 18224 8649 1 25 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.044 1.077 18224 8650 1 25 . 1 1 28 28 GLY H H 28 8.304 8.304 7.791 0.513 18224 8651 1 25 . 1 1 29 29 ALA N N 29 121.693 121.693 121.710 -0.017 18224 8652 1 25 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.557 -0.208 18224 8653 1 25 . 1 1 29 29 ALA C C 29 177.695 177.695 176.740 0.955 18224 8654 1 25 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.382 0.729 18224 8655 1 25 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.705 1.259 18224 8656 1 25 . 1 1 29 29 ALA H H 29 7.941 7.941 8.254 -0.313 18224 8657 1 25 . 1 1 30 30 LEU N N 30 117.996 117.996 114.463 3.533 18224 8658 1 25 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.668 -0.486 18224 8659 1 25 . 1 1 30 30 LEU C C 30 177.484 177.484 177.993 -0.509 18224 8660 1 25 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.238 1.732 18224 8661 1 25 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.566 -0.144 18224 8662 1 25 . 1 1 30 30 LEU H H 30 7.968 7.968 7.446 0.522 18224 8663 1 25 . 1 1 31 31 ILE N N 31 117.106 117.106 121.761 -4.655 18224 8664 1 25 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.144 -0.205 18224 8665 1 25 . 1 1 31 31 ILE C C 31 174.998 174.998 175.061 -0.063 18224 8666 1 25 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.464 1.458 18224 8667 1 25 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.339 -0.231 18224 8668 1 25 . 1 1 31 31 ILE H H 31 8.027 8.027 8.413 -0.386 18224 8669 1 25 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.331 -0.047 18224 8670 1 25 . 1 1 32 32 PRO C C 32 178.663 178.663 178.291 0.372 18224 8671 1 25 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.781 0.212 18224 8672 1 25 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.941 0.115 18224 8673 1 25 . 1 1 33 33 ALA N N 33 119.031 119.031 118.265 0.766 18224 8674 1 25 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.231 -0.065 18224 8675 1 25 . 1 1 33 33 ALA C C 33 178.942 178.942 179.947 -1.005 18224 8676 1 25 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.797 0.744 18224 8677 1 25 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.295 0.190 18224 8678 1 25 . 1 1 33 33 ALA H H 33 7.580 7.580 8.578 -0.998 18224 8679 1 25 . 1 1 34 34 ILE N N 34 117.923 117.923 116.423 1.500 18224 8680 1 25 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.984 -0.285 18224 8681 1 25 . 1 1 34 34 ILE C C 34 177.833 177.833 176.234 1.599 18224 8682 1 25 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.771 2.341 18224 8683 1 25 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.224 -0.873 18224 8684 1 25 . 1 1 34 34 ILE H H 34 8.234 8.234 7.522 0.712 18224 8685 1 25 . 1 1 35 35 TYR N N 35 118.746 118.746 119.649 -0.903 18224 8686 1 25 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.333 -0.218 18224 8687 1 25 . 1 1 35 35 TYR C C 35 178.044 178.044 177.188 0.856 18224 8688 1 25 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.348 0.410 18224 8689 1 25 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.691 -1.676 18224 8690 1 25 . 1 1 35 35 TYR H H 35 8.355 8.355 7.629 0.726 18224 8691 1 25 . 1 1 36 36 MET N N 36 117.813 117.813 117.593 0.220 18224 8692 1 25 . 1 1 36 36 MET HA H 36 4.281 4.281 4.461 -0.180 18224 8693 1 25 . 1 1 36 36 MET C C 36 178.139 178.139 178.370 -0.231 18224 8694 1 25 . 1 1 36 36 MET CA C 36 58.482 58.482 58.715 -0.233 18224 8695 1 25 . 1 1 36 36 MET CB C 36 31.716 31.716 32.688 -0.972 18224 8696 1 25 . 1 1 36 36 MET H H 36 8.107 8.107 8.260 -0.153 18224 8697 1 25 . 1 1 37 37 LEU N N 37 120.311 120.311 120.680 -0.369 18224 8698 1 25 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.118 -0.043 18224 8699 1 25 . 1 1 37 37 LEU C C 37 178.399 178.399 177.802 0.597 18224 8700 1 25 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.011 0.459 18224 8701 1 25 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.653 0.300 18224 8702 1 25 . 1 1 37 37 LEU H H 37 8.229 8.229 7.948 0.281 18224 8703 1 25 . 1 1 38 38 VAL N N 38 118.080 118.080 116.598 1.482 18224 8704 1 25 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.977 -0.452 18224 8705 1 25 . 1 1 38 38 VAL C C 38 178.139 178.139 176.948 1.191 18224 8706 1 25 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.999 3.152 18224 8707 1 25 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.511 -1.061 18224 8708 1 25 . 1 1 38 38 VAL H H 38 8.363 8.363 7.390 0.973 18224 8709 1 25 . 1 1 39 39 PHE N N 39 120.151 120.151 122.444 -2.293 18224 8710 1 25 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.437 -0.214 18224 8711 1 25 . 1 1 39 39 PHE C C 39 178.544 178.544 176.943 1.601 18224 8712 1 25 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.494 -0.168 18224 8713 1 25 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.895 -1.979 18224 8714 1 25 . 1 1 39 39 PHE H H 39 8.306 8.306 8.241 0.065 18224 8715 1 25 . 1 1 40 40 LEU N N 40 121.004 121.004 119.183 1.821 18224 8716 1 25 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.194 -0.171 18224 8717 1 25 . 1 1 40 40 LEU C C 40 179.704 179.704 177.649 2.055 18224 8718 1 25 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.624 0.314 18224 8719 1 25 . 1 1 40 40 LEU CB C 40 42.292 42.292 40.885 1.407 18224 8720 1 25 . 1 1 40 40 LEU H H 40 8.567 8.567 8.256 0.311 18224 8721 1 25 . 1 1 41 41 LEU N N 41 119.593 119.593 117.880 1.713 18224 8722 1 25 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.131 -0.070 18224 8723 1 25 . 1 1 41 41 LEU C C 41 178.966 178.966 178.279 0.687 18224 8724 1 25 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.305 1.391 18224 8725 1 25 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.948 -0.156 18224 8726 1 25 . 1 1 41 41 LEU H H 41 8.503 8.503 7.515 0.988 18224 8727 1 25 . 1 1 42 42 GLY N N 42 105.838 105.838 103.214 2.624 18224 8728 1 25 . 1 1 42 42 GLY C C 42 175.587 175.587 174.055 1.532 18224 8729 1 25 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.300 1.270 18224 8730 1 25 . 1 1 42 42 GLY H H 42 8.355 8.355 7.658 0.697 18224 8731 1 25 . 1 1 43 43 THR N N 43 112.333 112.333 113.243 -0.910 18224 8732 1 25 . 1 1 43 43 THR HA H 43 4.290 4.290 4.575 -0.285 18224 8733 1 25 . 1 1 43 43 THR C C 43 175.765 175.765 173.869 1.896 18224 8734 1 25 . 1 1 43 43 THR CA C 43 63.680 63.680 61.525 2.155 18224 8735 1 25 . 1 1 43 43 THR CB C 43 69.626 69.626 70.171 -0.545 18224 8736 1 25 . 1 1 43 43 THR H H 43 7.895 7.895 6.919 0.976 18224 8737 1 25 . 1 1 44 44 THR N N 44 112.041 112.041 117.442 -5.401 18224 8738 1 25 . 1 1 44 44 THR HA H 44 4.388 4.388 4.001 0.387 18224 8739 1 25 . 1 1 44 44 THR C C 44 175.555 175.555 174.432 1.123 18224 8740 1 25 . 1 1 44 44 THR CA C 44 62.732 62.732 65.080 -2.348 18224 8741 1 25 . 1 1 44 44 THR CB C 44 70.240 70.240 68.243 1.998 18224 8742 1 25 . 1 1 44 44 THR H H 44 7.684 7.684 8.449 -0.765 18224 8743 1 25 . 1 1 45 45 GLY N N 45 109.756 109.756 110.317 -0.561 18224 8744 1 25 . 1 1 45 45 GLY C C 45 174.948 174.948 172.279 2.669 18224 8745 1 25 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.969 1.383 18224 8746 1 25 . 1 1 45 45 GLY H H 45 8.058 8.058 8.377 -0.319 18224 8747 1 25 . 1 1 46 46 ASN N N 46 117.561 117.561 117.573 -0.012 18224 8748 1 25 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.823 0.022 18224 8749 1 25 . 1 1 46 46 ASN C C 46 175.853 175.853 175.969 -0.116 18224 8750 1 25 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.703 1.389 18224 8751 1 25 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.636 -0.123 18224 8752 1 25 . 1 1 46 46 ASN H H 46 8.202 8.202 7.708 0.494 18224 8753 1 25 . 1 1 47 47 GLY N N 47 108.715 108.715 114.528 -5.813 18224 8754 1 25 . 1 1 47 47 GLY C C 47 174.431 174.431 175.409 -0.978 18224 8755 1 25 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.908 0.253 18224 8756 1 25 . 1 1 47 47 GLY H H 47 8.600 8.600 8.810 -0.210 18224 8757 1 25 . 1 1 48 48 LEU N N 48 120.089 120.089 122.339 -2.250 18224 8758 1 25 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.179 0.140 18224 8759 1 25 . 1 1 48 48 LEU C C 48 179.243 179.243 178.806 0.437 18224 8760 1 25 . 1 1 48 48 LEU CA C 48 57.316 57.316 58.628 -1.312 18224 8761 1 25 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.993 -0.155 18224 8762 1 25 . 1 1 48 48 LEU H H 48 8.003 8.003 8.228 -0.225 18224 8763 1 25 . 1 1 49 49 VAL N N 49 120.573 120.573 117.733 2.840 18224 8764 1 25 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.628 0.193 18224 8765 1 25 . 1 1 49 49 VAL C C 49 177.520 177.520 177.992 -0.472 18224 8766 1 25 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.946 -0.884 18224 8767 1 25 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.592 -0.104 18224 8768 1 25 . 1 1 49 49 VAL H H 49 7.910 7.910 8.267 -0.357 18224 8769 1 25 . 1 1 50 50 LEU N N 50 119.718 119.718 118.793 0.925 18224 8770 1 25 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.074 -0.047 18224 8771 1 25 . 1 1 50 50 LEU C C 50 178.169 178.169 178.822 -0.653 18224 8772 1 25 . 1 1 50 50 LEU CA C 50 58.052 58.052 58.083 -0.031 18224 8773 1 25 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.541 0.201 18224 8774 1 25 . 1 1 50 50 LEU H H 50 7.860 7.860 7.456 0.404 18224 8775 1 25 . 1 1 51 51 TRP N N 51 118.071 118.071 120.630 -2.559 18224 8776 1 25 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.231 0.311 18224 8777 1 25 . 1 1 51 51 TRP C C 51 177.296 177.296 177.254 0.042 18224 8778 1 25 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.283 -0.366 18224 8779 1 25 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.028 0.947 18224 8780 1 25 . 1 1 51 51 TRP H H 51 8.109 8.109 8.766 -0.657 18224 8781 1 25 . 1 1 52 52 THR N N 52 113.243 113.243 114.027 -0.784 18224 8782 1 25 . 1 1 52 52 THR HA H 52 3.773 3.773 3.884 -0.111 18224 8783 1 25 . 1 1 52 52 THR C C 52 176.402 176.402 176.818 -0.416 18224 8784 1 25 . 1 1 52 52 THR CA C 52 66.690 66.690 65.881 0.809 18224 8785 1 25 . 1 1 52 52 THR CB C 52 68.921 68.921 68.977 -0.056 18224 8786 1 25 . 1 1 52 52 THR H H 52 8.072 8.072 8.200 -0.128 18224 8787 1 25 . 1 1 53 53 VAL N N 53 120.307 120.307 121.928 -1.621 18224 8788 1 25 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.727 -0.064 18224 8789 1 25 . 1 1 53 53 VAL C C 53 177.362 177.362 176.252 1.110 18224 8790 1 25 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.212 1.080 18224 8791 1 25 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.206 0.511 18224 8792 1 25 . 1 1 53 53 VAL H H 53 8.006 8.006 7.777 0.229 18224 8793 1 25 . 1 1 54 54 PHE N N 54 119.041 119.041 117.521 1.520 18224 8794 1 25 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.695 -0.467 18224 8795 1 25 . 1 1 54 54 PHE C C 54 177.476 177.476 175.473 2.003 18224 8796 1 25 . 1 1 54 54 PHE CA C 54 60.892 60.892 57.663 3.229 18224 8797 1 25 . 1 1 54 54 PHE CB C 54 38.596 38.596 40.053 -1.457 18224 8798 1 25 . 1 1 54 54 PHE H H 54 8.143 8.143 7.311 0.832 18224 8799 1 25 . 1 1 55 55 ARG N N 55 117.543 117.543 118.426 -0.883 18224 8800 1 25 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.144 -0.281 18224 8801 1 25 . 1 1 55 55 ARG C C 55 177.832 177.832 177.954 -0.122 18224 8802 1 25 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.915 0.791 18224 8803 1 25 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.696 -1.220 18224 8804 1 25 . 1 1 55 55 ARG H H 55 8.112 8.112 8.033 0.079 18224 8805 1 25 . 1 1 56 56 LYS N N 56 118.390 118.390 118.547 -0.157 18224 8806 1 25 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.236 -0.073 18224 8807 1 25 . 1 1 56 56 LYS C C 56 177.400 177.400 177.526 -0.126 18224 8808 1 25 . 1 1 56 56 LYS CA C 56 57.710 57.710 57.807 -0.097 18224 8809 1 25 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.298 0.481 18224 8810 1 25 . 1 1 56 56 LYS H H 56 7.789 7.789 7.530 0.259 18224 8811 1 25 . 1 1 57 57 LYS N N 57 118.190 118.190 119.515 -1.325 18224 8812 1 25 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.456 -0.197 18224 8813 1 25 . 1 1 57 57 LYS C C 57 176.791 176.791 176.245 0.546 18224 8814 1 25 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.016 1.409 18224 8815 1 25 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.465 2.358 18224 8816 1 25 . 1 1 57 57 LYS H H 57 7.821 7.821 8.018 -0.197 18224 8817 1 25 . 1 1 58 58 GLY N N 58 107.289 107.289 108.125 -0.836 18224 8818 1 25 . 1 1 58 58 GLY C C 58 173.607 173.607 174.347 -0.740 18224 8819 1 25 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.441 1.033 18224 8820 1 25 . 1 1 58 58 GLY H H 58 7.927 7.927 7.251 0.676 18224 8821 1 25 . 1 1 59 59 HIS N N 59 116.847 116.847 119.681 -2.834 18224 8822 1 25 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.372 0.321 18224 8823 1 25 . 1 1 59 59 HIS C C 59 174.153 174.153 175.621 -1.468 18224 8824 1 25 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.389 -1.231 18224 8825 1 25 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.040 -1.125 18224 8826 1 25 . 1 1 59 59 HIS H H 59 8.120 8.120 7.589 0.531 18224 8827 1 25 . 1 1 60 60 HIS N N 60 118.028 118.028 119.222 -1.194 18224 8828 1 25 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.361 0.331 18224 8829 1 25 . 1 1 60 60 HIS C C 60 173.987 173.987 174.848 -0.861 18224 8830 1 25 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.362 -0.854 18224 8831 1 25 . 1 1 60 60 HIS CB C 60 28.825 28.825 28.973 -0.148 18224 8832 1 25 . 1 1 60 60 HIS H H 60 8.328 8.328 8.035 0.293 18224 8833 1 25 . 1 1 61 61 HIS N N 61 118.101 118.101 123.724 -5.623 18224 8834 1 25 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.876 -0.186 18224 8835 1 25 . 1 1 61 61 HIS C C 61 174.032 174.032 175.392 -1.360 18224 8836 1 25 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.928 -0.211 18224 8837 1 25 . 1 1 61 61 HIS CB C 61 28.895 28.895 31.348 -2.453 18224 8838 1 25 . 1 1 61 61 HIS H H 61 8.351 8.351 8.599 -0.248 18224 8839 1 25 . 1 1 62 62 HIS N N 62 118.704 118.704 122.367 -3.663 18224 8840 1 25 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.779 -0.078 18224 8841 1 25 . 1 1 62 62 HIS C C 62 173.803 173.803 173.517 0.286 18224 8842 1 25 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.220 -0.616 18224 8843 1 25 . 1 1 62 62 HIS CB C 62 29.163 29.163 31.082 -1.919 18224 8844 1 25 . 1 1 62 62 HIS H H 62 8.381 8.381 8.823 -0.442 18224 8845 1 25 . 1 1 63 63 HIS N N 63 118.853 118.853 121.897 -3.044 18224 8846 1 25 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.269 0.412 18224 8847 1 25 . 1 1 63 63 HIS C C 63 173.576 173.576 174.395 -0.819 18224 8848 1 25 . 1 1 63 63 HIS CA C 63 55.698 55.698 54.985 0.713 18224 8849 1 25 . 1 1 63 63 HIS CB C 63 29.133 29.133 31.261 -2.128 18224 8850 1 25 . 1 1 63 63 HIS H H 63 8.299 8.299 8.761 -0.462 18224 8851 1 26 . 1 1 2 2 GLU N N 2 122.762 122.762 121.505 1.257 18224 8852 1 26 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.668 -0.230 18224 8853 1 26 . 1 1 2 2 GLU C C 2 175.581 175.581 174.888 0.693 18224 8854 1 26 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.303 0.057 18224 8855 1 26 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.252 -0.670 18224 8856 1 26 . 1 1 2 2 GLU H H 2 8.628 8.628 8.551 0.077 18224 8857 1 26 . 1 1 3 3 GLU N N 3 121.071 121.071 123.060 -1.989 18224 8858 1 26 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.323 0.058 18224 8859 1 26 . 1 1 3 3 GLU C C 3 176.457 176.457 176.308 0.149 18224 8860 1 26 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.572 -0.224 18224 8861 1 26 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.944 -0.745 18224 8862 1 26 . 1 1 3 3 GLU H H 3 8.393 8.393 8.513 -0.120 18224 8863 1 26 . 1 1 4 4 GLY N N 4 109.717 109.717 111.125 -1.408 18224 8864 1 26 . 1 1 4 4 GLY C C 4 174.677 174.677 175.256 -0.579 18224 8865 1 26 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.049 0.592 18224 8866 1 26 . 1 1 4 4 GLY H H 4 8.377 8.377 8.811 -0.434 18224 8867 1 26 . 1 1 5 5 GLY N N 5 108.373 108.373 107.768 0.605 18224 8868 1 26 . 1 1 5 5 GLY C C 5 174.047 174.047 175.337 -1.290 18224 8869 1 26 . 1 1 5 5 GLY CA C 5 45.572 45.572 46.915 -1.343 18224 8870 1 26 . 1 1 5 5 GLY H H 5 8.115 8.115 8.652 -0.537 18224 8871 1 26 . 1 1 6 6 ASP N N 6 118.996 118.996 118.720 0.276 18224 8872 1 26 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.979 -0.330 18224 8873 1 26 . 1 1 6 6 ASP C C 6 175.903 175.903 175.025 0.878 18224 8874 1 26 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.415 0.630 18224 8875 1 26 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.728 -3.385 18224 8876 1 26 . 1 1 6 6 ASP H H 6 8.166 8.166 7.977 0.189 18224 8877 1 26 . 1 1 7 7 PHE N N 7 119.750 119.750 117.904 1.846 18224 8878 1 26 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.651 -0.101 18224 8879 1 26 . 1 1 7 7 PHE C C 7 175.919 175.919 174.433 1.486 18224 8880 1 26 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.329 1.603 18224 8881 1 26 . 1 1 7 7 PHE CB C 7 39.180 39.180 42.237 -3.057 18224 8882 1 26 . 1 1 7 7 PHE H H 7 8.151 8.151 8.015 0.136 18224 8883 1 26 . 1 1 8 8 ASP N N 8 118.526 118.526 121.975 -3.449 18224 8884 1 26 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.750 -0.252 18224 8885 1 26 . 1 1 8 8 ASP C C 8 175.787 175.787 175.096 0.691 18224 8886 1 26 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.316 0.319 18224 8887 1 26 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.098 -1.895 18224 8888 1 26 . 1 1 8 8 ASP H H 8 8.161 8.161 8.229 -0.068 18224 8889 1 26 . 1 1 9 9 ASN N N 9 117.291 117.291 117.774 -0.483 18224 8890 1 26 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.491 0.080 18224 8891 1 26 . 1 1 9 9 ASN C C 9 175.142 175.142 174.511 0.631 18224 8892 1 26 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.816 0.117 18224 8893 1 26 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.138 0.654 18224 8894 1 26 . 1 1 9 9 ASN H H 9 8.013 8.013 8.530 -0.517 18224 8895 1 26 . 1 1 10 10 TYR N N 10 119.112 119.112 118.901 0.211 18224 8896 1 26 . 1 1 10 10 TYR HA H 10 4.446 4.446 3.923 0.523 18224 8897 1 26 . 1 1 10 10 TYR C C 10 175.513 175.513 175.541 -0.028 18224 8898 1 26 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.818 0.156 18224 8899 1 26 . 1 1 10 10 TYR CB C 10 38.883 38.883 36.809 2.074 18224 8900 1 26 . 1 1 10 10 TYR H H 10 7.848 7.848 7.921 -0.073 18224 8901 1 26 . 1 1 11 11 TYR N N 11 119.438 119.438 121.385 -1.947 18224 8902 1 26 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.342 0.165 18224 8903 1 26 . 1 1 11 11 TYR C C 11 175.939 175.939 175.199 0.740 18224 8904 1 26 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.764 0.534 18224 8905 1 26 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.794 0.173 18224 8906 1 26 . 1 1 11 11 TYR H H 11 7.849 7.849 7.553 0.296 18224 8907 1 26 . 1 1 12 12 GLY N N 12 109.685 109.685 106.519 3.166 18224 8908 1 26 . 1 1 12 12 GLY C C 12 174.099 174.099 173.323 0.776 18224 8909 1 26 . 1 1 12 12 GLY CA C 12 45.545 45.545 46.006 -0.461 18224 8910 1 26 . 1 1 12 12 GLY H H 12 7.792 7.792 8.785 -0.993 18224 8911 1 26 . 1 1 13 13 ALA N N 13 123.072 123.072 125.013 -1.941 18224 8912 1 26 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.305 -0.030 18224 8913 1 26 . 1 1 13 13 ALA C C 13 177.669 177.669 176.394 1.275 18224 8914 1 26 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.459 0.511 18224 8915 1 26 . 1 1 13 13 ALA CB C 13 19.290 19.290 16.951 2.340 18224 8916 1 26 . 1 1 13 13 ALA H H 13 7.880 7.880 8.359 -0.479 18224 8917 1 26 . 1 1 14 14 ASP N N 14 117.540 117.540 120.906 -3.366 18224 8918 1 26 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.730 -0.081 18224 8919 1 26 . 1 1 14 14 ASP C C 14 175.649 175.649 174.556 1.093 18224 8920 1 26 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.437 0.527 18224 8921 1 26 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.979 -2.296 18224 8922 1 26 . 1 1 14 14 ASP H H 14 8.281 8.281 8.271 0.010 18224 8923 1 26 . 1 1 15 15 ASN N N 15 118.400 118.400 119.125 -0.725 18224 8924 1 26 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.661 0.025 18224 8925 1 26 . 1 1 15 15 ASN C C 15 175.351 175.351 175.205 0.146 18224 8926 1 26 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.798 -0.190 18224 8927 1 26 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.155 -0.213 18224 8928 1 26 . 1 1 15 15 ASN H H 15 8.137 8.137 8.247 -0.110 18224 8929 1 26 . 1 1 16 16 GLN N N 16 120.072 120.072 119.808 0.264 18224 8930 1 26 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.007 0.353 18224 8931 1 26 . 1 1 16 16 GLN C C 16 176.206 176.206 174.513 1.693 18224 8932 1 26 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.749 -0.347 18224 8933 1 26 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.105 2.063 18224 8934 1 26 . 1 1 16 16 GLN H H 16 8.284 8.284 8.398 -0.114 18224 8935 1 26 . 1 1 17 17 SER N N 17 116.112 116.112 114.283 1.829 18224 8936 1 26 . 1 1 17 17 SER HA H 17 4.440 4.440 4.649 -0.209 18224 8937 1 26 . 1 1 17 17 SER C C 17 174.568 174.568 173.319 1.249 18224 8938 1 26 . 1 1 17 17 SER CA C 17 58.911 58.911 57.695 1.216 18224 8939 1 26 . 1 1 17 17 SER CB C 17 63.897 63.897 64.092 -0.195 18224 8940 1 26 . 1 1 17 17 SER H H 17 8.211 8.211 7.770 0.441 18224 8941 1 26 . 1 1 18 18 GLU N N 18 121.378 121.378 125.389 -4.011 18224 8942 1 26 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.489 -0.110 18224 8943 1 26 . 1 1 18 18 GLU C C 18 175.934 175.934 174.864 1.070 18224 8944 1 26 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.243 0.163 18224 8945 1 26 . 1 1 18 18 GLU CB C 18 29.133 29.133 31.354 -2.221 18224 8946 1 26 . 1 1 18 18 GLU H H 18 8.262 8.262 8.654 -0.392 18224 8947 1 26 . 1 1 19 19 CYS N N 19 119.418 119.418 124.413 -4.995 18224 8948 1 26 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.599 -0.155 18224 8949 1 26 . 1 1 19 19 CYS C C 19 174.568 174.568 174.273 0.295 18224 8950 1 26 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.824 -0.985 18224 8951 1 26 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.067 -1.094 18224 8952 1 26 . 1 1 19 19 CYS H H 19 8.182 8.182 8.693 -0.511 18224 8953 1 26 . 1 1 20 20 GLU N N 20 122.737 122.737 123.171 -0.434 18224 8954 1 26 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.957 0.350 18224 8955 1 26 . 1 1 20 20 GLU C C 20 176.083 176.083 176.281 -0.198 18224 8956 1 26 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.562 -1.022 18224 8957 1 26 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.768 -0.902 18224 8958 1 26 . 1 1 20 20 GLU H H 20 8.303 8.303 8.790 -0.487 18224 8959 1 26 . 1 1 21 21 TYR N N 21 119.549 119.549 114.487 5.062 18224 8960 1 26 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.289 0.185 18224 8961 1 26 . 1 1 21 21 TYR C C 21 175.826 175.826 174.146 1.680 18224 8962 1 26 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.275 -0.604 18224 8963 1 26 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.550 1.039 18224 8964 1 26 . 1 1 21 21 TYR H H 21 7.888 7.888 8.289 -0.401 18224 8965 1 26 . 1 1 22 22 THR N N 22 112.218 112.218 112.128 0.090 18224 8966 1 26 . 1 1 22 22 THR HA H 22 4.163 4.163 3.126 1.037 18224 8967 1 26 . 1 1 22 22 THR C C 22 174.737 174.737 173.955 0.782 18224 8968 1 26 . 1 1 22 22 THR CA C 22 62.778 62.778 63.525 -0.747 18224 8969 1 26 . 1 1 22 22 THR CB C 22 69.531 69.531 68.522 1.010 18224 8970 1 26 . 1 1 22 22 THR H H 22 7.683 7.683 7.059 0.624 18224 8971 1 26 . 1 1 23 23 ASP N N 23 121.090 121.090 119.976 1.114 18224 8972 1 26 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.591 0.120 18224 8973 1 26 . 1 1 23 23 ASP C C 23 176.279 176.279 176.874 -0.595 18224 8974 1 26 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.307 1.802 18224 8975 1 26 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.390 -1.052 18224 8976 1 26 . 1 1 23 23 ASP H H 23 8.059 8.059 7.288 0.771 18224 8977 1 26 . 1 1 24 24 TRP N N 24 121.546 121.546 120.824 0.722 18224 8978 1 26 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.375 0.111 18224 8979 1 26 . 1 1 24 24 TRP C C 24 177.051 177.051 177.203 -0.152 18224 8980 1 26 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.963 0.865 18224 8981 1 26 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.015 1.053 18224 8982 1 26 . 1 1 24 24 TRP H H 24 7.888 7.888 6.880 1.008 18224 8983 1 26 . 1 1 25 25 LYS N N 25 120.106 120.106 120.287 -0.181 18224 8984 1 26 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.442 -0.452 18224 8985 1 26 . 1 1 25 25 LYS C C 25 176.764 176.764 175.904 0.860 18224 8986 1 26 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.736 0.986 18224 8987 1 26 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.653 1.648 18224 8988 1 26 . 1 1 25 25 LYS H H 25 7.620 7.620 8.010 -0.390 18224 8989 1 26 . 1 1 26 26 SER N N 26 114.114 114.114 119.584 -5.470 18224 8990 1 26 . 1 1 26 26 SER HA H 26 4.471 4.471 4.544 -0.073 18224 8991 1 26 . 1 1 26 26 SER C C 26 175.124 175.124 175.028 0.096 18224 8992 1 26 . 1 1 26 26 SER CA C 26 58.757 58.757 59.938 -1.181 18224 8993 1 26 . 1 1 26 26 SER CB C 26 63.812 63.812 64.030 -0.218 18224 8994 1 26 . 1 1 26 26 SER H H 26 7.796 7.796 8.502 -0.706 18224 8995 1 26 . 1 1 27 27 SER N N 27 116.655 116.655 114.510 2.145 18224 8996 1 26 . 1 1 27 27 SER HA H 27 4.386 4.386 4.651 -0.265 18224 8997 1 26 . 1 1 27 27 SER C C 27 175.505 175.505 174.757 0.748 18224 8998 1 26 . 1 1 27 27 SER CA C 27 59.611 59.611 58.394 1.217 18224 8999 1 26 . 1 1 27 27 SER CB C 27 64.117 64.117 63.811 0.306 18224 9000 1 26 . 1 1 27 27 SER H H 27 8.046 8.046 8.171 -0.125 18224 9001 1 26 . 1 1 28 28 GLY N N 28 111.049 111.049 109.772 1.277 18224 9002 1 26 . 1 1 28 28 GLY C C 28 174.495 174.495 175.048 -0.553 18224 9003 1 26 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.806 0.315 18224 9004 1 26 . 1 1 28 28 GLY H H 28 8.304 8.304 8.789 -0.485 18224 9005 1 26 . 1 1 29 29 ALA N N 29 121.693 121.693 119.268 2.425 18224 9006 1 26 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.883 0.466 18224 9007 1 26 . 1 1 29 29 ALA C C 29 177.695 177.695 177.228 0.467 18224 9008 1 26 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.616 -0.505 18224 9009 1 26 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.157 1.807 18224 9010 1 26 . 1 1 29 29 ALA H H 29 7.941 7.941 8.105 -0.164 18224 9011 1 26 . 1 1 30 30 LEU N N 30 117.996 117.996 118.926 -0.930 18224 9012 1 26 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.482 -0.300 18224 9013 1 26 . 1 1 30 30 LEU C C 30 177.484 177.484 176.335 1.149 18224 9014 1 26 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.463 2.507 18224 9015 1 26 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.855 0.567 18224 9016 1 26 . 1 1 30 30 LEU H H 30 7.968 7.968 7.814 0.154 18224 9017 1 26 . 1 1 31 31 ILE N N 31 117.106 117.106 118.429 -1.323 18224 9018 1 26 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.207 -0.268 18224 9019 1 26 . 1 1 31 31 ILE C C 31 174.998 174.998 174.789 0.209 18224 9020 1 26 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.780 3.142 18224 9021 1 26 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.769 -1.661 18224 9022 1 26 . 1 1 31 31 ILE H H 31 8.027 8.027 7.553 0.474 18224 9023 1 26 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.431 -0.147 18224 9024 1 26 . 1 1 32 32 PRO C C 32 178.663 178.663 178.058 0.605 18224 9025 1 26 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.267 -0.274 18224 9026 1 26 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.259 -0.203 18224 9027 1 26 . 1 1 33 33 ALA N N 33 119.031 119.031 118.808 0.223 18224 9028 1 26 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.147 0.019 18224 9029 1 26 . 1 1 33 33 ALA C C 33 178.942 178.942 179.922 -0.980 18224 9030 1 26 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.725 0.815 18224 9031 1 26 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.351 0.134 18224 9032 1 26 . 1 1 33 33 ALA H H 33 7.580 7.580 8.608 -1.028 18224 9033 1 26 . 1 1 34 34 ILE N N 34 117.923 117.923 118.191 -0.268 18224 9034 1 26 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.803 -0.104 18224 9035 1 26 . 1 1 34 34 ILE C C 34 177.833 177.833 177.470 0.363 18224 9036 1 26 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.279 0.833 18224 9037 1 26 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.194 -0.843 18224 9038 1 26 . 1 1 34 34 ILE H H 34 8.234 8.234 7.341 0.893 18224 9039 1 26 . 1 1 35 35 TYR N N 35 118.746 118.746 120.616 -1.870 18224 9040 1 26 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.049 0.066 18224 9041 1 26 . 1 1 35 35 TYR C C 35 178.044 178.044 178.219 -0.175 18224 9042 1 26 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.601 -0.843 18224 9043 1 26 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.538 -0.522 18224 9044 1 26 . 1 1 35 35 TYR H H 35 8.355 8.355 7.627 0.728 18224 9045 1 26 . 1 1 36 36 MET N N 36 117.813 117.813 116.168 1.645 18224 9046 1 26 . 1 1 36 36 MET HA H 36 4.281 4.281 4.151 0.130 18224 9047 1 26 . 1 1 36 36 MET C C 36 178.139 178.139 178.137 0.002 18224 9048 1 26 . 1 1 36 36 MET CA C 36 58.482 58.482 58.992 -0.510 18224 9049 1 26 . 1 1 36 36 MET CB C 36 31.716 31.716 32.603 -0.888 18224 9050 1 26 . 1 1 36 36 MET H H 36 8.107 8.107 8.526 -0.419 18224 9051 1 26 . 1 1 37 37 LEU N N 37 120.311 120.311 120.696 -0.385 18224 9052 1 26 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.092 -0.017 18224 9053 1 26 . 1 1 37 37 LEU C C 37 178.399 178.399 178.281 0.118 18224 9054 1 26 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.880 0.591 18224 9055 1 26 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.916 0.037 18224 9056 1 26 . 1 1 37 37 LEU H H 37 8.229 8.229 7.678 0.551 18224 9057 1 26 . 1 1 38 38 VAL N N 38 118.080 118.080 116.163 1.917 18224 9058 1 26 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.890 -0.365 18224 9059 1 26 . 1 1 38 38 VAL C C 38 178.139 178.139 176.671 1.468 18224 9060 1 26 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.343 2.809 18224 9061 1 26 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.390 -0.940 18224 9062 1 26 . 1 1 38 38 VAL H H 38 8.363 8.363 7.614 0.749 18224 9063 1 26 . 1 1 39 39 PHE N N 39 120.151 120.151 121.158 -1.007 18224 9064 1 26 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.390 -0.167 18224 9065 1 26 . 1 1 39 39 PHE C C 39 178.544 178.544 177.014 1.530 18224 9066 1 26 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.973 -0.647 18224 9067 1 26 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.399 -1.483 18224 9068 1 26 . 1 1 39 39 PHE H H 39 8.306 8.306 7.978 0.328 18224 9069 1 26 . 1 1 40 40 LEU N N 40 121.004 121.004 117.168 3.836 18224 9070 1 26 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.361 -0.338 18224 9071 1 26 . 1 1 40 40 LEU C C 40 179.704 179.704 177.871 1.833 18224 9072 1 26 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.246 0.692 18224 9073 1 26 . 1 1 40 40 LEU CB C 40 42.292 42.292 40.831 1.462 18224 9074 1 26 . 1 1 40 40 LEU H H 40 8.567 8.567 8.196 0.371 18224 9075 1 26 . 1 1 41 41 LEU N N 41 119.593 119.593 119.088 0.505 18224 9076 1 26 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.267 -0.206 18224 9077 1 26 . 1 1 41 41 LEU C C 41 178.966 178.966 178.293 0.673 18224 9078 1 26 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.008 1.688 18224 9079 1 26 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.151 -0.359 18224 9080 1 26 . 1 1 41 41 LEU H H 41 8.503 8.503 7.864 0.639 18224 9081 1 26 . 1 1 42 42 GLY N N 42 105.838 105.838 104.701 1.137 18224 9082 1 26 . 1 1 42 42 GLY C C 42 175.587 175.587 173.939 1.648 18224 9083 1 26 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.658 0.912 18224 9084 1 26 . 1 1 42 42 GLY H H 42 8.355 8.355 8.038 0.317 18224 9085 1 26 . 1 1 43 43 THR N N 43 112.333 112.333 111.721 0.612 18224 9086 1 26 . 1 1 43 43 THR HA H 43 4.290 4.290 4.963 -0.673 18224 9087 1 26 . 1 1 43 43 THR C C 43 175.765 175.765 173.871 1.894 18224 9088 1 26 . 1 1 43 43 THR CA C 43 63.680 63.680 60.229 3.451 18224 9089 1 26 . 1 1 43 43 THR CB C 43 69.626 69.626 69.825 -0.199 18224 9090 1 26 . 1 1 43 43 THR H H 43 7.895 7.895 7.386 0.509 18224 9091 1 26 . 1 1 44 44 THR N N 44 112.041 112.041 116.117 -4.076 18224 9092 1 26 . 1 1 44 44 THR HA H 44 4.388 4.388 3.988 0.400 18224 9093 1 26 . 1 1 44 44 THR C C 44 175.555 175.555 175.155 0.400 18224 9094 1 26 . 1 1 44 44 THR CA C 44 62.732 62.732 65.597 -2.865 18224 9095 1 26 . 1 1 44 44 THR CB C 44 70.240 70.240 67.858 2.382 18224 9096 1 26 . 1 1 44 44 THR H H 44 7.684 7.684 8.496 -0.812 18224 9097 1 26 . 1 1 45 45 GLY N N 45 109.756 109.756 109.575 0.181 18224 9098 1 26 . 1 1 45 45 GLY C C 45 174.948 174.948 172.712 2.236 18224 9099 1 26 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.798 1.554 18224 9100 1 26 . 1 1 45 45 GLY H H 45 8.058 8.058 8.438 -0.380 18224 9101 1 26 . 1 1 46 46 ASN N N 46 117.561 117.561 118.229 -0.668 18224 9102 1 26 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.855 -0.010 18224 9103 1 26 . 1 1 46 46 ASN C C 46 175.853 175.853 174.858 0.995 18224 9104 1 26 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.137 1.955 18224 9105 1 26 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.361 0.152 18224 9106 1 26 . 1 1 46 46 ASN H H 46 8.202 8.202 7.233 0.969 18224 9107 1 26 . 1 1 47 47 GLY N N 47 108.715 108.715 110.253 -1.538 18224 9108 1 26 . 1 1 47 47 GLY C C 47 174.431 174.431 173.641 0.790 18224 9109 1 26 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.892 1.270 18224 9110 1 26 . 1 1 47 47 GLY H H 47 8.600 8.600 8.765 -0.165 18224 9111 1 26 . 1 1 48 48 LEU N N 48 120.089 120.089 120.383 -0.294 18224 9112 1 26 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.820 -0.501 18224 9113 1 26 . 1 1 48 48 LEU C C 48 179.243 179.243 177.899 1.344 18224 9114 1 26 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.645 1.671 18224 9115 1 26 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.690 -0.852 18224 9116 1 26 . 1 1 48 48 LEU H H 48 8.003 8.003 7.704 0.299 18224 9117 1 26 . 1 1 49 49 VAL N N 49 120.573 120.573 121.240 -0.667 18224 9118 1 26 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.953 -0.132 18224 9119 1 26 . 1 1 49 49 VAL C C 49 177.520 177.520 176.530 0.990 18224 9120 1 26 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.358 0.704 18224 9121 1 26 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.671 -0.183 18224 9122 1 26 . 1 1 49 49 VAL H H 49 7.910 7.910 8.082 -0.172 18224 9123 1 26 . 1 1 50 50 LEU N N 50 119.718 119.718 115.311 4.407 18224 9124 1 26 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.567 -0.540 18224 9125 1 26 . 1 1 50 50 LEU C C 50 178.169 178.169 177.046 1.123 18224 9126 1 26 . 1 1 50 50 LEU CA C 50 58.052 58.052 55.030 3.022 18224 9127 1 26 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.146 1.595 18224 9128 1 26 . 1 1 50 50 LEU H H 50 7.860 7.860 7.981 -0.121 18224 9129 1 26 . 1 1 51 51 TRP N N 51 118.071 118.071 121.965 -3.894 18224 9130 1 26 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.860 -0.318 18224 9131 1 26 . 1 1 51 51 TRP C C 51 177.296 177.296 176.229 1.067 18224 9132 1 26 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.513 0.405 18224 9133 1 26 . 1 1 51 51 TRP CB C 51 29.975 29.975 30.319 -0.344 18224 9134 1 26 . 1 1 51 51 TRP H H 51 8.109 8.109 7.820 0.289 18224 9135 1 26 . 1 1 52 52 THR N N 52 113.243 113.243 114.342 -1.099 18224 9136 1 26 . 1 1 52 52 THR HA H 52 3.773 3.773 3.966 -0.193 18224 9137 1 26 . 1 1 52 52 THR C C 52 176.402 176.402 176.204 0.198 18224 9138 1 26 . 1 1 52 52 THR CA C 52 66.690 66.690 64.886 1.804 18224 9139 1 26 . 1 1 52 52 THR CB C 52 68.921 68.921 69.634 -0.713 18224 9140 1 26 . 1 1 52 52 THR H H 52 8.072 8.072 7.655 0.417 18224 9141 1 26 . 1 1 53 53 VAL N N 53 120.307 120.307 120.727 -0.420 18224 9142 1 26 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.848 -0.185 18224 9143 1 26 . 1 1 53 53 VAL C C 53 177.362 177.362 176.739 0.623 18224 9144 1 26 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.382 0.910 18224 9145 1 26 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.693 0.024 18224 9146 1 26 . 1 1 53 53 VAL H H 53 8.006 8.006 7.745 0.261 18224 9147 1 26 . 1 1 54 54 PHE N N 54 119.041 119.041 118.424 0.617 18224 9148 1 26 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.525 -0.297 18224 9149 1 26 . 1 1 54 54 PHE C C 54 177.476 177.476 175.245 2.231 18224 9150 1 26 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.070 2.822 18224 9151 1 26 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.587 -0.991 18224 9152 1 26 . 1 1 54 54 PHE H H 54 8.143 8.143 7.540 0.603 18224 9153 1 26 . 1 1 55 55 ARG N N 55 117.543 117.543 118.906 -1.363 18224 9154 1 26 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.536 0.327 18224 9155 1 26 . 1 1 55 55 ARG C C 55 177.832 177.832 178.234 -0.402 18224 9156 1 26 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.527 0.179 18224 9157 1 26 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.512 -0.036 18224 9158 1 26 . 1 1 55 55 ARG H H 55 8.112 8.112 7.698 0.414 18224 9159 1 26 . 1 1 56 56 LYS N N 56 118.390 118.390 119.257 -0.867 18224 9160 1 26 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.120 0.043 18224 9161 1 26 . 1 1 56 56 LYS C C 56 177.400 177.400 178.515 -1.115 18224 9162 1 26 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.433 -0.723 18224 9163 1 26 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.159 0.620 18224 9164 1 26 . 1 1 56 56 LYS H H 56 7.789 7.789 7.581 0.208 18224 9165 1 26 . 1 1 57 57 LYS N N 57 118.190 118.190 122.269 -4.079 18224 9166 1 26 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.411 -0.152 18224 9167 1 26 . 1 1 57 57 LYS C C 57 176.791 176.791 176.144 0.647 18224 9168 1 26 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.233 1.192 18224 9169 1 26 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.207 1.616 18224 9170 1 26 . 1 1 57 57 LYS H H 57 7.821 7.821 7.757 0.064 18224 9171 1 26 . 1 1 58 58 GLY N N 58 107.289 107.289 107.238 0.051 18224 9172 1 26 . 1 1 58 58 GLY C C 58 173.607 173.607 174.519 -0.912 18224 9173 1 26 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.368 0.105 18224 9174 1 26 . 1 1 58 58 GLY H H 58 7.927 7.927 7.488 0.439 18224 9175 1 26 . 1 1 59 59 HIS N N 59 116.847 116.847 119.452 -2.605 18224 9176 1 26 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.627 0.066 18224 9177 1 26 . 1 1 59 59 HIS C C 59 174.153 174.153 174.978 -0.825 18224 9178 1 26 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.374 -2.216 18224 9179 1 26 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.682 -1.767 18224 9180 1 26 . 1 1 59 59 HIS H H 59 8.120 8.120 7.685 0.435 18224 9181 1 26 . 1 1 60 60 HIS N N 60 118.028 118.028 120.903 -2.875 18224 9182 1 26 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.285 0.407 18224 9183 1 26 . 1 1 60 60 HIS C C 60 173.987 173.987 174.503 -0.516 18224 9184 1 26 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.401 -1.893 18224 9185 1 26 . 1 1 60 60 HIS CB C 60 28.825 28.825 28.078 0.747 18224 9186 1 26 . 1 1 60 60 HIS H H 60 8.328 8.328 8.159 0.169 18224 9187 1 26 . 1 1 61 61 HIS N N 61 118.101 118.101 123.811 -5.710 18224 9188 1 26 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.691 -0.001 18224 9189 1 26 . 1 1 61 61 HIS C C 61 174.032 174.032 174.591 -0.559 18224 9190 1 26 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.301 0.417 18224 9191 1 26 . 1 1 61 61 HIS CB C 61 28.895 28.895 31.871 -2.976 18224 9192 1 26 . 1 1 61 61 HIS H H 61 8.351 8.351 7.985 0.366 18224 9193 1 26 . 1 1 62 62 HIS N N 62 118.704 118.704 122.599 -3.895 18224 9194 1 26 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.299 0.402 18224 9195 1 26 . 1 1 62 62 HIS C C 62 173.803 173.803 175.281 -1.478 18224 9196 1 26 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.324 -0.720 18224 9197 1 26 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.584 -1.421 18224 9198 1 26 . 1 1 62 62 HIS H H 62 8.381 8.381 8.718 -0.337 18224 9199 1 26 . 1 1 63 63 HIS N N 63 118.853 118.853 120.461 -1.608 18224 9200 1 26 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.560 0.121 18224 9201 1 26 . 1 1 63 63 HIS C C 63 173.576 173.576 175.376 -1.800 18224 9202 1 26 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.784 -0.086 18224 9203 1 26 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.813 -0.680 18224 9204 1 26 . 1 1 63 63 HIS H H 63 8.299 8.299 8.371 -0.072 18224 9205 1 27 . 1 1 2 2 GLU N N 2 122.762 122.762 119.443 3.319 18224 9206 1 27 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.500 -0.062 18224 9207 1 27 . 1 1 2 2 GLU C C 2 175.581 175.581 176.190 -0.609 18224 9208 1 27 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.556 -0.196 18224 9209 1 27 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.015 -0.433 18224 9210 1 27 . 1 1 2 2 GLU H H 2 8.628 8.628 8.434 0.194 18224 9211 1 27 . 1 1 3 3 GLU N N 3 121.071 121.071 124.165 -3.094 18224 9212 1 27 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.392 -0.011 18224 9213 1 27 . 1 1 3 3 GLU C C 3 176.457 176.457 176.417 0.040 18224 9214 1 27 . 1 1 3 3 GLU CA C 3 56.348 56.348 55.994 0.354 18224 9215 1 27 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.224 0.975 18224 9216 1 27 . 1 1 3 3 GLU H H 3 8.393 8.393 8.865 -0.472 18224 9217 1 27 . 1 1 4 4 GLY N N 4 109.717 109.717 107.671 2.046 18224 9218 1 27 . 1 1 4 4 GLY C C 4 174.677 174.677 175.492 -0.815 18224 9219 1 27 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.778 0.863 18224 9220 1 27 . 1 1 4 4 GLY H H 4 8.377 8.377 7.680 0.697 18224 9221 1 27 . 1 1 5 5 GLY N N 5 108.373 108.373 109.362 -0.989 18224 9222 1 27 . 1 1 5 5 GLY C C 5 174.047 174.047 174.687 -0.640 18224 9223 1 27 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.256 0.316 18224 9224 1 27 . 1 1 5 5 GLY H H 5 8.115 8.115 8.096 0.019 18224 9225 1 27 . 1 1 6 6 ASP N N 6 118.996 118.996 119.825 -0.829 18224 9226 1 27 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.429 0.220 18224 9227 1 27 . 1 1 6 6 ASP C C 6 175.903 175.903 176.191 -0.288 18224 9228 1 27 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.869 0.176 18224 9229 1 27 . 1 1 6 6 ASP CB C 6 39.344 39.344 39.913 -0.570 18224 9230 1 27 . 1 1 6 6 ASP H H 6 8.166 8.166 8.289 -0.123 18224 9231 1 27 . 1 1 7 7 PHE N N 7 119.750 119.750 118.729 1.021 18224 9232 1 27 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.085 0.465 18224 9233 1 27 . 1 1 7 7 PHE C C 7 175.919 175.919 173.921 1.998 18224 9234 1 27 . 1 1 7 7 PHE CA C 7 58.932 58.932 59.834 -0.902 18224 9235 1 27 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.139 0.041 18224 9236 1 27 . 1 1 7 7 PHE H H 7 8.151 8.151 7.987 0.164 18224 9237 1 27 . 1 1 8 8 ASP N N 8 118.526 118.526 120.843 -2.317 18224 9238 1 27 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.809 -0.311 18224 9239 1 27 . 1 1 8 8 ASP C C 8 175.787 175.787 175.944 -0.157 18224 9240 1 27 . 1 1 8 8 ASP CA C 8 54.635 54.635 53.952 0.683 18224 9241 1 27 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.525 -1.322 18224 9242 1 27 . 1 1 8 8 ASP H H 8 8.161 8.161 8.617 -0.456 18224 9243 1 27 . 1 1 9 9 ASN N N 9 117.291 117.291 116.981 0.310 18224 9244 1 27 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.385 0.186 18224 9245 1 27 . 1 1 9 9 ASN C C 9 175.142 175.142 173.796 1.346 18224 9246 1 27 . 1 1 9 9 ASN CA C 9 53.934 53.934 54.859 -0.925 18224 9247 1 27 . 1 1 9 9 ASN CB C 9 38.792 38.792 37.539 1.253 18224 9248 1 27 . 1 1 9 9 ASN H H 9 8.013 8.013 8.213 -0.200 18224 9249 1 27 . 1 1 10 10 TYR N N 10 119.112 119.112 114.113 4.999 18224 9250 1 27 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.518 -0.072 18224 9251 1 27 . 1 1 10 10 TYR C C 10 175.513 175.513 174.476 1.037 18224 9252 1 27 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.420 1.554 18224 9253 1 27 . 1 1 10 10 TYR CB C 10 38.883 38.883 39.073 -0.190 18224 9254 1 27 . 1 1 10 10 TYR H H 10 7.848 7.848 8.255 -0.407 18224 9255 1 27 . 1 1 11 11 TYR N N 11 119.438 119.438 119.377 0.061 18224 9256 1 27 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.103 0.404 18224 9257 1 27 . 1 1 11 11 TYR C C 11 175.939 175.939 174.903 1.036 18224 9258 1 27 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.230 0.067 18224 9259 1 27 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.031 0.936 18224 9260 1 27 . 1 1 11 11 TYR H H 11 7.849 7.849 7.941 -0.092 18224 9261 1 27 . 1 1 12 12 GLY N N 12 109.685 109.685 109.703 -0.018 18224 9262 1 27 . 1 1 12 12 GLY C C 12 174.099 174.099 172.547 1.552 18224 9263 1 27 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.103 1.442 18224 9264 1 27 . 1 1 12 12 GLY H H 12 7.792 7.792 8.035 -0.243 18224 9265 1 27 . 1 1 13 13 ALA N N 13 123.072 123.072 122.820 0.252 18224 9266 1 27 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.406 -0.131 18224 9267 1 27 . 1 1 13 13 ALA C C 13 177.669 177.669 175.549 2.120 18224 9268 1 27 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.904 1.066 18224 9269 1 27 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.698 -0.408 18224 9270 1 27 . 1 1 13 13 ALA H H 13 7.880 7.880 8.065 -0.185 18224 9271 1 27 . 1 1 14 14 ASP N N 14 117.540 117.540 121.076 -3.536 18224 9272 1 27 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.498 0.151 18224 9273 1 27 . 1 1 14 14 ASP C C 14 175.649 175.649 175.564 0.085 18224 9274 1 27 . 1 1 14 14 ASP CA C 14 53.964 53.964 55.682 -1.718 18224 9275 1 27 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.122 0.561 18224 9276 1 27 . 1 1 14 14 ASP H H 14 8.281 8.281 8.731 -0.450 18224 9277 1 27 . 1 1 15 15 ASN N N 15 118.400 118.400 117.933 0.467 18224 9278 1 27 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.770 -0.084 18224 9279 1 27 . 1 1 15 15 ASN C C 15 175.351 175.351 174.626 0.725 18224 9280 1 27 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.354 0.254 18224 9281 1 27 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.909 -0.967 18224 9282 1 27 . 1 1 15 15 ASN H H 15 8.137 8.137 8.565 -0.428 18224 9283 1 27 . 1 1 16 16 GLN N N 16 120.072 120.072 118.840 1.232 18224 9284 1 27 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.578 -0.218 18224 9285 1 27 . 1 1 16 16 GLN C C 16 176.206 176.206 175.330 0.876 18224 9286 1 27 . 1 1 16 16 GLN CA C 16 56.402 56.402 54.883 1.518 18224 9287 1 27 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.260 1.909 18224 9288 1 27 . 1 1 16 16 GLN H H 16 8.284 8.284 8.321 -0.037 18224 9289 1 27 . 1 1 17 17 SER N N 17 116.112 116.112 118.058 -1.946 18224 9290 1 27 . 1 1 17 17 SER HA H 17 4.440 4.440 4.262 0.178 18224 9291 1 27 . 1 1 17 17 SER C C 17 174.568 174.568 174.026 0.542 18224 9292 1 27 . 1 1 17 17 SER CA C 17 58.911 58.911 59.116 -0.205 18224 9293 1 27 . 1 1 17 17 SER CB C 17 63.897 63.897 63.873 0.024 18224 9294 1 27 . 1 1 17 17 SER H H 17 8.211 8.211 8.312 -0.101 18224 9295 1 27 . 1 1 18 18 GLU N N 18 121.378 121.378 127.388 -6.010 18224 9296 1 27 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.440 -0.061 18224 9297 1 27 . 1 1 18 18 GLU C C 18 175.934 175.934 176.542 -0.608 18224 9298 1 27 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.690 0.716 18224 9299 1 27 . 1 1 18 18 GLU CB C 18 29.133 29.133 29.530 -0.398 18224 9300 1 27 . 1 1 18 18 GLU H H 18 8.262 8.262 8.783 -0.521 18224 9301 1 27 . 1 1 19 19 CYS N N 19 119.418 119.418 126.610 -7.192 18224 9302 1 27 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.693 -0.249 18224 9303 1 27 . 1 1 19 19 CYS C C 19 174.568 174.568 174.498 0.070 18224 9304 1 27 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.728 1.111 18224 9305 1 27 . 1 1 19 19 CYS CB C 19 27.973 27.973 26.588 1.385 18224 9306 1 27 . 1 1 19 19 CYS H H 19 8.182 8.182 8.734 -0.552 18224 9307 1 27 . 1 1 20 20 GLU N N 20 122.737 122.737 119.406 3.331 18224 9308 1 27 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.161 0.146 18224 9309 1 27 . 1 1 20 20 GLU C C 20 176.083 176.083 175.432 0.651 18224 9310 1 27 . 1 1 20 20 GLU CA C 20 56.540 56.540 55.866 0.674 18224 9311 1 27 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.491 -0.625 18224 9312 1 27 . 1 1 20 20 GLU H H 20 8.303 8.303 7.329 0.974 18224 9313 1 27 . 1 1 21 21 TYR N N 21 119.549 119.549 120.978 -1.429 18224 9314 1 27 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.828 0.646 18224 9315 1 27 . 1 1 21 21 TYR C C 21 175.826 175.826 173.857 1.969 18224 9316 1 27 . 1 1 21 21 TYR CA C 21 58.671 58.671 60.914 -2.243 18224 9317 1 27 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.246 1.343 18224 9318 1 27 . 1 1 21 21 TYR H H 21 7.888 7.888 8.575 -0.687 18224 9319 1 27 . 1 1 22 22 THR N N 22 112.218 112.218 109.331 2.887 18224 9320 1 27 . 1 1 22 22 THR HA H 22 4.163 4.163 3.556 0.607 18224 9321 1 27 . 1 1 22 22 THR C C 22 174.737 174.737 173.290 1.447 18224 9322 1 27 . 1 1 22 22 THR CA C 22 62.778 62.778 61.727 1.052 18224 9323 1 27 . 1 1 22 22 THR CB C 22 69.531 69.531 69.881 -0.350 18224 9324 1 27 . 1 1 22 22 THR H H 22 7.683 7.683 7.082 0.601 18224 9325 1 27 . 1 1 23 23 ASP N N 23 121.090 121.090 119.929 1.161 18224 9326 1 27 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.960 -0.249 18224 9327 1 27 . 1 1 23 23 ASP C C 23 176.279 176.279 177.103 -0.824 18224 9328 1 27 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.411 0.699 18224 9329 1 27 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.402 -1.064 18224 9330 1 27 . 1 1 23 23 ASP H H 23 8.059 8.059 7.880 0.179 18224 9331 1 27 . 1 1 24 24 TRP N N 24 121.546 121.546 122.309 -0.763 18224 9332 1 27 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.255 0.231 18224 9333 1 27 . 1 1 24 24 TRP C C 24 177.051 177.051 177.220 -0.169 18224 9334 1 27 . 1 1 24 24 TRP CA C 24 58.828 58.828 59.665 -0.837 18224 9335 1 27 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.065 1.003 18224 9336 1 27 . 1 1 24 24 TRP H H 24 7.888 7.888 7.106 0.782 18224 9337 1 27 . 1 1 25 25 LYS N N 25 120.106 120.106 119.440 0.666 18224 9338 1 27 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.150 -0.160 18224 9339 1 27 . 1 1 25 25 LYS C C 25 176.764 176.764 177.303 -0.539 18224 9340 1 27 . 1 1 25 25 LYS CA C 25 57.722 57.722 58.037 -0.315 18224 9341 1 27 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.797 0.504 18224 9342 1 27 . 1 1 25 25 LYS H H 25 7.620 7.620 8.498 -0.878 18224 9343 1 27 . 1 1 26 26 SER N N 26 114.114 114.114 114.862 -0.748 18224 9344 1 27 . 1 1 26 26 SER HA H 26 4.471 4.471 4.408 0.063 18224 9345 1 27 . 1 1 26 26 SER C C 26 175.124 175.124 175.229 -0.105 18224 9346 1 27 . 1 1 26 26 SER CA C 26 58.757 58.757 60.153 -1.396 18224 9347 1 27 . 1 1 26 26 SER CB C 26 63.812 63.812 63.795 0.017 18224 9348 1 27 . 1 1 26 26 SER H H 26 7.796 7.796 8.064 -0.268 18224 9349 1 27 . 1 1 27 27 SER N N 27 116.655 116.655 113.031 3.624 18224 9350 1 27 . 1 1 27 27 SER HA H 27 4.386 4.386 4.602 -0.216 18224 9351 1 27 . 1 1 27 27 SER C C 27 175.505 175.505 174.207 1.298 18224 9352 1 27 . 1 1 27 27 SER CA C 27 59.611 59.611 58.493 1.118 18224 9353 1 27 . 1 1 27 27 SER CB C 27 64.117 64.117 64.859 -0.742 18224 9354 1 27 . 1 1 27 27 SER H H 27 8.046 8.046 8.144 -0.098 18224 9355 1 27 . 1 1 28 28 GLY N N 28 111.049 111.049 107.949 3.100 18224 9356 1 27 . 1 1 28 28 GLY C C 28 174.495 174.495 174.698 -0.203 18224 9357 1 27 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.635 0.486 18224 9358 1 27 . 1 1 28 28 GLY H H 28 8.304 8.304 8.584 -0.280 18224 9359 1 27 . 1 1 29 29 ALA N N 29 121.693 121.693 124.227 -2.534 18224 9360 1 27 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.311 0.038 18224 9361 1 27 . 1 1 29 29 ALA C C 29 177.695 177.695 177.592 0.103 18224 9362 1 27 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.111 0.000 18224 9363 1 27 . 1 1 29 29 ALA CB C 29 19.964 19.964 19.149 0.815 18224 9364 1 27 . 1 1 29 29 ALA H H 29 7.941 7.941 8.023 -0.082 18224 9365 1 27 . 1 1 30 30 LEU N N 30 117.996 117.996 119.224 -1.228 18224 9366 1 27 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.471 -0.289 18224 9367 1 27 . 1 1 30 30 LEU C C 30 177.484 177.484 175.818 1.666 18224 9368 1 27 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.730 3.240 18224 9369 1 27 . 1 1 30 30 LEU CB C 30 42.422 42.422 40.866 1.556 18224 9370 1 27 . 1 1 30 30 LEU H H 30 7.968 7.968 7.595 0.373 18224 9371 1 27 . 1 1 31 31 ILE N N 31 117.106 117.106 120.141 -3.035 18224 9372 1 27 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.308 -0.369 18224 9373 1 27 . 1 1 31 31 ILE C C 31 174.998 174.998 174.600 0.398 18224 9374 1 27 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.046 2.876 18224 9375 1 27 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.721 -1.613 18224 9376 1 27 . 1 1 31 31 ILE H H 31 8.027 8.027 7.655 0.372 18224 9377 1 27 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.394 -0.110 18224 9378 1 27 . 1 1 32 32 PRO C C 32 178.663 178.663 177.440 1.223 18224 9379 1 27 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.139 0.854 18224 9380 1 27 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.050 0.006 18224 9381 1 27 . 1 1 33 33 ALA N N 33 119.031 119.031 120.414 -1.383 18224 9382 1 27 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.368 -0.202 18224 9383 1 27 . 1 1 33 33 ALA C C 33 178.942 178.942 178.222 0.720 18224 9384 1 27 . 1 1 33 33 ALA CA C 33 55.540 55.540 53.565 1.975 18224 9385 1 27 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.729 -0.244 18224 9386 1 27 . 1 1 33 33 ALA H H 33 7.580 7.580 8.364 -0.784 18224 9387 1 27 . 1 1 34 34 ILE N N 34 117.923 117.923 117.757 0.166 18224 9388 1 27 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.053 -0.354 18224 9389 1 27 . 1 1 34 34 ILE C C 34 177.833 177.833 176.438 1.395 18224 9390 1 27 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.836 2.276 18224 9391 1 27 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.623 -1.272 18224 9392 1 27 . 1 1 34 34 ILE H H 34 8.234 8.234 7.758 0.476 18224 9393 1 27 . 1 1 35 35 TYR N N 35 118.746 118.746 119.982 -1.236 18224 9394 1 27 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.413 -0.298 18224 9395 1 27 . 1 1 35 35 TYR C C 35 178.044 178.044 177.316 0.728 18224 9396 1 27 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.078 -0.320 18224 9397 1 27 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.392 -1.377 18224 9398 1 27 . 1 1 35 35 TYR H H 35 8.355 8.355 7.682 0.673 18224 9399 1 27 . 1 1 36 36 MET N N 36 117.813 117.813 117.145 0.668 18224 9400 1 27 . 1 1 36 36 MET HA H 36 4.281 4.281 4.418 -0.137 18224 9401 1 27 . 1 1 36 36 MET C C 36 178.139 178.139 176.585 1.554 18224 9402 1 27 . 1 1 36 36 MET CA C 36 58.482 58.482 57.644 0.838 18224 9403 1 27 . 1 1 36 36 MET CB C 36 31.716 31.716 32.359 -0.643 18224 9404 1 27 . 1 1 36 36 MET H H 36 8.107 8.107 7.606 0.501 18224 9405 1 27 . 1 1 37 37 LEU N N 37 120.311 120.311 117.548 2.763 18224 9406 1 27 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.412 -0.337 18224 9407 1 27 . 1 1 37 37 LEU C C 37 178.399 178.399 176.644 1.755 18224 9408 1 27 . 1 1 37 37 LEU CA C 37 58.470 58.470 55.925 2.545 18224 9409 1 27 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.901 1.052 18224 9410 1 27 . 1 1 37 37 LEU H H 37 8.229 8.229 7.925 0.304 18224 9411 1 27 . 1 1 38 38 VAL N N 38 118.080 118.080 117.395 0.685 18224 9412 1 27 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.032 -0.507 18224 9413 1 27 . 1 1 38 38 VAL C C 38 178.139 178.139 176.652 1.487 18224 9414 1 27 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.225 3.927 18224 9415 1 27 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.668 -2.218 18224 9416 1 27 . 1 1 38 38 VAL H H 38 8.363 8.363 7.638 0.725 18224 9417 1 27 . 1 1 39 39 PHE N N 39 120.151 120.151 119.867 0.284 18224 9418 1 27 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.267 -0.044 18224 9419 1 27 . 1 1 39 39 PHE C C 39 178.544 178.544 176.091 2.453 18224 9420 1 27 . 1 1 39 39 PHE CA C 39 61.326 61.326 62.009 -0.683 18224 9421 1 27 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.710 -0.794 18224 9422 1 27 . 1 1 39 39 PHE H H 39 8.306 8.306 7.777 0.529 18224 9423 1 27 . 1 1 40 40 LEU N N 40 121.004 121.004 114.225 6.779 18224 9424 1 27 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.541 -0.518 18224 9425 1 27 . 1 1 40 40 LEU C C 40 179.704 179.704 177.118 2.586 18224 9426 1 27 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.368 2.570 18224 9427 1 27 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.614 -0.322 18224 9428 1 27 . 1 1 40 40 LEU H H 40 8.567 8.567 7.426 1.141 18224 9429 1 27 . 1 1 41 41 LEU N N 41 119.593 119.593 119.548 0.045 18224 9430 1 27 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.373 -0.312 18224 9431 1 27 . 1 1 41 41 LEU C C 41 178.966 178.966 177.953 1.013 18224 9432 1 27 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.719 1.977 18224 9433 1 27 . 1 1 41 41 LEU CB C 41 41.792 41.792 40.007 1.785 18224 9434 1 27 . 1 1 41 41 LEU H H 41 8.503 8.503 7.901 0.602 18224 9435 1 27 . 1 1 42 42 GLY N N 42 105.838 105.838 106.680 -0.842 18224 9436 1 27 . 1 1 42 42 GLY C C 42 175.587 175.587 175.528 0.059 18224 9437 1 27 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.468 1.102 18224 9438 1 27 . 1 1 42 42 GLY H H 42 8.355 8.355 7.904 0.451 18224 9439 1 27 . 1 1 43 43 THR N N 43 112.333 112.333 116.281 -3.948 18224 9440 1 27 . 1 1 43 43 THR HA H 43 4.290 4.290 4.168 0.122 18224 9441 1 27 . 1 1 43 43 THR C C 43 175.765 175.765 176.463 -0.698 18224 9442 1 27 . 1 1 43 43 THR CA C 43 63.680 63.680 62.684 0.996 18224 9443 1 27 . 1 1 43 43 THR CB C 43 69.626 69.626 69.121 0.505 18224 9444 1 27 . 1 1 43 43 THR H H 43 7.895 7.895 7.687 0.208 18224 9445 1 27 . 1 1 44 44 THR N N 44 112.041 112.041 114.995 -2.954 18224 9446 1 27 . 1 1 44 44 THR HA H 44 4.388 4.388 4.131 0.257 18224 9447 1 27 . 1 1 44 44 THR C C 44 175.555 175.555 175.813 -0.258 18224 9448 1 27 . 1 1 44 44 THR CA C 44 62.732 62.732 64.371 -1.639 18224 9449 1 27 . 1 1 44 44 THR CB C 44 70.240 70.240 68.747 1.493 18224 9450 1 27 . 1 1 44 44 THR H H 44 7.684 7.684 8.452 -0.768 18224 9451 1 27 . 1 1 45 45 GLY N N 45 109.756 109.756 109.255 0.501 18224 9452 1 27 . 1 1 45 45 GLY C C 45 174.948 174.948 172.879 2.069 18224 9453 1 27 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.763 1.589 18224 9454 1 27 . 1 1 45 45 GLY H H 45 8.058 8.058 8.383 -0.325 18224 9455 1 27 . 1 1 46 46 ASN N N 46 117.561 117.561 118.754 -1.193 18224 9456 1 27 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.454 0.391 18224 9457 1 27 . 1 1 46 46 ASN C C 46 175.853 175.853 175.537 0.316 18224 9458 1 27 . 1 1 46 46 ASN CA C 46 54.092 54.092 54.033 0.059 18224 9459 1 27 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.368 1.145 18224 9460 1 27 . 1 1 46 46 ASN H H 46 8.202 8.202 8.501 -0.299 18224 9461 1 27 . 1 1 47 47 GLY N N 47 108.715 108.715 109.524 -0.809 18224 9462 1 27 . 1 1 47 47 GLY C C 47 174.431 174.431 175.097 -0.666 18224 9463 1 27 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.707 1.454 18224 9464 1 27 . 1 1 47 47 GLY H H 47 8.600 8.600 8.415 0.185 18224 9465 1 27 . 1 1 48 48 LEU N N 48 120.089 120.089 121.605 -1.516 18224 9466 1 27 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.522 -0.203 18224 9467 1 27 . 1 1 48 48 LEU C C 48 179.243 179.243 178.098 1.145 18224 9468 1 27 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.294 1.022 18224 9469 1 27 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.004 -0.166 18224 9470 1 27 . 1 1 48 48 LEU H H 48 8.003 8.003 7.768 0.235 18224 9471 1 27 . 1 1 49 49 VAL N N 49 120.573 120.573 118.584 1.989 18224 9472 1 27 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.845 -0.024 18224 9473 1 27 . 1 1 49 49 VAL C C 49 177.520 177.520 178.230 -0.710 18224 9474 1 27 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.154 -0.092 18224 9475 1 27 . 1 1 49 49 VAL CB C 49 31.488 31.488 30.733 0.756 18224 9476 1 27 . 1 1 49 49 VAL H H 49 7.910 7.910 8.247 -0.337 18224 9477 1 27 . 1 1 50 50 LEU N N 50 119.718 119.718 118.974 0.744 18224 9478 1 27 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.280 -0.253 18224 9479 1 27 . 1 1 50 50 LEU C C 50 178.169 178.169 178.939 -0.770 18224 9480 1 27 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.343 0.709 18224 9481 1 27 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.106 0.635 18224 9482 1 27 . 1 1 50 50 LEU H H 50 7.860 7.860 7.948 -0.088 18224 9483 1 27 . 1 1 51 51 TRP N N 51 118.071 118.071 122.076 -4.005 18224 9484 1 27 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.274 0.268 18224 9485 1 27 . 1 1 51 51 TRP C C 51 177.296 177.296 177.317 -0.021 18224 9486 1 27 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.261 -0.343 18224 9487 1 27 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.741 1.234 18224 9488 1 27 . 1 1 51 51 TRP H H 51 8.109 8.109 7.840 0.269 18224 9489 1 27 . 1 1 52 52 THR N N 52 113.243 113.243 115.842 -2.599 18224 9490 1 27 . 1 1 52 52 THR HA H 52 3.773 3.773 3.522 0.251 18224 9491 1 27 . 1 1 52 52 THR C C 52 176.402 176.402 176.219 0.183 18224 9492 1 27 . 1 1 52 52 THR CA C 52 66.690 66.690 66.207 0.483 18224 9493 1 27 . 1 1 52 52 THR CB C 52 68.921 68.921 68.788 0.133 18224 9494 1 27 . 1 1 52 52 THR H H 52 8.072 8.072 7.760 0.312 18224 9495 1 27 . 1 1 53 53 VAL N N 53 120.307 120.307 120.911 -0.604 18224 9496 1 27 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.645 0.018 18224 9497 1 27 . 1 1 53 53 VAL C C 53 177.362 177.362 177.040 0.322 18224 9498 1 27 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.540 0.752 18224 9499 1 27 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.477 0.240 18224 9500 1 27 . 1 1 53 53 VAL H H 53 8.006 8.006 7.455 0.551 18224 9501 1 27 . 1 1 54 54 PHE N N 54 119.041 119.041 116.867 2.174 18224 9502 1 27 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.395 -0.167 18224 9503 1 27 . 1 1 54 54 PHE C C 54 177.476 177.476 175.141 2.335 18224 9504 1 27 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.218 2.674 18224 9505 1 27 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.597 -0.001 18224 9506 1 27 . 1 1 54 54 PHE H H 54 8.143 8.143 7.469 0.674 18224 9507 1 27 . 1 1 55 55 ARG N N 55 117.543 117.543 117.772 -0.229 18224 9508 1 27 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.370 -0.507 18224 9509 1 27 . 1 1 55 55 ARG C C 55 177.832 177.832 177.259 0.573 18224 9510 1 27 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.322 1.384 18224 9511 1 27 . 1 1 55 55 ARG CB C 55 29.476 29.476 31.668 -2.192 18224 9512 1 27 . 1 1 55 55 ARG H H 55 8.112 8.112 8.143 -0.031 18224 9513 1 27 . 1 1 56 56 LYS N N 56 118.390 118.390 119.228 -0.838 18224 9514 1 27 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.231 -0.068 18224 9515 1 27 . 1 1 56 56 LYS C C 56 177.400 177.400 177.914 -0.514 18224 9516 1 27 . 1 1 56 56 LYS CA C 56 57.710 57.710 56.766 0.944 18224 9517 1 27 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.529 0.250 18224 9518 1 27 . 1 1 56 56 LYS H H 56 7.789 7.789 7.547 0.242 18224 9519 1 27 . 1 1 57 57 LYS N N 57 118.190 118.190 119.283 -1.093 18224 9520 1 27 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.262 -0.003 18224 9521 1 27 . 1 1 57 57 LYS C C 57 176.791 176.791 177.307 -0.516 18224 9522 1 27 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.658 0.767 18224 9523 1 27 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.494 1.329 18224 9524 1 27 . 1 1 57 57 LYS H H 57 7.821 7.821 7.561 0.260 18224 9525 1 27 . 1 1 58 58 GLY N N 58 107.289 107.289 107.897 -0.608 18224 9526 1 27 . 1 1 58 58 GLY C C 58 173.607 173.607 174.538 -0.931 18224 9527 1 27 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.819 -0.345 18224 9528 1 27 . 1 1 58 58 GLY H H 58 7.927 7.927 7.637 0.290 18224 9529 1 27 . 1 1 59 59 HIS N N 59 116.847 116.847 116.749 0.098 18224 9530 1 27 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.457 0.236 18224 9531 1 27 . 1 1 59 59 HIS C C 59 174.153 174.153 174.112 0.041 18224 9532 1 27 . 1 1 59 59 HIS CA C 59 55.158 55.158 55.928 -0.770 18224 9533 1 27 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.693 -2.778 18224 9534 1 27 . 1 1 59 59 HIS H H 59 8.120 8.120 7.743 0.377 18224 9535 1 27 . 1 1 60 60 HIS N N 60 118.028 118.028 117.551 0.477 18224 9536 1 27 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.179 0.513 18224 9537 1 27 . 1 1 60 60 HIS C C 60 173.987 173.987 174.274 -0.287 18224 9538 1 27 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.224 -1.716 18224 9539 1 27 . 1 1 60 60 HIS CB C 60 28.825 28.825 28.662 0.163 18224 9540 1 27 . 1 1 60 60 HIS H H 60 8.328 8.328 8.548 -0.220 18224 9541 1 27 . 1 1 61 61 HIS N N 61 118.101 118.101 117.412 0.689 18224 9542 1 27 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.517 0.173 18224 9543 1 27 . 1 1 61 61 HIS C C 61 174.032 174.032 176.246 -2.214 18224 9544 1 27 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.588 -0.870 18224 9545 1 27 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.987 -1.092 18224 9546 1 27 . 1 1 61 61 HIS H H 61 8.351 8.351 8.082 0.269 18224 9547 1 27 . 1 1 62 62 HIS N N 62 118.704 118.704 120.675 -1.971 18224 9548 1 27 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.434 0.267 18224 9549 1 27 . 1 1 62 62 HIS C C 62 173.803 173.803 174.208 -0.405 18224 9550 1 27 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.060 -1.456 18224 9551 1 27 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.724 -1.560 18224 9552 1 27 . 1 1 62 62 HIS H H 62 8.381 8.381 8.429 -0.048 18224 9553 1 27 . 1 1 63 63 HIS N N 63 118.853 118.853 118.305 0.548 18224 9554 1 27 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.783 -0.102 18224 9555 1 27 . 1 1 63 63 HIS C C 63 173.576 173.576 174.301 -0.725 18224 9556 1 27 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.865 -0.167 18224 9557 1 27 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.749 -1.616 18224 9558 1 27 . 1 1 63 63 HIS H H 63 8.299 8.299 8.090 0.209 18224 9559 1 28 . 1 1 2 2 GLU N N 2 122.762 122.762 120.008 2.754 18224 9560 1 28 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.671 -0.233 18224 9561 1 28 . 1 1 2 2 GLU C C 2 175.581 175.581 174.871 0.710 18224 9562 1 28 . 1 1 2 2 GLU CA C 2 56.360 56.360 55.843 0.517 18224 9563 1 28 . 1 1 2 2 GLU CB C 2 29.582 29.582 31.149 -1.567 18224 9564 1 28 . 1 1 2 2 GLU H H 2 8.628 8.628 8.297 0.331 18224 9565 1 28 . 1 1 3 3 GLU N N 3 121.071 121.071 124.551 -3.480 18224 9566 1 28 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.603 -0.222 18224 9567 1 28 . 1 1 3 3 GLU C C 3 176.457 176.457 175.945 0.512 18224 9568 1 28 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.710 -0.362 18224 9569 1 28 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.856 -0.657 18224 9570 1 28 . 1 1 3 3 GLU H H 3 8.393 8.393 9.009 -0.616 18224 9571 1 28 . 1 1 4 4 GLY N N 4 109.717 109.717 109.607 0.110 18224 9572 1 28 . 1 1 4 4 GLY C C 4 174.677 174.677 174.377 0.300 18224 9573 1 28 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.004 0.637 18224 9574 1 28 . 1 1 4 4 GLY H H 4 8.377 8.377 8.253 0.124 18224 9575 1 28 . 1 1 5 5 GLY N N 5 108.373 108.373 109.749 -1.376 18224 9576 1 28 . 1 1 5 5 GLY C C 5 174.047 174.047 173.893 0.154 18224 9577 1 28 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.333 0.239 18224 9578 1 28 . 1 1 5 5 GLY H H 5 8.115 8.115 8.037 0.078 18224 9579 1 28 . 1 1 6 6 ASP N N 6 118.996 118.996 121.780 -2.784 18224 9580 1 28 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.700 -0.051 18224 9581 1 28 . 1 1 6 6 ASP C C 6 175.903 175.903 175.095 0.808 18224 9582 1 28 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.771 0.274 18224 9583 1 28 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.203 -1.859 18224 9584 1 28 . 1 1 6 6 ASP H H 6 8.166 8.166 8.275 -0.109 18224 9585 1 28 . 1 1 7 7 PHE N N 7 119.750 119.750 122.314 -2.564 18224 9586 1 28 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.774 -0.224 18224 9587 1 28 . 1 1 7 7 PHE C C 7 175.919 175.919 174.675 1.244 18224 9588 1 28 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.868 0.064 18224 9589 1 28 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.435 -1.256 18224 9590 1 28 . 1 1 7 7 PHE H H 7 8.151 8.151 8.049 0.102 18224 9591 1 28 . 1 1 8 8 ASP N N 8 118.526 118.526 122.672 -4.146 18224 9592 1 28 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.831 -0.333 18224 9593 1 28 . 1 1 8 8 ASP C C 8 175.787 175.787 175.133 0.654 18224 9594 1 28 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.204 -0.569 18224 9595 1 28 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.389 -2.186 18224 9596 1 28 . 1 1 8 8 ASP H H 8 8.161 8.161 8.592 -0.431 18224 9597 1 28 . 1 1 9 9 ASN N N 9 117.291 117.291 118.630 -1.339 18224 9598 1 28 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.690 -0.119 18224 9599 1 28 . 1 1 9 9 ASN C C 9 175.142 175.142 173.485 1.657 18224 9600 1 28 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.974 0.960 18224 9601 1 28 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.205 -0.413 18224 9602 1 28 . 1 1 9 9 ASN H H 9 8.013 8.013 8.160 -0.147 18224 9603 1 28 . 1 1 10 10 TYR N N 10 119.112 119.112 118.369 0.743 18224 9604 1 28 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.544 -0.098 18224 9605 1 28 . 1 1 10 10 TYR C C 10 175.513 175.513 174.427 1.086 18224 9606 1 28 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.891 1.083 18224 9607 1 28 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.814 0.069 18224 9608 1 28 . 1 1 10 10 TYR H H 10 7.848 7.848 8.107 -0.259 18224 9609 1 28 . 1 1 11 11 TYR N N 11 119.438 119.438 121.925 -2.487 18224 9610 1 28 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.326 0.181 18224 9611 1 28 . 1 1 11 11 TYR C C 11 175.939 175.939 176.319 -0.380 18224 9612 1 28 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.782 -0.485 18224 9613 1 28 . 1 1 11 11 TYR CB C 11 38.967 38.967 37.277 1.690 18224 9614 1 28 . 1 1 11 11 TYR H H 11 7.849 7.849 8.289 -0.440 18224 9615 1 28 . 1 1 12 12 GLY N N 12 109.685 109.685 110.581 -0.896 18224 9616 1 28 . 1 1 12 12 GLY C C 12 174.099 174.099 173.833 0.266 18224 9617 1 28 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.251 1.294 18224 9618 1 28 . 1 1 12 12 GLY H H 12 7.792 7.792 7.968 -0.176 18224 9619 1 28 . 1 1 13 13 ALA N N 13 123.072 123.072 121.857 1.215 18224 9620 1 28 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.003 0.272 18224 9621 1 28 . 1 1 13 13 ALA C C 13 177.669 177.669 177.144 0.525 18224 9622 1 28 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.188 0.782 18224 9623 1 28 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.184 1.106 18224 9624 1 28 . 1 1 13 13 ALA H H 13 7.880 7.880 8.364 -0.484 18224 9625 1 28 . 1 1 14 14 ASP N N 14 117.540 117.540 119.601 -2.061 18224 9626 1 28 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.523 0.126 18224 9627 1 28 . 1 1 14 14 ASP C C 14 175.649 175.649 175.698 -0.049 18224 9628 1 28 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.353 -0.389 18224 9629 1 28 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.737 -0.054 18224 9630 1 28 . 1 1 14 14 ASP H H 14 8.281 8.281 8.766 -0.485 18224 9631 1 28 . 1 1 15 15 ASN N N 15 118.400 118.400 117.416 0.984 18224 9632 1 28 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.791 -0.105 18224 9633 1 28 . 1 1 15 15 ASN C C 15 175.351 175.351 175.960 -0.609 18224 9634 1 28 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.020 0.588 18224 9635 1 28 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.412 -0.470 18224 9636 1 28 . 1 1 15 15 ASN H H 15 8.137 8.137 7.923 0.214 18224 9637 1 28 . 1 1 16 16 GLN N N 16 120.072 120.072 120.394 -0.322 18224 9638 1 28 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.278 0.082 18224 9639 1 28 . 1 1 16 16 GLN C C 16 176.206 176.206 175.609 0.597 18224 9640 1 28 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.256 1.146 18224 9641 1 28 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.914 2.255 18224 9642 1 28 . 1 1 16 16 GLN H H 16 8.284 8.284 7.993 0.291 18224 9643 1 28 . 1 1 17 17 SER N N 17 116.112 116.112 118.493 -2.381 18224 9644 1 28 . 1 1 17 17 SER HA H 17 4.440 4.440 4.116 0.324 18224 9645 1 28 . 1 1 17 17 SER C C 17 174.568 174.568 174.065 0.503 18224 9646 1 28 . 1 1 17 17 SER CA C 17 58.911 58.911 59.270 -0.359 18224 9647 1 28 . 1 1 17 17 SER CB C 17 63.897 63.897 63.774 0.123 18224 9648 1 28 . 1 1 17 17 SER H H 17 8.211 8.211 8.348 -0.137 18224 9649 1 28 . 1 1 18 18 GLU N N 18 121.378 121.378 127.302 -5.924 18224 9650 1 28 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.427 -0.048 18224 9651 1 28 . 1 1 18 18 GLU C C 18 175.934 175.934 175.982 -0.048 18224 9652 1 28 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.380 1.026 18224 9653 1 28 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.652 -1.519 18224 9654 1 28 . 1 1 18 18 GLU H H 18 8.262 8.262 8.389 -0.127 18224 9655 1 28 . 1 1 19 19 CYS N N 19 119.418 119.418 123.823 -4.405 18224 9656 1 28 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.700 -0.256 18224 9657 1 28 . 1 1 19 19 CYS C C 19 174.568 174.568 175.566 -0.998 18224 9658 1 28 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.697 1.142 18224 9659 1 28 . 1 1 19 19 CYS CB C 19 27.973 27.973 29.753 -1.780 18224 9660 1 28 . 1 1 19 19 CYS H H 19 8.182 8.182 8.709 -0.527 18224 9661 1 28 . 1 1 20 20 GLU N N 20 122.737 122.737 118.943 3.794 18224 9662 1 28 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.954 0.353 18224 9663 1 28 . 1 1 20 20 GLU C C 20 176.083 176.083 175.280 0.803 18224 9664 1 28 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.020 -1.480 18224 9665 1 28 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.835 0.031 18224 9666 1 28 . 1 1 20 20 GLU H H 20 8.303 8.303 9.059 -0.756 18224 9667 1 28 . 1 1 21 21 TYR N N 21 119.549 119.549 115.089 4.460 18224 9668 1 28 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.641 -0.167 18224 9669 1 28 . 1 1 21 21 TYR C C 21 175.826 175.826 175.808 0.018 18224 9670 1 28 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.355 0.316 18224 9671 1 28 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.400 0.189 18224 9672 1 28 . 1 1 21 21 TYR H H 21 7.888 7.888 8.128 -0.240 18224 9673 1 28 . 1 1 22 22 THR N N 22 112.218 112.218 114.615 -2.397 18224 9674 1 28 . 1 1 22 22 THR HA H 22 4.163 4.163 3.695 0.468 18224 9675 1 28 . 1 1 22 22 THR C C 22 174.737 174.737 175.087 -0.350 18224 9676 1 28 . 1 1 22 22 THR CA C 22 62.778 62.778 64.316 -1.538 18224 9677 1 28 . 1 1 22 22 THR CB C 22 69.531 69.531 68.791 0.740 18224 9678 1 28 . 1 1 22 22 THR H H 22 7.683 7.683 7.629 0.054 18224 9679 1 28 . 1 1 23 23 ASP N N 23 121.090 121.090 120.540 0.550 18224 9680 1 28 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.524 0.187 18224 9681 1 28 . 1 1 23 23 ASP C C 23 176.279 176.279 177.219 -0.940 18224 9682 1 28 . 1 1 23 23 ASP CA C 23 54.110 54.110 55.140 -1.030 18224 9683 1 28 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.321 -0.983 18224 9684 1 28 . 1 1 23 23 ASP H H 23 8.059 8.059 8.346 -0.287 18224 9685 1 28 . 1 1 24 24 TRP N N 24 121.546 121.546 120.797 0.749 18224 9686 1 28 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.455 0.031 18224 9687 1 28 . 1 1 24 24 TRP C C 24 177.051 177.051 176.179 0.872 18224 9688 1 28 . 1 1 24 24 TRP CA C 24 58.828 58.828 55.031 3.797 18224 9689 1 28 . 1 1 24 24 TRP CB C 24 29.068 29.068 29.205 -0.137 18224 9690 1 28 . 1 1 24 24 TRP H H 24 7.888 7.888 7.697 0.191 18224 9691 1 28 . 1 1 25 25 LYS N N 25 120.106 120.106 120.588 -0.482 18224 9692 1 28 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.759 0.231 18224 9693 1 28 . 1 1 25 25 LYS C C 25 176.764 176.764 175.226 1.538 18224 9694 1 28 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.899 0.823 18224 9695 1 28 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.200 2.101 18224 9696 1 28 . 1 1 25 25 LYS H H 25 7.620 7.620 7.904 -0.284 18224 9697 1 28 . 1 1 26 26 SER N N 26 114.114 114.114 118.465 -4.351 18224 9698 1 28 . 1 1 26 26 SER HA H 26 4.471 4.471 4.392 0.079 18224 9699 1 28 . 1 1 26 26 SER C C 26 175.124 175.124 174.143 0.981 18224 9700 1 28 . 1 1 26 26 SER CA C 26 58.757 58.757 57.373 1.384 18224 9701 1 28 . 1 1 26 26 SER CB C 26 63.812 63.812 63.077 0.735 18224 9702 1 28 . 1 1 26 26 SER H H 26 7.796 7.796 8.207 -0.410 18224 9703 1 28 . 1 1 27 27 SER N N 27 116.655 116.655 115.277 1.378 18224 9704 1 28 . 1 1 27 27 SER HA H 27 4.386 4.386 4.178 0.208 18224 9705 1 28 . 1 1 27 27 SER C C 27 175.505 175.505 173.912 1.593 18224 9706 1 28 . 1 1 27 27 SER CA C 27 59.611 59.611 58.458 1.153 18224 9707 1 28 . 1 1 27 27 SER CB C 27 64.117 64.117 62.379 1.738 18224 9708 1 28 . 1 1 27 27 SER H H 27 8.046 8.046 7.955 0.091 18224 9709 1 28 . 1 1 28 28 GLY N N 28 111.049 111.049 105.903 5.146 18224 9710 1 28 . 1 1 28 28 GLY C C 28 174.495 174.495 173.880 0.615 18224 9711 1 28 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.929 1.192 18224 9712 1 28 . 1 1 28 28 GLY H H 28 8.304 8.304 8.128 0.176 18224 9713 1 28 . 1 1 29 29 ALA N N 29 121.693 121.693 119.701 1.992 18224 9714 1 28 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.908 0.441 18224 9715 1 28 . 1 1 29 29 ALA C C 29 177.695 177.695 176.221 1.474 18224 9716 1 28 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.253 -0.142 18224 9717 1 28 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.751 2.213 18224 9718 1 28 . 1 1 29 29 ALA H H 29 7.941 7.941 8.155 -0.214 18224 9719 1 28 . 1 1 30 30 LEU N N 30 117.996 117.996 119.483 -1.487 18224 9720 1 28 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.402 -0.220 18224 9721 1 28 . 1 1 30 30 LEU C C 30 177.484 177.484 177.866 -0.382 18224 9722 1 28 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.739 2.232 18224 9723 1 28 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.343 -0.921 18224 9724 1 28 . 1 1 30 30 LEU H H 30 7.968 7.968 7.769 0.199 18224 9725 1 28 . 1 1 31 31 ILE N N 31 117.106 117.106 120.146 -3.040 18224 9726 1 28 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.177 -0.238 18224 9727 1 28 . 1 1 31 31 ILE C C 31 174.998 174.998 174.943 0.055 18224 9728 1 28 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.345 1.577 18224 9729 1 28 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.711 -0.603 18224 9730 1 28 . 1 1 31 31 ILE H H 31 8.027 8.027 7.728 0.299 18224 9731 1 28 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.329 -0.045 18224 9732 1 28 . 1 1 32 32 PRO C C 32 178.663 178.663 178.162 0.501 18224 9733 1 28 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.780 0.213 18224 9734 1 28 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.072 -0.016 18224 9735 1 28 . 1 1 33 33 ALA N N 33 119.031 119.031 117.471 1.560 18224 9736 1 28 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.253 -0.087 18224 9737 1 28 . 1 1 33 33 ALA C C 33 178.942 178.942 179.556 -0.614 18224 9738 1 28 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.552 0.988 18224 9739 1 28 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.453 0.032 18224 9740 1 28 . 1 1 33 33 ALA H H 33 7.580 7.580 8.411 -0.831 18224 9741 1 28 . 1 1 34 34 ILE N N 34 117.923 117.923 117.185 0.738 18224 9742 1 28 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.874 -0.175 18224 9743 1 28 . 1 1 34 34 ILE C C 34 177.833 177.833 176.366 1.467 18224 9744 1 28 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.332 1.780 18224 9745 1 28 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.011 -0.660 18224 9746 1 28 . 1 1 34 34 ILE H H 34 8.234 8.234 7.729 0.505 18224 9747 1 28 . 1 1 35 35 TYR N N 35 118.746 118.746 120.197 -1.451 18224 9748 1 28 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.263 -0.148 18224 9749 1 28 . 1 1 35 35 TYR C C 35 178.044 178.044 177.586 0.458 18224 9750 1 28 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.235 -0.477 18224 9751 1 28 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.078 -1.063 18224 9752 1 28 . 1 1 35 35 TYR H H 35 8.355 8.355 7.450 0.905 18224 9753 1 28 . 1 1 36 36 MET N N 36 117.813 117.813 118.847 -1.034 18224 9754 1 28 . 1 1 36 36 MET HA H 36 4.281 4.281 4.322 -0.041 18224 9755 1 28 . 1 1 36 36 MET C C 36 178.139 178.139 178.565 -0.426 18224 9756 1 28 . 1 1 36 36 MET CA C 36 58.482 58.482 59.217 -0.735 18224 9757 1 28 . 1 1 36 36 MET CB C 36 31.716 31.716 32.670 -0.954 18224 9758 1 28 . 1 1 36 36 MET H H 36 8.107 8.107 7.864 0.243 18224 9759 1 28 . 1 1 37 37 LEU N N 37 120.311 120.311 119.956 0.355 18224 9760 1 28 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.113 -0.038 18224 9761 1 28 . 1 1 37 37 LEU C C 37 178.399 178.399 177.494 0.905 18224 9762 1 28 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.048 1.421 18224 9763 1 28 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.978 -0.025 18224 9764 1 28 . 1 1 37 37 LEU H H 37 8.229 8.229 7.822 0.407 18224 9765 1 28 . 1 1 38 38 VAL N N 38 118.080 118.080 116.650 1.430 18224 9766 1 28 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.125 -0.600 18224 9767 1 28 . 1 1 38 38 VAL C C 38 178.139 178.139 175.238 2.901 18224 9768 1 28 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.274 4.878 18224 9769 1 28 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.502 -2.053 18224 9770 1 28 . 1 1 38 38 VAL H H 38 8.363 8.363 7.504 0.859 18224 9771 1 28 . 1 1 39 39 PHE N N 39 120.151 120.151 121.238 -1.087 18224 9772 1 28 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.776 -0.553 18224 9773 1 28 . 1 1 39 39 PHE C C 39 178.544 178.544 174.625 3.919 18224 9774 1 28 . 1 1 39 39 PHE CA C 39 61.326 61.326 58.063 3.263 18224 9775 1 28 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.111 -2.195 18224 9776 1 28 . 1 1 39 39 PHE H H 39 8.306 8.306 8.218 0.088 18224 9777 1 28 . 1 1 40 40 LEU N N 40 121.004 121.004 116.034 4.970 18224 9778 1 28 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.776 -0.753 18224 9779 1 28 . 1 1 40 40 LEU C C 40 179.704 179.704 175.733 3.971 18224 9780 1 28 . 1 1 40 40 LEU CA C 40 57.938 57.938 54.882 3.056 18224 9781 1 28 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.378 -0.086 18224 9782 1 28 . 1 1 40 40 LEU H H 40 8.567 8.567 7.386 1.181 18224 9783 1 28 . 1 1 41 41 LEU N N 41 119.593 119.593 118.241 1.352 18224 9784 1 28 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.409 -0.348 18224 9785 1 28 . 1 1 41 41 LEU C C 41 178.966 178.966 177.338 1.628 18224 9786 1 28 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.527 1.169 18224 9787 1 28 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.650 0.142 18224 9788 1 28 . 1 1 41 41 LEU H H 41 8.503 8.503 7.715 0.788 18224 9789 1 28 . 1 1 42 42 GLY N N 42 105.838 105.838 105.112 0.726 18224 9790 1 28 . 1 1 42 42 GLY C C 42 175.587 175.587 174.154 1.433 18224 9791 1 28 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.459 2.111 18224 9792 1 28 . 1 1 42 42 GLY H H 42 8.355 8.355 8.117 0.238 18224 9793 1 28 . 1 1 43 43 THR N N 43 112.333 112.333 112.483 -0.150 18224 9794 1 28 . 1 1 43 43 THR HA H 43 4.290 4.290 4.438 -0.148 18224 9795 1 28 . 1 1 43 43 THR C C 43 175.765 175.765 173.575 2.190 18224 9796 1 28 . 1 1 43 43 THR CA C 43 63.680 63.680 60.703 2.977 18224 9797 1 28 . 1 1 43 43 THR CB C 43 69.626 69.626 68.656 0.970 18224 9798 1 28 . 1 1 43 43 THR H H 43 7.895 7.895 7.455 0.440 18224 9799 1 28 . 1 1 44 44 THR N N 44 112.041 112.041 121.516 -9.475 18224 9800 1 28 . 1 1 44 44 THR HA H 44 4.388 4.388 4.330 0.058 18224 9801 1 28 . 1 1 44 44 THR C C 44 175.555 175.555 174.116 1.439 18224 9802 1 28 . 1 1 44 44 THR CA C 44 62.732 62.732 63.589 -0.857 18224 9803 1 28 . 1 1 44 44 THR CB C 44 70.240 70.240 69.559 0.680 18224 9804 1 28 . 1 1 44 44 THR H H 44 7.684 7.684 8.364 -0.680 18224 9805 1 28 . 1 1 45 45 GLY N N 45 109.756 109.756 111.147 -1.391 18224 9806 1 28 . 1 1 45 45 GLY C C 45 174.948 174.948 173.242 1.706 18224 9807 1 28 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.063 1.289 18224 9808 1 28 . 1 1 45 45 GLY H H 45 8.058 8.058 8.637 -0.579 18224 9809 1 28 . 1 1 46 46 ASN N N 46 117.561 117.561 118.073 -0.512 18224 9810 1 28 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.469 0.376 18224 9811 1 28 . 1 1 46 46 ASN C C 46 175.853 175.853 174.757 1.096 18224 9812 1 28 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.329 0.763 18224 9813 1 28 . 1 1 46 46 ASN CB C 46 39.513 39.513 36.288 3.225 18224 9814 1 28 . 1 1 46 46 ASN H H 46 8.202 8.202 8.062 0.140 18224 9815 1 28 . 1 1 47 47 GLY N N 47 108.715 108.715 107.802 0.913 18224 9816 1 28 . 1 1 47 47 GLY C C 47 174.431 174.431 173.955 0.476 18224 9817 1 28 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.568 1.593 18224 9818 1 28 . 1 1 47 47 GLY H H 47 8.600 8.600 8.952 -0.352 18224 9819 1 28 . 1 1 48 48 LEU N N 48 120.089 120.089 120.798 -0.709 18224 9820 1 28 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.774 -0.455 18224 9821 1 28 . 1 1 48 48 LEU C C 48 179.243 179.243 177.422 1.821 18224 9822 1 28 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.357 1.959 18224 9823 1 28 . 1 1 48 48 LEU CB C 48 41.838 41.838 44.119 -2.281 18224 9824 1 28 . 1 1 48 48 LEU H H 48 8.003 8.003 7.591 0.412 18224 9825 1 28 . 1 1 49 49 VAL N N 49 120.573 120.573 119.954 0.619 18224 9826 1 28 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.810 0.011 18224 9827 1 28 . 1 1 49 49 VAL C C 49 177.520 177.520 177.461 0.059 18224 9828 1 28 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.901 0.161 18224 9829 1 28 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.516 -0.028 18224 9830 1 28 . 1 1 49 49 VAL H H 49 7.910 7.910 7.611 0.299 18224 9831 1 28 . 1 1 50 50 LEU N N 50 119.718 119.718 118.948 0.770 18224 9832 1 28 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.198 -0.171 18224 9833 1 28 . 1 1 50 50 LEU C C 50 178.169 178.169 178.693 -0.524 18224 9834 1 28 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.378 0.674 18224 9835 1 28 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.104 0.637 18224 9836 1 28 . 1 1 50 50 LEU H H 50 7.860 7.860 7.867 -0.007 18224 9837 1 28 . 1 1 51 51 TRP N N 51 118.071 118.071 120.522 -2.451 18224 9838 1 28 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.420 0.122 18224 9839 1 28 . 1 1 51 51 TRP C C 51 177.296 177.296 176.991 0.305 18224 9840 1 28 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.226 -0.308 18224 9841 1 28 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.626 1.349 18224 9842 1 28 . 1 1 51 51 TRP H H 51 8.109 8.109 8.285 -0.176 18224 9843 1 28 . 1 1 52 52 THR N N 52 113.243 113.243 114.328 -1.085 18224 9844 1 28 . 1 1 52 52 THR HA H 52 3.773 3.773 3.801 -0.028 18224 9845 1 28 . 1 1 52 52 THR C C 52 176.402 176.402 175.809 0.593 18224 9846 1 28 . 1 1 52 52 THR CA C 52 66.690 66.690 66.517 0.173 18224 9847 1 28 . 1 1 52 52 THR CB C 52 68.921 68.921 68.861 0.060 18224 9848 1 28 . 1 1 52 52 THR H H 52 8.072 8.072 7.683 0.389 18224 9849 1 28 . 1 1 53 53 VAL N N 53 120.307 120.307 121.437 -1.130 18224 9850 1 28 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.788 -0.125 18224 9851 1 28 . 1 1 53 53 VAL C C 53 177.362 177.362 177.044 0.318 18224 9852 1 28 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.678 0.614 18224 9853 1 28 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.504 0.213 18224 9854 1 28 . 1 1 53 53 VAL H H 53 8.006 8.006 7.583 0.423 18224 9855 1 28 . 1 1 54 54 PHE N N 54 119.041 119.041 119.584 -0.543 18224 9856 1 28 . 1 1 54 54 PHE HA H 54 4.228 4.228 3.991 0.237 18224 9857 1 28 . 1 1 54 54 PHE C C 54 177.476 177.476 176.336 1.140 18224 9858 1 28 . 1 1 54 54 PHE CA C 54 60.892 60.892 61.170 -0.278 18224 9859 1 28 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.297 -0.701 18224 9860 1 28 . 1 1 54 54 PHE H H 54 8.143 8.143 8.142 0.001 18224 9861 1 28 . 1 1 55 55 ARG N N 55 117.543 117.543 117.530 0.013 18224 9862 1 28 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.650 0.213 18224 9863 1 28 . 1 1 55 55 ARG C C 55 177.832 177.832 177.520 0.312 18224 9864 1 28 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.707 -0.001 18224 9865 1 28 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.832 -0.356 18224 9866 1 28 . 1 1 55 55 ARG H H 55 8.112 8.112 7.592 0.520 18224 9867 1 28 . 1 1 56 56 LYS N N 56 118.390 118.390 118.979 -0.589 18224 9868 1 28 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.921 0.242 18224 9869 1 28 . 1 1 56 56 LYS C C 56 177.400 177.400 178.448 -1.048 18224 9870 1 28 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.573 -0.863 18224 9871 1 28 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.174 0.605 18224 9872 1 28 . 1 1 56 56 LYS H H 56 7.789 7.789 7.983 -0.194 18224 9873 1 28 . 1 1 57 57 LYS N N 57 118.190 118.190 118.681 -0.491 18224 9874 1 28 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.304 -0.045 18224 9875 1 28 . 1 1 57 57 LYS C C 57 176.791 176.791 176.960 -0.169 18224 9876 1 28 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.968 0.457 18224 9877 1 28 . 1 1 57 57 LYS CB C 57 32.823 32.823 29.877 2.946 18224 9878 1 28 . 1 1 57 57 LYS H H 57 7.821 7.821 7.536 0.285 18224 9879 1 28 . 1 1 58 58 GLY N N 58 107.289 107.289 109.634 -2.345 18224 9880 1 28 . 1 1 58 58 GLY C C 58 173.607 173.607 174.259 -0.652 18224 9881 1 28 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.642 0.832 18224 9882 1 28 . 1 1 58 58 GLY H H 58 7.927 7.927 8.718 -0.791 18224 9883 1 28 . 1 1 59 59 HIS N N 59 116.847 116.847 116.576 0.271 18224 9884 1 28 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.679 0.014 18224 9885 1 28 . 1 1 59 59 HIS C C 59 174.153 174.153 175.873 -1.720 18224 9886 1 28 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.106 -0.948 18224 9887 1 28 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.439 -1.524 18224 9888 1 28 . 1 1 59 59 HIS H H 59 8.120 8.120 7.847 0.273 18224 9889 1 28 . 1 1 60 60 HIS N N 60 118.028 118.028 119.267 -1.239 18224 9890 1 28 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.447 0.245 18224 9891 1 28 . 1 1 60 60 HIS C C 60 173.987 173.987 175.859 -1.872 18224 9892 1 28 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.350 -1.842 18224 9893 1 28 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.494 -1.669 18224 9894 1 28 . 1 1 60 60 HIS H H 60 8.328 8.328 8.144 0.184 18224 9895 1 28 . 1 1 61 61 HIS N N 61 118.101 118.101 120.003 -1.902 18224 9896 1 28 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.258 0.432 18224 9897 1 28 . 1 1 61 61 HIS C C 61 174.032 174.032 175.669 -1.637 18224 9898 1 28 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.486 -0.769 18224 9899 1 28 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.350 -1.455 18224 9900 1 28 . 1 1 61 61 HIS H H 61 8.351 8.351 8.504 -0.153 18224 9901 1 28 . 1 1 62 62 HIS N N 62 118.704 118.704 119.242 -0.538 18224 9902 1 28 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.488 0.213 18224 9903 1 28 . 1 1 62 62 HIS C C 62 173.803 173.803 175.414 -1.611 18224 9904 1 28 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.047 -0.443 18224 9905 1 28 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.264 -1.101 18224 9906 1 28 . 1 1 62 62 HIS H H 62 8.381 8.381 8.031 0.350 18224 9907 1 28 . 1 1 63 63 HIS N N 63 118.853 118.853 117.607 1.246 18224 9908 1 28 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.571 0.110 18224 9909 1 28 . 1 1 63 63 HIS C C 63 173.576 173.576 174.722 -1.146 18224 9910 1 28 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.788 -0.090 18224 9911 1 28 . 1 1 63 63 HIS CB C 63 29.133 29.133 31.238 -2.106 18224 9912 1 28 . 1 1 63 63 HIS H H 63 8.299 8.299 9.069 -0.770 18224 9913 1 29 . 1 1 2 2 GLU N N 2 122.762 122.762 122.012 0.750 18224 9914 1 29 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.686 -0.248 18224 9915 1 29 . 1 1 2 2 GLU C C 2 175.581 175.581 174.913 0.668 18224 9916 1 29 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.917 -0.557 18224 9917 1 29 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.941 -0.359 18224 9918 1 29 . 1 1 2 2 GLU H H 2 8.628 8.628 8.765 -0.137 18224 9919 1 29 . 1 1 3 3 GLU N N 3 121.071 121.071 121.756 -0.685 18224 9920 1 29 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.333 0.048 18224 9921 1 29 . 1 1 3 3 GLU C C 3 176.457 176.457 176.194 0.263 18224 9922 1 29 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.721 -0.373 18224 9923 1 29 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.064 -0.865 18224 9924 1 29 . 1 1 3 3 GLU H H 3 8.393 8.393 8.310 0.083 18224 9925 1 29 . 1 1 4 4 GLY N N 4 109.717 109.717 111.616 -1.899 18224 9926 1 29 . 1 1 4 4 GLY C C 4 174.677 174.677 174.055 0.622 18224 9927 1 29 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.569 1.072 18224 9928 1 29 . 1 1 4 4 GLY H H 4 8.377 8.377 8.654 -0.277 18224 9929 1 29 . 1 1 5 5 GLY N N 5 108.373 108.373 108.185 0.188 18224 9930 1 29 . 1 1 5 5 GLY C C 5 174.047 174.047 174.305 -0.258 18224 9931 1 29 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.879 0.693 18224 9932 1 29 . 1 1 5 5 GLY H H 5 8.115 8.115 8.116 -0.001 18224 9933 1 29 . 1 1 6 6 ASP N N 6 118.996 118.996 125.285 -6.289 18224 9934 1 29 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.786 -0.137 18224 9935 1 29 . 1 1 6 6 ASP C C 6 175.903 175.903 176.456 -0.553 18224 9936 1 29 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.108 -0.063 18224 9937 1 29 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.665 -3.321 18224 9938 1 29 . 1 1 6 6 ASP H H 6 8.166 8.166 8.496 -0.330 18224 9939 1 29 . 1 1 7 7 PHE N N 7 119.750 119.750 119.086 0.664 18224 9940 1 29 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.855 -0.305 18224 9941 1 29 . 1 1 7 7 PHE C C 7 175.919 175.919 175.677 0.242 18224 9942 1 29 . 1 1 7 7 PHE CA C 7 58.932 58.932 56.898 2.034 18224 9943 1 29 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.639 -0.459 18224 9944 1 29 . 1 1 7 7 PHE H H 7 8.151 8.151 7.898 0.253 18224 9945 1 29 . 1 1 8 8 ASP N N 8 118.526 118.526 119.543 -1.017 18224 9946 1 29 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.312 0.186 18224 9947 1 29 . 1 1 8 8 ASP C C 8 175.787 175.787 174.716 1.071 18224 9948 1 29 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.963 -0.328 18224 9949 1 29 . 1 1 8 8 ASP CB C 8 39.203 39.203 39.947 -0.744 18224 9950 1 29 . 1 1 8 8 ASP H H 8 8.161 8.161 8.652 -0.491 18224 9951 1 29 . 1 1 9 9 ASN N N 9 117.291 117.291 117.393 -0.102 18224 9952 1 29 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.682 -0.111 18224 9953 1 29 . 1 1 9 9 ASN C C 9 175.142 175.142 173.251 1.891 18224 9954 1 29 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.738 1.196 18224 9955 1 29 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.785 0.007 18224 9956 1 29 . 1 1 9 9 ASN H H 9 8.013 8.013 8.560 -0.547 18224 9957 1 29 . 1 1 10 10 TYR N N 10 119.112 119.112 118.051 1.061 18224 9958 1 29 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.763 -0.317 18224 9959 1 29 . 1 1 10 10 TYR C C 10 175.513 175.513 175.566 -0.053 18224 9960 1 29 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.537 1.437 18224 9961 1 29 . 1 1 10 10 TYR CB C 10 38.883 38.883 40.252 -1.369 18224 9962 1 29 . 1 1 10 10 TYR H H 10 7.848 7.848 7.702 0.146 18224 9963 1 29 . 1 1 11 11 TYR N N 11 119.438 119.438 123.800 -4.362 18224 9964 1 29 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.493 0.014 18224 9965 1 29 . 1 1 11 11 TYR C C 11 175.939 175.939 176.807 -0.868 18224 9966 1 29 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.013 -0.716 18224 9967 1 29 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.178 -0.211 18224 9968 1 29 . 1 1 11 11 TYR H H 11 7.849 7.849 8.898 -1.049 18224 9969 1 29 . 1 1 12 12 GLY N N 12 109.685 109.685 106.720 2.965 18224 9970 1 29 . 1 1 12 12 GLY C C 12 174.099 174.099 173.369 0.730 18224 9971 1 29 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.439 1.106 18224 9972 1 29 . 1 1 12 12 GLY H H 12 7.792 7.792 8.037 -0.246 18224 9973 1 29 . 1 1 13 13 ALA N N 13 123.072 123.072 127.196 -4.124 18224 9974 1 29 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.634 -0.359 18224 9975 1 29 . 1 1 13 13 ALA C C 13 177.669 177.669 176.958 0.711 18224 9976 1 29 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.376 1.594 18224 9977 1 29 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.580 0.710 18224 9978 1 29 . 1 1 13 13 ALA H H 13 7.880 7.880 8.380 -0.500 18224 9979 1 29 . 1 1 14 14 ASP N N 14 117.540 117.540 120.975 -3.435 18224 9980 1 29 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.681 -0.032 18224 9981 1 29 . 1 1 14 14 ASP C C 14 175.649 175.649 175.890 -0.241 18224 9982 1 29 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.118 0.846 18224 9983 1 29 . 1 1 14 14 ASP CB C 14 39.683 39.683 40.678 -0.995 18224 9984 1 29 . 1 1 14 14 ASP H H 14 8.281 8.281 7.942 0.339 18224 9985 1 29 . 1 1 15 15 ASN N N 15 118.400 118.400 118.042 0.358 18224 9986 1 29 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.675 0.011 18224 9987 1 29 . 1 1 15 15 ASN C C 15 175.351 175.351 176.395 -1.044 18224 9988 1 29 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.764 -0.156 18224 9989 1 29 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.113 0.829 18224 9990 1 29 . 1 1 15 15 ASN H H 15 8.137 8.137 8.314 -0.177 18224 9991 1 29 . 1 1 16 16 GLN N N 16 120.072 120.072 119.855 0.217 18224 9992 1 29 . 1 1 16 16 GLN HA H 16 4.360 4.360 3.977 0.383 18224 9993 1 29 . 1 1 16 16 GLN C C 16 176.206 176.206 176.159 0.047 18224 9994 1 29 . 1 1 16 16 GLN CA C 16 56.402 56.402 57.038 -0.636 18224 9995 1 29 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.323 0.846 18224 9996 1 29 . 1 1 16 16 GLN H H 16 8.284 8.284 8.377 -0.093 18224 9997 1 29 . 1 1 17 17 SER N N 17 116.112 116.112 114.614 1.498 18224 9998 1 29 . 1 1 17 17 SER HA H 17 4.440 4.440 4.072 0.368 18224 9999 1 29 . 1 1 17 17 SER C C 17 174.568 174.568 174.003 0.565 18224 10000 1 29 . 1 1 17 17 SER CA C 17 58.911 58.911 58.356 0.555 18224 10001 1 29 . 1 1 17 17 SER CB C 17 63.897 63.897 62.556 1.341 18224 10002 1 29 . 1 1 17 17 SER H H 17 8.211 8.211 8.140 0.071 18224 10003 1 29 . 1 1 18 18 GLU N N 18 121.378 121.378 118.347 3.031 18224 10004 1 29 . 1 1 18 18 GLU HA H 18 4.379 4.379 3.929 0.450 18224 10005 1 29 . 1 1 18 18 GLU C C 18 175.934 175.934 175.935 -0.001 18224 10006 1 29 . 1 1 18 18 GLU CA C 18 56.406 56.406 59.146 -2.740 18224 10007 1 29 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.148 -1.015 18224 10008 1 29 . 1 1 18 18 GLU H H 18 8.262 8.262 8.166 0.096 18224 10009 1 29 . 1 1 19 19 CYS N N 19 119.418 119.418 118.273 1.145 18224 10010 1 29 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.118 0.326 18224 10011 1 29 . 1 1 19 19 CYS C C 19 174.568 174.568 175.115 -0.547 18224 10012 1 29 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.788 -0.949 18224 10013 1 29 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.274 -0.301 18224 10014 1 29 . 1 1 19 19 CYS H H 19 8.182 8.182 8.571 -0.389 18224 10015 1 29 . 1 1 20 20 GLU N N 20 122.737 122.737 121.057 1.680 18224 10016 1 29 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.094 0.213 18224 10017 1 29 . 1 1 20 20 GLU C C 20 176.083 176.083 175.169 0.914 18224 10018 1 29 . 1 1 20 20 GLU CA C 20 56.540 56.540 59.071 -2.531 18224 10019 1 29 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.118 -0.252 18224 10020 1 29 . 1 1 20 20 GLU H H 20 8.303 8.303 9.095 -0.792 18224 10021 1 29 . 1 1 21 21 TYR N N 21 119.549 119.549 115.875 3.674 18224 10022 1 29 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.768 -0.294 18224 10023 1 29 . 1 1 21 21 TYR C C 21 175.826 175.826 174.857 0.969 18224 10024 1 29 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.807 -1.136 18224 10025 1 29 . 1 1 21 21 TYR CB C 21 38.589 38.589 39.432 -0.843 18224 10026 1 29 . 1 1 21 21 TYR H H 21 7.888 7.888 7.920 -0.032 18224 10027 1 29 . 1 1 22 22 THR N N 22 112.218 112.218 113.430 -1.212 18224 10028 1 29 . 1 1 22 22 THR HA H 22 4.163 4.163 3.834 0.329 18224 10029 1 29 . 1 1 22 22 THR C C 22 174.737 174.737 174.351 0.386 18224 10030 1 29 . 1 1 22 22 THR CA C 22 62.778 62.778 63.577 -0.799 18224 10031 1 29 . 1 1 22 22 THR CB C 22 69.531 69.531 68.819 0.713 18224 10032 1 29 . 1 1 22 22 THR H H 22 7.683 7.683 7.696 -0.013 18224 10033 1 29 . 1 1 23 23 ASP N N 23 121.090 121.090 118.920 2.170 18224 10034 1 29 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.704 0.007 18224 10035 1 29 . 1 1 23 23 ASP C C 23 176.279 176.279 176.995 -0.716 18224 10036 1 29 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.180 0.930 18224 10037 1 29 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.946 -1.608 18224 10038 1 29 . 1 1 23 23 ASP H H 23 8.059 8.059 8.106 -0.047 18224 10039 1 29 . 1 1 24 24 TRP N N 24 121.546 121.546 120.914 0.632 18224 10040 1 29 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.509 -0.023 18224 10041 1 29 . 1 1 24 24 TRP C C 24 177.051 177.051 176.130 0.921 18224 10042 1 29 . 1 1 24 24 TRP CA C 24 58.828 58.828 56.145 2.683 18224 10043 1 29 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.390 0.678 18224 10044 1 29 . 1 1 24 24 TRP H H 24 7.888 7.888 7.654 0.234 18224 10045 1 29 . 1 1 25 25 LYS N N 25 120.106 120.106 119.775 0.331 18224 10046 1 29 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.902 0.088 18224 10047 1 29 . 1 1 25 25 LYS C C 25 176.764 176.764 175.397 1.367 18224 10048 1 29 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.498 0.224 18224 10049 1 29 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.358 1.943 18224 10050 1 29 . 1 1 25 25 LYS H H 25 7.620 7.620 7.826 -0.206 18224 10051 1 29 . 1 1 26 26 SER N N 26 114.114 114.114 118.913 -4.799 18224 10052 1 29 . 1 1 26 26 SER HA H 26 4.471 4.471 4.472 -0.001 18224 10053 1 29 . 1 1 26 26 SER C C 26 175.124 175.124 173.109 2.015 18224 10054 1 29 . 1 1 26 26 SER CA C 26 58.757 58.757 57.529 1.228 18224 10055 1 29 . 1 1 26 26 SER CB C 26 63.812 63.812 63.870 -0.058 18224 10056 1 29 . 1 1 26 26 SER H H 26 7.796 7.796 8.575 -0.779 18224 10057 1 29 . 1 1 27 27 SER N N 27 116.655 116.655 114.886 1.769 18224 10058 1 29 . 1 1 27 27 SER HA H 27 4.386 4.386 4.197 0.189 18224 10059 1 29 . 1 1 27 27 SER C C 27 175.505 175.505 175.363 0.142 18224 10060 1 29 . 1 1 27 27 SER CA C 27 59.611 59.611 59.102 0.509 18224 10061 1 29 . 1 1 27 27 SER CB C 27 64.117 64.117 62.411 1.706 18224 10062 1 29 . 1 1 27 27 SER H H 27 8.046 8.046 8.447 -0.401 18224 10063 1 29 . 1 1 28 28 GLY N N 28 111.049 111.049 106.415 4.634 18224 10064 1 29 . 1 1 28 28 GLY C C 28 174.495 174.495 174.227 0.268 18224 10065 1 29 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.384 0.737 18224 10066 1 29 . 1 1 28 28 GLY H H 28 8.304 8.304 8.434 -0.130 18224 10067 1 29 . 1 1 29 29 ALA N N 29 121.693 121.693 119.811 1.882 18224 10068 1 29 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.904 0.445 18224 10069 1 29 . 1 1 29 29 ALA C C 29 177.695 177.695 177.041 0.654 18224 10070 1 29 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.217 -0.106 18224 10071 1 29 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.907 2.057 18224 10072 1 29 . 1 1 29 29 ALA H H 29 7.941 7.941 7.555 0.386 18224 10073 1 29 . 1 1 30 30 LEU N N 30 117.996 117.996 118.233 -0.237 18224 10074 1 29 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.541 -0.359 18224 10075 1 29 . 1 1 30 30 LEU C C 30 177.484 177.484 176.538 0.946 18224 10076 1 29 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.030 2.940 18224 10077 1 29 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.432 -1.010 18224 10078 1 29 . 1 1 30 30 LEU H H 30 7.968 7.968 8.016 -0.048 18224 10079 1 29 . 1 1 31 31 ILE N N 31 117.106 117.106 118.451 -1.345 18224 10080 1 29 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.184 -0.245 18224 10081 1 29 . 1 1 31 31 ILE C C 31 174.998 174.998 174.885 0.113 18224 10082 1 29 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.753 3.169 18224 10083 1 29 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.951 -1.843 18224 10084 1 29 . 1 1 31 31 ILE H H 31 8.027 8.027 8.111 -0.084 18224 10085 1 29 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.382 -0.098 18224 10086 1 29 . 1 1 32 32 PRO C C 32 178.663 178.663 178.077 0.586 18224 10087 1 29 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.161 -0.168 18224 10088 1 29 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.285 -0.229 18224 10089 1 29 . 1 1 33 33 ALA N N 33 119.031 119.031 118.967 0.064 18224 10090 1 29 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.088 0.078 18224 10091 1 29 . 1 1 33 33 ALA C C 33 178.942 178.942 179.175 -0.233 18224 10092 1 29 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.516 1.024 18224 10093 1 29 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.172 0.313 18224 10094 1 29 . 1 1 33 33 ALA H H 33 7.580 7.580 8.576 -0.996 18224 10095 1 29 . 1 1 34 34 ILE N N 34 117.923 117.923 117.270 0.653 18224 10096 1 29 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.911 -0.212 18224 10097 1 29 . 1 1 34 34 ILE C C 34 177.833 177.833 177.381 0.452 18224 10098 1 29 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.136 1.976 18224 10099 1 29 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.867 -0.516 18224 10100 1 29 . 1 1 34 34 ILE H H 34 8.234 8.234 7.393 0.841 18224 10101 1 29 . 1 1 35 35 TYR N N 35 118.746 118.746 120.125 -1.379 18224 10102 1 29 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.158 -0.043 18224 10103 1 29 . 1 1 35 35 TYR C C 35 178.044 178.044 178.294 -0.250 18224 10104 1 29 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.321 -0.563 18224 10105 1 29 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.629 -0.614 18224 10106 1 29 . 1 1 35 35 TYR H H 35 8.355 8.355 7.910 0.445 18224 10107 1 29 . 1 1 36 36 MET N N 36 117.813 117.813 117.856 -0.043 18224 10108 1 29 . 1 1 36 36 MET HA H 36 4.281 4.281 4.271 0.010 18224 10109 1 29 . 1 1 36 36 MET C C 36 178.139 178.139 177.883 0.256 18224 10110 1 29 . 1 1 36 36 MET CA C 36 58.482 58.482 58.714 -0.232 18224 10111 1 29 . 1 1 36 36 MET CB C 36 31.716 31.716 32.031 -0.315 18224 10112 1 29 . 1 1 36 36 MET H H 36 8.107 8.107 8.848 -0.741 18224 10113 1 29 . 1 1 37 37 LEU N N 37 120.311 120.311 120.901 -0.590 18224 10114 1 29 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.229 -0.154 18224 10115 1 29 . 1 1 37 37 LEU C C 37 178.399 178.399 177.480 0.919 18224 10116 1 29 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.836 0.634 18224 10117 1 29 . 1 1 37 37 LEU CB C 37 41.953 41.953 42.012 -0.059 18224 10118 1 29 . 1 1 37 37 LEU H H 37 8.229 8.229 7.731 0.498 18224 10119 1 29 . 1 1 38 38 VAL N N 38 118.080 118.080 116.442 1.638 18224 10120 1 29 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.082 -0.557 18224 10121 1 29 . 1 1 38 38 VAL C C 38 178.139 178.139 176.038 2.101 18224 10122 1 29 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.207 4.945 18224 10123 1 29 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.122 0.328 18224 10124 1 29 . 1 1 38 38 VAL H H 38 8.363 8.363 7.587 0.776 18224 10125 1 29 . 1 1 39 39 PHE N N 39 120.151 120.151 122.069 -1.918 18224 10126 1 29 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.563 -0.340 18224 10127 1 29 . 1 1 39 39 PHE C C 39 178.544 178.544 176.770 1.774 18224 10128 1 29 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.174 0.152 18224 10129 1 29 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.141 -2.225 18224 10130 1 29 . 1 1 39 39 PHE H H 39 8.306 8.306 7.687 0.619 18224 10131 1 29 . 1 1 40 40 LEU N N 40 121.004 121.004 118.219 2.785 18224 10132 1 29 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.075 -0.052 18224 10133 1 29 . 1 1 40 40 LEU C C 40 179.704 179.704 176.964 2.740 18224 10134 1 29 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.080 0.858 18224 10135 1 29 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.276 1.016 18224 10136 1 29 . 1 1 40 40 LEU H H 40 8.567 8.567 7.843 0.724 18224 10137 1 29 . 1 1 41 41 LEU N N 41 119.593 119.593 115.734 3.859 18224 10138 1 29 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.421 -0.360 18224 10139 1 29 . 1 1 41 41 LEU C C 41 178.966 178.966 176.950 2.016 18224 10140 1 29 . 1 1 41 41 LEU CA C 41 57.696 57.696 54.406 3.290 18224 10141 1 29 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.943 -0.151 18224 10142 1 29 . 1 1 41 41 LEU H H 41 8.503 8.503 7.859 0.644 18224 10143 1 29 . 1 1 42 42 GLY N N 42 105.838 105.838 105.024 0.814 18224 10144 1 29 . 1 1 42 42 GLY C C 42 175.587 175.587 174.363 1.224 18224 10145 1 29 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.880 0.690 18224 10146 1 29 . 1 1 42 42 GLY H H 42 8.355 8.355 8.104 0.251 18224 10147 1 29 . 1 1 43 43 THR N N 43 112.333 112.333 114.728 -2.395 18224 10148 1 29 . 1 1 43 43 THR HA H 43 4.290 4.290 4.306 -0.016 18224 10149 1 29 . 1 1 43 43 THR C C 43 175.765 175.765 174.535 1.230 18224 10150 1 29 . 1 1 43 43 THR CA C 43 63.680 63.680 63.178 0.502 18224 10151 1 29 . 1 1 43 43 THR CB C 43 69.626 69.626 69.127 0.499 18224 10152 1 29 . 1 1 43 43 THR H H 43 7.895 7.895 7.786 0.109 18224 10153 1 29 . 1 1 44 44 THR N N 44 112.041 112.041 113.571 -1.530 18224 10154 1 29 . 1 1 44 44 THR HA H 44 4.388 4.388 4.652 -0.264 18224 10155 1 29 . 1 1 44 44 THR C C 44 175.555 175.555 175.016 0.539 18224 10156 1 29 . 1 1 44 44 THR CA C 44 62.732 62.732 61.659 1.073 18224 10157 1 29 . 1 1 44 44 THR CB C 44 70.240 70.240 69.808 0.432 18224 10158 1 29 . 1 1 44 44 THR H H 44 7.684 7.684 7.601 0.083 18224 10159 1 29 . 1 1 45 45 GLY N N 45 109.756 109.756 109.283 0.473 18224 10160 1 29 . 1 1 45 45 GLY C C 45 174.948 174.948 173.303 1.645 18224 10161 1 29 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.303 1.049 18224 10162 1 29 . 1 1 45 45 GLY H H 45 8.058 8.058 8.299 -0.241 18224 10163 1 29 . 1 1 46 46 ASN N N 46 117.561 117.561 118.394 -0.833 18224 10164 1 29 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.513 0.332 18224 10165 1 29 . 1 1 46 46 ASN C C 46 175.853 175.853 175.026 0.827 18224 10166 1 29 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.905 0.187 18224 10167 1 29 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.451 1.062 18224 10168 1 29 . 1 1 46 46 ASN H H 46 8.202 8.202 8.478 -0.276 18224 10169 1 29 . 1 1 47 47 GLY N N 47 108.715 108.715 109.339 -0.624 18224 10170 1 29 . 1 1 47 47 GLY C C 47 174.431 174.431 173.505 0.926 18224 10171 1 29 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.188 1.973 18224 10172 1 29 . 1 1 47 47 GLY H H 47 8.600 8.600 8.313 0.287 18224 10173 1 29 . 1 1 48 48 LEU N N 48 120.089 120.089 120.633 -0.544 18224 10174 1 29 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.757 -0.438 18224 10175 1 29 . 1 1 48 48 LEU C C 48 179.243 179.243 178.010 1.233 18224 10176 1 29 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.211 2.105 18224 10177 1 29 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.451 -1.613 18224 10178 1 29 . 1 1 48 48 LEU H H 48 8.003 8.003 7.871 0.132 18224 10179 1 29 . 1 1 49 49 VAL N N 49 120.573 120.573 120.772 -0.199 18224 10180 1 29 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.958 -0.137 18224 10181 1 29 . 1 1 49 49 VAL C C 49 177.520 177.520 176.416 1.104 18224 10182 1 29 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.129 0.933 18224 10183 1 29 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.752 -0.263 18224 10184 1 29 . 1 1 49 49 VAL H H 49 7.910 7.910 8.070 -0.160 18224 10185 1 29 . 1 1 50 50 LEU N N 50 119.718 119.718 115.175 4.543 18224 10186 1 29 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.663 -0.636 18224 10187 1 29 . 1 1 50 50 LEU C C 50 178.169 178.169 177.503 0.666 18224 10188 1 29 . 1 1 50 50 LEU CA C 50 58.052 58.052 55.105 2.947 18224 10189 1 29 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.283 1.458 18224 10190 1 29 . 1 1 50 50 LEU H H 50 7.860 7.860 7.811 0.049 18224 10191 1 29 . 1 1 51 51 TRP N N 51 118.071 118.071 122.574 -4.503 18224 10192 1 29 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.801 -0.259 18224 10193 1 29 . 1 1 51 51 TRP C C 51 177.296 177.296 177.085 0.211 18224 10194 1 29 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.529 0.389 18224 10195 1 29 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.562 0.413 18224 10196 1 29 . 1 1 51 51 TRP H H 51 8.109 8.109 7.885 0.224 18224 10197 1 29 . 1 1 52 52 THR N N 52 113.243 113.243 115.870 -2.627 18224 10198 1 29 . 1 1 52 52 THR HA H 52 3.773 3.773 3.714 0.059 18224 10199 1 29 . 1 1 52 52 THR C C 52 176.402 176.402 176.081 0.321 18224 10200 1 29 . 1 1 52 52 THR CA C 52 66.690 66.690 65.130 1.560 18224 10201 1 29 . 1 1 52 52 THR CB C 52 68.921 68.921 68.314 0.606 18224 10202 1 29 . 1 1 52 52 THR H H 52 8.072 8.072 7.813 0.259 18224 10203 1 29 . 1 1 53 53 VAL N N 53 120.307 120.307 120.932 -0.625 18224 10204 1 29 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.775 -0.112 18224 10205 1 29 . 1 1 53 53 VAL C C 53 177.362 177.362 177.149 0.213 18224 10206 1 29 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.087 1.205 18224 10207 1 29 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.532 0.185 18224 10208 1 29 . 1 1 53 53 VAL H H 53 8.006 8.006 7.549 0.457 18224 10209 1 29 . 1 1 54 54 PHE N N 54 119.041 119.041 120.297 -1.256 18224 10210 1 29 . 1 1 54 54 PHE HA H 54 4.228 4.228 3.976 0.252 18224 10211 1 29 . 1 1 54 54 PHE C C 54 177.476 177.476 176.298 1.178 18224 10212 1 29 . 1 1 54 54 PHE CA C 54 60.892 60.892 61.180 -0.288 18224 10213 1 29 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.671 -0.075 18224 10214 1 29 . 1 1 54 54 PHE H H 54 8.143 8.143 7.379 0.764 18224 10215 1 29 . 1 1 55 55 ARG N N 55 117.543 117.543 118.567 -1.024 18224 10216 1 29 . 1 1 55 55 ARG HA H 55 3.863 3.863 2.705 1.158 18224 10217 1 29 . 1 1 55 55 ARG C C 55 177.832 177.832 178.227 -0.395 18224 10218 1 29 . 1 1 55 55 ARG CA C 55 57.706 57.706 58.360 -0.654 18224 10219 1 29 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.482 -0.006 18224 10220 1 29 . 1 1 55 55 ARG H H 55 8.112 8.112 6.925 1.187 18224 10221 1 29 . 1 1 56 56 LYS N N 56 118.390 118.390 118.751 -0.361 18224 10222 1 29 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.907 0.256 18224 10223 1 29 . 1 1 56 56 LYS C C 56 177.400 177.400 179.073 -1.673 18224 10224 1 29 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.813 -1.103 18224 10225 1 29 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.844 0.935 18224 10226 1 29 . 1 1 56 56 LYS H H 56 7.789 7.789 7.364 0.425 18224 10227 1 29 . 1 1 57 57 LYS N N 57 118.190 118.190 117.467 0.723 18224 10228 1 29 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.375 -0.116 18224 10229 1 29 . 1 1 57 57 LYS C C 57 176.791 176.791 177.375 -0.584 18224 10230 1 29 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.097 0.328 18224 10231 1 29 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.988 1.835 18224 10232 1 29 . 1 1 57 57 LYS H H 57 7.821 7.821 7.635 0.186 18224 10233 1 29 . 1 1 58 58 GLY N N 58 107.289 107.289 107.558 -0.269 18224 10234 1 29 . 1 1 58 58 GLY C C 58 173.607 173.607 175.348 -1.741 18224 10235 1 29 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.267 -0.793 18224 10236 1 29 . 1 1 58 58 GLY H H 58 7.927 7.927 8.004 -0.077 18224 10237 1 29 . 1 1 59 59 HIS N N 59 116.847 116.847 118.950 -2.103 18224 10238 1 29 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.363 0.330 18224 10239 1 29 . 1 1 59 59 HIS C C 59 174.153 174.153 175.798 -1.645 18224 10240 1 29 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.145 -1.987 18224 10241 1 29 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.347 -1.432 18224 10242 1 29 . 1 1 59 59 HIS H H 59 8.120 8.120 8.139 -0.019 18224 10243 1 29 . 1 1 60 60 HIS N N 60 118.028 118.028 116.449 1.579 18224 10244 1 29 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.119 0.573 18224 10245 1 29 . 1 1 60 60 HIS C C 60 173.987 173.987 175.103 -1.116 18224 10246 1 29 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.845 -2.337 18224 10247 1 29 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.434 -0.609 18224 10248 1 29 . 1 1 60 60 HIS H H 60 8.328 8.328 8.496 -0.168 18224 10249 1 29 . 1 1 61 61 HIS N N 61 118.101 118.101 116.371 1.730 18224 10250 1 29 . 1 1 61 61 HIS HA H 61 4.690 4.690 3.996 0.694 18224 10251 1 29 . 1 1 61 61 HIS C C 61 174.032 174.032 173.921 0.111 18224 10252 1 29 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.511 -0.793 18224 10253 1 29 . 1 1 61 61 HIS CB C 61 28.895 28.895 28.884 0.011 18224 10254 1 29 . 1 1 61 61 HIS H H 61 8.351 8.351 8.143 0.208 18224 10255 1 29 . 1 1 62 62 HIS N N 62 118.704 118.704 116.080 2.624 18224 10256 1 29 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.390 0.311 18224 10257 1 29 . 1 1 62 62 HIS C C 62 173.803 173.803 175.373 -1.570 18224 10258 1 29 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.341 -0.737 18224 10259 1 29 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.129 -0.966 18224 10260 1 29 . 1 1 62 62 HIS H H 62 8.381 8.381 7.267 1.114 18224 10261 1 29 . 1 1 63 63 HIS N N 63 118.853 118.853 120.613 -1.760 18224 10262 1 29 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.278 0.403 18224 10263 1 29 . 1 1 63 63 HIS C C 63 173.576 173.576 174.921 -1.345 18224 10264 1 29 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.791 -2.093 18224 10265 1 29 . 1 1 63 63 HIS CB C 63 29.133 29.133 28.129 1.004 18224 10266 1 29 . 1 1 63 63 HIS H H 63 8.299 8.299 9.044 -0.745 18224 10267 1 30 . 1 1 2 2 GLU N N 2 122.762 122.762 121.196 1.566 18224 10268 1 30 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.450 -0.012 18224 10269 1 30 . 1 1 2 2 GLU C C 2 175.581 175.581 174.984 0.597 18224 10270 1 30 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.251 0.109 18224 10271 1 30 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.275 -0.693 18224 10272 1 30 . 1 1 2 2 GLU H H 2 8.628 8.628 8.208 0.420 18224 10273 1 30 . 1 1 3 3 GLU N N 3 121.071 121.071 121.120 -0.049 18224 10274 1 30 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.081 0.300 18224 10275 1 30 . 1 1 3 3 GLU C C 3 176.457 176.457 176.157 0.300 18224 10276 1 30 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.548 -0.200 18224 10277 1 30 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.182 0.017 18224 10278 1 30 . 1 1 3 3 GLU H H 3 8.393 8.393 8.964 -0.571 18224 10279 1 30 . 1 1 4 4 GLY N N 4 109.717 109.717 109.131 0.586 18224 10280 1 30 . 1 1 4 4 GLY C C 4 174.677 174.677 175.302 -0.625 18224 10281 1 30 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.887 0.754 18224 10282 1 30 . 1 1 4 4 GLY H H 4 8.377 8.377 8.880 -0.503 18224 10283 1 30 . 1 1 5 5 GLY N N 5 108.373 108.373 110.373 -2.000 18224 10284 1 30 . 1 1 5 5 GLY C C 5 174.047 174.047 174.006 0.041 18224 10285 1 30 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.264 0.307 18224 10286 1 30 . 1 1 5 5 GLY H H 5 8.115 8.115 8.064 0.051 18224 10287 1 30 . 1 1 6 6 ASP N N 6 118.996 118.996 121.172 -2.176 18224 10288 1 30 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.619 0.030 18224 10289 1 30 . 1 1 6 6 ASP C C 6 175.903 175.903 175.440 0.463 18224 10290 1 30 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.176 0.869 18224 10291 1 30 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.608 -3.264 18224 10292 1 30 . 1 1 6 6 ASP H H 6 8.166 8.166 8.295 -0.129 18224 10293 1 30 . 1 1 7 7 PHE N N 7 119.750 119.750 119.432 0.318 18224 10294 1 30 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.360 0.190 18224 10295 1 30 . 1 1 7 7 PHE C C 7 175.919 175.919 174.072 1.847 18224 10296 1 30 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.475 0.457 18224 10297 1 30 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.121 0.059 18224 10298 1 30 . 1 1 7 7 PHE H H 7 8.151 8.151 8.234 -0.083 18224 10299 1 30 . 1 1 8 8 ASP N N 8 118.526 118.526 124.228 -5.702 18224 10300 1 30 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.613 -0.115 18224 10301 1 30 . 1 1 8 8 ASP C C 8 175.787 175.787 175.132 0.655 18224 10302 1 30 . 1 1 8 8 ASP CA C 8 54.635 54.635 53.661 0.974 18224 10303 1 30 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.067 -1.864 18224 10304 1 30 . 1 1 8 8 ASP H H 8 8.161 8.161 8.148 0.013 18224 10305 1 30 . 1 1 9 9 ASN N N 9 117.291 117.291 116.630 0.661 18224 10306 1 30 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.220 0.351 18224 10307 1 30 . 1 1 9 9 ASN C C 9 175.142 175.142 174.621 0.521 18224 10308 1 30 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.392 0.542 18224 10309 1 30 . 1 1 9 9 ASN CB C 9 38.792 38.792 37.965 0.827 18224 10310 1 30 . 1 1 9 9 ASN H H 9 8.013 8.013 7.846 0.167 18224 10311 1 30 . 1 1 10 10 TYR N N 10 119.112 119.112 115.221 3.891 18224 10312 1 30 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.164 0.282 18224 10313 1 30 . 1 1 10 10 TYR C C 10 175.513 175.513 175.622 -0.109 18224 10314 1 30 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.856 0.118 18224 10315 1 30 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.872 1.011 18224 10316 1 30 . 1 1 10 10 TYR H H 10 7.848 7.848 8.008 -0.160 18224 10317 1 30 . 1 1 11 11 TYR N N 11 119.438 119.438 118.546 0.892 18224 10318 1 30 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.446 0.061 18224 10319 1 30 . 1 1 11 11 TYR C C 11 175.939 175.939 175.445 0.494 18224 10320 1 30 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.083 0.214 18224 10321 1 30 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.912 0.055 18224 10322 1 30 . 1 1 11 11 TYR H H 11 7.849 7.849 7.541 0.308 18224 10323 1 30 . 1 1 12 12 GLY N N 12 109.685 109.685 108.237 1.448 18224 10324 1 30 . 1 1 12 12 GLY C C 12 174.099 174.099 172.425 1.674 18224 10325 1 30 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.235 1.310 18224 10326 1 30 . 1 1 12 12 GLY H H 12 7.792 7.792 7.930 -0.138 18224 10327 1 30 . 1 1 13 13 ALA N N 13 123.072 123.072 122.604 0.468 18224 10328 1 30 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.131 0.144 18224 10329 1 30 . 1 1 13 13 ALA C C 13 177.669 177.669 176.635 1.034 18224 10330 1 30 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.313 0.657 18224 10331 1 30 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.948 1.342 18224 10332 1 30 . 1 1 13 13 ALA H H 13 7.880 7.880 8.007 -0.127 18224 10333 1 30 . 1 1 14 14 ASP N N 14 117.540 117.540 121.463 -3.923 18224 10334 1 30 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.597 0.052 18224 10335 1 30 . 1 1 14 14 ASP C C 14 175.649 175.649 175.817 -0.168 18224 10336 1 30 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.619 -0.655 18224 10337 1 30 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.482 0.201 18224 10338 1 30 . 1 1 14 14 ASP H H 14 8.281 8.281 8.664 -0.383 18224 10339 1 30 . 1 1 15 15 ASN N N 15 118.400 118.400 118.199 0.201 18224 10340 1 30 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.889 -0.203 18224 10341 1 30 . 1 1 15 15 ASN C C 15 175.351 175.351 175.029 0.322 18224 10342 1 30 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.403 0.205 18224 10343 1 30 . 1 1 15 15 ASN CB C 15 38.942 38.942 40.232 -1.290 18224 10344 1 30 . 1 1 15 15 ASN H H 15 8.137 8.137 8.244 -0.107 18224 10345 1 30 . 1 1 16 16 GLN N N 16 120.072 120.072 119.307 0.765 18224 10346 1 30 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.501 -0.141 18224 10347 1 30 . 1 1 16 16 GLN C C 16 176.206 176.206 174.954 1.252 18224 10348 1 30 . 1 1 16 16 GLN CA C 16 56.402 56.402 54.851 1.551 18224 10349 1 30 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.317 2.852 18224 10350 1 30 . 1 1 16 16 GLN H H 16 8.284 8.284 8.328 -0.044 18224 10351 1 30 . 1 1 17 17 SER N N 17 116.112 116.112 117.685 -1.573 18224 10352 1 30 . 1 1 17 17 SER HA H 17 4.440 4.440 4.434 0.006 18224 10353 1 30 . 1 1 17 17 SER C C 17 174.568 174.568 173.807 0.761 18224 10354 1 30 . 1 1 17 17 SER CA C 17 58.911 58.911 59.873 -0.962 18224 10355 1 30 . 1 1 17 17 SER CB C 17 63.897 63.897 63.760 0.138 18224 10356 1 30 . 1 1 17 17 SER H H 17 8.211 8.211 7.976 0.235 18224 10357 1 30 . 1 1 18 18 GLU N N 18 121.378 121.378 125.492 -4.114 18224 10358 1 30 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.656 -0.277 18224 10359 1 30 . 1 1 18 18 GLU C C 18 175.934 175.934 176.376 -0.442 18224 10360 1 30 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.324 1.082 18224 10361 1 30 . 1 1 18 18 GLU CB C 18 29.133 29.133 31.245 -2.112 18224 10362 1 30 . 1 1 18 18 GLU H H 18 8.262 8.262 8.340 -0.078 18224 10363 1 30 . 1 1 19 19 CYS N N 19 119.418 119.418 118.812 0.606 18224 10364 1 30 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.259 0.185 18224 10365 1 30 . 1 1 19 19 CYS C C 19 174.568 174.568 175.644 -1.076 18224 10366 1 30 . 1 1 19 19 CYS CA C 19 58.839 58.839 60.074 -1.235 18224 10367 1 30 . 1 1 19 19 CYS CB C 19 27.973 27.973 27.374 0.599 18224 10368 1 30 . 1 1 19 19 CYS H H 19 8.182 8.182 8.470 -0.288 18224 10369 1 30 . 1 1 20 20 GLU N N 20 122.737 122.737 120.132 2.605 18224 10370 1 30 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.967 0.340 18224 10371 1 30 . 1 1 20 20 GLU C C 20 176.083 176.083 174.723 1.360 18224 10372 1 30 . 1 1 20 20 GLU CA C 20 56.540 56.540 55.500 1.040 18224 10373 1 30 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.869 -1.004 18224 10374 1 30 . 1 1 20 20 GLU H H 20 8.303 8.303 8.239 0.064 18224 10375 1 30 . 1 1 21 21 TYR N N 21 119.549 119.549 112.063 7.486 18224 10376 1 30 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.546 0.928 18224 10377 1 30 . 1 1 21 21 TYR C C 21 175.826 175.826 173.443 2.383 18224 10378 1 30 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.006 0.665 18224 10379 1 30 . 1 1 21 21 TYR CB C 21 38.589 38.589 34.672 3.917 18224 10380 1 30 . 1 1 21 21 TYR H H 21 7.888 7.888 8.217 -0.329 18224 10381 1 30 . 1 1 22 22 THR N N 22 112.218 112.218 110.947 1.271 18224 10382 1 30 . 1 1 22 22 THR HA H 22 4.163 4.163 3.729 0.434 18224 10383 1 30 . 1 1 22 22 THR C C 22 174.737 174.737 173.728 1.009 18224 10384 1 30 . 1 1 22 22 THR CA C 22 62.778 62.778 62.234 0.544 18224 10385 1 30 . 1 1 22 22 THR CB C 22 69.531 69.531 69.547 -0.016 18224 10386 1 30 . 1 1 22 22 THR H H 22 7.683 7.683 7.159 0.524 18224 10387 1 30 . 1 1 23 23 ASP N N 23 121.090 121.090 120.545 0.545 18224 10388 1 30 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.655 0.056 18224 10389 1 30 . 1 1 23 23 ASP C C 23 176.279 176.279 177.898 -1.619 18224 10390 1 30 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.659 1.451 18224 10391 1 30 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.726 -0.388 18224 10392 1 30 . 1 1 23 23 ASP H H 23 8.059 8.059 7.806 0.253 18224 10393 1 30 . 1 1 24 24 TRP N N 24 121.546 121.546 119.490 2.056 18224 10394 1 30 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.548 -0.062 18224 10395 1 30 . 1 1 24 24 TRP C C 24 177.051 177.051 176.063 0.988 18224 10396 1 30 . 1 1 24 24 TRP CA C 24 58.828 58.828 56.273 2.555 18224 10397 1 30 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.744 1.324 18224 10398 1 30 . 1 1 24 24 TRP H H 24 7.888 7.888 7.501 0.387 18224 10399 1 30 . 1 1 25 25 LYS N N 25 120.106 120.106 115.287 4.819 18224 10400 1 30 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.524 -0.534 18224 10401 1 30 . 1 1 25 25 LYS C C 25 176.764 176.764 174.912 1.852 18224 10402 1 30 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.277 1.445 18224 10403 1 30 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.581 0.720 18224 10404 1 30 . 1 1 25 25 LYS H H 25 7.620 7.620 7.605 0.015 18224 10405 1 30 . 1 1 26 26 SER N N 26 114.114 114.114 116.020 -1.906 18224 10406 1 30 . 1 1 26 26 SER HA H 26 4.471 4.471 4.592 -0.121 18224 10407 1 30 . 1 1 26 26 SER C C 26 175.124 175.124 174.088 1.036 18224 10408 1 30 . 1 1 26 26 SER CA C 26 58.757 58.757 58.689 0.068 18224 10409 1 30 . 1 1 26 26 SER CB C 26 63.812 63.812 64.071 -0.259 18224 10410 1 30 . 1 1 26 26 SER H H 26 7.796 7.796 7.913 -0.117 18224 10411 1 30 . 1 1 27 27 SER N N 27 116.655 116.655 117.661 -1.006 18224 10412 1 30 . 1 1 27 27 SER HA H 27 4.386 4.386 4.131 0.255 18224 10413 1 30 . 1 1 27 27 SER C C 27 175.505 175.505 174.467 1.038 18224 10414 1 30 . 1 1 27 27 SER CA C 27 59.611 59.611 59.251 0.360 18224 10415 1 30 . 1 1 27 27 SER CB C 27 64.117 64.117 62.010 2.107 18224 10416 1 30 . 1 1 27 27 SER H H 27 8.046 8.046 8.845 -0.799 18224 10417 1 30 . 1 1 28 28 GLY N N 28 111.049 111.049 106.520 4.529 18224 10418 1 30 . 1 1 28 28 GLY C C 28 174.495 174.495 174.129 0.366 18224 10419 1 30 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.519 0.602 18224 10420 1 30 . 1 1 28 28 GLY H H 28 8.304 8.304 8.032 0.272 18224 10421 1 30 . 1 1 29 29 ALA N N 29 121.693 121.693 119.883 1.810 18224 10422 1 30 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.023 0.326 18224 10423 1 30 . 1 1 29 29 ALA C C 29 177.695 177.695 176.805 0.890 18224 10424 1 30 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.280 -0.169 18224 10425 1 30 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.783 2.181 18224 10426 1 30 . 1 1 29 29 ALA H H 29 7.941 7.941 8.002 -0.061 18224 10427 1 30 . 1 1 30 30 LEU N N 30 117.996 117.996 117.987 0.009 18224 10428 1 30 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.332 -0.150 18224 10429 1 30 . 1 1 30 30 LEU C C 30 177.484 177.484 177.696 -0.212 18224 10430 1 30 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.794 2.176 18224 10431 1 30 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.427 -1.005 18224 10432 1 30 . 1 1 30 30 LEU H H 30 7.968 7.968 7.827 0.141 18224 10433 1 30 . 1 1 31 31 ILE N N 31 117.106 117.106 121.014 -3.908 18224 10434 1 30 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.294 -0.355 18224 10435 1 30 . 1 1 31 31 ILE C C 31 174.998 174.998 175.405 -0.407 18224 10436 1 30 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.433 2.489 18224 10437 1 30 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.806 -0.698 18224 10438 1 30 . 1 1 31 31 ILE H H 31 8.027 8.027 8.165 -0.138 18224 10439 1 30 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.365 -0.081 18224 10440 1 30 . 1 1 32 32 PRO C C 32 178.663 178.663 178.073 0.590 18224 10441 1 30 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.055 -0.062 18224 10442 1 30 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.865 0.191 18224 10443 1 30 . 1 1 33 33 ALA N N 33 119.031 119.031 117.613 1.418 18224 10444 1 30 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.146 0.020 18224 10445 1 30 . 1 1 33 33 ALA C C 33 178.942 178.942 178.400 0.542 18224 10446 1 30 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.305 1.235 18224 10447 1 30 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.074 0.411 18224 10448 1 30 . 1 1 33 33 ALA H H 33 7.580 7.580 8.450 -0.870 18224 10449 1 30 . 1 1 34 34 ILE N N 34 117.923 117.923 116.348 1.575 18224 10450 1 30 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.075 -0.376 18224 10451 1 30 . 1 1 34 34 ILE C C 34 177.833 177.833 176.372 1.461 18224 10452 1 30 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.630 2.482 18224 10453 1 30 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.962 -1.611 18224 10454 1 30 . 1 1 34 34 ILE H H 34 8.234 8.234 7.652 0.582 18224 10455 1 30 . 1 1 35 35 TYR N N 35 118.746 118.746 120.779 -2.033 18224 10456 1 30 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.356 -0.241 18224 10457 1 30 . 1 1 35 35 TYR C C 35 178.044 178.044 177.546 0.498 18224 10458 1 30 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.026 -0.268 18224 10459 1 30 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.361 -1.346 18224 10460 1 30 . 1 1 35 35 TYR H H 35 8.355 8.355 7.824 0.531 18224 10461 1 30 . 1 1 36 36 MET N N 36 117.813 117.813 118.116 -0.303 18224 10462 1 30 . 1 1 36 36 MET HA H 36 4.281 4.281 4.549 -0.268 18224 10463 1 30 . 1 1 36 36 MET C C 36 178.139 178.139 177.618 0.521 18224 10464 1 30 . 1 1 36 36 MET CA C 36 58.482 58.482 58.909 -0.427 18224 10465 1 30 . 1 1 36 36 MET CB C 36 31.716 31.716 32.853 -1.137 18224 10466 1 30 . 1 1 36 36 MET H H 36 8.107 8.107 8.599 -0.492 18224 10467 1 30 . 1 1 37 37 LEU N N 37 120.311 120.311 118.556 1.755 18224 10468 1 30 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.233 -0.158 18224 10469 1 30 . 1 1 37 37 LEU C C 37 178.399 178.399 177.177 1.222 18224 10470 1 30 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.742 1.728 18224 10471 1 30 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.231 1.722 18224 10472 1 30 . 1 1 37 37 LEU H H 37 8.229 8.229 8.300 -0.071 18224 10473 1 30 . 1 1 38 38 VAL N N 38 118.080 118.080 117.403 0.677 18224 10474 1 30 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.008 -0.483 18224 10475 1 30 . 1 1 38 38 VAL C C 38 178.139 178.139 177.016 1.123 18224 10476 1 30 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.909 3.243 18224 10477 1 30 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.078 -1.628 18224 10478 1 30 . 1 1 38 38 VAL H H 38 8.363 8.363 7.407 0.956 18224 10479 1 30 . 1 1 39 39 PHE N N 39 120.151 120.151 121.197 -1.046 18224 10480 1 30 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.406 -0.183 18224 10481 1 30 . 1 1 39 39 PHE C C 39 178.544 178.544 177.146 1.398 18224 10482 1 30 . 1 1 39 39 PHE CA C 39 61.326 61.326 62.537 -1.211 18224 10483 1 30 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.221 -0.305 18224 10484 1 30 . 1 1 39 39 PHE H H 39 8.306 8.306 7.417 0.889 18224 10485 1 30 . 1 1 40 40 LEU N N 40 121.004 121.004 116.785 4.219 18224 10486 1 30 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.315 -0.292 18224 10487 1 30 . 1 1 40 40 LEU C C 40 179.704 179.704 178.470 1.234 18224 10488 1 30 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.169 0.769 18224 10489 1 30 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.087 1.206 18224 10490 1 30 . 1 1 40 40 LEU H H 40 8.567 8.567 7.696 0.871 18224 10491 1 30 . 1 1 41 41 LEU N N 41 119.593 119.593 120.977 -1.384 18224 10492 1 30 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.228 -0.167 18224 10493 1 30 . 1 1 41 41 LEU C C 41 178.966 178.966 178.729 0.237 18224 10494 1 30 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.833 0.863 18224 10495 1 30 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.471 0.321 18224 10496 1 30 . 1 1 41 41 LEU H H 41 8.503 8.503 7.579 0.924 18224 10497 1 30 . 1 1 42 42 GLY N N 42 105.838 105.838 106.103 -0.265 18224 10498 1 30 . 1 1 42 42 GLY C C 42 175.587 175.587 175.350 0.237 18224 10499 1 30 . 1 1 42 42 GLY CA C 42 46.570 46.570 47.018 -0.448 18224 10500 1 30 . 1 1 42 42 GLY H H 42 8.355 8.355 7.856 0.499 18224 10501 1 30 . 1 1 43 43 THR N N 43 112.333 112.333 112.367 -0.034 18224 10502 1 30 . 1 1 43 43 THR HA H 43 4.290 4.290 4.572 -0.282 18224 10503 1 30 . 1 1 43 43 THR C C 43 175.765 175.765 173.803 1.962 18224 10504 1 30 . 1 1 43 43 THR CA C 43 63.680 63.680 61.619 2.061 18224 10505 1 30 . 1 1 43 43 THR CB C 43 69.626 69.626 69.614 0.012 18224 10506 1 30 . 1 1 43 43 THR H H 43 7.895 7.895 7.510 0.385 18224 10507 1 30 . 1 1 44 44 THR N N 44 112.041 112.041 117.143 -5.102 18224 10508 1 30 . 1 1 44 44 THR HA H 44 4.388 4.388 3.916 0.472 18224 10509 1 30 . 1 1 44 44 THR C C 44 175.555 175.555 174.850 0.705 18224 10510 1 30 . 1 1 44 44 THR CA C 44 62.732 62.732 65.600 -2.868 18224 10511 1 30 . 1 1 44 44 THR CB C 44 70.240 70.240 67.727 2.513 18224 10512 1 30 . 1 1 44 44 THR H H 44 7.684 7.684 8.472 -0.788 18224 10513 1 30 . 1 1 45 45 GLY N N 45 109.756 109.756 110.299 -0.543 18224 10514 1 30 . 1 1 45 45 GLY C C 45 174.948 174.948 173.261 1.687 18224 10515 1 30 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.577 1.775 18224 10516 1 30 . 1 1 45 45 GLY H H 45 8.058 8.058 8.447 -0.389 18224 10517 1 30 . 1 1 46 46 ASN N N 46 117.561 117.561 118.612 -1.051 18224 10518 1 30 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.829 0.016 18224 10519 1 30 . 1 1 46 46 ASN C C 46 175.853 175.853 175.366 0.487 18224 10520 1 30 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.369 0.723 18224 10521 1 30 . 1 1 46 46 ASN CB C 46 39.513 39.513 40.629 -1.116 18224 10522 1 30 . 1 1 46 46 ASN H H 46 8.202 8.202 7.639 0.563 18224 10523 1 30 . 1 1 47 47 GLY N N 47 108.715 108.715 110.994 -2.279 18224 10524 1 30 . 1 1 47 47 GLY C C 47 174.431 174.431 174.694 -0.263 18224 10525 1 30 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.516 0.645 18224 10526 1 30 . 1 1 47 47 GLY H H 47 8.600 8.600 8.845 -0.245 18224 10527 1 30 . 1 1 48 48 LEU N N 48 120.089 120.089 120.506 -0.417 18224 10528 1 30 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.736 -0.417 18224 10529 1 30 . 1 1 48 48 LEU C C 48 179.243 179.243 178.388 0.855 18224 10530 1 30 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.739 1.577 18224 10531 1 30 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.275 -0.437 18224 10532 1 30 . 1 1 48 48 LEU H H 48 8.003 8.003 7.893 0.110 18224 10533 1 30 . 1 1 49 49 VAL N N 49 120.573 120.573 119.674 0.899 18224 10534 1 30 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.973 -0.152 18224 10535 1 30 . 1 1 49 49 VAL C C 49 177.520 177.520 177.508 0.012 18224 10536 1 30 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.836 0.226 18224 10537 1 30 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.480 0.008 18224 10538 1 30 . 1 1 49 49 VAL H H 49 7.910 7.910 8.121 -0.211 18224 10539 1 30 . 1 1 50 50 LEU N N 50 119.718 119.718 116.376 3.342 18224 10540 1 30 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.526 -0.499 18224 10541 1 30 . 1 1 50 50 LEU C C 50 178.169 178.169 177.919 0.250 18224 10542 1 30 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.060 0.992 18224 10543 1 30 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.953 0.789 18224 10544 1 30 . 1 1 50 50 LEU H H 50 7.860 7.860 7.887 -0.027 18224 10545 1 30 . 1 1 51 51 TRP N N 51 118.071 118.071 121.910 -3.839 18224 10546 1 30 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.640 -0.098 18224 10547 1 30 . 1 1 51 51 TRP C C 51 177.296 177.296 177.594 -0.298 18224 10548 1 30 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.844 0.074 18224 10549 1 30 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.511 0.464 18224 10550 1 30 . 1 1 51 51 TRP H H 51 8.109 8.109 7.930 0.179 18224 10551 1 30 . 1 1 52 52 THR N N 52 113.243 113.243 115.947 -2.704 18224 10552 1 30 . 1 1 52 52 THR HA H 52 3.773 3.773 3.783 -0.010 18224 10553 1 30 . 1 1 52 52 THR C C 52 176.402 176.402 176.596 -0.194 18224 10554 1 30 . 1 1 52 52 THR CA C 52 66.690 66.690 66.100 0.591 18224 10555 1 30 . 1 1 52 52 THR CB C 52 68.921 68.921 68.321 0.600 18224 10556 1 30 . 1 1 52 52 THR H H 52 8.072 8.072 7.768 0.304 18224 10557 1 30 . 1 1 53 53 VAL N N 53 120.307 120.307 120.525 -0.218 18224 10558 1 30 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.666 -0.003 18224 10559 1 30 . 1 1 53 53 VAL C C 53 177.362 177.362 177.108 0.254 18224 10560 1 30 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.449 -0.157 18224 10561 1 30 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.149 0.568 18224 10562 1 30 . 1 1 53 53 VAL H H 53 8.006 8.006 7.379 0.627 18224 10563 1 30 . 1 1 54 54 PHE N N 54 119.041 119.041 119.250 -0.209 18224 10564 1 30 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.023 0.205 18224 10565 1 30 . 1 1 54 54 PHE C C 54 177.476 177.476 175.932 1.544 18224 10566 1 30 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.435 0.457 18224 10567 1 30 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.771 -0.175 18224 10568 1 30 . 1 1 54 54 PHE H H 54 8.143 8.143 7.872 0.271 18224 10569 1 30 . 1 1 55 55 ARG N N 55 117.543 117.543 118.535 -0.992 18224 10570 1 30 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.010 0.853 18224 10571 1 30 . 1 1 55 55 ARG C C 55 177.832 177.832 177.281 0.551 18224 10572 1 30 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.866 0.840 18224 10573 1 30 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.589 -0.113 18224 10574 1 30 . 1 1 55 55 ARG H H 55 8.112 8.112 7.291 0.821 18224 10575 1 30 . 1 1 56 56 LYS N N 56 118.390 118.390 117.662 0.728 18224 10576 1 30 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.049 0.114 18224 10577 1 30 . 1 1 56 56 LYS C C 56 177.400 177.400 179.207 -1.807 18224 10578 1 30 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.417 -0.707 18224 10579 1 30 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.595 1.184 18224 10580 1 30 . 1 1 56 56 LYS H H 56 7.789 7.789 7.809 -0.020 18224 10581 1 30 . 1 1 57 57 LYS N N 57 118.190 118.190 120.267 -2.077 18224 10582 1 30 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.124 0.135 18224 10583 1 30 . 1 1 57 57 LYS C C 57 176.791 176.791 176.238 0.553 18224 10584 1 30 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.311 0.114 18224 10585 1 30 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.283 2.540 18224 10586 1 30 . 1 1 57 57 LYS H H 57 7.821 7.821 8.180 -0.359 18224 10587 1 30 . 1 1 58 58 GLY N N 58 107.289 107.289 107.338 -0.049 18224 10588 1 30 . 1 1 58 58 GLY C C 58 173.607 173.607 174.166 -0.559 18224 10589 1 30 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.214 0.260 18224 10590 1 30 . 1 1 58 58 GLY H H 58 7.927 7.927 8.190 -0.263 18224 10591 1 30 . 1 1 59 59 HIS N N 59 116.847 116.847 119.672 -2.825 18224 10592 1 30 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.598 0.095 18224 10593 1 30 . 1 1 59 59 HIS C C 59 174.153 174.153 175.692 -1.539 18224 10594 1 30 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.296 -1.138 18224 10595 1 30 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.559 -1.644 18224 10596 1 30 . 1 1 59 59 HIS H H 59 8.120 8.120 8.288 -0.168 18224 10597 1 30 . 1 1 60 60 HIS N N 60 118.028 118.028 116.882 1.146 18224 10598 1 30 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.386 0.306 18224 10599 1 30 . 1 1 60 60 HIS C C 60 173.987 173.987 173.919 0.068 18224 10600 1 30 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.005 -1.497 18224 10601 1 30 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.032 -1.207 18224 10602 1 30 . 1 1 60 60 HIS H H 60 8.328 8.328 8.281 0.047 18224 10603 1 30 . 1 1 61 61 HIS N N 61 118.101 118.101 116.630 1.471 18224 10604 1 30 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.578 0.112 18224 10605 1 30 . 1 1 61 61 HIS C C 61 174.032 174.032 174.488 -0.456 18224 10606 1 30 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.119 0.599 18224 10607 1 30 . 1 1 61 61 HIS CB C 61 28.895 28.895 31.619 -2.724 18224 10608 1 30 . 1 1 61 61 HIS H H 61 8.351 8.351 7.344 1.007 18224 10609 1 30 . 1 1 62 62 HIS N N 62 118.704 118.704 119.102 -0.398 18224 10610 1 30 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.510 0.191 18224 10611 1 30 . 1 1 62 62 HIS C C 62 173.803 173.803 176.004 -2.201 18224 10612 1 30 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.115 -1.511 18224 10613 1 30 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.780 -1.617 18224 10614 1 30 . 1 1 62 62 HIS H H 62 8.381 8.381 8.609 -0.228 18224 10615 1 30 . 1 1 63 63 HIS N N 63 118.853 118.853 117.767 1.086 18224 10616 1 30 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.483 0.198 18224 10617 1 30 . 1 1 63 63 HIS C C 63 173.576 173.576 175.647 -2.071 18224 10618 1 30 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.330 -0.632 18224 10619 1 30 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.428 -1.295 18224 10620 1 30 . 1 1 63 63 HIS H H 63 8.299 8.299 8.765 -0.466 18224 10621 1 31 . 1 1 2 2 GLU N N 2 122.762 122.762 119.389 3.373 18224 10622 1 31 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.485 -0.047 18224 10623 1 31 . 1 1 2 2 GLU C C 2 175.581 175.581 175.121 0.460 18224 10624 1 31 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.024 0.336 18224 10625 1 31 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.965 -0.383 18224 10626 1 31 . 1 1 2 2 GLU H H 2 8.628 8.628 8.290 0.338 18224 10627 1 31 . 1 1 3 3 GLU N N 3 121.071 121.071 123.744 -2.673 18224 10628 1 31 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.515 -0.134 18224 10629 1 31 . 1 1 3 3 GLU C C 3 176.457 176.457 176.327 0.130 18224 10630 1 31 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.316 0.032 18224 10631 1 31 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.476 0.723 18224 10632 1 31 . 1 1 3 3 GLU H H 3 8.393 8.393 8.946 -0.553 18224 10633 1 31 . 1 1 4 4 GLY N N 4 109.717 109.717 107.010 2.707 18224 10634 1 31 . 1 1 4 4 GLY C C 4 174.677 174.677 174.467 0.210 18224 10635 1 31 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.360 1.281 18224 10636 1 31 . 1 1 4 4 GLY H H 4 8.377 8.377 7.617 0.760 18224 10637 1 31 . 1 1 5 5 GLY N N 5 108.373 108.373 111.215 -2.842 18224 10638 1 31 . 1 1 5 5 GLY C C 5 174.047 174.047 173.905 0.142 18224 10639 1 31 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.584 0.987 18224 10640 1 31 . 1 1 5 5 GLY H H 5 8.115 8.115 8.253 -0.138 18224 10641 1 31 . 1 1 6 6 ASP N N 6 118.996 118.996 118.907 0.089 18224 10642 1 31 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.000 0.649 18224 10643 1 31 . 1 1 6 6 ASP C C 6 175.903 175.903 175.433 0.470 18224 10644 1 31 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.993 -0.948 18224 10645 1 31 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.479 -1.135 18224 10646 1 31 . 1 1 6 6 ASP H H 6 8.166 8.166 8.149 0.017 18224 10647 1 31 . 1 1 7 7 PHE N N 7 119.750 119.750 118.008 1.742 18224 10648 1 31 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.505 0.045 18224 10649 1 31 . 1 1 7 7 PHE C C 7 175.919 175.919 176.103 -0.184 18224 10650 1 31 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.941 0.991 18224 10651 1 31 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.212 -0.032 18224 10652 1 31 . 1 1 7 7 PHE H H 7 8.151 8.151 6.927 1.224 18224 10653 1 31 . 1 1 8 8 ASP N N 8 118.526 118.526 119.555 -1.029 18224 10654 1 31 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.754 -0.256 18224 10655 1 31 . 1 1 8 8 ASP C C 8 175.787 175.787 175.254 0.533 18224 10656 1 31 . 1 1 8 8 ASP CA C 8 54.635 54.635 53.975 0.660 18224 10657 1 31 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.718 -1.516 18224 10658 1 31 . 1 1 8 8 ASP H H 8 8.161 8.161 8.658 -0.497 18224 10659 1 31 . 1 1 9 9 ASN N N 9 117.291 117.291 118.061 -0.770 18224 10660 1 31 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.443 0.128 18224 10661 1 31 . 1 1 9 9 ASN C C 9 175.142 175.142 175.181 -0.039 18224 10662 1 31 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.802 0.132 18224 10663 1 31 . 1 1 9 9 ASN CB C 9 38.792 38.792 37.734 1.058 18224 10664 1 31 . 1 1 9 9 ASN H H 9 8.013 8.013 8.606 -0.593 18224 10665 1 31 . 1 1 10 10 TYR N N 10 119.112 119.112 118.184 0.928 18224 10666 1 31 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.051 0.395 18224 10667 1 31 . 1 1 10 10 TYR C C 10 175.513 175.513 176.930 -1.417 18224 10668 1 31 . 1 1 10 10 TYR CA C 10 58.974 58.974 60.675 -1.701 18224 10669 1 31 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.614 1.269 18224 10670 1 31 . 1 1 10 10 TYR H H 10 7.848 7.848 8.227 -0.379 18224 10671 1 31 . 1 1 11 11 TYR N N 11 119.438 119.438 118.975 0.463 18224 10672 1 31 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.634 -0.127 18224 10673 1 31 . 1 1 11 11 TYR C C 11 175.939 175.939 176.051 -0.112 18224 10674 1 31 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.673 -1.376 18224 10675 1 31 . 1 1 11 11 TYR CB C 11 38.967 38.967 37.950 1.017 18224 10676 1 31 . 1 1 11 11 TYR H H 11 7.849 7.849 7.800 0.049 18224 10677 1 31 . 1 1 12 12 GLY N N 12 109.685 109.685 106.586 3.099 18224 10678 1 31 . 1 1 12 12 GLY C C 12 174.099 174.099 173.464 0.635 18224 10679 1 31 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.203 0.342 18224 10680 1 31 . 1 1 12 12 GLY H H 12 7.792 7.792 9.049 -1.257 18224 10681 1 31 . 1 1 13 13 ALA N N 13 123.072 123.072 125.844 -2.772 18224 10682 1 31 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.397 -0.122 18224 10683 1 31 . 1 1 13 13 ALA C C 13 177.669 177.669 177.048 0.621 18224 10684 1 31 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.845 1.125 18224 10685 1 31 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.798 -0.508 18224 10686 1 31 . 1 1 13 13 ALA H H 13 7.880 7.880 8.157 -0.277 18224 10687 1 31 . 1 1 14 14 ASP N N 14 117.540 117.540 119.210 -1.670 18224 10688 1 31 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.655 -0.006 18224 10689 1 31 . 1 1 14 14 ASP C C 14 175.649 175.649 174.906 0.743 18224 10690 1 31 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.397 0.567 18224 10691 1 31 . 1 1 14 14 ASP CB C 14 39.683 39.683 38.887 0.796 18224 10692 1 31 . 1 1 14 14 ASP H H 14 8.281 8.281 8.525 -0.244 18224 10693 1 31 . 1 1 15 15 ASN N N 15 118.400 118.400 118.577 -0.177 18224 10694 1 31 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.798 -0.112 18224 10695 1 31 . 1 1 15 15 ASN C C 15 175.351 175.351 175.064 0.287 18224 10696 1 31 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.511 0.097 18224 10697 1 31 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.758 -0.815 18224 10698 1 31 . 1 1 15 15 ASN H H 15 8.137 8.137 7.808 0.329 18224 10699 1 31 . 1 1 16 16 GLN N N 16 120.072 120.072 119.447 0.625 18224 10700 1 31 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.330 0.030 18224 10701 1 31 . 1 1 16 16 GLN C C 16 176.206 176.206 174.605 1.601 18224 10702 1 31 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.356 1.046 18224 10703 1 31 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.518 2.651 18224 10704 1 31 . 1 1 16 16 GLN H H 16 8.284 8.284 8.583 -0.299 18224 10705 1 31 . 1 1 17 17 SER N N 17 116.112 116.112 117.637 -1.525 18224 10706 1 31 . 1 1 17 17 SER HA H 17 4.440 4.440 4.377 0.063 18224 10707 1 31 . 1 1 17 17 SER C C 17 174.568 174.568 174.657 -0.089 18224 10708 1 31 . 1 1 17 17 SER CA C 17 58.911 58.911 57.744 1.167 18224 10709 1 31 . 1 1 17 17 SER CB C 17 63.897 63.897 64.448 -0.551 18224 10710 1 31 . 1 1 17 17 SER H H 17 8.211 8.211 8.458 -0.247 18224 10711 1 31 . 1 1 18 18 GLU N N 18 121.378 121.378 121.010 0.368 18224 10712 1 31 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.202 0.177 18224 10713 1 31 . 1 1 18 18 GLU C C 18 175.934 175.934 175.241 0.693 18224 10714 1 31 . 1 1 18 18 GLU CA C 18 56.406 56.406 57.609 -1.203 18224 10715 1 31 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.631 0.502 18224 10716 1 31 . 1 1 18 18 GLU H H 18 8.262 8.262 8.702 -0.440 18224 10717 1 31 . 1 1 19 19 CYS N N 19 119.418 119.418 116.911 2.507 18224 10718 1 31 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.826 -0.382 18224 10719 1 31 . 1 1 19 19 CYS C C 19 174.568 174.568 173.870 0.698 18224 10720 1 31 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.004 0.835 18224 10721 1 31 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.200 -0.227 18224 10722 1 31 . 1 1 19 19 CYS H H 19 8.182 8.182 8.632 -0.450 18224 10723 1 31 . 1 1 20 20 GLU N N 20 122.737 122.737 120.842 1.895 18224 10724 1 31 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.009 0.298 18224 10725 1 31 . 1 1 20 20 GLU C C 20 176.083 176.083 174.687 1.396 18224 10726 1 31 . 1 1 20 20 GLU CA C 20 56.540 56.540 55.991 0.549 18224 10727 1 31 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.879 -1.013 18224 10728 1 31 . 1 1 20 20 GLU H H 20 8.303 8.303 7.993 0.310 18224 10729 1 31 . 1 1 21 21 TYR N N 21 119.549 119.549 116.186 3.363 18224 10730 1 31 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.896 0.578 18224 10731 1 31 . 1 1 21 21 TYR C C 21 175.826 175.826 173.725 2.101 18224 10732 1 31 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.050 -0.379 18224 10733 1 31 . 1 1 21 21 TYR CB C 21 38.589 38.589 36.328 2.261 18224 10734 1 31 . 1 1 21 21 TYR H H 21 7.888 7.888 8.150 -0.262 18224 10735 1 31 . 1 1 22 22 THR N N 22 112.218 112.218 110.325 1.893 18224 10736 1 31 . 1 1 22 22 THR HA H 22 4.163 4.163 3.544 0.619 18224 10737 1 31 . 1 1 22 22 THR C C 22 174.737 174.737 173.927 0.810 18224 10738 1 31 . 1 1 22 22 THR CA C 22 62.778 62.778 62.094 0.684 18224 10739 1 31 . 1 1 22 22 THR CB C 22 69.531 69.531 69.369 0.162 18224 10740 1 31 . 1 1 22 22 THR H H 22 7.683 7.683 7.169 0.514 18224 10741 1 31 . 1 1 23 23 ASP N N 23 121.090 121.090 120.307 0.783 18224 10742 1 31 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.744 -0.033 18224 10743 1 31 . 1 1 23 23 ASP C C 23 176.279 176.279 177.697 -1.418 18224 10744 1 31 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.053 1.056 18224 10745 1 31 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.230 -0.892 18224 10746 1 31 . 1 1 23 23 ASP H H 23 8.059 8.059 7.822 0.237 18224 10747 1 31 . 1 1 24 24 TRP N N 24 121.546 121.546 121.398 0.148 18224 10748 1 31 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.332 0.154 18224 10749 1 31 . 1 1 24 24 TRP C C 24 177.051 177.051 176.871 0.180 18224 10750 1 31 . 1 1 24 24 TRP CA C 24 58.828 58.828 59.084 -0.257 18224 10751 1 31 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.802 1.266 18224 10752 1 31 . 1 1 24 24 TRP H H 24 7.888 7.888 7.131 0.757 18224 10753 1 31 . 1 1 25 25 LYS N N 25 120.106 120.106 119.401 0.705 18224 10754 1 31 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.423 -0.433 18224 10755 1 31 . 1 1 25 25 LYS C C 25 176.764 176.764 176.751 0.013 18224 10756 1 31 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.490 1.232 18224 10757 1 31 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.562 0.739 18224 10758 1 31 . 1 1 25 25 LYS H H 25 7.620 7.620 8.243 -0.623 18224 10759 1 31 . 1 1 26 26 SER N N 26 114.114 114.114 115.170 -1.056 18224 10760 1 31 . 1 1 26 26 SER HA H 26 4.471 4.471 4.489 -0.018 18224 10761 1 31 . 1 1 26 26 SER C C 26 175.124 175.124 175.218 -0.094 18224 10762 1 31 . 1 1 26 26 SER CA C 26 58.757 58.757 59.555 -0.798 18224 10763 1 31 . 1 1 26 26 SER CB C 26 63.812 63.812 63.528 0.284 18224 10764 1 31 . 1 1 26 26 SER H H 26 7.796 7.796 8.310 -0.514 18224 10765 1 31 . 1 1 27 27 SER N N 27 116.655 116.655 117.197 -0.542 18224 10766 1 31 . 1 1 27 27 SER HA H 27 4.386 4.386 4.144 0.242 18224 10767 1 31 . 1 1 27 27 SER C C 27 175.505 175.505 174.449 1.056 18224 10768 1 31 . 1 1 27 27 SER CA C 27 59.611 59.611 59.837 -0.226 18224 10769 1 31 . 1 1 27 27 SER CB C 27 64.117 64.117 61.380 2.737 18224 10770 1 31 . 1 1 27 27 SER H H 27 8.046 8.046 8.422 -0.376 18224 10771 1 31 . 1 1 28 28 GLY N N 28 111.049 111.049 105.219 5.830 18224 10772 1 31 . 1 1 28 28 GLY C C 28 174.495 174.495 174.187 0.308 18224 10773 1 31 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.387 0.734 18224 10774 1 31 . 1 1 28 28 GLY H H 28 8.304 8.304 8.181 0.123 18224 10775 1 31 . 1 1 29 29 ALA N N 29 121.693 121.693 120.529 1.164 18224 10776 1 31 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.042 0.307 18224 10777 1 31 . 1 1 29 29 ALA C C 29 177.695 177.695 177.150 0.545 18224 10778 1 31 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.193 -0.082 18224 10779 1 31 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.784 2.180 18224 10780 1 31 . 1 1 29 29 ALA H H 29 7.941 7.941 7.991 -0.050 18224 10781 1 31 . 1 1 30 30 LEU N N 30 117.996 117.996 119.999 -2.003 18224 10782 1 31 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.437 -0.255 18224 10783 1 31 . 1 1 30 30 LEU C C 30 177.484 177.484 176.222 1.262 18224 10784 1 31 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.007 2.963 18224 10785 1 31 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.857 -0.435 18224 10786 1 31 . 1 1 30 30 LEU H H 30 7.968 7.968 7.959 0.009 18224 10787 1 31 . 1 1 31 31 ILE N N 31 117.106 117.106 119.235 -2.129 18224 10788 1 31 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.163 -0.224 18224 10789 1 31 . 1 1 31 31 ILE C C 31 174.998 174.998 174.495 0.503 18224 10790 1 31 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.377 3.545 18224 10791 1 31 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.586 -1.478 18224 10792 1 31 . 1 1 31 31 ILE H H 31 8.027 8.027 7.937 0.090 18224 10793 1 31 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.403 -0.119 18224 10794 1 31 . 1 1 32 32 PRO C C 32 178.663 178.663 178.007 0.656 18224 10795 1 31 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.618 0.375 18224 10796 1 31 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.180 -0.124 18224 10797 1 31 . 1 1 33 33 ALA N N 33 119.031 119.031 120.547 -1.516 18224 10798 1 31 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.251 -0.085 18224 10799 1 31 . 1 1 33 33 ALA C C 33 178.942 178.942 179.347 -0.405 18224 10800 1 31 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.401 1.139 18224 10801 1 31 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.442 0.043 18224 10802 1 31 . 1 1 33 33 ALA H H 33 7.580 7.580 8.453 -0.873 18224 10803 1 31 . 1 1 34 34 ILE N N 34 117.923 117.923 118.457 -0.534 18224 10804 1 31 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.886 -0.187 18224 10805 1 31 . 1 1 34 34 ILE C C 34 177.833 177.833 177.502 0.331 18224 10806 1 31 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.878 1.234 18224 10807 1 31 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.135 -0.783 18224 10808 1 31 . 1 1 34 34 ILE H H 34 8.234 8.234 7.422 0.812 18224 10809 1 31 . 1 1 35 35 TYR N N 35 118.746 118.746 120.531 -1.785 18224 10810 1 31 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.082 0.033 18224 10811 1 31 . 1 1 35 35 TYR C C 35 178.044 178.044 177.808 0.236 18224 10812 1 31 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.666 -0.908 18224 10813 1 31 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.660 -0.645 18224 10814 1 31 . 1 1 35 35 TYR H H 35 8.355 8.355 7.618 0.737 18224 10815 1 31 . 1 1 36 36 MET N N 36 117.813 117.813 117.284 0.529 18224 10816 1 31 . 1 1 36 36 MET HA H 36 4.281 4.281 4.267 0.014 18224 10817 1 31 . 1 1 36 36 MET C C 36 178.139 178.139 178.518 -0.379 18224 10818 1 31 . 1 1 36 36 MET CA C 36 58.482 58.482 59.047 -0.565 18224 10819 1 31 . 1 1 36 36 MET CB C 36 31.716 31.716 32.500 -0.784 18224 10820 1 31 . 1 1 36 36 MET H H 36 8.107 8.107 7.828 0.279 18224 10821 1 31 . 1 1 37 37 LEU N N 37 120.311 120.311 117.524 2.787 18224 10822 1 31 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.119 -0.044 18224 10823 1 31 . 1 1 37 37 LEU C C 37 178.399 178.399 177.850 0.549 18224 10824 1 31 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.662 0.808 18224 10825 1 31 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.921 1.032 18224 10826 1 31 . 1 1 37 37 LEU H H 37 8.229 8.229 7.782 0.447 18224 10827 1 31 . 1 1 38 38 VAL N N 38 118.080 118.080 115.261 2.819 18224 10828 1 31 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.072 -0.547 18224 10829 1 31 . 1 1 38 38 VAL C C 38 178.139 178.139 177.390 0.749 18224 10830 1 31 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.307 3.845 18224 10831 1 31 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.332 -0.882 18224 10832 1 31 . 1 1 38 38 VAL H H 38 8.363 8.363 7.305 1.058 18224 10833 1 31 . 1 1 39 39 PHE N N 39 120.151 120.151 121.567 -1.416 18224 10834 1 31 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.360 -0.137 18224 10835 1 31 . 1 1 39 39 PHE C C 39 178.544 178.544 177.078 1.466 18224 10836 1 31 . 1 1 39 39 PHE CA C 39 61.326 61.326 62.200 -0.874 18224 10837 1 31 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.919 -1.003 18224 10838 1 31 . 1 1 39 39 PHE H H 39 8.306 8.306 7.944 0.362 18224 10839 1 31 . 1 1 40 40 LEU N N 40 121.004 121.004 117.124 3.880 18224 10840 1 31 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.247 -0.224 18224 10841 1 31 . 1 1 40 40 LEU C C 40 179.704 179.704 177.959 1.745 18224 10842 1 31 . 1 1 40 40 LEU CA C 40 57.938 57.938 56.929 1.009 18224 10843 1 31 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.060 1.232 18224 10844 1 31 . 1 1 40 40 LEU H H 40 8.567 8.567 7.937 0.630 18224 10845 1 31 . 1 1 41 41 LEU N N 41 119.593 119.593 120.010 -0.417 18224 10846 1 31 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.164 -0.103 18224 10847 1 31 . 1 1 41 41 LEU C C 41 178.966 178.966 177.725 1.241 18224 10848 1 31 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.201 1.495 18224 10849 1 31 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.607 -0.815 18224 10850 1 31 . 1 1 41 41 LEU H H 41 8.503 8.503 7.750 0.753 18224 10851 1 31 . 1 1 42 42 GLY N N 42 105.838 105.838 102.078 3.760 18224 10852 1 31 . 1 1 42 42 GLY C C 42 175.587 175.587 173.869 1.718 18224 10853 1 31 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.537 1.033 18224 10854 1 31 . 1 1 42 42 GLY H H 42 8.355 8.355 7.640 0.715 18224 10855 1 31 . 1 1 43 43 THR N N 43 112.333 112.333 114.679 -2.346 18224 10856 1 31 . 1 1 43 43 THR HA H 43 4.290 4.290 4.229 0.061 18224 10857 1 31 . 1 1 43 43 THR C C 43 175.765 175.765 174.972 0.793 18224 10858 1 31 . 1 1 43 43 THR CA C 43 63.680 63.680 62.703 0.977 18224 10859 1 31 . 1 1 43 43 THR CB C 43 69.626 69.626 69.122 0.504 18224 10860 1 31 . 1 1 43 43 THR H H 43 7.895 7.895 8.143 -0.248 18224 10861 1 31 . 1 1 44 44 THR N N 44 112.041 112.041 113.333 -1.292 18224 10862 1 31 . 1 1 44 44 THR HA H 44 4.388 4.388 4.530 -0.142 18224 10863 1 31 . 1 1 44 44 THR C C 44 175.555 175.555 175.065 0.490 18224 10864 1 31 . 1 1 44 44 THR CA C 44 62.732 62.732 62.197 0.535 18224 10865 1 31 . 1 1 44 44 THR CB C 44 70.240 70.240 69.615 0.625 18224 10866 1 31 . 1 1 44 44 THR H H 44 7.684 7.684 7.795 -0.111 18224 10867 1 31 . 1 1 45 45 GLY N N 45 109.756 109.756 108.328 1.428 18224 10868 1 31 . 1 1 45 45 GLY C C 45 174.948 174.948 173.576 1.372 18224 10869 1 31 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.138 1.214 18224 10870 1 31 . 1 1 45 45 GLY H H 45 8.058 8.058 7.933 0.125 18224 10871 1 31 . 1 1 46 46 ASN N N 46 117.561 117.561 117.820 -0.259 18224 10872 1 31 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.554 0.291 18224 10873 1 31 . 1 1 46 46 ASN C C 46 175.853 175.853 174.818 1.035 18224 10874 1 31 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.744 0.348 18224 10875 1 31 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.000 1.513 18224 10876 1 31 . 1 1 46 46 ASN H H 46 8.202 8.202 8.540 -0.338 18224 10877 1 31 . 1 1 47 47 GLY N N 47 108.715 108.715 105.092 3.623 18224 10878 1 31 . 1 1 47 47 GLY C C 47 174.431 174.431 173.977 0.454 18224 10879 1 31 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.332 1.829 18224 10880 1 31 . 1 1 47 47 GLY H H 47 8.600 8.600 8.119 0.481 18224 10881 1 31 . 1 1 48 48 LEU N N 48 120.089 120.089 120.760 -0.671 18224 10882 1 31 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.956 -0.637 18224 10883 1 31 . 1 1 48 48 LEU C C 48 179.243 179.243 177.018 2.225 18224 10884 1 31 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.089 2.227 18224 10885 1 31 . 1 1 48 48 LEU CB C 48 41.838 41.838 43.276 -1.438 18224 10886 1 31 . 1 1 48 48 LEU H H 48 8.003 8.003 7.867 0.136 18224 10887 1 31 . 1 1 49 49 VAL N N 49 120.573 120.573 119.962 0.611 18224 10888 1 31 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.027 -0.206 18224 10889 1 31 . 1 1 49 49 VAL C C 49 177.520 177.520 177.357 0.163 18224 10890 1 31 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.035 1.026 18224 10891 1 31 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.563 -0.075 18224 10892 1 31 . 1 1 49 49 VAL H H 49 7.910 7.910 7.982 -0.072 18224 10893 1 31 . 1 1 50 50 LEU N N 50 119.718 119.718 119.744 -0.026 18224 10894 1 31 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.603 -0.576 18224 10895 1 31 . 1 1 50 50 LEU C C 50 178.169 178.169 178.594 -0.425 18224 10896 1 31 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.815 1.237 18224 10897 1 31 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.269 0.472 18224 10898 1 31 . 1 1 50 50 LEU H H 50 7.860 7.860 8.018 -0.158 18224 10899 1 31 . 1 1 51 51 TRP N N 51 118.071 118.071 121.235 -3.164 18224 10900 1 31 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.698 -0.156 18224 10901 1 31 . 1 1 51 51 TRP C C 51 177.296 177.296 177.731 -0.435 18224 10902 1 31 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.771 0.147 18224 10903 1 31 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.917 1.058 18224 10904 1 31 . 1 1 51 51 TRP H H 51 8.109 8.109 8.150 -0.041 18224 10905 1 31 . 1 1 52 52 THR N N 52 113.243 113.243 116.032 -2.789 18224 10906 1 31 . 1 1 52 52 THR HA H 52 3.773 3.773 3.560 0.213 18224 10907 1 31 . 1 1 52 52 THR C C 52 176.402 176.402 176.324 0.078 18224 10908 1 31 . 1 1 52 52 THR CA C 52 66.690 66.690 65.118 1.573 18224 10909 1 31 . 1 1 52 52 THR CB C 52 68.921 68.921 68.271 0.650 18224 10910 1 31 . 1 1 52 52 THR H H 52 8.072 8.072 7.655 0.417 18224 10911 1 31 . 1 1 53 53 VAL N N 53 120.307 120.307 121.242 -0.935 18224 10912 1 31 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.620 0.043 18224 10913 1 31 . 1 1 53 53 VAL C C 53 177.362 177.362 177.329 0.033 18224 10914 1 31 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.902 -0.610 18224 10915 1 31 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.308 0.409 18224 10916 1 31 . 1 1 53 53 VAL H H 53 8.006 8.006 7.448 0.558 18224 10917 1 31 . 1 1 54 54 PHE N N 54 119.041 119.041 118.823 0.218 18224 10918 1 31 . 1 1 54 54 PHE HA H 54 4.228 4.228 3.987 0.241 18224 10919 1 31 . 1 1 54 54 PHE C C 54 177.476 177.476 176.162 1.314 18224 10920 1 31 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.867 0.025 18224 10921 1 31 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.616 -0.020 18224 10922 1 31 . 1 1 54 54 PHE H H 54 8.143 8.143 7.591 0.552 18224 10923 1 31 . 1 1 55 55 ARG N N 55 117.543 117.543 118.657 -1.114 18224 10924 1 31 . 1 1 55 55 ARG HA H 55 3.863 3.863 2.794 1.069 18224 10925 1 31 . 1 1 55 55 ARG C C 55 177.832 177.832 177.959 -0.127 18224 10926 1 31 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.183 0.523 18224 10927 1 31 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.544 -0.068 18224 10928 1 31 . 1 1 55 55 ARG H H 55 8.112 8.112 6.630 1.482 18224 10929 1 31 . 1 1 56 56 LYS N N 56 118.390 118.390 117.913 0.477 18224 10930 1 31 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.915 0.248 18224 10931 1 31 . 1 1 56 56 LYS C C 56 177.400 177.400 179.201 -1.801 18224 10932 1 31 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.563 -0.853 18224 10933 1 31 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.948 0.831 18224 10934 1 31 . 1 1 56 56 LYS H H 56 7.789 7.789 7.946 -0.157 18224 10935 1 31 . 1 1 57 57 LYS N N 57 118.190 118.190 118.243 -0.053 18224 10936 1 31 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.115 0.144 18224 10937 1 31 . 1 1 57 57 LYS C C 57 176.791 176.791 176.874 -0.083 18224 10938 1 31 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.006 0.419 18224 10939 1 31 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.548 2.275 18224 10940 1 31 . 1 1 57 57 LYS H H 57 7.821 7.821 7.593 0.228 18224 10941 1 31 . 1 1 58 58 GLY N N 58 107.289 107.289 108.917 -1.628 18224 10942 1 31 . 1 1 58 58 GLY C C 58 173.607 173.607 174.356 -0.749 18224 10943 1 31 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.056 -0.582 18224 10944 1 31 . 1 1 58 58 GLY H H 58 7.927 7.927 8.216 -0.289 18224 10945 1 31 . 1 1 59 59 HIS N N 59 116.847 116.847 117.705 -0.858 18224 10946 1 31 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.496 0.197 18224 10947 1 31 . 1 1 59 59 HIS C C 59 174.153 174.153 174.968 -0.815 18224 10948 1 31 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.089 -0.931 18224 10949 1 31 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.704 -1.789 18224 10950 1 31 . 1 1 59 59 HIS H H 59 8.120 8.120 7.916 0.204 18224 10951 1 31 . 1 1 60 60 HIS N N 60 118.028 118.028 119.909 -1.881 18224 10952 1 31 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.387 0.305 18224 10953 1 31 . 1 1 60 60 HIS C C 60 173.987 173.987 175.219 -1.232 18224 10954 1 31 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.603 -0.095 18224 10955 1 31 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.913 -1.088 18224 10956 1 31 . 1 1 60 60 HIS H H 60 8.328 8.328 7.526 0.802 18224 10957 1 31 . 1 1 61 61 HIS N N 61 118.101 118.101 118.419 -0.318 18224 10958 1 31 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.543 0.147 18224 10959 1 31 . 1 1 61 61 HIS C C 61 174.032 174.032 175.453 -1.421 18224 10960 1 31 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.987 -0.269 18224 10961 1 31 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.853 -0.958 18224 10962 1 31 . 1 1 61 61 HIS H H 61 8.351 8.351 8.043 0.308 18224 10963 1 31 . 1 1 62 62 HIS N N 62 118.704 118.704 119.810 -1.106 18224 10964 1 31 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.577 0.124 18224 10965 1 31 . 1 1 62 62 HIS C C 62 173.803 173.803 174.935 -1.132 18224 10966 1 31 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.192 -0.588 18224 10967 1 31 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.953 -0.790 18224 10968 1 31 . 1 1 62 62 HIS H H 62 8.381 8.381 8.604 -0.223 18224 10969 1 31 . 1 1 63 63 HIS N N 63 118.853 118.853 123.663 -4.810 18224 10970 1 31 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.248 0.433 18224 10971 1 31 . 1 1 63 63 HIS C C 63 173.576 173.576 175.373 -1.797 18224 10972 1 31 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.420 -1.722 18224 10973 1 31 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.528 -1.395 18224 10974 1 31 . 1 1 63 63 HIS H H 63 8.299 8.299 8.807 -0.508 18224 10975 1 32 . 1 1 2 2 GLU N N 2 122.762 122.762 122.122 0.640 18224 10976 1 32 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.149 0.288 18224 10977 1 32 . 1 1 2 2 GLU C C 2 175.581 175.581 175.433 0.148 18224 10978 1 32 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.558 -1.198 18224 10979 1 32 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.189 0.393 18224 10980 1 32 . 1 1 2 2 GLU H H 2 8.628 8.628 8.725 -0.097 18224 10981 1 32 . 1 1 3 3 GLU N N 3 121.071 121.071 120.770 0.301 18224 10982 1 32 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.025 0.356 18224 10983 1 32 . 1 1 3 3 GLU C C 3 176.457 176.457 175.875 0.582 18224 10984 1 32 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.727 -0.379 18224 10985 1 32 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.582 -0.383 18224 10986 1 32 . 1 1 3 3 GLU H H 3 8.393 8.393 8.845 -0.452 18224 10987 1 32 . 1 1 4 4 GLY N N 4 109.717 109.717 112.678 -2.961 18224 10988 1 32 . 1 1 4 4 GLY C C 4 174.677 174.677 174.738 -0.061 18224 10989 1 32 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.861 0.780 18224 10990 1 32 . 1 1 4 4 GLY H H 4 8.377 8.377 8.486 -0.109 18224 10991 1 32 . 1 1 5 5 GLY N N 5 108.373 108.373 109.914 -1.541 18224 10992 1 32 . 1 1 5 5 GLY C C 5 174.047 174.047 173.218 0.829 18224 10993 1 32 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.030 0.542 18224 10994 1 32 . 1 1 5 5 GLY H H 5 8.115 8.115 8.090 0.025 18224 10995 1 32 . 1 1 6 6 ASP N N 6 118.996 118.996 124.850 -5.854 18224 10996 1 32 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.521 0.128 18224 10997 1 32 . 1 1 6 6 ASP C C 6 175.903 175.903 175.037 0.866 18224 10998 1 32 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.998 0.047 18224 10999 1 32 . 1 1 6 6 ASP CB C 6 39.344 39.344 43.039 -3.695 18224 11000 1 32 . 1 1 6 6 ASP H H 6 8.166 8.166 7.774 0.392 18224 11001 1 32 . 1 1 7 7 PHE N N 7 119.750 119.750 121.007 -1.257 18224 11002 1 32 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.726 -0.176 18224 11003 1 32 . 1 1 7 7 PHE C C 7 175.919 175.919 176.337 -0.418 18224 11004 1 32 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.906 1.026 18224 11005 1 32 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.353 -1.173 18224 11006 1 32 . 1 1 7 7 PHE H H 7 8.151 8.151 8.187 -0.036 18224 11007 1 32 . 1 1 8 8 ASP N N 8 118.526 118.526 120.489 -1.963 18224 11008 1 32 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.783 -0.285 18224 11009 1 32 . 1 1 8 8 ASP C C 8 175.787 175.787 175.448 0.339 18224 11010 1 32 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.594 0.041 18224 11011 1 32 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.087 -1.883 18224 11012 1 32 . 1 1 8 8 ASP H H 8 8.161 8.161 8.589 -0.428 18224 11013 1 32 . 1 1 9 9 ASN N N 9 117.291 117.291 119.416 -2.125 18224 11014 1 32 . 1 1 9 9 ASN HA H 9 4.571 4.571 5.033 -0.462 18224 11015 1 32 . 1 1 9 9 ASN C C 9 175.142 175.142 174.638 0.504 18224 11016 1 32 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.419 1.515 18224 11017 1 32 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.789 0.003 18224 11018 1 32 . 1 1 9 9 ASN H H 9 8.013 8.013 8.380 -0.367 18224 11019 1 32 . 1 1 10 10 TYR N N 10 119.112 119.112 122.598 -3.486 18224 11020 1 32 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.098 0.348 18224 11021 1 32 . 1 1 10 10 TYR C C 10 175.513 175.513 175.380 0.133 18224 11022 1 32 . 1 1 10 10 TYR CA C 10 58.974 58.974 59.632 -0.658 18224 11023 1 32 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.166 0.716 18224 11024 1 32 . 1 1 10 10 TYR H H 10 7.848 7.848 8.052 -0.204 18224 11025 1 32 . 1 1 11 11 TYR N N 11 119.438 119.438 118.482 0.956 18224 11026 1 32 . 1 1 11 11 TYR HA H 11 4.507 4.507 3.969 0.538 18224 11027 1 32 . 1 1 11 11 TYR C C 11 175.939 175.939 174.600 1.339 18224 11028 1 32 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.276 1.021 18224 11029 1 32 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.573 0.394 18224 11030 1 32 . 1 1 11 11 TYR H H 11 7.849 7.849 7.899 -0.050 18224 11031 1 32 . 1 1 12 12 GLY N N 12 109.685 109.685 110.889 -1.204 18224 11032 1 32 . 1 1 12 12 GLY C C 12 174.099 174.099 172.501 1.598 18224 11033 1 32 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.323 1.222 18224 11034 1 32 . 1 1 12 12 GLY H H 12 7.792 7.792 8.119 -0.327 18224 11035 1 32 . 1 1 13 13 ALA N N 13 123.072 123.072 124.632 -1.560 18224 11036 1 32 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.648 -0.373 18224 11037 1 32 . 1 1 13 13 ALA C C 13 177.669 177.669 176.485 1.184 18224 11038 1 32 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.095 0.875 18224 11039 1 32 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.974 -0.683 18224 11040 1 32 . 1 1 13 13 ALA H H 13 7.880 7.880 8.131 -0.251 18224 11041 1 32 . 1 1 14 14 ASP N N 14 117.540 117.540 121.432 -3.892 18224 11042 1 32 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.668 -0.019 18224 11043 1 32 . 1 1 14 14 ASP C C 14 175.649 175.649 175.635 0.014 18224 11044 1 32 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.657 -0.693 18224 11045 1 32 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.417 0.265 18224 11046 1 32 . 1 1 14 14 ASP H H 14 8.281 8.281 8.712 -0.431 18224 11047 1 32 . 1 1 15 15 ASN N N 15 118.400 118.400 119.820 -1.420 18224 11048 1 32 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.785 -0.099 18224 11049 1 32 . 1 1 15 15 ASN C C 15 175.351 175.351 176.292 -0.941 18224 11050 1 32 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.070 0.538 18224 11051 1 32 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.873 -0.931 18224 11052 1 32 . 1 1 15 15 ASN H H 15 8.137 8.137 8.298 -0.161 18224 11053 1 32 . 1 1 16 16 GLN N N 16 120.072 120.072 118.846 1.226 18224 11054 1 32 . 1 1 16 16 GLN HA H 16 4.360 4.360 3.991 0.369 18224 11055 1 32 . 1 1 16 16 GLN C C 16 176.206 176.206 174.026 2.180 18224 11056 1 32 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.627 -0.225 18224 11057 1 32 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.303 0.866 18224 11058 1 32 . 1 1 16 16 GLN H H 16 8.284 8.284 8.511 -0.227 18224 11059 1 32 . 1 1 17 17 SER N N 17 116.112 116.112 112.001 4.111 18224 11060 1 32 . 1 1 17 17 SER HA H 17 4.440 4.440 4.558 -0.118 18224 11061 1 32 . 1 1 17 17 SER C C 17 174.568 174.568 173.711 0.857 18224 11062 1 32 . 1 1 17 17 SER CA C 17 58.911 58.911 57.431 1.480 18224 11063 1 32 . 1 1 17 17 SER CB C 17 63.897 63.897 64.994 -1.097 18224 11064 1 32 . 1 1 17 17 SER H H 17 8.211 8.211 7.725 0.486 18224 11065 1 32 . 1 1 18 18 GLU N N 18 121.378 121.378 127.506 -6.128 18224 11066 1 32 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.298 0.081 18224 11067 1 32 . 1 1 18 18 GLU C C 18 175.934 175.934 175.361 0.573 18224 11068 1 32 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.464 0.942 18224 11069 1 32 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.672 0.461 18224 11070 1 32 . 1 1 18 18 GLU H H 18 8.262 8.262 8.767 -0.505 18224 11071 1 32 . 1 1 19 19 CYS N N 19 119.418 119.418 119.022 0.396 18224 11072 1 32 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.724 -0.280 18224 11073 1 32 . 1 1 19 19 CYS C C 19 174.568 174.568 174.379 0.189 18224 11074 1 32 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.234 1.605 18224 11075 1 32 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.226 -2.253 18224 11076 1 32 . 1 1 19 19 CYS H H 19 8.182 8.182 7.873 0.309 18224 11077 1 32 . 1 1 20 20 GLU N N 20 122.737 122.737 118.898 3.839 18224 11078 1 32 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.837 0.470 18224 11079 1 32 . 1 1 20 20 GLU C C 20 176.083 176.083 175.455 0.628 18224 11080 1 32 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.813 -1.273 18224 11081 1 32 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.381 0.485 18224 11082 1 32 . 1 1 20 20 GLU H H 20 8.303 8.303 8.839 -0.536 18224 11083 1 32 . 1 1 21 21 TYR N N 21 119.549 119.549 112.927 6.622 18224 11084 1 32 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.211 0.263 18224 11085 1 32 . 1 1 21 21 TYR C C 21 175.826 175.826 174.383 1.443 18224 11086 1 32 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.333 -0.661 18224 11087 1 32 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.982 0.607 18224 11088 1 32 . 1 1 21 21 TYR H H 21 7.888 7.888 7.908 -0.020 18224 11089 1 32 . 1 1 22 22 THR N N 22 112.218 112.218 112.561 -0.343 18224 11090 1 32 . 1 1 22 22 THR HA H 22 4.163 4.163 2.800 1.363 18224 11091 1 32 . 1 1 22 22 THR C C 22 174.737 174.737 173.646 1.091 18224 11092 1 32 . 1 1 22 22 THR CA C 22 62.778 62.778 63.682 -0.904 18224 11093 1 32 . 1 1 22 22 THR CB C 22 69.531 69.531 68.779 0.752 18224 11094 1 32 . 1 1 22 22 THR H H 22 7.683 7.683 7.140 0.543 18224 11095 1 32 . 1 1 23 23 ASP N N 23 121.090 121.090 120.256 0.834 18224 11096 1 32 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.557 0.154 18224 11097 1 32 . 1 1 23 23 ASP C C 23 176.279 176.279 177.693 -1.414 18224 11098 1 32 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.507 0.603 18224 11099 1 32 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.816 -0.478 18224 11100 1 32 . 1 1 23 23 ASP H H 23 8.059 8.059 7.250 0.809 18224 11101 1 32 . 1 1 24 24 TRP N N 24 121.546 121.546 121.134 0.412 18224 11102 1 32 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.347 0.139 18224 11103 1 32 . 1 1 24 24 TRP C C 24 177.051 177.051 177.434 -0.383 18224 11104 1 32 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.234 0.594 18224 11105 1 32 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.950 1.118 18224 11106 1 32 . 1 1 24 24 TRP H H 24 7.888 7.888 7.090 0.798 18224 11107 1 32 . 1 1 25 25 LYS N N 25 120.106 120.106 120.130 -0.024 18224 11108 1 32 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.417 -0.427 18224 11109 1 32 . 1 1 25 25 LYS C C 25 176.764 176.764 175.704 1.060 18224 11110 1 32 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.430 1.292 18224 11111 1 32 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.384 1.917 18224 11112 1 32 . 1 1 25 25 LYS H H 25 7.620 7.620 8.217 -0.597 18224 11113 1 32 . 1 1 26 26 SER N N 26 114.114 114.114 116.961 -2.847 18224 11114 1 32 . 1 1 26 26 SER HA H 26 4.471 4.471 4.557 -0.086 18224 11115 1 32 . 1 1 26 26 SER C C 26 175.124 175.124 173.829 1.295 18224 11116 1 32 . 1 1 26 26 SER CA C 26 58.757 58.757 57.916 0.841 18224 11117 1 32 . 1 1 26 26 SER CB C 26 63.812 63.812 63.821 -0.009 18224 11118 1 32 . 1 1 26 26 SER H H 26 7.796 7.796 7.949 -0.153 18224 11119 1 32 . 1 1 27 27 SER N N 27 116.655 116.655 113.752 2.903 18224 11120 1 32 . 1 1 27 27 SER HA H 27 4.386 4.386 4.209 0.177 18224 11121 1 32 . 1 1 27 27 SER C C 27 175.505 175.505 175.421 0.084 18224 11122 1 32 . 1 1 27 27 SER CA C 27 59.611 59.611 59.142 0.468 18224 11123 1 32 . 1 1 27 27 SER CB C 27 64.117 64.117 61.773 2.344 18224 11124 1 32 . 1 1 27 27 SER H H 27 8.046 8.046 8.458 -0.412 18224 11125 1 32 . 1 1 28 28 GLY N N 28 111.049 111.049 108.758 2.291 18224 11126 1 32 . 1 1 28 28 GLY C C 28 174.495 174.495 174.136 0.359 18224 11127 1 32 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.393 -0.272 18224 11128 1 32 . 1 1 28 28 GLY H H 28 8.304 8.304 8.459 -0.155 18224 11129 1 32 . 1 1 29 29 ALA N N 29 121.693 121.693 122.153 -0.460 18224 11130 1 32 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.483 -0.134 18224 11131 1 32 . 1 1 29 29 ALA C C 29 177.695 177.695 176.506 1.189 18224 11132 1 32 . 1 1 29 29 ALA CA C 29 53.111 53.111 51.247 1.864 18224 11133 1 32 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.291 2.673 18224 11134 1 32 . 1 1 29 29 ALA H H 29 7.941 7.941 8.144 -0.203 18224 11135 1 32 . 1 1 30 30 LEU N N 30 117.996 117.996 118.739 -0.743 18224 11136 1 32 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.645 -0.463 18224 11137 1 32 . 1 1 30 30 LEU C C 30 177.484 177.484 177.717 -0.233 18224 11138 1 32 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.818 1.152 18224 11139 1 32 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.639 -0.217 18224 11140 1 32 . 1 1 30 30 LEU H H 30 7.968 7.968 7.745 0.223 18224 11141 1 32 . 1 1 31 31 ILE N N 31 117.106 117.106 120.187 -3.081 18224 11142 1 32 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.324 -0.385 18224 11143 1 32 . 1 1 31 31 ILE C C 31 174.998 174.998 175.275 -0.277 18224 11144 1 32 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.811 3.111 18224 11145 1 32 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.511 -0.403 18224 11146 1 32 . 1 1 31 31 ILE H H 31 8.027 8.027 8.436 -0.409 18224 11147 1 32 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.328 -0.044 18224 11148 1 32 . 1 1 32 32 PRO C C 32 178.663 178.663 178.221 0.442 18224 11149 1 32 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.038 -0.045 18224 11150 1 32 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.946 0.110 18224 11151 1 32 . 1 1 33 33 ALA N N 33 119.031 119.031 118.069 0.962 18224 11152 1 32 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.083 0.083 18224 11153 1 32 . 1 1 33 33 ALA C C 33 178.942 178.942 179.631 -0.689 18224 11154 1 32 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.577 0.963 18224 11155 1 32 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.266 0.219 18224 11156 1 32 . 1 1 33 33 ALA H H 33 7.580 7.580 8.368 -0.788 18224 11157 1 32 . 1 1 34 34 ILE N N 34 117.923 117.923 117.393 0.530 18224 11158 1 32 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.907 -0.208 18224 11159 1 32 . 1 1 34 34 ILE C C 34 177.833 177.833 177.284 0.549 18224 11160 1 32 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.730 2.381 18224 11161 1 32 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.731 -0.380 18224 11162 1 32 . 1 1 34 34 ILE H H 34 8.234 8.234 7.446 0.788 18224 11163 1 32 . 1 1 35 35 TYR N N 35 118.746 118.746 120.728 -1.982 18224 11164 1 32 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.136 -0.021 18224 11165 1 32 . 1 1 35 35 TYR C C 35 178.044 178.044 177.992 0.052 18224 11166 1 32 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.429 -0.672 18224 11167 1 32 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.762 -0.747 18224 11168 1 32 . 1 1 35 35 TYR H H 35 8.355 8.355 8.057 0.298 18224 11169 1 32 . 1 1 36 36 MET N N 36 117.813 117.813 116.801 1.012 18224 11170 1 32 . 1 1 36 36 MET HA H 36 4.281 4.281 3.981 0.300 18224 11171 1 32 . 1 1 36 36 MET C C 36 178.139 178.139 177.958 0.181 18224 11172 1 32 . 1 1 36 36 MET CA C 36 58.482 58.482 59.153 -0.671 18224 11173 1 32 . 1 1 36 36 MET CB C 36 31.716 31.716 31.754 -0.038 18224 11174 1 32 . 1 1 36 36 MET H H 36 8.107 8.107 8.500 -0.393 18224 11175 1 32 . 1 1 37 37 LEU N N 37 120.311 120.311 120.306 0.005 18224 11176 1 32 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.138 -0.063 18224 11177 1 32 . 1 1 37 37 LEU C C 37 178.399 178.399 178.758 -0.359 18224 11178 1 32 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.166 0.304 18224 11179 1 32 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.126 0.827 18224 11180 1 32 . 1 1 37 37 LEU H H 37 8.229 8.229 7.725 0.504 18224 11181 1 32 . 1 1 38 38 VAL N N 38 118.080 118.080 115.406 2.674 18224 11182 1 32 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.799 -0.274 18224 11183 1 32 . 1 1 38 38 VAL C C 38 178.139 178.139 176.884 1.255 18224 11184 1 32 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.026 3.126 18224 11185 1 32 . 1 1 38 38 VAL CB C 38 31.450 31.450 30.565 0.885 18224 11186 1 32 . 1 1 38 38 VAL H H 38 8.363 8.363 7.779 0.584 18224 11187 1 32 . 1 1 39 39 PHE N N 39 120.151 120.151 121.559 -1.408 18224 11188 1 32 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.587 -0.364 18224 11189 1 32 . 1 1 39 39 PHE C C 39 178.544 178.544 176.238 2.306 18224 11190 1 32 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.291 0.035 18224 11191 1 32 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.956 -3.040 18224 11192 1 32 . 1 1 39 39 PHE H H 39 8.306 8.306 7.946 0.360 18224 11193 1 32 . 1 1 40 40 LEU N N 40 121.004 121.004 119.303 1.701 18224 11194 1 32 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.410 -0.387 18224 11195 1 32 . 1 1 40 40 LEU C C 40 179.704 179.704 178.402 1.302 18224 11196 1 32 . 1 1 40 40 LEU CA C 40 57.938 57.938 58.060 -0.122 18224 11197 1 32 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.677 0.615 18224 11198 1 32 . 1 1 40 40 LEU H H 40 8.567 8.567 8.523 0.044 18224 11199 1 32 . 1 1 41 41 LEU N N 41 119.593 119.593 115.773 3.820 18224 11200 1 32 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.334 -0.273 18224 11201 1 32 . 1 1 41 41 LEU C C 41 178.966 178.966 178.497 0.469 18224 11202 1 32 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.804 0.892 18224 11203 1 32 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.626 0.166 18224 11204 1 32 . 1 1 41 41 LEU H H 41 8.503 8.503 7.381 1.122 18224 11205 1 32 . 1 1 42 42 GLY N N 42 105.838 105.838 105.520 0.318 18224 11206 1 32 . 1 1 42 42 GLY C C 42 175.587 175.587 174.793 0.794 18224 11207 1 32 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.823 0.747 18224 11208 1 32 . 1 1 42 42 GLY H H 42 8.355 8.355 8.214 0.141 18224 11209 1 32 . 1 1 43 43 THR N N 43 112.333 112.333 112.118 0.215 18224 11210 1 32 . 1 1 43 43 THR HA H 43 4.290 4.290 4.412 -0.122 18224 11211 1 32 . 1 1 43 43 THR C C 43 175.765 175.765 173.975 1.790 18224 11212 1 32 . 1 1 43 43 THR CA C 43 63.680 63.680 61.558 2.122 18224 11213 1 32 . 1 1 43 43 THR CB C 43 69.626 69.626 69.044 0.582 18224 11214 1 32 . 1 1 43 43 THR H H 43 7.895 7.895 7.648 0.247 18224 11215 1 32 . 1 1 44 44 THR N N 44 112.041 112.041 115.682 -3.641 18224 11216 1 32 . 1 1 44 44 THR HA H 44 4.388 4.388 4.106 0.282 18224 11217 1 32 . 1 1 44 44 THR C C 44 175.555 175.555 174.896 0.659 18224 11218 1 32 . 1 1 44 44 THR CA C 44 62.732 62.732 65.062 -2.330 18224 11219 1 32 . 1 1 44 44 THR CB C 44 70.240 70.240 67.909 2.332 18224 11220 1 32 . 1 1 44 44 THR H H 44 7.684 7.684 8.343 -0.659 18224 11221 1 32 . 1 1 45 45 GLY N N 45 109.756 109.756 110.423 -0.667 18224 11222 1 32 . 1 1 45 45 GLY C C 45 174.948 174.948 172.932 2.016 18224 11223 1 32 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.550 0.802 18224 11224 1 32 . 1 1 45 45 GLY H H 45 8.058 8.058 8.264 -0.206 18224 11225 1 32 . 1 1 46 46 ASN N N 46 117.561 117.561 120.246 -2.685 18224 11226 1 32 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.930 -0.085 18224 11227 1 32 . 1 1 46 46 ASN C C 46 175.853 175.853 174.748 1.105 18224 11228 1 32 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.172 0.920 18224 11229 1 32 . 1 1 46 46 ASN CB C 46 39.513 39.513 39.511 0.002 18224 11230 1 32 . 1 1 46 46 ASN H H 46 8.202 8.202 7.819 0.383 18224 11231 1 32 . 1 1 47 47 GLY N N 47 108.715 108.715 110.020 -1.305 18224 11232 1 32 . 1 1 47 47 GLY C C 47 174.431 174.431 174.045 0.386 18224 11233 1 32 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.679 1.482 18224 11234 1 32 . 1 1 47 47 GLY H H 47 8.600 8.600 8.566 0.034 18224 11235 1 32 . 1 1 48 48 LEU N N 48 120.089 120.089 122.020 -1.931 18224 11236 1 32 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.585 -0.266 18224 11237 1 32 . 1 1 48 48 LEU C C 48 179.243 179.243 178.403 0.840 18224 11238 1 32 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.631 1.685 18224 11239 1 32 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.534 -0.696 18224 11240 1 32 . 1 1 48 48 LEU H H 48 8.003 8.003 8.136 -0.133 18224 11241 1 32 . 1 1 49 49 VAL N N 49 120.573 120.573 120.139 0.434 18224 11242 1 32 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.802 0.019 18224 11243 1 32 . 1 1 49 49 VAL C C 49 177.520 177.520 177.231 0.289 18224 11244 1 32 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.676 0.386 18224 11245 1 32 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.571 -0.083 18224 11246 1 32 . 1 1 49 49 VAL H H 49 7.910 7.910 8.250 -0.340 18224 11247 1 32 . 1 1 50 50 LEU N N 50 119.718 119.718 118.632 1.086 18224 11248 1 32 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.437 -0.410 18224 11249 1 32 . 1 1 50 50 LEU C C 50 178.169 178.169 178.329 -0.160 18224 11250 1 32 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.414 1.638 18224 11251 1 32 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.194 0.547 18224 11252 1 32 . 1 1 50 50 LEU H H 50 7.860 7.860 7.868 -0.008 18224 11253 1 32 . 1 1 51 51 TRP N N 51 118.071 118.071 122.197 -4.126 18224 11254 1 32 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.696 -0.154 18224 11255 1 32 . 1 1 51 51 TRP C C 51 177.296 177.296 176.998 0.298 18224 11256 1 32 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.940 -0.022 18224 11257 1 32 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.104 0.871 18224 11258 1 32 . 1 1 51 51 TRP H H 51 8.109 8.109 8.459 -0.350 18224 11259 1 32 . 1 1 52 52 THR N N 52 113.243 113.243 114.670 -1.427 18224 11260 1 32 . 1 1 52 52 THR HA H 52 3.773 3.773 3.684 0.089 18224 11261 1 32 . 1 1 52 52 THR C C 52 176.402 176.402 176.076 0.326 18224 11262 1 32 . 1 1 52 52 THR CA C 52 66.690 66.690 64.662 2.027 18224 11263 1 32 . 1 1 52 52 THR CB C 52 68.921 68.921 68.856 0.065 18224 11264 1 32 . 1 1 52 52 THR H H 52 8.072 8.072 7.598 0.474 18224 11265 1 32 . 1 1 53 53 VAL N N 53 120.307 120.307 121.878 -1.571 18224 11266 1 32 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.664 -0.001 18224 11267 1 32 . 1 1 53 53 VAL C C 53 177.362 177.362 177.231 0.131 18224 11268 1 32 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.891 0.401 18224 11269 1 32 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.312 0.405 18224 11270 1 32 . 1 1 53 53 VAL H H 53 8.006 8.006 7.430 0.576 18224 11271 1 32 . 1 1 54 54 PHE N N 54 119.041 119.041 119.038 0.003 18224 11272 1 32 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.035 0.193 18224 11273 1 32 . 1 1 54 54 PHE C C 54 177.476 177.476 175.817 1.659 18224 11274 1 32 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.553 0.339 18224 11275 1 32 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.917 -0.321 18224 11276 1 32 . 1 1 54 54 PHE H H 54 8.143 8.143 7.695 0.448 18224 11277 1 32 . 1 1 55 55 ARG N N 55 117.543 117.543 118.595 -1.052 18224 11278 1 32 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.132 0.731 18224 11279 1 32 . 1 1 55 55 ARG C C 55 177.832 177.832 177.962 -0.130 18224 11280 1 32 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.296 0.410 18224 11281 1 32 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.919 -0.443 18224 11282 1 32 . 1 1 55 55 ARG H H 55 8.112 8.112 6.960 1.152 18224 11283 1 32 . 1 1 56 56 LYS N N 56 118.390 118.390 118.654 -0.264 18224 11284 1 32 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.872 0.291 18224 11285 1 32 . 1 1 56 56 LYS C C 56 177.400 177.400 178.863 -1.463 18224 11286 1 32 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.889 -1.179 18224 11287 1 32 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.004 0.775 18224 11288 1 32 . 1 1 56 56 LYS H H 56 7.789 7.789 8.070 -0.281 18224 11289 1 32 . 1 1 57 57 LYS N N 57 118.190 118.190 118.306 -0.116 18224 11290 1 32 . 1 1 57 57 LYS HA H 57 4.259 4.259 3.801 0.458 18224 11291 1 32 . 1 1 57 57 LYS C C 57 176.791 176.791 176.154 0.637 18224 11292 1 32 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.483 0.942 18224 11293 1 32 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.602 2.221 18224 11294 1 32 . 1 1 57 57 LYS H H 57 7.821 7.821 7.328 0.493 18224 11295 1 32 . 1 1 58 58 GLY N N 58 107.289 107.289 106.489 0.800 18224 11296 1 32 . 1 1 58 58 GLY C C 58 173.607 173.607 174.088 -0.481 18224 11297 1 32 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.730 0.744 18224 11298 1 32 . 1 1 58 58 GLY H H 58 7.927 7.927 7.271 0.656 18224 11299 1 32 . 1 1 59 59 HIS N N 59 116.847 116.847 117.660 -0.813 18224 11300 1 32 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.517 0.176 18224 11301 1 32 . 1 1 59 59 HIS C C 59 174.153 174.153 175.524 -1.371 18224 11302 1 32 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.177 -1.019 18224 11303 1 32 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.388 -1.473 18224 11304 1 32 . 1 1 59 59 HIS H H 59 8.120 8.120 7.351 0.769 18224 11305 1 32 . 1 1 60 60 HIS N N 60 118.028 118.028 118.275 -0.247 18224 11306 1 32 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.211 0.481 18224 11307 1 32 . 1 1 60 60 HIS C C 60 173.987 173.987 175.050 -1.063 18224 11308 1 32 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.857 -1.349 18224 11309 1 32 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.854 -1.029 18224 11310 1 32 . 1 1 60 60 HIS H H 60 8.328 8.328 8.230 0.098 18224 11311 1 32 . 1 1 61 61 HIS N N 61 118.101 118.101 119.141 -1.040 18224 11312 1 32 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.536 0.154 18224 11313 1 32 . 1 1 61 61 HIS C C 61 174.032 174.032 175.789 -1.757 18224 11314 1 32 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.894 -1.176 18224 11315 1 32 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.319 -1.424 18224 11316 1 32 . 1 1 61 61 HIS H H 61 8.351 8.351 8.577 -0.226 18224 11317 1 32 . 1 1 62 62 HIS N N 62 118.704 118.704 118.441 0.263 18224 11318 1 32 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.507 0.194 18224 11319 1 32 . 1 1 62 62 HIS C C 62 173.803 173.803 175.910 -2.107 18224 11320 1 32 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.253 -1.649 18224 11321 1 32 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.312 -1.149 18224 11322 1 32 . 1 1 62 62 HIS H H 62 8.381 8.381 8.483 -0.102 18224 11323 1 32 . 1 1 63 63 HIS N N 63 118.853 118.853 119.372 -0.519 18224 11324 1 32 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.404 0.277 18224 11325 1 32 . 1 1 63 63 HIS C C 63 173.576 173.576 175.124 -1.548 18224 11326 1 32 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.723 -2.025 18224 11327 1 32 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.951 -0.818 18224 11328 1 32 . 1 1 63 63 HIS H H 63 8.299 8.299 8.827 -0.528 18224 11329 1 33 . 1 1 2 2 GLU N N 2 122.762 122.762 120.539 2.223 18224 11330 1 33 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.591 -0.153 18224 11331 1 33 . 1 1 2 2 GLU C C 2 175.581 175.581 175.944 -0.363 18224 11332 1 33 . 1 1 2 2 GLU CA C 2 56.360 56.360 55.798 0.562 18224 11333 1 33 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.393 -0.811 18224 11334 1 33 . 1 1 2 2 GLU H H 2 8.628 8.628 8.320 0.308 18224 11335 1 33 . 1 1 3 3 GLU N N 3 121.071 121.071 118.853 2.218 18224 11336 1 33 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.120 0.261 18224 11337 1 33 . 1 1 3 3 GLU C C 3 176.457 176.457 175.895 0.562 18224 11338 1 33 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.936 -0.588 18224 11339 1 33 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.981 0.218 18224 11340 1 33 . 1 1 3 3 GLU H H 3 8.393 8.393 8.732 -0.340 18224 11341 1 33 . 1 1 4 4 GLY N N 4 109.717 109.717 108.164 1.553 18224 11342 1 33 . 1 1 4 4 GLY C C 4 174.677 174.677 174.583 0.094 18224 11343 1 33 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.950 0.691 18224 11344 1 33 . 1 1 4 4 GLY H H 4 8.377 8.377 8.184 0.193 18224 11345 1 33 . 1 1 5 5 GLY N N 5 108.373 108.373 110.273 -1.900 18224 11346 1 33 . 1 1 5 5 GLY C C 5 174.047 174.047 173.728 0.319 18224 11347 1 33 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.861 0.711 18224 11348 1 33 . 1 1 5 5 GLY H H 5 8.115 8.115 8.077 0.038 18224 11349 1 33 . 1 1 6 6 ASP N N 6 118.996 118.996 124.073 -5.077 18224 11350 1 33 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.703 -0.054 18224 11351 1 33 . 1 1 6 6 ASP C C 6 175.903 175.903 175.453 0.450 18224 11352 1 33 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.151 -0.106 18224 11353 1 33 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.206 -1.863 18224 11354 1 33 . 1 1 6 6 ASP H H 6 8.166 8.166 8.574 -0.408 18224 11355 1 33 . 1 1 7 7 PHE N N 7 119.750 119.750 125.741 -5.991 18224 11356 1 33 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.638 -0.088 18224 11357 1 33 . 1 1 7 7 PHE C C 7 175.919 175.919 174.114 1.805 18224 11358 1 33 . 1 1 7 7 PHE CA C 7 58.932 58.932 59.066 -0.134 18224 11359 1 33 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.810 -1.630 18224 11360 1 33 . 1 1 7 7 PHE H H 7 8.151 8.151 8.379 -0.228 18224 11361 1 33 . 1 1 8 8 ASP N N 8 118.526 118.526 124.890 -6.364 18224 11362 1 33 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.695 -0.197 18224 11363 1 33 . 1 1 8 8 ASP C C 8 175.787 175.787 174.550 1.237 18224 11364 1 33 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.530 0.105 18224 11365 1 33 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.061 -1.858 18224 11366 1 33 . 1 1 8 8 ASP H H 8 8.161 8.161 8.339 -0.178 18224 11367 1 33 . 1 1 9 9 ASN N N 9 117.291 117.291 117.677 -0.386 18224 11368 1 33 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.173 0.398 18224 11369 1 33 . 1 1 9 9 ASN C C 9 175.142 175.142 173.999 1.143 18224 11370 1 33 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.255 1.679 18224 11371 1 33 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.181 -0.390 18224 11372 1 33 . 1 1 9 9 ASN H H 9 8.013 8.013 7.721 0.292 18224 11373 1 33 . 1 1 10 10 TYR N N 10 119.112 119.112 122.160 -3.048 18224 11374 1 33 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.105 0.341 18224 11375 1 33 . 1 1 10 10 TYR C C 10 175.513 175.513 175.536 -0.023 18224 11376 1 33 . 1 1 10 10 TYR CA C 10 58.974 58.974 59.882 -0.908 18224 11377 1 33 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.131 0.752 18224 11378 1 33 . 1 1 10 10 TYR H H 10 7.848 7.848 7.693 0.155 18224 11379 1 33 . 1 1 11 11 TYR N N 11 119.438 119.438 117.196 2.242 18224 11380 1 33 . 1 1 11 11 TYR HA H 11 4.507 4.507 3.820 0.687 18224 11381 1 33 . 1 1 11 11 TYR C C 11 175.939 175.939 175.217 0.722 18224 11382 1 33 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.198 1.099 18224 11383 1 33 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.382 0.585 18224 11384 1 33 . 1 1 11 11 TYR H H 11 7.849 7.849 7.550 0.299 18224 11385 1 33 . 1 1 12 12 GLY N N 12 109.685 109.685 107.088 2.597 18224 11386 1 33 . 1 1 12 12 GLY C C 12 174.099 174.099 173.726 0.373 18224 11387 1 33 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.969 0.576 18224 11388 1 33 . 1 1 12 12 GLY H H 12 7.792 7.792 8.123 -0.331 18224 11389 1 33 . 1 1 13 13 ALA N N 13 123.072 123.072 128.579 -5.507 18224 11390 1 33 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.399 -0.124 18224 11391 1 33 . 1 1 13 13 ALA C C 13 177.669 177.669 176.948 0.721 18224 11392 1 33 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.908 1.062 18224 11393 1 33 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.128 1.162 18224 11394 1 33 . 1 1 13 13 ALA H H 13 7.880 7.880 8.440 -0.560 18224 11395 1 33 . 1 1 14 14 ASP N N 14 117.540 117.540 119.266 -1.726 18224 11396 1 33 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.616 0.033 18224 11397 1 33 . 1 1 14 14 ASP C C 14 175.649 175.649 175.773 -0.124 18224 11398 1 33 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.103 0.861 18224 11399 1 33 . 1 1 14 14 ASP CB C 14 39.683 39.683 40.449 -0.766 18224 11400 1 33 . 1 1 14 14 ASP H H 14 8.281 8.281 7.808 0.473 18224 11401 1 33 . 1 1 15 15 ASN N N 15 118.400 118.400 119.355 -0.955 18224 11402 1 33 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.753 -0.067 18224 11403 1 33 . 1 1 15 15 ASN C C 15 175.351 175.351 175.049 0.302 18224 11404 1 33 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.245 0.363 18224 11405 1 33 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.437 0.505 18224 11406 1 33 . 1 1 15 15 ASN H H 15 8.137 8.137 7.872 0.265 18224 11407 1 33 . 1 1 16 16 GLN N N 16 120.072 120.072 118.090 1.982 18224 11408 1 33 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.329 0.031 18224 11409 1 33 . 1 1 16 16 GLN C C 16 176.206 176.206 176.207 -0.001 18224 11410 1 33 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.896 0.506 18224 11411 1 33 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.782 1.387 18224 11412 1 33 . 1 1 16 16 GLN H H 16 8.284 8.284 8.250 0.034 18224 11413 1 33 . 1 1 17 17 SER N N 17 116.112 116.112 118.202 -2.090 18224 11414 1 33 . 1 1 17 17 SER HA H 17 4.440 4.440 4.407 0.033 18224 11415 1 33 . 1 1 17 17 SER C C 17 174.568 174.568 174.264 0.304 18224 11416 1 33 . 1 1 17 17 SER CA C 17 58.911 58.911 59.218 -0.307 18224 11417 1 33 . 1 1 17 17 SER CB C 17 63.897 63.897 62.450 1.447 18224 11418 1 33 . 1 1 17 17 SER H H 17 8.211 8.211 8.015 0.196 18224 11419 1 33 . 1 1 18 18 GLU N N 18 121.378 121.378 126.612 -5.234 18224 11420 1 33 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.442 -0.063 18224 11421 1 33 . 1 1 18 18 GLU C C 18 175.934 175.934 175.474 0.460 18224 11422 1 33 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.208 0.198 18224 11423 1 33 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.675 0.458 18224 11424 1 33 . 1 1 18 18 GLU H H 18 8.262 8.262 8.777 -0.515 18224 11425 1 33 . 1 1 19 19 CYS N N 19 119.418 119.418 120.684 -1.266 18224 11426 1 33 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.725 -0.281 18224 11427 1 33 . 1 1 19 19 CYS C C 19 174.568 174.568 175.255 -0.687 18224 11428 1 33 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.381 0.458 18224 11429 1 33 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.724 -0.751 18224 11430 1 33 . 1 1 19 19 CYS H H 19 8.182 8.182 8.125 0.057 18224 11431 1 33 . 1 1 20 20 GLU N N 20 122.737 122.737 120.319 2.418 18224 11432 1 33 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.268 0.039 18224 11433 1 33 . 1 1 20 20 GLU C C 20 176.083 176.083 176.443 -0.360 18224 11434 1 33 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.532 -0.992 18224 11435 1 33 . 1 1 20 20 GLU CB C 20 28.866 28.866 30.548 -1.682 18224 11436 1 33 . 1 1 20 20 GLU H H 20 8.303 8.303 8.223 0.080 18224 11437 1 33 . 1 1 21 21 TYR N N 21 119.549 119.549 115.807 3.742 18224 11438 1 33 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.255 0.219 18224 11439 1 33 . 1 1 21 21 TYR C C 21 175.826 175.826 174.590 1.236 18224 11440 1 33 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.712 -0.041 18224 11441 1 33 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.852 0.737 18224 11442 1 33 . 1 1 21 21 TYR H H 21 7.888 7.888 8.245 -0.357 18224 11443 1 33 . 1 1 22 22 THR N N 22 112.218 112.218 111.697 0.521 18224 11444 1 33 . 1 1 22 22 THR HA H 22 4.163 4.163 2.854 1.309 18224 11445 1 33 . 1 1 22 22 THR C C 22 174.737 174.737 173.635 1.102 18224 11446 1 33 . 1 1 22 22 THR CA C 22 62.778 62.778 62.810 -0.033 18224 11447 1 33 . 1 1 22 22 THR CB C 22 69.531 69.531 68.715 0.816 18224 11448 1 33 . 1 1 22 22 THR H H 22 7.683 7.683 7.111 0.572 18224 11449 1 33 . 1 1 23 23 ASP N N 23 121.090 121.090 120.715 0.375 18224 11450 1 33 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.604 0.107 18224 11451 1 33 . 1 1 23 23 ASP C C 23 176.279 176.279 176.346 -0.067 18224 11452 1 33 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.736 1.374 18224 11453 1 33 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.910 -0.572 18224 11454 1 33 . 1 1 23 23 ASP H H 23 8.059 8.059 7.158 0.901 18224 11455 1 33 . 1 1 24 24 TRP N N 24 121.546 121.546 120.458 1.088 18224 11456 1 33 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.417 0.069 18224 11457 1 33 . 1 1 24 24 TRP C C 24 177.051 177.051 177.225 -0.174 18224 11458 1 33 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.215 0.613 18224 11459 1 33 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.899 1.169 18224 11460 1 33 . 1 1 24 24 TRP H H 24 7.888 7.888 7.231 0.657 18224 11461 1 33 . 1 1 25 25 LYS N N 25 120.106 120.106 119.934 0.172 18224 11462 1 33 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.503 -0.513 18224 11463 1 33 . 1 1 25 25 LYS C C 25 176.764 176.764 175.656 1.108 18224 11464 1 33 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.726 0.996 18224 11465 1 33 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.354 1.947 18224 11466 1 33 . 1 1 25 25 LYS H H 25 7.620 7.620 8.177 -0.557 18224 11467 1 33 . 1 1 26 26 SER N N 26 114.114 114.114 116.515 -2.401 18224 11468 1 33 . 1 1 26 26 SER HA H 26 4.471 4.471 4.683 -0.212 18224 11469 1 33 . 1 1 26 26 SER C C 26 175.124 175.124 175.122 0.002 18224 11470 1 33 . 1 1 26 26 SER CA C 26 58.757 58.757 59.677 -0.920 18224 11471 1 33 . 1 1 26 26 SER CB C 26 63.812 63.812 64.853 -1.041 18224 11472 1 33 . 1 1 26 26 SER H H 26 7.796 7.796 8.061 -0.265 18224 11473 1 33 . 1 1 27 27 SER N N 27 116.655 116.655 113.041 3.614 18224 11474 1 33 . 1 1 27 27 SER HA H 27 4.386 4.386 4.576 -0.190 18224 11475 1 33 . 1 1 27 27 SER C C 27 175.505 175.505 174.150 1.355 18224 11476 1 33 . 1 1 27 27 SER CA C 27 59.611 59.611 58.995 0.616 18224 11477 1 33 . 1 1 27 27 SER CB C 27 64.117 64.117 64.684 -0.567 18224 11478 1 33 . 1 1 27 27 SER H H 27 8.046 8.046 7.967 0.079 18224 11479 1 33 . 1 1 28 28 GLY N N 28 111.049 111.049 109.944 1.105 18224 11480 1 33 . 1 1 28 28 GLY C C 28 174.495 174.495 174.001 0.494 18224 11481 1 33 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.722 0.399 18224 11482 1 33 . 1 1 28 28 GLY H H 28 8.304 8.304 8.025 0.279 18224 11483 1 33 . 1 1 29 29 ALA N N 29 121.693 121.693 120.209 1.484 18224 11484 1 33 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.993 0.356 18224 11485 1 33 . 1 1 29 29 ALA C C 29 177.695 177.695 176.331 1.364 18224 11486 1 33 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.257 -0.146 18224 11487 1 33 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.517 1.447 18224 11488 1 33 . 1 1 29 29 ALA H H 29 7.941 7.941 7.764 0.177 18224 11489 1 33 . 1 1 30 30 LEU N N 30 117.996 117.996 117.819 0.177 18224 11490 1 33 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.495 -0.313 18224 11491 1 33 . 1 1 30 30 LEU C C 30 177.484 177.484 175.254 2.230 18224 11492 1 33 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.807 3.163 18224 11493 1 33 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.937 0.485 18224 11494 1 33 . 1 1 30 30 LEU H H 30 7.968 7.968 7.687 0.281 18224 11495 1 33 . 1 1 31 31 ILE N N 31 117.106 117.106 117.588 -0.482 18224 11496 1 33 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.231 -0.292 18224 11497 1 33 . 1 1 31 31 ILE C C 31 174.998 174.998 174.828 0.170 18224 11498 1 33 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.627 3.295 18224 11499 1 33 . 1 1 31 31 ILE CB C 31 35.108 35.108 37.325 -2.217 18224 11500 1 33 . 1 1 31 31 ILE H H 31 8.027 8.027 8.025 0.002 18224 11501 1 33 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.535 -0.251 18224 11502 1 33 . 1 1 32 32 PRO C C 32 178.663 178.663 178.009 0.654 18224 11503 1 33 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.321 0.672 18224 11504 1 33 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.132 -0.076 18224 11505 1 33 . 1 1 33 33 ALA N N 33 119.031 119.031 118.194 0.837 18224 11506 1 33 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.228 -0.062 18224 11507 1 33 . 1 1 33 33 ALA C C 33 178.942 178.942 179.694 -0.752 18224 11508 1 33 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.483 1.057 18224 11509 1 33 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.324 0.161 18224 11510 1 33 . 1 1 33 33 ALA H H 33 7.580 7.580 8.469 -0.889 18224 11511 1 33 . 1 1 34 34 ILE N N 34 117.923 117.923 118.109 -0.186 18224 11512 1 33 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.816 -0.117 18224 11513 1 33 . 1 1 34 34 ILE C C 34 177.833 177.833 177.321 0.512 18224 11514 1 33 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.780 1.332 18224 11515 1 33 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.249 -0.898 18224 11516 1 33 . 1 1 34 34 ILE H H 34 8.234 8.234 7.393 0.841 18224 11517 1 33 . 1 1 35 35 TYR N N 35 118.746 118.746 119.404 -0.658 18224 11518 1 33 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.210 -0.095 18224 11519 1 33 . 1 1 35 35 TYR C C 35 178.044 178.044 178.057 -0.013 18224 11520 1 33 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.022 -0.264 18224 11521 1 33 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.726 -0.711 18224 11522 1 33 . 1 1 35 35 TYR H H 35 8.355 8.355 7.313 1.042 18224 11523 1 33 . 1 1 36 36 MET N N 36 117.813 117.813 118.624 -0.811 18224 11524 1 33 . 1 1 36 36 MET HA H 36 4.281 4.281 4.368 -0.087 18224 11525 1 33 . 1 1 36 36 MET C C 36 178.139 178.139 178.461 -0.322 18224 11526 1 33 . 1 1 36 36 MET CA C 36 58.482 58.482 58.711 -0.229 18224 11527 1 33 . 1 1 36 36 MET CB C 36 31.716 31.716 32.388 -0.672 18224 11528 1 33 . 1 1 36 36 MET H H 36 8.107 8.107 8.119 -0.012 18224 11529 1 33 . 1 1 37 37 LEU N N 37 120.311 120.311 121.236 -0.925 18224 11530 1 33 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.184 -0.109 18224 11531 1 33 . 1 1 37 37 LEU C C 37 178.399 178.399 177.216 1.183 18224 11532 1 33 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.697 0.773 18224 11533 1 33 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.942 0.011 18224 11534 1 33 . 1 1 37 37 LEU H H 37 8.229 8.229 7.906 0.323 18224 11535 1 33 . 1 1 38 38 VAL N N 38 118.080 118.080 115.580 2.500 18224 11536 1 33 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.081 -0.556 18224 11537 1 33 . 1 1 38 38 VAL C C 38 178.139 178.139 176.527 1.612 18224 11538 1 33 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.292 3.860 18224 11539 1 33 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.048 -0.598 18224 11540 1 33 . 1 1 38 38 VAL H H 38 8.363 8.363 7.413 0.950 18224 11541 1 33 . 1 1 39 39 PHE N N 39 120.151 120.151 121.300 -1.149 18224 11542 1 33 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.569 -0.346 18224 11543 1 33 . 1 1 39 39 PHE C C 39 178.544 178.544 175.138 3.406 18224 11544 1 33 . 1 1 39 39 PHE CA C 39 61.326 61.326 59.512 1.814 18224 11545 1 33 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.947 -1.031 18224 11546 1 33 . 1 1 39 39 PHE H H 39 8.306 8.306 8.239 0.067 18224 11547 1 33 . 1 1 40 40 LEU N N 40 121.004 121.004 115.625 5.379 18224 11548 1 33 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.469 -0.446 18224 11549 1 33 . 1 1 40 40 LEU C C 40 179.704 179.704 177.347 2.357 18224 11550 1 33 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.274 2.664 18224 11551 1 33 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.503 0.789 18224 11552 1 33 . 1 1 40 40 LEU H H 40 8.567 8.567 7.287 1.280 18224 11553 1 33 . 1 1 41 41 LEU N N 41 119.593 119.593 121.171 -1.578 18224 11554 1 33 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.036 0.025 18224 11555 1 33 . 1 1 41 41 LEU C C 41 178.966 178.966 177.692 1.274 18224 11556 1 33 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.087 0.609 18224 11557 1 33 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.150 -0.358 18224 11558 1 33 . 1 1 41 41 LEU H H 41 8.503 8.503 7.947 0.556 18224 11559 1 33 . 1 1 42 42 GLY N N 42 105.838 105.838 102.507 3.331 18224 11560 1 33 . 1 1 42 42 GLY C C 42 175.587 175.587 173.980 1.607 18224 11561 1 33 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.030 1.540 18224 11562 1 33 . 1 1 42 42 GLY H H 42 8.355 8.355 7.964 0.391 18224 11563 1 33 . 1 1 43 43 THR N N 43 112.333 112.333 113.618 -1.285 18224 11564 1 33 . 1 1 43 43 THR HA H 43 4.290 4.290 4.532 -0.242 18224 11565 1 33 . 1 1 43 43 THR C C 43 175.765 175.765 176.411 -0.646 18224 11566 1 33 . 1 1 43 43 THR CA C 43 63.680 63.680 61.145 2.535 18224 11567 1 33 . 1 1 43 43 THR CB C 43 69.626 69.626 69.809 -0.183 18224 11568 1 33 . 1 1 43 43 THR H H 43 7.895 7.895 7.363 0.532 18224 11569 1 33 . 1 1 44 44 THR N N 44 112.041 112.041 116.285 -4.244 18224 11570 1 33 . 1 1 44 44 THR HA H 44 4.388 4.388 3.909 0.479 18224 11571 1 33 . 1 1 44 44 THR C C 44 175.555 175.555 175.770 -0.215 18224 11572 1 33 . 1 1 44 44 THR CA C 44 62.732 62.732 64.457 -1.725 18224 11573 1 33 . 1 1 44 44 THR CB C 44 70.240 70.240 68.720 1.520 18224 11574 1 33 . 1 1 44 44 THR H H 44 7.684 7.684 8.082 -0.398 18224 11575 1 33 . 1 1 45 45 GLY N N 45 109.756 109.756 108.620 1.136 18224 11576 1 33 . 1 1 45 45 GLY C C 45 174.948 174.948 173.595 1.353 18224 11577 1 33 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.771 1.581 18224 11578 1 33 . 1 1 45 45 GLY H H 45 8.058 8.058 8.226 -0.168 18224 11579 1 33 . 1 1 46 46 ASN N N 46 117.561 117.561 119.791 -2.230 18224 11580 1 33 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.401 0.444 18224 11581 1 33 . 1 1 46 46 ASN C C 46 175.853 175.853 174.710 1.143 18224 11582 1 33 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.999 0.093 18224 11583 1 33 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.191 1.322 18224 11584 1 33 . 1 1 46 46 ASN H H 46 8.202 8.202 8.553 -0.351 18224 11585 1 33 . 1 1 47 47 GLY N N 47 108.715 108.715 107.546 1.169 18224 11586 1 33 . 1 1 47 47 GLY C C 47 174.431 174.431 173.473 0.958 18224 11587 1 33 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.374 1.787 18224 11588 1 33 . 1 1 47 47 GLY H H 47 8.600 8.600 8.182 0.418 18224 11589 1 33 . 1 1 48 48 LEU N N 48 120.089 120.089 121.885 -1.796 18224 11590 1 33 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.927 -0.608 18224 11591 1 33 . 1 1 48 48 LEU C C 48 179.243 179.243 177.267 1.976 18224 11592 1 33 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.064 2.252 18224 11593 1 33 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.990 -1.152 18224 11594 1 33 . 1 1 48 48 LEU H H 48 8.003 8.003 7.901 0.102 18224 11595 1 33 . 1 1 49 49 VAL N N 49 120.573 120.573 120.083 0.490 18224 11596 1 33 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.926 -0.105 18224 11597 1 33 . 1 1 49 49 VAL C C 49 177.520 177.520 176.640 0.880 18224 11598 1 33 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.660 0.402 18224 11599 1 33 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.545 -0.057 18224 11600 1 33 . 1 1 49 49 VAL H H 49 7.910 7.910 7.957 -0.047 18224 11601 1 33 . 1 1 50 50 LEU N N 50 119.718 119.718 117.691 2.027 18224 11602 1 33 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.441 -0.414 18224 11603 1 33 . 1 1 50 50 LEU C C 50 178.169 178.169 178.464 -0.295 18224 11604 1 33 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.134 0.918 18224 11605 1 33 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.199 1.542 18224 11606 1 33 . 1 1 50 50 LEU H H 50 7.860 7.860 8.090 -0.230 18224 11607 1 33 . 1 1 51 51 TRP N N 51 118.071 118.071 121.388 -3.317 18224 11608 1 33 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.495 0.047 18224 11609 1 33 . 1 1 51 51 TRP C C 51 177.296 177.296 177.432 -0.136 18224 11610 1 33 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.798 -0.881 18224 11611 1 33 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.921 1.054 18224 11612 1 33 . 1 1 51 51 TRP H H 51 8.109 8.109 8.214 -0.105 18224 11613 1 33 . 1 1 52 52 THR N N 52 113.243 113.243 116.433 -3.190 18224 11614 1 33 . 1 1 52 52 THR HA H 52 3.773 3.773 3.455 0.318 18224 11615 1 33 . 1 1 52 52 THR C C 52 176.402 176.402 176.196 0.206 18224 11616 1 33 . 1 1 52 52 THR CA C 52 66.690 66.690 66.937 -0.247 18224 11617 1 33 . 1 1 52 52 THR CB C 52 68.921 68.921 68.450 0.471 18224 11618 1 33 . 1 1 52 52 THR H H 52 8.072 8.072 7.701 0.371 18224 11619 1 33 . 1 1 53 53 VAL N N 53 120.307 120.307 121.489 -1.182 18224 11620 1 33 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.599 0.064 18224 11621 1 33 . 1 1 53 53 VAL C C 53 177.362 177.362 177.324 0.038 18224 11622 1 33 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.452 -0.160 18224 11623 1 33 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.293 0.424 18224 11624 1 33 . 1 1 53 53 VAL H H 53 8.006 8.006 7.370 0.636 18224 11625 1 33 . 1 1 54 54 PHE N N 54 119.041 119.041 118.755 0.286 18224 11626 1 33 . 1 1 54 54 PHE HA H 54 4.228 4.228 3.994 0.234 18224 11627 1 33 . 1 1 54 54 PHE C C 54 177.476 177.476 176.796 0.680 18224 11628 1 33 . 1 1 54 54 PHE CA C 54 60.892 60.892 61.809 -0.917 18224 11629 1 33 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.008 -0.412 18224 11630 1 33 . 1 1 54 54 PHE H H 54 8.143 8.143 7.886 0.257 18224 11631 1 33 . 1 1 55 55 ARG N N 55 117.543 117.543 117.527 0.016 18224 11632 1 33 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.903 -0.040 18224 11633 1 33 . 1 1 55 55 ARG C C 55 177.832 177.832 178.413 -0.581 18224 11634 1 33 . 1 1 55 55 ARG CA C 55 57.706 57.706 58.268 -0.562 18224 11635 1 33 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.651 -0.175 18224 11636 1 33 . 1 1 55 55 ARG H H 55 8.112 8.112 7.178 0.934 18224 11637 1 33 . 1 1 56 56 LYS N N 56 118.390 118.390 120.883 -2.493 18224 11638 1 33 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.952 0.211 18224 11639 1 33 . 1 1 56 56 LYS C C 56 177.400 177.400 179.314 -1.914 18224 11640 1 33 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.889 -1.179 18224 11641 1 33 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.206 0.573 18224 11642 1 33 . 1 1 56 56 LYS H H 56 7.789 7.789 8.165 -0.376 18224 11643 1 33 . 1 1 57 57 LYS N N 57 118.190 118.190 118.669 -0.479 18224 11644 1 33 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.191 0.068 18224 11645 1 33 . 1 1 57 57 LYS C C 57 176.791 176.791 177.337 -0.546 18224 11646 1 33 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.538 -0.113 18224 11647 1 33 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.435 2.388 18224 11648 1 33 . 1 1 57 57 LYS H H 57 7.821 7.821 7.547 0.274 18224 11649 1 33 . 1 1 58 58 GLY N N 58 107.289 107.289 108.279 -0.990 18224 11650 1 33 . 1 1 58 58 GLY C C 58 173.607 173.607 175.784 -2.177 18224 11651 1 33 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.658 -1.184 18224 11652 1 33 . 1 1 58 58 GLY H H 58 7.927 7.927 8.309 -0.382 18224 11653 1 33 . 1 1 59 59 HIS N N 59 116.847 116.847 118.695 -1.848 18224 11654 1 33 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.302 0.391 18224 11655 1 33 . 1 1 59 59 HIS C C 59 174.153 174.153 175.201 -1.048 18224 11656 1 33 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.933 -1.775 18224 11657 1 33 . 1 1 59 59 HIS CB C 59 28.915 28.915 29.957 -1.042 18224 11658 1 33 . 1 1 59 59 HIS H H 59 8.120 8.120 7.537 0.583 18224 11659 1 33 . 1 1 60 60 HIS N N 60 118.028 118.028 116.493 1.535 18224 11660 1 33 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.152 0.540 18224 11661 1 33 . 1 1 60 60 HIS C C 60 173.987 173.987 173.747 0.240 18224 11662 1 33 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.563 -1.056 18224 11663 1 33 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.022 -0.197 18224 11664 1 33 . 1 1 60 60 HIS H H 60 8.328 8.328 8.449 -0.121 18224 11665 1 33 . 1 1 61 61 HIS N N 61 118.101 118.101 113.057 5.044 18224 11666 1 33 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.071 0.619 18224 11667 1 33 . 1 1 61 61 HIS C C 61 174.032 174.032 174.907 -0.875 18224 11668 1 33 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.511 0.207 18224 11669 1 33 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.011 -1.115 18224 11670 1 33 . 1 1 61 61 HIS H H 61 8.351 8.351 8.079 0.272 18224 11671 1 33 . 1 1 62 62 HIS N N 62 118.704 118.704 119.208 -0.504 18224 11672 1 33 . 1 1 62 62 HIS HA H 62 4.701 4.701 3.717 0.984 18224 11673 1 33 . 1 1 62 62 HIS C C 62 173.803 173.803 174.922 -1.119 18224 11674 1 33 . 1 1 62 62 HIS CA C 62 55.604 55.604 57.603 -1.999 18224 11675 1 33 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.535 -0.372 18224 11676 1 33 . 1 1 62 62 HIS H H 62 8.381 8.381 8.105 0.276 18224 11677 1 33 . 1 1 63 63 HIS N N 63 118.853 118.853 115.177 3.676 18224 11678 1 33 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.238 0.443 18224 11679 1 33 . 1 1 63 63 HIS C C 63 173.576 173.576 174.603 -1.027 18224 11680 1 33 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.041 0.658 18224 11681 1 33 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.211 -0.078 18224 11682 1 33 . 1 1 63 63 HIS H H 63 8.299 8.299 7.638 0.661 18224 11683 1 34 . 1 1 2 2 GLU N N 2 122.762 122.762 122.333 0.429 18224 11684 1 34 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.027 0.411 18224 11685 1 34 . 1 1 2 2 GLU C C 2 175.581 175.581 176.005 -0.424 18224 11686 1 34 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.600 -0.240 18224 11687 1 34 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.265 0.317 18224 11688 1 34 . 1 1 2 2 GLU H H 2 8.628 8.628 8.499 0.129 18224 11689 1 34 . 1 1 3 3 GLU N N 3 121.071 121.071 122.518 -1.447 18224 11690 1 34 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.322 0.059 18224 11691 1 34 . 1 1 3 3 GLU C C 3 176.457 176.457 176.310 0.147 18224 11692 1 34 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.511 -0.163 18224 11693 1 34 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.057 1.142 18224 11694 1 34 . 1 1 3 3 GLU H H 3 8.393 8.393 8.520 -0.127 18224 11695 1 34 . 1 1 4 4 GLY N N 4 109.717 109.717 108.120 1.597 18224 11696 1 34 . 1 1 4 4 GLY C C 4 174.677 174.677 174.580 0.097 18224 11697 1 34 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.998 0.643 18224 11698 1 34 . 1 1 4 4 GLY H H 4 8.377 8.377 7.723 0.654 18224 11699 1 34 . 1 1 5 5 GLY N N 5 108.373 108.373 110.131 -1.758 18224 11700 1 34 . 1 1 5 5 GLY C C 5 174.047 174.047 173.368 0.679 18224 11701 1 34 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.721 0.850 18224 11702 1 34 . 1 1 5 5 GLY H H 5 8.115 8.115 8.165 -0.050 18224 11703 1 34 . 1 1 6 6 ASP N N 6 118.996 118.996 120.099 -1.103 18224 11704 1 34 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.783 -0.134 18224 11705 1 34 . 1 1 6 6 ASP C C 6 175.903 175.903 175.052 0.851 18224 11706 1 34 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.530 0.515 18224 11707 1 34 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.435 -3.091 18224 11708 1 34 . 1 1 6 6 ASP H H 6 8.166 8.166 8.280 -0.114 18224 11709 1 34 . 1 1 7 7 PHE N N 7 119.750 119.750 122.468 -2.718 18224 11710 1 34 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.556 -0.006 18224 11711 1 34 . 1 1 7 7 PHE C C 7 175.919 175.919 174.769 1.150 18224 11712 1 34 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.172 0.760 18224 11713 1 34 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.756 -0.576 18224 11714 1 34 . 1 1 7 7 PHE H H 7 8.151 8.151 8.548 -0.397 18224 11715 1 34 . 1 1 8 8 ASP N N 8 118.526 118.526 125.300 -6.774 18224 11716 1 34 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.734 -0.236 18224 11717 1 34 . 1 1 8 8 ASP C C 8 175.787 175.787 174.437 1.350 18224 11718 1 34 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.492 0.142 18224 11719 1 34 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.192 -1.989 18224 11720 1 34 . 1 1 8 8 ASP H H 8 8.161 8.161 8.315 -0.154 18224 11721 1 34 . 1 1 9 9 ASN N N 9 117.291 117.291 117.280 0.011 18224 11722 1 34 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.802 -0.231 18224 11723 1 34 . 1 1 9 9 ASN C C 9 175.142 175.142 174.428 0.714 18224 11724 1 34 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.822 1.112 18224 11725 1 34 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.945 -0.153 18224 11726 1 34 . 1 1 9 9 ASN H H 9 8.013 8.013 7.697 0.316 18224 11727 1 34 . 1 1 10 10 TYR N N 10 119.112 119.112 120.635 -1.523 18224 11728 1 34 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.229 0.217 18224 11729 1 34 . 1 1 10 10 TYR C C 10 175.513 175.513 176.415 -0.902 18224 11730 1 34 . 1 1 10 10 TYR CA C 10 58.974 58.974 59.684 -0.710 18224 11731 1 34 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.956 0.927 18224 11732 1 34 . 1 1 10 10 TYR H H 10 7.848 7.848 7.878 -0.030 18224 11733 1 34 . 1 1 11 11 TYR N N 11 119.438 119.438 118.749 0.689 18224 11734 1 34 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.463 0.044 18224 11735 1 34 . 1 1 11 11 TYR C C 11 175.939 175.939 175.812 0.127 18224 11736 1 34 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.518 -0.221 18224 11737 1 34 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.752 0.215 18224 11738 1 34 . 1 1 11 11 TYR H H 11 7.849 7.849 7.565 0.284 18224 11739 1 34 . 1 1 12 12 GLY N N 12 109.685 109.685 110.580 -0.895 18224 11740 1 34 . 1 1 12 12 GLY C C 12 174.099 174.099 174.018 0.081 18224 11741 1 34 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.237 0.308 18224 11742 1 34 . 1 1 12 12 GLY H H 12 7.792 7.792 8.324 -0.532 18224 11743 1 34 . 1 1 13 13 ALA N N 13 123.072 123.072 128.405 -5.333 18224 11744 1 34 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.530 -0.255 18224 11745 1 34 . 1 1 13 13 ALA C C 13 177.669 177.669 177.009 0.660 18224 11746 1 34 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.984 0.986 18224 11747 1 34 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.242 1.048 18224 11748 1 34 . 1 1 13 13 ALA H H 13 7.880 7.880 8.539 -0.659 18224 11749 1 34 . 1 1 14 14 ASP N N 14 117.540 117.540 122.289 -4.749 18224 11750 1 34 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.734 -0.085 18224 11751 1 34 . 1 1 14 14 ASP C C 14 175.649 175.649 175.360 0.289 18224 11752 1 34 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.564 -0.600 18224 11753 1 34 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.156 0.527 18224 11754 1 34 . 1 1 14 14 ASP H H 14 8.281 8.281 8.462 -0.181 18224 11755 1 34 . 1 1 15 15 ASN N N 15 118.400 118.400 119.048 -0.648 18224 11756 1 34 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.869 -0.183 18224 11757 1 34 . 1 1 15 15 ASN C C 15 175.351 175.351 174.379 0.972 18224 11758 1 34 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.209 0.399 18224 11759 1 34 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.994 -1.052 18224 11760 1 34 . 1 1 15 15 ASN H H 15 8.137 8.137 7.770 0.367 18224 11761 1 34 . 1 1 16 16 GLN N N 16 120.072 120.072 118.453 1.619 18224 11762 1 34 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.027 0.333 18224 11763 1 34 . 1 1 16 16 GLN C C 16 176.206 176.206 174.700 1.506 18224 11764 1 34 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.853 -0.451 18224 11765 1 34 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.421 2.748 18224 11766 1 34 . 1 1 16 16 GLN H H 16 8.284 8.284 8.498 -0.214 18224 11767 1 34 . 1 1 17 17 SER N N 17 116.112 116.112 113.880 2.232 18224 11768 1 34 . 1 1 17 17 SER HA H 17 4.440 4.440 4.579 -0.139 18224 11769 1 34 . 1 1 17 17 SER C C 17 174.568 174.568 173.389 1.179 18224 11770 1 34 . 1 1 17 17 SER CA C 17 58.911 58.911 57.249 1.661 18224 11771 1 34 . 1 1 17 17 SER CB C 17 63.897 63.897 65.694 -1.797 18224 11772 1 34 . 1 1 17 17 SER H H 17 8.211 8.211 7.970 0.241 18224 11773 1 34 . 1 1 18 18 GLU N N 18 121.378 121.378 124.823 -3.445 18224 11774 1 34 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.247 0.132 18224 11775 1 34 . 1 1 18 18 GLU C C 18 175.934 175.934 175.839 0.095 18224 11776 1 34 . 1 1 18 18 GLU CA C 18 56.406 56.406 57.040 -0.634 18224 11777 1 34 . 1 1 18 18 GLU CB C 18 29.133 29.133 28.507 0.626 18224 11778 1 34 . 1 1 18 18 GLU H H 18 8.262 8.262 8.754 -0.492 18224 11779 1 34 . 1 1 19 19 CYS N N 19 119.418 119.418 122.520 -3.102 18224 11780 1 34 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.827 -0.383 18224 11781 1 34 . 1 1 19 19 CYS C C 19 174.568 174.568 173.976 0.592 18224 11782 1 34 . 1 1 19 19 CYS CA C 19 58.839 58.839 56.849 1.990 18224 11783 1 34 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.314 -2.341 18224 11784 1 34 . 1 1 19 19 CYS H H 19 8.182 8.182 8.064 0.118 18224 11785 1 34 . 1 1 20 20 GLU N N 20 122.737 122.737 116.950 5.787 18224 11786 1 34 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.003 0.304 18224 11787 1 34 . 1 1 20 20 GLU C C 20 176.083 176.083 175.059 1.024 18224 11788 1 34 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.890 -1.350 18224 11789 1 34 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.747 0.119 18224 11790 1 34 . 1 1 20 20 GLU H H 20 8.303 8.303 8.696 -0.393 18224 11791 1 34 . 1 1 21 21 TYR N N 21 119.549 119.549 112.208 7.341 18224 11792 1 34 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.262 0.212 18224 11793 1 34 . 1 1 21 21 TYR C C 21 175.826 175.826 173.943 1.883 18224 11794 1 34 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.603 0.068 18224 11795 1 34 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.011 0.578 18224 11796 1 34 . 1 1 21 21 TYR H H 21 7.888 7.888 7.957 -0.069 18224 11797 1 34 . 1 1 22 22 THR N N 22 112.218 112.218 112.909 -0.691 18224 11798 1 34 . 1 1 22 22 THR HA H 22 4.163 4.163 3.090 1.073 18224 11799 1 34 . 1 1 22 22 THR C C 22 174.737 174.737 173.559 1.178 18224 11800 1 34 . 1 1 22 22 THR CA C 22 62.778 62.778 62.931 -0.153 18224 11801 1 34 . 1 1 22 22 THR CB C 22 69.531 69.531 68.730 0.801 18224 11802 1 34 . 1 1 22 22 THR H H 22 7.683 7.683 7.254 0.429 18224 11803 1 34 . 1 1 23 23 ASP N N 23 121.090 121.090 117.471 3.619 18224 11804 1 34 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.488 0.223 18224 11805 1 34 . 1 1 23 23 ASP C C 23 176.279 176.279 176.207 0.072 18224 11806 1 34 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.936 1.174 18224 11807 1 34 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.405 -1.067 18224 11808 1 34 . 1 1 23 23 ASP H H 23 8.059 8.059 7.680 0.379 18224 11809 1 34 . 1 1 24 24 TRP N N 24 121.546 121.546 118.978 2.568 18224 11810 1 34 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.389 0.097 18224 11811 1 34 . 1 1 24 24 TRP C C 24 177.051 177.051 177.711 -0.660 18224 11812 1 34 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.953 0.875 18224 11813 1 34 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.029 1.039 18224 11814 1 34 . 1 1 24 24 TRP H H 24 7.888 7.888 7.011 0.877 18224 11815 1 34 . 1 1 25 25 LYS N N 25 120.106 120.106 119.840 0.266 18224 11816 1 34 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.193 -0.203 18224 11817 1 34 . 1 1 25 25 LYS C C 25 176.764 176.764 177.379 -0.615 18224 11818 1 34 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.122 0.600 18224 11819 1 34 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.348 -0.047 18224 11820 1 34 . 1 1 25 25 LYS H H 25 7.620 7.620 8.109 -0.489 18224 11821 1 34 . 1 1 26 26 SER N N 26 114.114 114.114 114.531 -0.417 18224 11822 1 34 . 1 1 26 26 SER HA H 26 4.471 4.471 4.416 0.055 18224 11823 1 34 . 1 1 26 26 SER C C 26 175.124 175.124 173.686 1.438 18224 11824 1 34 . 1 1 26 26 SER CA C 26 58.757 58.757 59.333 -0.576 18224 11825 1 34 . 1 1 26 26 SER CB C 26 63.812 63.812 63.147 0.665 18224 11826 1 34 . 1 1 26 26 SER H H 26 7.796 7.796 8.501 -0.705 18224 11827 1 34 . 1 1 27 27 SER N N 27 116.655 116.655 113.112 3.543 18224 11828 1 34 . 1 1 27 27 SER HA H 27 4.386 4.386 4.537 -0.151 18224 11829 1 34 . 1 1 27 27 SER C C 27 175.505 175.505 174.810 0.695 18224 11830 1 34 . 1 1 27 27 SER CA C 27 59.611 59.611 59.004 0.607 18224 11831 1 34 . 1 1 27 27 SER CB C 27 64.117 64.117 64.737 -0.620 18224 11832 1 34 . 1 1 27 27 SER H H 27 8.046 8.046 8.098 -0.052 18224 11833 1 34 . 1 1 28 28 GLY N N 28 111.049 111.049 110.104 0.945 18224 11834 1 34 . 1 1 28 28 GLY C C 28 174.495 174.495 174.016 0.479 18224 11835 1 34 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.201 0.920 18224 11836 1 34 . 1 1 28 28 GLY H H 28 8.304 8.304 8.022 0.282 18224 11837 1 34 . 1 1 29 29 ALA N N 29 121.693 121.693 120.217 1.476 18224 11838 1 34 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.138 0.211 18224 11839 1 34 . 1 1 29 29 ALA C C 29 177.695 177.695 177.043 0.652 18224 11840 1 34 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.754 0.357 18224 11841 1 34 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.580 1.384 18224 11842 1 34 . 1 1 29 29 ALA H H 29 7.941 7.941 7.798 0.143 18224 11843 1 34 . 1 1 30 30 LEU N N 30 117.996 117.996 122.887 -4.891 18224 11844 1 34 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.520 -0.338 18224 11845 1 34 . 1 1 30 30 LEU C C 30 177.484 177.484 176.439 1.045 18224 11846 1 34 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.854 3.116 18224 11847 1 34 . 1 1 30 30 LEU CB C 30 42.422 42.422 41.378 1.044 18224 11848 1 34 . 1 1 30 30 LEU H H 30 7.968 7.968 8.542 -0.574 18224 11849 1 34 . 1 1 31 31 ILE N N 31 117.106 117.106 118.197 -1.091 18224 11850 1 34 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.167 -0.228 18224 11851 1 34 . 1 1 31 31 ILE C C 31 174.998 174.998 174.639 0.359 18224 11852 1 34 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.523 3.400 18224 11853 1 34 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.578 -1.470 18224 11854 1 34 . 1 1 31 31 ILE H H 31 8.027 8.027 7.711 0.316 18224 11855 1 34 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.657 -0.373 18224 11856 1 34 . 1 1 32 32 PRO C C 32 178.663 178.663 177.761 0.902 18224 11857 1 34 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.981 1.012 18224 11858 1 34 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.089 -0.033 18224 11859 1 34 . 1 1 33 33 ALA N N 33 119.031 119.031 119.936 -0.905 18224 11860 1 34 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.340 -0.174 18224 11861 1 34 . 1 1 33 33 ALA C C 33 178.942 178.942 179.632 -0.690 18224 11862 1 34 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.494 1.046 18224 11863 1 34 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.498 -0.013 18224 11864 1 34 . 1 1 33 33 ALA H H 33 7.580 7.580 8.385 -0.805 18224 11865 1 34 . 1 1 34 34 ILE N N 34 117.923 117.923 118.718 -0.795 18224 11866 1 34 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.807 -0.108 18224 11867 1 34 . 1 1 34 34 ILE C C 34 177.833 177.833 177.118 0.715 18224 11868 1 34 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.916 1.196 18224 11869 1 34 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.079 -0.728 18224 11870 1 34 . 1 1 34 34 ILE H H 34 8.234 8.234 7.472 0.762 18224 11871 1 34 . 1 1 35 35 TYR N N 35 118.746 118.746 119.064 -0.318 18224 11872 1 34 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.142 -0.027 18224 11873 1 34 . 1 1 35 35 TYR C C 35 178.044 178.044 178.401 -0.357 18224 11874 1 34 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.895 -0.137 18224 11875 1 34 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.409 -0.394 18224 11876 1 34 . 1 1 35 35 TYR H H 35 8.355 8.355 7.426 0.929 18224 11877 1 34 . 1 1 36 36 MET N N 36 117.813 117.813 117.490 0.323 18224 11878 1 34 . 1 1 36 36 MET HA H 36 4.281 4.281 4.161 0.120 18224 11879 1 34 . 1 1 36 36 MET C C 36 178.139 178.139 177.816 0.323 18224 11880 1 34 . 1 1 36 36 MET CA C 36 58.482 58.482 59.120 -0.638 18224 11881 1 34 . 1 1 36 36 MET CB C 36 31.716 31.716 32.520 -0.804 18224 11882 1 34 . 1 1 36 36 MET H H 36 8.107 8.107 7.763 0.344 18224 11883 1 34 . 1 1 37 37 LEU N N 37 120.311 120.311 119.323 0.988 18224 11884 1 34 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.141 -0.066 18224 11885 1 34 . 1 1 37 37 LEU C C 37 178.399 178.399 178.020 0.379 18224 11886 1 34 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.987 0.483 18224 11887 1 34 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.686 0.267 18224 11888 1 34 . 1 1 37 37 LEU H H 37 8.229 8.229 7.900 0.329 18224 11889 1 34 . 1 1 38 38 VAL N N 38 118.080 118.080 116.860 1.220 18224 11890 1 34 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.097 -0.572 18224 11891 1 34 . 1 1 38 38 VAL C C 38 178.139 178.139 176.613 1.526 18224 11892 1 34 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.482 3.670 18224 11893 1 34 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.982 -1.532 18224 11894 1 34 . 1 1 38 38 VAL H H 38 8.363 8.363 7.529 0.834 18224 11895 1 34 . 1 1 39 39 PHE N N 39 120.151 120.151 120.845 -0.694 18224 11896 1 34 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.586 -0.363 18224 11897 1 34 . 1 1 39 39 PHE C C 39 178.544 178.544 175.883 2.661 18224 11898 1 34 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.881 0.445 18224 11899 1 34 . 1 1 39 39 PHE CB C 39 38.916 38.916 41.880 -2.964 18224 11900 1 34 . 1 1 39 39 PHE H H 39 8.306 8.306 8.268 0.038 18224 11901 1 34 . 1 1 40 40 LEU N N 40 121.004 121.004 118.463 2.541 18224 11902 1 34 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.787 -0.764 18224 11903 1 34 . 1 1 40 40 LEU C C 40 179.704 179.704 178.059 1.645 18224 11904 1 34 . 1 1 40 40 LEU CA C 40 57.938 57.938 56.422 1.516 18224 11905 1 34 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.662 0.630 18224 11906 1 34 . 1 1 40 40 LEU H H 40 8.567 8.567 8.660 -0.093 18224 11907 1 34 . 1 1 41 41 LEU N N 41 119.593 119.593 121.906 -2.313 18224 11908 1 34 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.010 0.051 18224 11909 1 34 . 1 1 41 41 LEU C C 41 178.966 178.966 177.573 1.393 18224 11910 1 34 . 1 1 41 41 LEU CA C 41 57.696 57.696 57.480 0.216 18224 11911 1 34 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.259 -0.467 18224 11912 1 34 . 1 1 41 41 LEU H H 41 8.503 8.503 7.850 0.653 18224 11913 1 34 . 1 1 42 42 GLY N N 42 105.838 105.838 101.919 3.919 18224 11914 1 34 . 1 1 42 42 GLY C C 42 175.587 175.587 173.518 2.069 18224 11915 1 34 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.297 1.273 18224 11916 1 34 . 1 1 42 42 GLY H H 42 8.355 8.355 8.013 0.342 18224 11917 1 34 . 1 1 43 43 THR N N 43 112.333 112.333 113.341 -1.008 18224 11918 1 34 . 1 1 43 43 THR HA H 43 4.290 4.290 4.438 -0.148 18224 11919 1 34 . 1 1 43 43 THR C C 43 175.765 175.765 174.650 1.115 18224 11920 1 34 . 1 1 43 43 THR CA C 43 63.680 63.680 61.730 1.950 18224 11921 1 34 . 1 1 43 43 THR CB C 43 69.626 69.626 69.605 0.021 18224 11922 1 34 . 1 1 43 43 THR H H 43 7.895 7.895 7.857 0.038 18224 11923 1 34 . 1 1 44 44 THR N N 44 112.041 112.041 117.816 -5.775 18224 11924 1 34 . 1 1 44 44 THR HA H 44 4.388 4.388 4.216 0.172 18224 11925 1 34 . 1 1 44 44 THR C C 44 175.555 175.555 176.097 -0.542 18224 11926 1 34 . 1 1 44 44 THR CA C 44 62.732 62.732 64.402 -1.670 18224 11927 1 34 . 1 1 44 44 THR CB C 44 70.240 70.240 69.414 0.826 18224 11928 1 34 . 1 1 44 44 THR H H 44 7.684 7.684 7.982 -0.298 18224 11929 1 34 . 1 1 45 45 GLY N N 45 109.756 109.756 110.384 -0.628 18224 11930 1 34 . 1 1 45 45 GLY C C 45 174.948 174.948 173.511 1.437 18224 11931 1 34 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.200 1.152 18224 11932 1 34 . 1 1 45 45 GLY H H 45 8.058 8.058 8.558 -0.500 18224 11933 1 34 . 1 1 46 46 ASN N N 46 117.561 117.561 117.752 -0.191 18224 11934 1 34 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.554 0.291 18224 11935 1 34 . 1 1 46 46 ASN C C 46 175.853 175.853 176.042 -0.189 18224 11936 1 34 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.534 0.558 18224 11937 1 34 . 1 1 46 46 ASN CB C 46 39.513 39.513 36.891 2.622 18224 11938 1 34 . 1 1 46 46 ASN H H 46 8.202 8.202 8.019 0.183 18224 11939 1 34 . 1 1 47 47 GLY N N 47 108.715 108.715 108.153 0.562 18224 11940 1 34 . 1 1 47 47 GLY C C 47 174.431 174.431 174.177 0.254 18224 11941 1 34 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.115 1.046 18224 11942 1 34 . 1 1 47 47 GLY H H 47 8.600 8.600 8.856 -0.256 18224 11943 1 34 . 1 1 48 48 LEU N N 48 120.089 120.089 119.660 0.429 18224 11944 1 34 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.408 -0.089 18224 11945 1 34 . 1 1 48 48 LEU C C 48 179.243 179.243 177.597 1.646 18224 11946 1 34 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.356 0.960 18224 11947 1 34 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.119 -0.281 18224 11948 1 34 . 1 1 48 48 LEU H H 48 8.003 8.003 7.736 0.267 18224 11949 1 34 . 1 1 49 49 VAL N N 49 120.573 120.573 119.325 1.248 18224 11950 1 34 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.907 -0.086 18224 11951 1 34 . 1 1 49 49 VAL C C 49 177.520 177.520 177.523 -0.003 18224 11952 1 34 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.851 0.211 18224 11953 1 34 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.205 0.283 18224 11954 1 34 . 1 1 49 49 VAL H H 49 7.910 7.910 8.268 -0.358 18224 11955 1 34 . 1 1 50 50 LEU N N 50 119.718 119.718 118.948 0.770 18224 11956 1 34 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.454 -0.427 18224 11957 1 34 . 1 1 50 50 LEU C C 50 178.169 178.169 178.213 -0.044 18224 11958 1 34 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.857 1.195 18224 11959 1 34 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.496 0.245 18224 11960 1 34 . 1 1 50 50 LEU H H 50 7.860 7.860 7.953 -0.093 18224 11961 1 34 . 1 1 51 51 TRP N N 51 118.071 118.071 122.451 -4.380 18224 11962 1 34 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.423 0.119 18224 11963 1 34 . 1 1 51 51 TRP C C 51 177.296 177.296 177.130 0.166 18224 11964 1 34 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.841 0.077 18224 11965 1 34 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.843 1.132 18224 11966 1 34 . 1 1 51 51 TRP H H 51 8.109 8.109 8.237 -0.128 18224 11967 1 34 . 1 1 52 52 THR N N 52 113.243 113.243 116.404 -3.161 18224 11968 1 34 . 1 1 52 52 THR HA H 52 3.773 3.773 3.514 0.259 18224 11969 1 34 . 1 1 52 52 THR C C 52 176.402 176.402 175.670 0.732 18224 11970 1 34 . 1 1 52 52 THR CA C 52 66.690 66.690 66.273 0.417 18224 11971 1 34 . 1 1 52 52 THR CB C 52 68.921 68.921 69.094 -0.173 18224 11972 1 34 . 1 1 52 52 THR H H 52 8.072 8.072 7.703 0.369 18224 11973 1 34 . 1 1 53 53 VAL N N 53 120.307 120.307 120.653 -0.346 18224 11974 1 34 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.666 -0.003 18224 11975 1 34 . 1 1 53 53 VAL C C 53 177.362 177.362 177.038 0.324 18224 11976 1 34 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.680 0.612 18224 11977 1 34 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.407 0.310 18224 11978 1 34 . 1 1 53 53 VAL H H 53 8.006 8.006 7.639 0.367 18224 11979 1 34 . 1 1 54 54 PHE N N 54 119.041 119.041 116.298 2.743 18224 11980 1 34 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.436 -0.208 18224 11981 1 34 . 1 1 54 54 PHE C C 54 177.476 177.476 175.182 2.294 18224 11982 1 34 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.770 2.122 18224 11983 1 34 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.194 -0.598 18224 11984 1 34 . 1 1 54 54 PHE H H 54 8.143 8.143 7.512 0.631 18224 11985 1 34 . 1 1 55 55 ARG N N 55 117.543 117.543 118.742 -1.199 18224 11986 1 34 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.185 -0.322 18224 11987 1 34 . 1 1 55 55 ARG C C 55 177.832 177.832 177.808 0.024 18224 11988 1 34 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.035 0.672 18224 11989 1 34 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.952 -1.476 18224 11990 1 34 . 1 1 55 55 ARG H H 55 8.112 8.112 7.505 0.607 18224 11991 1 34 . 1 1 56 56 LYS N N 56 118.390 118.390 118.719 -0.329 18224 11992 1 34 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.086 0.077 18224 11993 1 34 . 1 1 56 56 LYS C C 56 177.400 177.400 178.759 -1.359 18224 11994 1 34 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.591 -0.881 18224 11995 1 34 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.154 0.625 18224 11996 1 34 . 1 1 56 56 LYS H H 56 7.789 7.789 7.623 0.166 18224 11997 1 34 . 1 1 57 57 LYS N N 57 118.190 118.190 122.274 -4.084 18224 11998 1 34 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.393 -0.134 18224 11999 1 34 . 1 1 57 57 LYS C C 57 176.791 176.791 176.010 0.781 18224 12000 1 34 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.771 0.654 18224 12001 1 34 . 1 1 57 57 LYS CB C 57 32.823 32.823 31.116 1.707 18224 12002 1 34 . 1 1 57 57 LYS H H 57 7.821 7.821 7.630 0.191 18224 12003 1 34 . 1 1 58 58 GLY N N 58 107.289 107.289 109.228 -1.939 18224 12004 1 34 . 1 1 58 58 GLY C C 58 173.607 173.607 173.730 -0.123 18224 12005 1 34 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.077 0.397 18224 12006 1 34 . 1 1 58 58 GLY H H 58 7.927 7.927 8.176 -0.249 18224 12007 1 34 . 1 1 59 59 HIS N N 59 116.847 116.847 121.009 -4.162 18224 12008 1 34 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.610 0.083 18224 12009 1 34 . 1 1 59 59 HIS C C 59 174.153 174.153 175.153 -1.000 18224 12010 1 34 . 1 1 59 59 HIS CA C 59 55.158 55.158 55.930 -0.772 18224 12011 1 34 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.390 -2.475 18224 12012 1 34 . 1 1 59 59 HIS H H 59 8.120 8.120 8.003 0.117 18224 12013 1 34 . 1 1 60 60 HIS N N 60 118.028 118.028 119.170 -1.142 18224 12014 1 34 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.498 0.194 18224 12015 1 34 . 1 1 60 60 HIS C C 60 173.987 173.987 176.001 -2.014 18224 12016 1 34 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.635 -1.127 18224 12017 1 34 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.974 -1.149 18224 12018 1 34 . 1 1 60 60 HIS H H 60 8.328 8.328 8.641 -0.313 18224 12019 1 34 . 1 1 61 61 HIS N N 61 118.101 118.101 120.695 -2.594 18224 12020 1 34 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.726 -0.036 18224 12021 1 34 . 1 1 61 61 HIS C C 61 174.032 174.032 174.857 -0.825 18224 12022 1 34 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.502 0.216 18224 12023 1 34 . 1 1 61 61 HIS CB C 61 28.895 28.895 28.323 0.572 18224 12024 1 34 . 1 1 61 61 HIS H H 61 8.351 8.351 8.754 -0.403 18224 12025 1 34 . 1 1 62 62 HIS N N 62 118.704 118.704 124.806 -6.102 18224 12026 1 34 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.468 0.233 18224 12027 1 34 . 1 1 62 62 HIS C C 62 173.803 173.803 175.775 -1.972 18224 12028 1 34 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.433 -0.829 18224 12029 1 34 . 1 1 62 62 HIS CB C 62 29.163 29.163 28.706 0.457 18224 12030 1 34 . 1 1 62 62 HIS H H 62 8.381 8.381 8.635 -0.254 18224 12031 1 34 . 1 1 63 63 HIS N N 63 118.853 118.853 123.252 -4.399 18224 12032 1 34 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.562 0.119 18224 12033 1 34 . 1 1 63 63 HIS C C 63 173.576 173.576 176.138 -2.562 18224 12034 1 34 . 1 1 63 63 HIS CA C 63 55.698 55.698 55.352 0.346 18224 12035 1 34 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.231 -1.098 18224 12036 1 34 . 1 1 63 63 HIS H H 63 8.299 8.299 8.500 -0.201 18224 12037 1 35 . 1 1 2 2 GLU N N 2 122.762 122.762 122.548 0.214 18224 12038 1 35 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.523 -0.085 18224 12039 1 35 . 1 1 2 2 GLU C C 2 175.581 175.581 175.864 -0.283 18224 12040 1 35 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.623 -0.263 18224 12041 1 35 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.364 0.218 18224 12042 1 35 . 1 1 2 2 GLU H H 2 8.628 8.628 8.640 -0.012 18224 12043 1 35 . 1 1 3 3 GLU N N 3 121.071 121.071 125.239 -4.168 18224 12044 1 35 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.548 -0.167 18224 12045 1 35 . 1 1 3 3 GLU C C 3 176.457 176.457 176.526 -0.069 18224 12046 1 35 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.839 -0.491 18224 12047 1 35 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.376 -0.177 18224 12048 1 35 . 1 1 3 3 GLU H H 3 8.393 8.393 8.825 -0.432 18224 12049 1 35 . 1 1 4 4 GLY N N 4 109.717 109.717 110.019 -0.302 18224 12050 1 35 . 1 1 4 4 GLY C C 4 174.677 174.677 174.244 0.433 18224 12051 1 35 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.232 0.409 18224 12052 1 35 . 1 1 4 4 GLY H H 4 8.377 8.377 8.648 -0.271 18224 12053 1 35 . 1 1 5 5 GLY N N 5 108.373 108.373 110.154 -1.781 18224 12054 1 35 . 1 1 5 5 GLY C C 5 174.047 174.047 173.123 0.924 18224 12055 1 35 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.752 0.820 18224 12056 1 35 . 1 1 5 5 GLY H H 5 8.115 8.115 8.128 -0.013 18224 12057 1 35 . 1 1 6 6 ASP N N 6 118.996 118.996 119.475 -0.479 18224 12058 1 35 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.931 -0.282 18224 12059 1 35 . 1 1 6 6 ASP C C 6 175.903 175.903 176.067 -0.164 18224 12060 1 35 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.764 0.281 18224 12061 1 35 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.618 -3.274 18224 12062 1 35 . 1 1 6 6 ASP H H 6 8.166 8.166 8.296 -0.130 18224 12063 1 35 . 1 1 7 7 PHE N N 7 119.750 119.750 122.315 -2.565 18224 12064 1 35 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.304 0.246 18224 12065 1 35 . 1 1 7 7 PHE C C 7 175.919 175.919 176.832 -0.913 18224 12066 1 35 . 1 1 7 7 PHE CA C 7 58.932 58.932 59.712 -0.780 18224 12067 1 35 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.559 -0.379 18224 12068 1 35 . 1 1 7 7 PHE H H 7 8.151 8.151 8.609 -0.458 18224 12069 1 35 . 1 1 8 8 ASP N N 8 118.526 118.526 120.711 -2.185 18224 12070 1 35 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.901 -0.403 18224 12071 1 35 . 1 1 8 8 ASP C C 8 175.787 175.787 174.740 1.047 18224 12072 1 35 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.343 0.292 18224 12073 1 35 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.918 -1.715 18224 12074 1 35 . 1 1 8 8 ASP H H 8 8.161 8.161 8.508 -0.347 18224 12075 1 35 . 1 1 9 9 ASN N N 9 117.291 117.291 119.378 -2.087 18224 12076 1 35 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.921 -0.350 18224 12077 1 35 . 1 1 9 9 ASN C C 9 175.142 175.142 175.279 -0.137 18224 12078 1 35 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.470 0.464 18224 12079 1 35 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.805 -0.013 18224 12080 1 35 . 1 1 9 9 ASN H H 9 8.013 8.013 8.358 -0.345 18224 12081 1 35 . 1 1 10 10 TYR N N 10 119.112 119.112 121.339 -2.227 18224 12082 1 35 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.577 -0.131 18224 12083 1 35 . 1 1 10 10 TYR C C 10 175.513 175.513 175.737 -0.224 18224 12084 1 35 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.878 1.096 18224 12085 1 35 . 1 1 10 10 TYR CB C 10 38.883 38.883 36.475 2.408 18224 12086 1 35 . 1 1 10 10 TYR H H 10 7.848 7.848 8.746 -0.898 18224 12087 1 35 . 1 1 11 11 TYR N N 11 119.438 119.438 122.123 -2.685 18224 12088 1 35 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.393 0.114 18224 12089 1 35 . 1 1 11 11 TYR C C 11 175.939 175.939 176.940 -1.001 18224 12090 1 35 . 1 1 11 11 TYR CA C 11 58.297 58.297 59.197 -0.900 18224 12091 1 35 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.818 0.149 18224 12092 1 35 . 1 1 11 11 TYR H H 11 7.849 7.849 8.187 -0.338 18224 12093 1 35 . 1 1 12 12 GLY N N 12 109.685 109.685 111.156 -1.471 18224 12094 1 35 . 1 1 12 12 GLY C C 12 174.099 174.099 173.091 1.008 18224 12095 1 35 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.420 0.125 18224 12096 1 35 . 1 1 12 12 GLY H H 12 7.792 7.792 8.596 -0.804 18224 12097 1 35 . 1 1 13 13 ALA N N 13 123.072 123.072 124.542 -1.470 18224 12098 1 35 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.800 -0.525 18224 12099 1 35 . 1 1 13 13 ALA C C 13 177.669 177.669 176.536 1.133 18224 12100 1 35 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.169 0.801 18224 12101 1 35 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.735 -0.445 18224 12102 1 35 . 1 1 13 13 ALA H H 13 7.880 7.880 8.160 -0.280 18224 12103 1 35 . 1 1 14 14 ASP N N 14 117.540 117.540 118.351 -0.811 18224 12104 1 35 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.707 -0.058 18224 12105 1 35 . 1 1 14 14 ASP C C 14 175.649 175.649 174.721 0.928 18224 12106 1 35 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.424 0.540 18224 12107 1 35 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.186 -1.503 18224 12108 1 35 . 1 1 14 14 ASP H H 14 8.281 8.281 8.252 0.029 18224 12109 1 35 . 1 1 15 15 ASN N N 15 118.400 118.400 117.909 0.491 18224 12110 1 35 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.778 -0.092 18224 12111 1 35 . 1 1 15 15 ASN C C 15 175.351 175.351 175.285 0.066 18224 12112 1 35 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.280 0.328 18224 12113 1 35 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.628 -0.686 18224 12114 1 35 . 1 1 15 15 ASN H H 15 8.137 8.137 8.318 -0.181 18224 12115 1 35 . 1 1 16 16 GLN N N 16 120.072 120.072 120.406 -0.334 18224 12116 1 35 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.411 -0.051 18224 12117 1 35 . 1 1 16 16 GLN C C 16 176.206 176.206 176.050 0.156 18224 12118 1 35 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.833 0.570 18224 12119 1 35 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.345 2.824 18224 12120 1 35 . 1 1 16 16 GLN H H 16 8.284 8.284 8.436 -0.152 18224 12121 1 35 . 1 1 17 17 SER N N 17 116.112 116.112 120.331 -4.219 18224 12122 1 35 . 1 1 17 17 SER HA H 17 4.440 4.440 4.313 0.127 18224 12123 1 35 . 1 1 17 17 SER C C 17 174.568 174.568 173.275 1.293 18224 12124 1 35 . 1 1 17 17 SER CA C 17 58.911 58.911 59.285 -0.374 18224 12125 1 35 . 1 1 17 17 SER CB C 17 63.897 63.897 62.348 1.549 18224 12126 1 35 . 1 1 17 17 SER H H 17 8.211 8.211 8.367 -0.156 18224 12127 1 35 . 1 1 18 18 GLU N N 18 121.378 121.378 119.494 1.884 18224 12128 1 35 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.597 -0.218 18224 12129 1 35 . 1 1 18 18 GLU C C 18 175.934 175.934 174.674 1.260 18224 12130 1 35 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.372 0.034 18224 12131 1 35 . 1 1 18 18 GLU CB C 18 29.133 29.133 32.371 -3.238 18224 12132 1 35 . 1 1 18 18 GLU H H 18 8.262 8.262 8.090 0.172 18224 12133 1 35 . 1 1 19 19 CYS N N 19 119.418 119.418 125.372 -5.954 18224 12134 1 35 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.631 -0.187 18224 12135 1 35 . 1 1 19 19 CYS C C 19 174.568 174.568 173.642 0.926 18224 12136 1 35 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.535 -0.696 18224 12137 1 35 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.283 -0.310 18224 12138 1 35 . 1 1 19 19 CYS H H 19 8.182 8.182 8.911 -0.729 18224 12139 1 35 . 1 1 20 20 GLU N N 20 122.737 122.737 117.805 4.932 18224 12140 1 35 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.998 0.309 18224 12141 1 35 . 1 1 20 20 GLU C C 20 176.083 176.083 176.049 0.034 18224 12142 1 35 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.971 -1.431 18224 12143 1 35 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.474 0.391 18224 12144 1 35 . 1 1 20 20 GLU H H 20 8.303 8.303 8.675 -0.372 18224 12145 1 35 . 1 1 21 21 TYR N N 21 119.549 119.549 115.511 4.038 18224 12146 1 35 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.348 0.126 18224 12147 1 35 . 1 1 21 21 TYR C C 21 175.826 175.826 175.191 0.635 18224 12148 1 35 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.448 -0.777 18224 12149 1 35 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.727 -0.138 18224 12150 1 35 . 1 1 21 21 TYR H H 21 7.888 7.888 7.970 -0.082 18224 12151 1 35 . 1 1 22 22 THR N N 22 112.218 112.218 113.234 -1.016 18224 12152 1 35 . 1 1 22 22 THR HA H 22 4.163 4.163 3.909 0.254 18224 12153 1 35 . 1 1 22 22 THR C C 22 174.737 174.737 174.514 0.223 18224 12154 1 35 . 1 1 22 22 THR CA C 22 62.778 62.778 63.220 -0.442 18224 12155 1 35 . 1 1 22 22 THR CB C 22 69.531 69.531 69.052 0.479 18224 12156 1 35 . 1 1 22 22 THR H H 22 7.683 7.683 7.580 0.103 18224 12157 1 35 . 1 1 23 23 ASP N N 23 121.090 121.090 120.090 1.000 18224 12158 1 35 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.557 0.154 18224 12159 1 35 . 1 1 23 23 ASP C C 23 176.279 176.279 176.309 -0.030 18224 12160 1 35 . 1 1 23 23 ASP CA C 23 54.110 54.110 54.606 -0.496 18224 12161 1 35 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.439 -1.101 18224 12162 1 35 . 1 1 23 23 ASP H H 23 8.059 8.059 8.097 -0.038 18224 12163 1 35 . 1 1 24 24 TRP N N 24 121.546 121.546 119.640 1.906 18224 12164 1 35 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.405 0.081 18224 12165 1 35 . 1 1 24 24 TRP C C 24 177.051 177.051 175.812 1.239 18224 12166 1 35 . 1 1 24 24 TRP CA C 24 58.828 58.828 55.879 2.949 18224 12167 1 35 . 1 1 24 24 TRP CB C 24 29.068 29.068 29.121 -0.053 18224 12168 1 35 . 1 1 24 24 TRP H H 24 7.888 7.888 7.587 0.301 18224 12169 1 35 . 1 1 25 25 LYS N N 25 120.106 120.106 120.400 -0.294 18224 12170 1 35 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.724 0.266 18224 12171 1 35 . 1 1 25 25 LYS C C 25 176.764 176.764 175.429 1.335 18224 12172 1 35 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.154 0.568 18224 12173 1 35 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.120 2.181 18224 12174 1 35 . 1 1 25 25 LYS H H 25 7.620 7.620 8.492 -0.872 18224 12175 1 35 . 1 1 26 26 SER N N 26 114.114 114.114 112.571 1.543 18224 12176 1 35 . 1 1 26 26 SER HA H 26 4.471 4.471 4.397 0.074 18224 12177 1 35 . 1 1 26 26 SER C C 26 175.124 175.124 172.814 2.310 18224 12178 1 35 . 1 1 26 26 SER CA C 26 58.757 58.757 58.609 0.148 18224 12179 1 35 . 1 1 26 26 SER CB C 26 63.812 63.812 63.868 -0.056 18224 12180 1 35 . 1 1 26 26 SER H H 26 7.796 7.796 7.956 -0.160 18224 12181 1 35 . 1 1 27 27 SER N N 27 116.655 116.655 117.027 -0.372 18224 12182 1 35 . 1 1 27 27 SER HA H 27 4.386 4.386 4.692 -0.306 18224 12183 1 35 . 1 1 27 27 SER C C 27 175.505 175.505 173.597 1.908 18224 12184 1 35 . 1 1 27 27 SER CA C 27 59.611 59.611 58.664 0.946 18224 12185 1 35 . 1 1 27 27 SER CB C 27 64.117 64.117 63.870 0.247 18224 12186 1 35 . 1 1 27 27 SER H H 27 8.046 8.046 7.983 0.063 18224 12187 1 35 . 1 1 28 28 GLY N N 28 111.049 111.049 109.396 1.653 18224 12188 1 35 . 1 1 28 28 GLY C C 28 174.495 174.495 173.064 1.431 18224 12189 1 35 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.291 -0.170 18224 12190 1 35 . 1 1 28 28 GLY H H 28 8.304 8.304 8.329 -0.025 18224 12191 1 35 . 1 1 29 29 ALA N N 29 121.693 121.693 121.437 0.256 18224 12192 1 35 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.411 -0.062 18224 12193 1 35 . 1 1 29 29 ALA C C 29 177.695 177.695 176.632 1.063 18224 12194 1 35 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.020 1.091 18224 12195 1 35 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.874 1.090 18224 12196 1 35 . 1 1 29 29 ALA H H 29 7.941 7.941 8.068 -0.127 18224 12197 1 35 . 1 1 30 30 LEU N N 30 117.996 117.996 115.788 2.208 18224 12198 1 35 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.785 -0.603 18224 12199 1 35 . 1 1 30 30 LEU C C 30 177.484 177.484 177.529 -0.045 18224 12200 1 35 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.989 1.980 18224 12201 1 35 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.430 -0.008 18224 12202 1 35 . 1 1 30 30 LEU H H 30 7.968 7.968 7.934 0.034 18224 12203 1 35 . 1 1 31 31 ILE N N 31 117.106 117.106 120.999 -3.893 18224 12204 1 35 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.344 -0.405 18224 12205 1 35 . 1 1 31 31 ILE C C 31 174.998 174.998 175.173 -0.175 18224 12206 1 35 . 1 1 31 31 ILE CA C 31 65.922 65.922 64.136 1.786 18224 12207 1 35 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.568 -0.460 18224 12208 1 35 . 1 1 31 31 ILE H H 31 8.027 8.027 8.207 -0.180 18224 12209 1 35 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.339 -0.055 18224 12210 1 35 . 1 1 32 32 PRO C C 32 178.663 178.663 177.936 0.727 18224 12211 1 35 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.385 0.608 18224 12212 1 35 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.965 0.090 18224 12213 1 35 . 1 1 33 33 ALA N N 33 119.031 119.031 118.148 0.883 18224 12214 1 35 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.258 -0.092 18224 12215 1 35 . 1 1 33 33 ALA C C 33 178.942 178.942 179.157 -0.215 18224 12216 1 35 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.469 1.071 18224 12217 1 35 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.793 -0.307 18224 12218 1 35 . 1 1 33 33 ALA H H 33 7.580 7.580 8.132 -0.552 18224 12219 1 35 . 1 1 34 34 ILE N N 34 117.923 117.923 117.650 0.273 18224 12220 1 35 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.942 -0.243 18224 12221 1 35 . 1 1 34 34 ILE C C 34 177.833 177.833 176.497 1.336 18224 12222 1 35 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.173 1.939 18224 12223 1 35 . 1 1 34 34 ILE CB C 34 37.351 37.351 37.910 -0.559 18224 12224 1 35 . 1 1 34 34 ILE H H 34 8.234 8.234 7.541 0.693 18224 12225 1 35 . 1 1 35 35 TYR N N 35 118.746 118.746 120.440 -1.694 18224 12226 1 35 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.404 -0.289 18224 12227 1 35 . 1 1 35 35 TYR C C 35 178.044 178.044 176.910 1.134 18224 12228 1 35 . 1 1 35 35 TYR CA C 35 61.758 61.758 61.840 -0.082 18224 12229 1 35 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.108 -1.093 18224 12230 1 35 . 1 1 35 35 TYR H H 35 8.355 8.355 7.650 0.705 18224 12231 1 35 . 1 1 36 36 MET N N 36 117.813 117.813 118.047 -0.234 18224 12232 1 35 . 1 1 36 36 MET HA H 36 4.281 4.281 4.588 -0.307 18224 12233 1 35 . 1 1 36 36 MET C C 36 178.139 178.139 177.248 0.891 18224 12234 1 35 . 1 1 36 36 MET CA C 36 58.482 58.482 58.208 0.274 18224 12235 1 35 . 1 1 36 36 MET CB C 36 31.716 31.716 33.178 -1.462 18224 12236 1 35 . 1 1 36 36 MET H H 36 8.107 8.107 7.815 0.292 18224 12237 1 35 . 1 1 37 37 LEU N N 37 120.311 120.311 119.209 1.102 18224 12238 1 35 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.218 -0.143 18224 12239 1 35 . 1 1 37 37 LEU C C 37 178.399 178.399 177.083 1.316 18224 12240 1 35 . 1 1 37 37 LEU CA C 37 58.470 58.470 56.930 1.540 18224 12241 1 35 . 1 1 37 37 LEU CB C 37 41.953 41.953 40.624 1.329 18224 12242 1 35 . 1 1 37 37 LEU H H 37 8.229 8.229 7.911 0.318 18224 12243 1 35 . 1 1 38 38 VAL N N 38 118.080 118.080 116.789 1.291 18224 12244 1 35 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.039 -0.514 18224 12245 1 35 . 1 1 38 38 VAL C C 38 178.139 178.139 176.464 1.675 18224 12246 1 35 . 1 1 38 38 VAL CA C 38 67.152 67.152 62.911 4.241 18224 12247 1 35 . 1 1 38 38 VAL CB C 38 31.450 31.450 33.404 -1.954 18224 12248 1 35 . 1 1 38 38 VAL H H 38 8.363 8.363 7.385 0.978 18224 12249 1 35 . 1 1 39 39 PHE N N 39 120.151 120.151 122.388 -2.237 18224 12250 1 35 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.299 -0.076 18224 12251 1 35 . 1 1 39 39 PHE C C 39 178.544 178.544 176.490 2.054 18224 12252 1 35 . 1 1 39 39 PHE CA C 39 61.326 61.326 62.035 -0.709 18224 12253 1 35 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.378 -1.462 18224 12254 1 35 . 1 1 39 39 PHE H H 39 8.306 8.306 7.705 0.601 18224 12255 1 35 . 1 1 40 40 LEU N N 40 121.004 121.004 117.131 3.873 18224 12256 1 35 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.336 -0.313 18224 12257 1 35 . 1 1 40 40 LEU C C 40 179.704 179.704 177.859 1.845 18224 12258 1 35 . 1 1 40 40 LEU CA C 40 57.938 57.938 56.876 1.062 18224 12259 1 35 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.794 0.498 18224 12260 1 35 . 1 1 40 40 LEU H H 40 8.567 8.567 7.689 0.878 18224 12261 1 35 . 1 1 41 41 LEU N N 41 119.593 119.593 119.544 0.049 18224 12262 1 35 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.589 -0.528 18224 12263 1 35 . 1 1 41 41 LEU C C 41 178.966 178.966 177.756 1.210 18224 12264 1 35 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.360 2.336 18224 12265 1 35 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.139 -0.347 18224 12266 1 35 . 1 1 41 41 LEU H H 41 8.503 8.503 7.649 0.854 18224 12267 1 35 . 1 1 42 42 GLY N N 42 105.838 105.838 106.057 -0.219 18224 12268 1 35 . 1 1 42 42 GLY C C 42 175.587 175.587 174.648 0.939 18224 12269 1 35 . 1 1 42 42 GLY CA C 42 46.570 46.570 44.851 1.719 18224 12270 1 35 . 1 1 42 42 GLY H H 42 8.355 8.355 7.549 0.806 18224 12271 1 35 . 1 1 43 43 THR N N 43 112.333 112.333 114.746 -2.413 18224 12272 1 35 . 1 1 43 43 THR HA H 43 4.290 4.290 4.295 -0.005 18224 12273 1 35 . 1 1 43 43 THR C C 43 175.765 175.765 175.380 0.385 18224 12274 1 35 . 1 1 43 43 THR CA C 43 63.680 63.680 62.111 1.569 18224 12275 1 35 . 1 1 43 43 THR CB C 43 69.626 69.626 70.030 -0.404 18224 12276 1 35 . 1 1 43 43 THR H H 43 7.895 7.895 7.312 0.583 18224 12277 1 35 . 1 1 44 44 THR N N 44 112.041 112.041 112.457 -0.416 18224 12278 1 35 . 1 1 44 44 THR HA H 44 4.388 4.388 4.007 0.381 18224 12279 1 35 . 1 1 44 44 THR C C 44 175.555 175.555 174.674 0.881 18224 12280 1 35 . 1 1 44 44 THR CA C 44 62.732 62.732 63.923 -1.191 18224 12281 1 35 . 1 1 44 44 THR CB C 44 70.240 70.240 68.231 2.009 18224 12282 1 35 . 1 1 44 44 THR H H 44 7.684 7.684 8.218 -0.534 18224 12283 1 35 . 1 1 45 45 GLY N N 45 109.756 109.756 109.123 0.633 18224 12284 1 35 . 1 1 45 45 GLY C C 45 174.948 174.948 173.158 1.790 18224 12285 1 35 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.150 1.202 18224 12286 1 35 . 1 1 45 45 GLY H H 45 8.058 8.058 8.218 -0.160 18224 12287 1 35 . 1 1 46 46 ASN N N 46 117.561 117.561 119.041 -1.480 18224 12288 1 35 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.412 0.433 18224 12289 1 35 . 1 1 46 46 ASN C C 46 175.853 175.853 175.164 0.689 18224 12290 1 35 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.422 0.670 18224 12291 1 35 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.479 2.034 18224 12292 1 35 . 1 1 46 46 ASN H H 46 8.202 8.202 7.837 0.365 18224 12293 1 35 . 1 1 47 47 GLY N N 47 108.715 108.715 106.645 2.070 18224 12294 1 35 . 1 1 47 47 GLY C C 47 174.431 174.431 174.283 0.148 18224 12295 1 35 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.886 1.275 18224 12296 1 35 . 1 1 47 47 GLY H H 47 8.600 8.600 8.548 0.052 18224 12297 1 35 . 1 1 48 48 LEU N N 48 120.089 120.089 119.947 0.142 18224 12298 1 35 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.912 -0.593 18224 12299 1 35 . 1 1 48 48 LEU C C 48 179.243 179.243 177.015 2.228 18224 12300 1 35 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.788 1.528 18224 12301 1 35 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.864 -1.026 18224 12302 1 35 . 1 1 48 48 LEU H H 48 8.003 8.003 7.806 0.197 18224 12303 1 35 . 1 1 49 49 VAL N N 49 120.573 120.573 120.180 0.393 18224 12304 1 35 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.858 -0.037 18224 12305 1 35 . 1 1 49 49 VAL C C 49 177.520 177.520 177.525 -0.005 18224 12306 1 35 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.687 0.375 18224 12307 1 35 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.077 0.411 18224 12308 1 35 . 1 1 49 49 VAL H H 49 7.910 7.910 8.153 -0.243 18224 12309 1 35 . 1 1 50 50 LEU N N 50 119.718 119.718 119.986 -0.268 18224 12310 1 35 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.315 -0.288 18224 12311 1 35 . 1 1 50 50 LEU C C 50 178.169 178.169 178.754 -0.585 18224 12312 1 35 . 1 1 50 50 LEU CA C 50 58.052 58.052 57.469 0.583 18224 12313 1 35 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.135 0.606 18224 12314 1 35 . 1 1 50 50 LEU H H 50 7.860 7.860 7.889 -0.029 18224 12315 1 35 . 1 1 51 51 TRP N N 51 118.071 118.071 121.653 -3.582 18224 12316 1 35 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.327 0.215 18224 12317 1 35 . 1 1 51 51 TRP C C 51 177.296 177.296 177.412 -0.116 18224 12318 1 35 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.520 -0.602 18224 12319 1 35 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.738 1.237 18224 12320 1 35 . 1 1 51 51 TRP H H 51 8.109 8.109 7.614 0.495 18224 12321 1 35 . 1 1 52 52 THR N N 52 113.243 113.243 114.814 -1.571 18224 12322 1 35 . 1 1 52 52 THR HA H 52 3.773 3.773 3.600 0.173 18224 12323 1 35 . 1 1 52 52 THR C C 52 176.402 176.402 176.315 0.087 18224 12324 1 35 . 1 1 52 52 THR CA C 52 66.690 66.690 66.901 -0.211 18224 12325 1 35 . 1 1 52 52 THR CB C 52 68.921 68.921 68.459 0.462 18224 12326 1 35 . 1 1 52 52 THR H H 52 8.072 8.072 7.589 0.483 18224 12327 1 35 . 1 1 53 53 VAL N N 53 120.307 120.307 121.713 -1.406 18224 12328 1 35 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.799 -0.136 18224 12329 1 35 . 1 1 53 53 VAL C C 53 177.362 177.362 177.641 -0.279 18224 12330 1 35 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.099 1.193 18224 12331 1 35 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.292 0.425 18224 12332 1 35 . 1 1 53 53 VAL H H 53 8.006 8.006 7.331 0.675 18224 12333 1 35 . 1 1 54 54 PHE N N 54 119.041 119.041 116.862 2.179 18224 12334 1 35 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.367 -0.139 18224 12335 1 35 . 1 1 54 54 PHE C C 54 177.476 177.476 175.094 2.382 18224 12336 1 35 . 1 1 54 54 PHE CA C 54 60.892 60.892 58.532 2.360 18224 12337 1 35 . 1 1 54 54 PHE CB C 54 38.596 38.596 39.593 -0.997 18224 12338 1 35 . 1 1 54 54 PHE H H 54 8.143 8.143 8.531 -0.388 18224 12339 1 35 . 1 1 55 55 ARG N N 55 117.543 117.543 119.086 -1.543 18224 12340 1 35 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.796 0.067 18224 12341 1 35 . 1 1 55 55 ARG C C 55 177.832 177.832 177.560 0.272 18224 12342 1 35 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.904 0.802 18224 12343 1 35 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.405 -0.929 18224 12344 1 35 . 1 1 55 55 ARG H H 55 8.112 8.112 7.194 0.918 18224 12345 1 35 . 1 1 56 56 LYS N N 56 118.390 118.390 119.166 -0.776 18224 12346 1 35 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.941 0.222 18224 12347 1 35 . 1 1 56 56 LYS C C 56 177.400 177.400 178.446 -1.046 18224 12348 1 35 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.319 -0.609 18224 12349 1 35 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.355 0.423 18224 12350 1 35 . 1 1 56 56 LYS H H 56 7.789 7.789 7.940 -0.151 18224 12351 1 35 . 1 1 57 57 LYS N N 57 118.190 118.190 120.872 -2.682 18224 12352 1 35 . 1 1 57 57 LYS HA H 57 4.259 4.259 3.928 0.331 18224 12353 1 35 . 1 1 57 57 LYS C C 57 176.791 176.791 176.301 0.490 18224 12354 1 35 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.330 0.095 18224 12355 1 35 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.513 2.310 18224 12356 1 35 . 1 1 57 57 LYS H H 57 7.821 7.821 7.571 0.250 18224 12357 1 35 . 1 1 58 58 GLY N N 58 107.289 107.289 108.676 -1.387 18224 12358 1 35 . 1 1 58 58 GLY C C 58 173.607 173.607 173.911 -0.304 18224 12359 1 35 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.633 0.841 18224 12360 1 35 . 1 1 58 58 GLY H H 58 7.927 7.927 8.293 -0.366 18224 12361 1 35 . 1 1 59 59 HIS N N 59 116.847 116.847 116.798 0.049 18224 12362 1 35 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.820 -0.127 18224 12363 1 35 . 1 1 59 59 HIS C C 59 174.153 174.153 174.455 -0.302 18224 12364 1 35 . 1 1 59 59 HIS CA C 59 55.158 55.158 55.904 -0.746 18224 12365 1 35 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.247 -2.332 18224 12366 1 35 . 1 1 59 59 HIS H H 59 8.120 8.120 8.417 -0.297 18224 12367 1 35 . 1 1 60 60 HIS N N 60 118.028 118.028 117.038 0.990 18224 12368 1 35 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.526 0.166 18224 12369 1 35 . 1 1 60 60 HIS C C 60 173.987 173.987 173.969 0.018 18224 12370 1 35 . 1 1 60 60 HIS CA C 60 55.508 55.508 55.426 0.082 18224 12371 1 35 . 1 1 60 60 HIS CB C 60 28.825 28.825 31.475 -2.650 18224 12372 1 35 . 1 1 60 60 HIS H H 60 8.328 8.328 8.350 -0.022 18224 12373 1 35 . 1 1 61 61 HIS N N 61 118.101 118.101 117.561 0.540 18224 12374 1 35 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.949 -0.259 18224 12375 1 35 . 1 1 61 61 HIS C C 61 174.032 174.032 174.615 -0.583 18224 12376 1 35 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.625 0.093 18224 12377 1 35 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.383 -1.488 18224 12378 1 35 . 1 1 61 61 HIS H H 61 8.351 8.351 8.046 0.305 18224 12379 1 35 . 1 1 62 62 HIS N N 62 118.704 118.704 121.595 -2.891 18224 12380 1 35 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.389 0.312 18224 12381 1 35 . 1 1 62 62 HIS C C 62 173.803 173.803 175.179 -1.376 18224 12382 1 35 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.784 -1.180 18224 12383 1 35 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.262 -1.099 18224 12384 1 35 . 1 1 62 62 HIS H H 62 8.381 8.381 8.868 -0.487 18224 12385 1 35 . 1 1 63 63 HIS N N 63 118.853 118.853 119.106 -0.253 18224 12386 1 35 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.072 0.609 18224 12387 1 35 . 1 1 63 63 HIS C C 63 173.576 173.576 174.137 -0.561 18224 12388 1 35 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.660 -1.962 18224 12389 1 35 . 1 1 63 63 HIS CB C 63 29.133 29.133 28.486 0.647 18224 12390 1 35 . 1 1 63 63 HIS H H 63 8.299 8.299 8.278 0.021 18224 12391 1 36 . 1 1 2 2 GLU N N 2 122.762 122.762 121.306 1.456 18224 12392 1 36 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.655 -0.217 18224 12393 1 36 . 1 1 2 2 GLU C C 2 175.581 175.581 175.647 -0.066 18224 12394 1 36 . 1 1 2 2 GLU CA C 2 56.360 56.360 55.628 0.732 18224 12395 1 36 . 1 1 2 2 GLU CB C 2 29.582 29.582 30.660 -1.078 18224 12396 1 36 . 1 1 2 2 GLU H H 2 8.628 8.628 8.210 0.418 18224 12397 1 36 . 1 1 3 3 GLU N N 3 121.071 121.071 119.588 1.483 18224 12398 1 36 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.137 0.244 18224 12399 1 36 . 1 1 3 3 GLU C C 3 176.457 176.457 175.887 0.570 18224 12400 1 36 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.314 0.034 18224 12401 1 36 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.872 0.327 18224 12402 1 36 . 1 1 3 3 GLU H H 3 8.393 8.393 8.636 -0.243 18224 12403 1 36 . 1 1 4 4 GLY N N 4 109.717 109.717 107.744 1.973 18224 12404 1 36 . 1 1 4 4 GLY C C 4 174.677 174.677 173.895 0.782 18224 12405 1 36 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.008 0.633 18224 12406 1 36 . 1 1 4 4 GLY H H 4 8.377 8.377 8.292 0.085 18224 12407 1 36 . 1 1 5 5 GLY N N 5 108.373 108.373 108.906 -0.533 18224 12408 1 36 . 1 1 5 5 GLY C C 5 174.047 174.047 172.843 1.204 18224 12409 1 36 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.411 1.161 18224 12410 1 36 . 1 1 5 5 GLY H H 5 8.115 8.115 7.747 0.368 18224 12411 1 36 . 1 1 6 6 ASP N N 6 118.996 118.996 121.350 -2.354 18224 12412 1 36 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.756 -0.107 18224 12413 1 36 . 1 1 6 6 ASP C C 6 175.903 175.903 176.545 -0.642 18224 12414 1 36 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.779 0.266 18224 12415 1 36 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.989 -1.645 18224 12416 1 36 . 1 1 6 6 ASP H H 6 8.166 8.166 8.347 -0.181 18224 12417 1 36 . 1 1 7 7 PHE N N 7 119.750 119.750 122.017 -2.267 18224 12418 1 36 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.121 0.429 18224 12419 1 36 . 1 1 7 7 PHE C C 7 175.919 175.919 173.659 2.260 18224 12420 1 36 . 1 1 7 7 PHE CA C 7 58.932 58.932 59.788 -0.856 18224 12421 1 36 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.407 -0.227 18224 12422 1 36 . 1 1 7 7 PHE H H 7 8.151 8.151 8.680 -0.529 18224 12423 1 36 . 1 1 8 8 ASP N N 8 118.526 118.526 119.240 -0.714 18224 12424 1 36 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.700 -0.202 18224 12425 1 36 . 1 1 8 8 ASP C C 8 175.787 175.787 174.764 1.023 18224 12426 1 36 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.144 0.491 18224 12427 1 36 . 1 1 8 8 ASP CB C 8 39.203 39.203 41.358 -2.155 18224 12428 1 36 . 1 1 8 8 ASP H H 8 8.161 8.161 8.373 -0.212 18224 12429 1 36 . 1 1 9 9 ASN N N 9 117.291 117.291 117.882 -0.591 18224 12430 1 36 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.488 0.083 18224 12431 1 36 . 1 1 9 9 ASN C C 9 175.142 175.142 174.747 0.395 18224 12432 1 36 . 1 1 9 9 ASN CA C 9 53.934 53.934 54.437 -0.503 18224 12433 1 36 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.270 0.522 18224 12434 1 36 . 1 1 9 9 ASN H H 9 8.013 8.013 8.840 -0.827 18224 12435 1 36 . 1 1 10 10 TYR N N 10 119.112 119.112 116.665 2.447 18224 12436 1 36 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.302 0.144 18224 12437 1 36 . 1 1 10 10 TYR C C 10 175.513 175.513 174.161 1.352 18224 12438 1 36 . 1 1 10 10 TYR CA C 10 58.974 58.974 59.919 -0.945 18224 12439 1 36 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.636 0.247 18224 12440 1 36 . 1 1 10 10 TYR H H 10 7.848 7.848 8.302 -0.454 18224 12441 1 36 . 1 1 11 11 TYR N N 11 119.438 119.438 116.473 2.965 18224 12442 1 36 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.696 -0.189 18224 12443 1 36 . 1 1 11 11 TYR C C 11 175.939 175.939 175.144 0.795 18224 12444 1 36 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.141 1.156 18224 12445 1 36 . 1 1 11 11 TYR CB C 11 38.967 38.967 40.301 -1.334 18224 12446 1 36 . 1 1 11 11 TYR H H 11 7.849 7.849 7.432 0.417 18224 12447 1 36 . 1 1 12 12 GLY N N 12 109.685 109.685 110.699 -1.014 18224 12448 1 36 . 1 1 12 12 GLY C C 12 174.099 174.099 173.985 0.114 18224 12449 1 36 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.423 0.122 18224 12450 1 36 . 1 1 12 12 GLY H H 12 7.792 7.792 8.533 -0.741 18224 12451 1 36 . 1 1 13 13 ALA N N 13 123.072 123.072 125.916 -2.844 18224 12452 1 36 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.532 -0.257 18224 12453 1 36 . 1 1 13 13 ALA C C 13 177.669 177.669 176.265 1.404 18224 12454 1 36 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.911 1.059 18224 12455 1 36 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.788 1.502 18224 12456 1 36 . 1 1 13 13 ALA H H 13 7.880 7.880 7.577 0.303 18224 12457 1 36 . 1 1 14 14 ASP N N 14 117.540 117.540 120.178 -2.638 18224 12458 1 36 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.807 -0.158 18224 12459 1 36 . 1 1 14 14 ASP C C 14 175.649 175.649 175.452 0.197 18224 12460 1 36 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.097 -0.133 18224 12461 1 36 . 1 1 14 14 ASP CB C 14 39.683 39.683 42.107 -2.424 18224 12462 1 36 . 1 1 14 14 ASP H H 14 8.281 8.281 7.812 0.469 18224 12463 1 36 . 1 1 15 15 ASN N N 15 118.400 118.400 118.594 -0.194 18224 12464 1 36 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.641 0.045 18224 12465 1 36 . 1 1 15 15 ASN C C 15 175.351 175.351 175.564 -0.213 18224 12466 1 36 . 1 1 15 15 ASN CA C 15 53.608 53.608 52.941 0.667 18224 12467 1 36 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.159 -0.217 18224 12468 1 36 . 1 1 15 15 ASN H H 15 8.137 8.137 8.015 0.122 18224 12469 1 36 . 1 1 16 16 GLN N N 16 120.072 120.072 120.367 -0.295 18224 12470 1 36 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.136 0.224 18224 12471 1 36 . 1 1 16 16 GLN C C 16 176.206 176.206 175.645 0.561 18224 12472 1 36 . 1 1 16 16 GLN CA C 16 56.402 56.402 57.694 -1.292 18224 12473 1 36 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.782 0.387 18224 12474 1 36 . 1 1 16 16 GLN H H 16 8.284 8.284 8.405 -0.121 18224 12475 1 36 . 1 1 17 17 SER N N 17 116.112 116.112 115.291 0.821 18224 12476 1 36 . 1 1 17 17 SER HA H 17 4.440 4.440 4.208 0.232 18224 12477 1 36 . 1 1 17 17 SER C C 17 174.568 174.568 173.692 0.876 18224 12478 1 36 . 1 1 17 17 SER CA C 17 58.911 58.911 59.392 -0.481 18224 12479 1 36 . 1 1 17 17 SER CB C 17 63.897 63.897 62.427 1.470 18224 12480 1 36 . 1 1 17 17 SER H H 17 8.211 8.211 8.026 0.185 18224 12481 1 36 . 1 1 18 18 GLU N N 18 121.378 121.378 125.726 -4.348 18224 12482 1 36 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.488 -0.109 18224 12483 1 36 . 1 1 18 18 GLU C C 18 175.934 175.934 174.903 1.031 18224 12484 1 36 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.103 0.303 18224 12485 1 36 . 1 1 18 18 GLU CB C 18 29.133 29.133 32.448 -3.315 18224 12486 1 36 . 1 1 18 18 GLU H H 18 8.262 8.262 8.055 0.207 18224 12487 1 36 . 1 1 19 19 CYS N N 19 119.418 119.418 122.116 -2.698 18224 12488 1 36 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.520 -0.076 18224 12489 1 36 . 1 1 19 19 CYS C C 19 174.568 174.568 174.883 -0.315 18224 12490 1 36 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.074 -0.235 18224 12491 1 36 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.334 -2.361 18224 12492 1 36 . 1 1 19 19 CYS H H 19 8.182 8.182 8.580 -0.398 18224 12493 1 36 . 1 1 20 20 GLU N N 20 122.737 122.737 121.978 0.759 18224 12494 1 36 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.855 0.452 18224 12495 1 36 . 1 1 20 20 GLU C C 20 176.083 176.083 176.626 -0.543 18224 12496 1 36 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.823 -2.283 18224 12497 1 36 . 1 1 20 20 GLU CB C 20 28.866 28.866 27.886 0.980 18224 12498 1 36 . 1 1 20 20 GLU H H 20 8.303 8.303 9.077 -0.774 18224 12499 1 36 . 1 1 21 21 TYR N N 21 119.549 119.549 121.360 -1.811 18224 12500 1 36 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.020 0.454 18224 12501 1 36 . 1 1 21 21 TYR C C 21 175.826 175.826 174.701 1.125 18224 12502 1 36 . 1 1 21 21 TYR CA C 21 58.671 58.671 60.362 -1.691 18224 12503 1 36 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.356 0.233 18224 12504 1 36 . 1 1 21 21 TYR H H 21 7.888 7.888 8.359 -0.471 18224 12505 1 36 . 1 1 22 22 THR N N 22 112.218 112.218 109.341 2.877 18224 12506 1 36 . 1 1 22 22 THR HA H 22 4.163 4.163 3.909 0.254 18224 12507 1 36 . 1 1 22 22 THR C C 22 174.737 174.737 173.571 1.166 18224 12508 1 36 . 1 1 22 22 THR CA C 22 62.778 62.778 61.602 1.176 18224 12509 1 36 . 1 1 22 22 THR CB C 22 69.531 69.531 68.600 0.931 18224 12510 1 36 . 1 1 22 22 THR H H 22 7.683 7.683 7.563 0.120 18224 12511 1 36 . 1 1 23 23 ASP N N 23 121.090 121.090 120.982 0.108 18224 12512 1 36 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.860 -0.149 18224 12513 1 36 . 1 1 23 23 ASP C C 23 176.279 176.279 176.051 0.228 18224 12514 1 36 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.199 0.911 18224 12515 1 36 . 1 1 23 23 ASP CB C 23 39.338 39.338 41.657 -2.319 18224 12516 1 36 . 1 1 23 23 ASP H H 23 8.059 8.059 7.662 0.397 18224 12517 1 36 . 1 1 24 24 TRP N N 24 121.546 121.546 121.213 0.333 18224 12518 1 36 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.299 0.187 18224 12519 1 36 . 1 1 24 24 TRP C C 24 177.051 177.051 176.266 0.785 18224 12520 1 36 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.736 1.092 18224 12521 1 36 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.396 1.671 18224 12522 1 36 . 1 1 24 24 TRP H H 24 7.888 7.888 7.184 0.704 18224 12523 1 36 . 1 1 25 25 LYS N N 25 120.106 120.106 119.555 0.551 18224 12524 1 36 . 1 1 25 25 LYS HA H 25 3.990 3.990 3.981 0.009 18224 12525 1 36 . 1 1 25 25 LYS C C 25 176.764 176.764 178.057 -1.293 18224 12526 1 36 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.456 0.266 18224 12527 1 36 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.085 0.216 18224 12528 1 36 . 1 1 25 25 LYS H H 25 7.620 7.620 8.065 -0.445 18224 12529 1 36 . 1 1 26 26 SER N N 26 114.114 114.114 113.927 0.187 18224 12530 1 36 . 1 1 26 26 SER HA H 26 4.471 4.471 4.349 0.122 18224 12531 1 36 . 1 1 26 26 SER C C 26 175.124 175.124 173.679 1.445 18224 12532 1 36 . 1 1 26 26 SER CA C 26 58.757 58.757 58.763 -0.006 18224 12533 1 36 . 1 1 26 26 SER CB C 26 63.812 63.812 62.628 1.184 18224 12534 1 36 . 1 1 26 26 SER H H 26 7.796 7.796 8.391 -0.595 18224 12535 1 36 . 1 1 27 27 SER N N 27 116.655 116.655 109.708 6.947 18224 12536 1 36 . 1 1 27 27 SER HA H 27 4.386 4.386 4.210 0.176 18224 12537 1 36 . 1 1 27 27 SER C C 27 175.505 175.505 175.863 -0.358 18224 12538 1 36 . 1 1 27 27 SER CA C 27 59.611 59.611 59.798 -0.187 18224 12539 1 36 . 1 1 27 27 SER CB C 27 64.117 64.117 61.893 2.224 18224 12540 1 36 . 1 1 27 27 SER H H 27 8.046 8.046 8.563 -0.517 18224 12541 1 36 . 1 1 28 28 GLY N N 28 111.049 111.049 109.619 1.430 18224 12542 1 36 . 1 1 28 28 GLY C C 28 174.495 174.495 173.953 0.542 18224 12543 1 36 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.713 0.408 18224 12544 1 36 . 1 1 28 28 GLY H H 28 8.304 8.304 7.854 0.450 18224 12545 1 36 . 1 1 29 29 ALA N N 29 121.693 121.693 122.132 -0.439 18224 12546 1 36 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.409 -0.060 18224 12547 1 36 . 1 1 29 29 ALA C C 29 177.695 177.695 177.417 0.278 18224 12548 1 36 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.692 0.419 18224 12549 1 36 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.726 1.238 18224 12550 1 36 . 1 1 29 29 ALA H H 29 7.941 7.941 7.997 -0.056 18224 12551 1 36 . 1 1 30 30 LEU N N 30 117.996 117.996 120.000 -2.004 18224 12552 1 36 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.474 -0.292 18224 12553 1 36 . 1 1 30 30 LEU C C 30 177.484 177.484 175.850 1.634 18224 12554 1 36 . 1 1 30 30 LEU CA C 30 57.970 57.970 54.734 3.236 18224 12555 1 36 . 1 1 30 30 LEU CB C 30 42.422 42.422 40.938 1.484 18224 12556 1 36 . 1 1 30 30 LEU H H 30 7.968 7.968 7.265 0.703 18224 12557 1 36 . 1 1 31 31 ILE N N 31 117.106 117.106 119.990 -2.884 18224 12558 1 36 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.296 -0.357 18224 12559 1 36 . 1 1 31 31 ILE C C 31 174.998 174.998 174.841 0.157 18224 12560 1 36 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.157 2.765 18224 12561 1 36 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.549 -1.441 18224 12562 1 36 . 1 1 31 31 ILE H H 31 8.027 8.027 7.679 0.348 18224 12563 1 36 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.477 -0.193 18224 12564 1 36 . 1 1 32 32 PRO C C 32 178.663 178.663 177.568 1.095 18224 12565 1 36 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.734 0.259 18224 12566 1 36 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.314 -0.258 18224 12567 1 36 . 1 1 33 33 ALA N N 33 119.031 119.031 119.145 -0.114 18224 12568 1 36 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.287 -0.121 18224 12569 1 36 . 1 1 33 33 ALA C C 33 178.942 178.942 179.279 -0.337 18224 12570 1 36 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.234 1.306 18224 12571 1 36 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.494 -0.009 18224 12572 1 36 . 1 1 33 33 ALA H H 33 7.580 7.580 8.418 -0.838 18224 12573 1 36 . 1 1 34 34 ILE N N 34 117.923 117.923 118.467 -0.544 18224 12574 1 36 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.911 -0.212 18224 12575 1 36 . 1 1 34 34 ILE C C 34 177.833 177.833 177.290 0.543 18224 12576 1 36 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.431 1.681 18224 12577 1 36 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.350 -0.999 18224 12578 1 36 . 1 1 34 34 ILE H H 34 8.234 8.234 7.519 0.715 18224 12579 1 36 . 1 1 35 35 TYR N N 35 118.746 118.746 120.453 -1.707 18224 12580 1 36 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.169 -0.054 18224 12581 1 36 . 1 1 35 35 TYR C C 35 178.044 178.044 177.631 0.413 18224 12582 1 36 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.499 -0.742 18224 12583 1 36 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.682 -0.667 18224 12584 1 36 . 1 1 35 35 TYR H H 35 8.355 8.355 7.502 0.853 18224 12585 1 36 . 1 1 36 36 MET N N 36 117.813 117.813 116.754 1.059 18224 12586 1 36 . 1 1 36 36 MET HA H 36 4.281 4.281 4.384 -0.103 18224 12587 1 36 . 1 1 36 36 MET C C 36 178.139 178.139 178.171 -0.032 18224 12588 1 36 . 1 1 36 36 MET CA C 36 58.482 58.482 58.286 0.196 18224 12589 1 36 . 1 1 36 36 MET CB C 36 31.716 31.716 32.768 -1.052 18224 12590 1 36 . 1 1 36 36 MET H H 36 8.107 8.107 7.688 0.419 18224 12591 1 36 . 1 1 37 37 LEU N N 37 120.311 120.311 121.289 -0.978 18224 12592 1 36 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.077 -0.002 18224 12593 1 36 . 1 1 37 37 LEU C C 37 178.399 178.399 177.999 0.400 18224 12594 1 36 . 1 1 37 37 LEU CA C 37 58.470 58.470 58.000 0.470 18224 12595 1 36 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.827 0.126 18224 12596 1 36 . 1 1 37 37 LEU H H 37 8.229 8.229 7.769 0.460 18224 12597 1 36 . 1 1 38 38 VAL N N 38 118.080 118.080 116.380 1.700 18224 12598 1 36 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.940 -0.415 18224 12599 1 36 . 1 1 38 38 VAL C C 38 178.139 178.139 177.064 1.075 18224 12600 1 36 . 1 1 38 38 VAL CA C 38 67.152 67.152 65.018 2.134 18224 12601 1 36 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.237 -0.787 18224 12602 1 36 . 1 1 38 38 VAL H H 38 8.363 8.363 7.620 0.743 18224 12603 1 36 . 1 1 39 39 PHE N N 39 120.151 120.151 120.889 -0.738 18224 12604 1 36 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.351 -0.128 18224 12605 1 36 . 1 1 39 39 PHE C C 39 178.544 178.544 177.634 0.910 18224 12606 1 36 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.903 -0.577 18224 12607 1 36 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.711 -0.795 18224 12608 1 36 . 1 1 39 39 PHE H H 39 8.306 8.306 8.002 0.304 18224 12609 1 36 . 1 1 40 40 LEU N N 40 121.004 121.004 118.526 2.478 18224 12610 1 36 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.261 -0.238 18224 12611 1 36 . 1 1 40 40 LEU C C 40 179.704 179.704 177.661 2.043 18224 12612 1 36 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.347 0.591 18224 12613 1 36 . 1 1 40 40 LEU CB C 40 42.292 42.292 40.869 1.423 18224 12614 1 36 . 1 1 40 40 LEU H H 40 8.567 8.567 8.118 0.449 18224 12615 1 36 . 1 1 41 41 LEU N N 41 119.593 119.593 118.302 1.291 18224 12616 1 36 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.132 -0.071 18224 12617 1 36 . 1 1 41 41 LEU C C 41 178.966 178.966 177.606 1.360 18224 12618 1 36 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.288 1.408 18224 12619 1 36 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.272 -0.480 18224 12620 1 36 . 1 1 41 41 LEU H H 41 8.503 8.503 7.544 0.959 18224 12621 1 36 . 1 1 42 42 GLY N N 42 105.838 105.838 102.340 3.498 18224 12622 1 36 . 1 1 42 42 GLY C C 42 175.587 175.587 173.636 1.951 18224 12623 1 36 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.694 0.876 18224 12624 1 36 . 1 1 42 42 GLY H H 42 8.355 8.355 8.086 0.269 18224 12625 1 36 . 1 1 43 43 THR N N 43 112.333 112.333 111.918 0.415 18224 12626 1 36 . 1 1 43 43 THR HA H 43 4.290 4.290 4.244 0.046 18224 12627 1 36 . 1 1 43 43 THR C C 43 175.765 175.765 175.283 0.482 18224 12628 1 36 . 1 1 43 43 THR CA C 43 63.680 63.680 61.421 2.259 18224 12629 1 36 . 1 1 43 43 THR CB C 43 69.626 69.626 69.233 0.393 18224 12630 1 36 . 1 1 43 43 THR H H 43 7.895 7.895 7.378 0.517 18224 12631 1 36 . 1 1 44 44 THR N N 44 112.041 112.041 115.437 -3.396 18224 12632 1 36 . 1 1 44 44 THR HA H 44 4.388 4.388 4.153 0.235 18224 12633 1 36 . 1 1 44 44 THR C C 44 175.555 175.555 175.950 -0.395 18224 12634 1 36 . 1 1 44 44 THR CA C 44 62.732 62.732 64.235 -1.503 18224 12635 1 36 . 1 1 44 44 THR CB C 44 70.240 70.240 69.143 1.097 18224 12636 1 36 . 1 1 44 44 THR H H 44 7.684 7.684 7.751 -0.067 18224 12637 1 36 . 1 1 45 45 GLY N N 45 109.756 109.756 110.215 -0.459 18224 12638 1 36 . 1 1 45 45 GLY C C 45 174.948 174.948 174.106 0.842 18224 12639 1 36 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.961 1.391 18224 12640 1 36 . 1 1 45 45 GLY H H 45 8.058 8.058 8.669 -0.611 18224 12641 1 36 . 1 1 46 46 ASN N N 46 117.561 117.561 118.183 -0.622 18224 12642 1 36 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.252 0.593 18224 12643 1 36 . 1 1 46 46 ASN C C 46 175.853 175.853 175.711 0.142 18224 12644 1 36 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.297 0.795 18224 12645 1 36 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.089 2.425 18224 12646 1 36 . 1 1 46 46 ASN H H 46 8.202 8.202 8.143 0.059 18224 12647 1 36 . 1 1 47 47 GLY N N 47 108.715 108.715 107.970 0.745 18224 12648 1 36 . 1 1 47 47 GLY C C 47 174.431 174.431 175.120 -0.689 18224 12649 1 36 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.495 1.665 18224 12650 1 36 . 1 1 47 47 GLY H H 47 8.600 8.600 8.631 -0.031 18224 12651 1 36 . 1 1 48 48 LEU N N 48 120.089 120.089 120.276 -0.187 18224 12652 1 36 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.496 -0.177 18224 12653 1 36 . 1 1 48 48 LEU C C 48 179.243 179.243 177.252 1.991 18224 12654 1 36 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.324 0.992 18224 12655 1 36 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.270 -0.431 18224 12656 1 36 . 1 1 48 48 LEU H H 48 8.003 8.003 7.365 0.638 18224 12657 1 36 . 1 1 49 49 VAL N N 49 120.573 120.573 118.248 2.325 18224 12658 1 36 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.101 -0.280 18224 12659 1 36 . 1 1 49 49 VAL C C 49 177.520 177.520 176.949 0.571 18224 12660 1 36 . 1 1 49 49 VAL CA C 49 66.062 66.062 64.557 1.505 18224 12661 1 36 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.896 -0.408 18224 12662 1 36 . 1 1 49 49 VAL H H 49 7.910 7.910 7.824 0.086 18224 12663 1 36 . 1 1 50 50 LEU N N 50 119.718 119.718 119.219 0.499 18224 12664 1 36 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.557 -0.530 18224 12665 1 36 . 1 1 50 50 LEU C C 50 178.169 178.169 178.238 -0.069 18224 12666 1 36 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.883 1.169 18224 12667 1 36 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.781 -0.040 18224 12668 1 36 . 1 1 50 50 LEU H H 50 7.860 7.860 7.791 0.069 18224 12669 1 36 . 1 1 51 51 TRP N N 51 118.071 118.071 121.213 -3.142 18224 12670 1 36 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.615 -0.073 18224 12671 1 36 . 1 1 51 51 TRP C C 51 177.296 177.296 177.421 -0.125 18224 12672 1 36 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.288 -0.370 18224 12673 1 36 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.039 0.936 18224 12674 1 36 . 1 1 51 51 TRP H H 51 8.109 8.109 7.864 0.245 18224 12675 1 36 . 1 1 52 52 THR N N 52 113.243 113.243 114.893 -1.650 18224 12676 1 36 . 1 1 52 52 THR HA H 52 3.773 3.773 3.548 0.225 18224 12677 1 36 . 1 1 52 52 THR C C 52 176.402 176.402 175.879 0.523 18224 12678 1 36 . 1 1 52 52 THR CA C 52 66.690 66.690 64.539 2.151 18224 12679 1 36 . 1 1 52 52 THR CB C 52 68.921 68.921 67.937 0.984 18224 12680 1 36 . 1 1 52 52 THR H H 52 8.072 8.072 7.982 0.090 18224 12681 1 36 . 1 1 53 53 VAL N N 53 120.307 120.307 122.169 -1.862 18224 12682 1 36 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.684 -0.021 18224 12683 1 36 . 1 1 53 53 VAL C C 53 177.362 177.362 177.372 -0.010 18224 12684 1 36 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.960 0.332 18224 12685 1 36 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.517 0.200 18224 12686 1 36 . 1 1 53 53 VAL H H 53 8.006 8.006 7.208 0.798 18224 12687 1 36 . 1 1 54 54 PHE N N 54 119.041 119.041 117.816 1.225 18224 12688 1 36 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.051 0.177 18224 12689 1 36 . 1 1 54 54 PHE C C 54 177.476 177.476 176.258 1.218 18224 12690 1 36 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.757 0.135 18224 12691 1 36 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.684 -0.087 18224 12692 1 36 . 1 1 54 54 PHE H H 54 8.143 8.143 7.601 0.542 18224 12693 1 36 . 1 1 55 55 ARG N N 55 117.543 117.543 118.792 -1.249 18224 12694 1 36 . 1 1 55 55 ARG HA H 55 3.863 3.863 2.974 0.889 18224 12695 1 36 . 1 1 55 55 ARG C C 55 177.832 177.832 177.730 0.102 18224 12696 1 36 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.061 0.645 18224 12697 1 36 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.556 -0.080 18224 12698 1 36 . 1 1 55 55 ARG H H 55 8.112 8.112 6.610 1.502 18224 12699 1 36 . 1 1 56 56 LYS N N 56 118.390 118.390 118.191 0.199 18224 12700 1 36 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.795 0.368 18224 12701 1 36 . 1 1 56 56 LYS C C 56 177.400 177.400 178.678 -1.278 18224 12702 1 36 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.607 -0.897 18224 12703 1 36 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.053 0.726 18224 12704 1 36 . 1 1 56 56 LYS H H 56 7.789 7.789 8.132 -0.343 18224 12705 1 36 . 1 1 57 57 LYS N N 57 118.190 118.190 117.858 0.332 18224 12706 1 36 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.133 0.126 18224 12707 1 36 . 1 1 57 57 LYS C C 57 176.791 176.791 176.131 0.660 18224 12708 1 36 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.316 1.109 18224 12709 1 36 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.031 2.792 18224 12710 1 36 . 1 1 57 57 LYS H H 57 7.821 7.821 7.563 0.258 18224 12711 1 36 . 1 1 58 58 GLY N N 58 107.289 107.289 108.827 -1.538 18224 12712 1 36 . 1 1 58 58 GLY C C 58 173.607 173.607 173.788 -0.181 18224 12713 1 36 . 1 1 58 58 GLY CA C 58 45.474 45.474 44.389 1.085 18224 12714 1 36 . 1 1 58 58 GLY H H 58 7.927 7.927 8.193 -0.266 18224 12715 1 36 . 1 1 59 59 HIS N N 59 116.847 116.847 120.257 -3.410 18224 12716 1 36 . 1 1 59 59 HIS HA H 59 4.693 4.693 3.762 0.931 18224 12717 1 36 . 1 1 59 59 HIS C C 59 174.153 174.153 174.518 -0.365 18224 12718 1 36 . 1 1 59 59 HIS CA C 59 55.158 55.158 57.514 -2.356 18224 12719 1 36 . 1 1 59 59 HIS CB C 59 28.915 28.915 28.740 0.175 18224 12720 1 36 . 1 1 59 59 HIS H H 59 8.120 8.120 7.863 0.257 18224 12721 1 36 . 1 1 60 60 HIS N N 60 118.028 118.028 117.683 0.345 18224 12722 1 36 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.148 0.544 18224 12723 1 36 . 1 1 60 60 HIS C C 60 173.987 173.987 174.354 -0.367 18224 12724 1 36 . 1 1 60 60 HIS CA C 60 55.508 55.508 58.496 -2.988 18224 12725 1 36 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.160 -1.335 18224 12726 1 36 . 1 1 60 60 HIS H H 60 8.328 8.328 8.347 -0.019 18224 12727 1 36 . 1 1 61 61 HIS N N 61 118.101 118.101 116.664 1.437 18224 12728 1 36 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.256 0.434 18224 12729 1 36 . 1 1 61 61 HIS C C 61 174.032 174.032 174.573 -0.541 18224 12730 1 36 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.376 0.342 18224 12731 1 36 . 1 1 61 61 HIS CB C 61 28.895 28.895 28.575 0.320 18224 12732 1 36 . 1 1 61 61 HIS H H 61 8.351 8.351 7.243 1.108 18224 12733 1 36 . 1 1 62 62 HIS N N 62 118.704 118.704 117.174 1.530 18224 12734 1 36 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.449 0.252 18224 12735 1 36 . 1 1 62 62 HIS C C 62 173.803 173.803 175.510 -1.707 18224 12736 1 36 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.690 -0.086 18224 12737 1 36 . 1 1 62 62 HIS CB C 62 29.163 29.163 29.061 0.102 18224 12738 1 36 . 1 1 62 62 HIS H H 62 8.381 8.381 7.822 0.559 18224 12739 1 36 . 1 1 63 63 HIS N N 63 118.853 118.853 121.933 -3.080 18224 12740 1 36 . 1 1 63 63 HIS HA H 63 4.681 4.681 3.956 0.725 18224 12741 1 36 . 1 1 63 63 HIS C C 63 173.576 173.576 175.122 -1.546 18224 12742 1 36 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.632 -0.934 18224 12743 1 36 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.183 -1.050 18224 12744 1 36 . 1 1 63 63 HIS H H 63 8.299 8.299 8.594 -0.295 18224 12745 1 37 . 1 1 2 2 GLU N N 2 122.762 122.762 121.321 1.441 18224 12746 1 37 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.089 0.349 18224 12747 1 37 . 1 1 2 2 GLU C C 2 175.581 175.581 176.038 -0.457 18224 12748 1 37 . 1 1 2 2 GLU CA C 2 56.360 56.360 57.068 -0.708 18224 12749 1 37 . 1 1 2 2 GLU CB C 2 29.582 29.582 27.910 1.672 18224 12750 1 37 . 1 1 2 2 GLU H H 2 8.628 8.628 8.623 0.005 18224 12751 1 37 . 1 1 3 3 GLU N N 3 121.071 121.071 120.671 0.400 18224 12752 1 37 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.150 0.231 18224 12753 1 37 . 1 1 3 3 GLU C C 3 176.457 176.457 176.272 0.185 18224 12754 1 37 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.319 0.029 18224 12755 1 37 . 1 1 3 3 GLU CB C 3 29.199 29.199 28.587 0.612 18224 12756 1 37 . 1 1 3 3 GLU H H 3 8.393 8.393 8.652 -0.259 18224 12757 1 37 . 1 1 4 4 GLY N N 4 109.717 109.717 108.378 1.339 18224 12758 1 37 . 1 1 4 4 GLY C C 4 174.677 174.677 173.965 0.712 18224 12759 1 37 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.680 0.961 18224 12760 1 37 . 1 1 4 4 GLY H H 4 8.377 8.377 7.997 0.380 18224 12761 1 37 . 1 1 5 5 GLY N N 5 108.373 108.373 109.327 -0.954 18224 12762 1 37 . 1 1 5 5 GLY C C 5 174.047 174.047 172.990 1.057 18224 12763 1 37 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.719 0.853 18224 12764 1 37 . 1 1 5 5 GLY H H 5 8.115 8.115 7.969 0.146 18224 12765 1 37 . 1 1 6 6 ASP N N 6 118.996 118.996 121.330 -2.334 18224 12766 1 37 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.921 -0.272 18224 12767 1 37 . 1 1 6 6 ASP C C 6 175.903 175.903 174.855 1.048 18224 12768 1 37 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.051 -0.006 18224 12769 1 37 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.547 -2.203 18224 12770 1 37 . 1 1 6 6 ASP H H 6 8.166 8.166 8.413 -0.247 18224 12771 1 37 . 1 1 7 7 PHE N N 7 119.750 119.750 124.070 -4.320 18224 12772 1 37 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.595 -0.045 18224 12773 1 37 . 1 1 7 7 PHE C C 7 175.919 175.919 174.684 1.235 18224 12774 1 37 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.094 0.838 18224 12775 1 37 . 1 1 7 7 PHE CB C 7 39.180 39.180 42.164 -2.984 18224 12776 1 37 . 1 1 7 7 PHE H H 7 8.151 8.151 7.951 0.200 18224 12777 1 37 . 1 1 8 8 ASP N N 8 118.526 118.526 118.747 -0.221 18224 12778 1 37 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.240 0.258 18224 12779 1 37 . 1 1 8 8 ASP C C 8 175.787 175.787 174.802 0.985 18224 12780 1 37 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.517 0.118 18224 12781 1 37 . 1 1 8 8 ASP CB C 8 39.203 39.203 39.614 -0.411 18224 12782 1 37 . 1 1 8 8 ASP H H 8 8.161 8.161 7.792 0.369 18224 12783 1 37 . 1 1 9 9 ASN N N 9 117.291 117.291 113.820 3.471 18224 12784 1 37 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.658 -0.087 18224 12785 1 37 . 1 1 9 9 ASN C C 9 175.142 175.142 175.164 -0.022 18224 12786 1 37 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.103 1.831 18224 12787 1 37 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.233 0.559 18224 12788 1 37 . 1 1 9 9 ASN H H 9 8.013 8.013 8.215 -0.202 18224 12789 1 37 . 1 1 10 10 TYR N N 10 119.112 119.112 121.398 -2.286 18224 12790 1 37 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.202 0.244 18224 12791 1 37 . 1 1 10 10 TYR C C 10 175.513 175.513 175.100 0.413 18224 12792 1 37 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.732 0.242 18224 12793 1 37 . 1 1 10 10 TYR CB C 10 38.883 38.883 35.803 3.079 18224 12794 1 37 . 1 1 10 10 TYR H H 10 7.848 7.848 8.066 -0.218 18224 12795 1 37 . 1 1 11 11 TYR N N 11 119.438 119.438 119.515 -0.077 18224 12796 1 37 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.146 0.361 18224 12797 1 37 . 1 1 11 11 TYR C C 11 175.939 175.939 175.035 0.904 18224 12798 1 37 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.988 -0.691 18224 12799 1 37 . 1 1 11 11 TYR CB C 11 38.967 38.967 36.544 2.423 18224 12800 1 37 . 1 1 11 11 TYR H H 11 7.849 7.849 8.204 -0.355 18224 12801 1 37 . 1 1 12 12 GLY N N 12 109.685 109.685 107.430 2.255 18224 12802 1 37 . 1 1 12 12 GLY C C 12 174.099 174.099 172.899 1.200 18224 12803 1 37 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.947 0.598 18224 12804 1 37 . 1 1 12 12 GLY H H 12 7.792 7.792 7.525 0.267 18224 12805 1 37 . 1 1 13 13 ALA N N 13 123.072 123.072 126.245 -3.173 18224 12806 1 37 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.465 -0.190 18224 12807 1 37 . 1 1 13 13 ALA C C 13 177.669 177.669 175.150 2.519 18224 12808 1 37 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.869 0.101 18224 12809 1 37 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.738 -0.448 18224 12810 1 37 . 1 1 13 13 ALA H H 13 7.880 7.880 7.822 0.058 18224 12811 1 37 . 1 1 14 14 ASP N N 14 117.540 117.540 119.471 -1.931 18224 12812 1 37 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.760 -0.111 18224 12813 1 37 . 1 1 14 14 ASP C C 14 175.649 175.649 175.202 0.447 18224 12814 1 37 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.178 -0.214 18224 12815 1 37 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.344 -1.661 18224 12816 1 37 . 1 1 14 14 ASP H H 14 8.281 8.281 8.175 0.106 18224 12817 1 37 . 1 1 15 15 ASN N N 15 118.400 118.400 117.636 0.764 18224 12818 1 37 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.765 -0.079 18224 12819 1 37 . 1 1 15 15 ASN C C 15 175.351 175.351 176.041 -0.690 18224 12820 1 37 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.477 0.131 18224 12821 1 37 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.878 0.064 18224 12822 1 37 . 1 1 15 15 ASN H H 15 8.137 8.137 8.099 0.038 18224 12823 1 37 . 1 1 16 16 GLN N N 16 120.072 120.072 119.651 0.421 18224 12824 1 37 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.205 0.155 18224 12825 1 37 . 1 1 16 16 GLN C C 16 176.206 176.206 175.807 0.399 18224 12826 1 37 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.237 0.165 18224 12827 1 37 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.856 1.313 18224 12828 1 37 . 1 1 16 16 GLN H H 16 8.284 8.284 7.975 0.309 18224 12829 1 37 . 1 1 17 17 SER N N 17 116.112 116.112 115.987 0.125 18224 12830 1 37 . 1 1 17 17 SER HA H 17 4.440 4.440 4.237 0.203 18224 12831 1 37 . 1 1 17 17 SER C C 17 174.568 174.568 174.711 -0.143 18224 12832 1 37 . 1 1 17 17 SER CA C 17 58.911 58.911 59.352 -0.441 18224 12833 1 37 . 1 1 17 17 SER CB C 17 63.897 63.897 63.551 0.346 18224 12834 1 37 . 1 1 17 17 SER H H 17 8.211 8.211 7.891 0.320 18224 12835 1 37 . 1 1 18 18 GLU N N 18 121.378 121.378 126.764 -5.386 18224 12836 1 37 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.366 0.013 18224 12837 1 37 . 1 1 18 18 GLU C C 18 175.934 175.934 176.458 -0.524 18224 12838 1 37 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.829 0.577 18224 12839 1 37 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.966 -1.833 18224 12840 1 37 . 1 1 18 18 GLU H H 18 8.262 8.262 8.504 -0.242 18224 12841 1 37 . 1 1 19 19 CYS N N 19 119.418 119.418 117.437 1.981 18224 12842 1 37 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.161 0.283 18224 12843 1 37 . 1 1 19 19 CYS C C 19 174.568 174.568 174.292 0.276 18224 12844 1 37 . 1 1 19 19 CYS CA C 19 58.839 58.839 59.879 -1.040 18224 12845 1 37 . 1 1 19 19 CYS CB C 19 27.973 27.973 26.450 1.523 18224 12846 1 37 . 1 1 19 19 CYS H H 19 8.182 8.182 8.885 -0.703 18224 12847 1 37 . 1 1 20 20 GLU N N 20 122.737 122.737 116.715 6.022 18224 12848 1 37 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.634 -0.327 18224 12849 1 37 . 1 1 20 20 GLU C C 20 176.083 176.083 176.531 -0.448 18224 12850 1 37 . 1 1 20 20 GLU CA C 20 56.540 56.540 56.830 -0.290 18224 12851 1 37 . 1 1 20 20 GLU CB C 20 28.866 28.866 31.070 -2.204 18224 12852 1 37 . 1 1 20 20 GLU H H 20 8.303 8.303 8.259 0.044 18224 12853 1 37 . 1 1 21 21 TYR N N 21 119.549 119.549 118.788 0.761 18224 12854 1 37 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.212 0.262 18224 12855 1 37 . 1 1 21 21 TYR C C 21 175.826 175.826 174.414 1.412 18224 12856 1 37 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.264 -0.593 18224 12857 1 37 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.590 1.000 18224 12858 1 37 . 1 1 21 21 TYR H H 21 7.888 7.888 8.428 -0.540 18224 12859 1 37 . 1 1 22 22 THR N N 22 112.218 112.218 111.670 0.548 18224 12860 1 37 . 1 1 22 22 THR HA H 22 4.163 4.163 2.908 1.255 18224 12861 1 37 . 1 1 22 22 THR C C 22 174.737 174.737 173.187 1.550 18224 12862 1 37 . 1 1 22 22 THR CA C 22 62.778 62.778 62.998 -0.220 18224 12863 1 37 . 1 1 22 22 THR CB C 22 69.531 69.531 68.827 0.704 18224 12864 1 37 . 1 1 22 22 THR H H 22 7.683 7.683 7.163 0.520 18224 12865 1 37 . 1 1 23 23 ASP N N 23 121.090 121.090 120.371 0.719 18224 12866 1 37 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.558 0.153 18224 12867 1 37 . 1 1 23 23 ASP C C 23 176.279 176.279 176.628 -0.349 18224 12868 1 37 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.309 0.801 18224 12869 1 37 . 1 1 23 23 ASP CB C 23 39.338 39.338 39.670 -0.332 18224 12870 1 37 . 1 1 23 23 ASP H H 23 8.059 8.059 6.975 1.084 18224 12871 1 37 . 1 1 24 24 TRP N N 24 121.546 121.546 119.245 2.301 18224 12872 1 37 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.248 0.238 18224 12873 1 37 . 1 1 24 24 TRP C C 24 177.051 177.051 177.452 -0.401 18224 12874 1 37 . 1 1 24 24 TRP CA C 24 58.828 58.828 59.233 -0.405 18224 12875 1 37 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.967 1.101 18224 12876 1 37 . 1 1 24 24 TRP H H 24 7.888 7.888 6.602 1.286 18224 12877 1 37 . 1 1 25 25 LYS N N 25 120.106 120.106 117.902 2.204 18224 12878 1 37 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.492 -0.502 18224 12879 1 37 . 1 1 25 25 LYS C C 25 176.764 176.764 176.211 0.553 18224 12880 1 37 . 1 1 25 25 LYS CA C 25 57.722 57.722 55.924 1.798 18224 12881 1 37 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.238 0.063 18224 12882 1 37 . 1 1 25 25 LYS H H 25 7.620 7.620 8.292 -0.672 18224 12883 1 37 . 1 1 26 26 SER N N 26 114.114 114.114 116.255 -2.141 18224 12884 1 37 . 1 1 26 26 SER HA H 26 4.471 4.471 4.588 -0.117 18224 12885 1 37 . 1 1 26 26 SER C C 26 175.124 175.124 174.871 0.253 18224 12886 1 37 . 1 1 26 26 SER CA C 26 58.757 58.757 57.560 1.197 18224 12887 1 37 . 1 1 26 26 SER CB C 26 63.812 63.812 64.249 -0.437 18224 12888 1 37 . 1 1 26 26 SER H H 26 7.796 7.796 7.800 -0.004 18224 12889 1 37 . 1 1 27 27 SER N N 27 116.655 116.655 118.388 -1.733 18224 12890 1 37 . 1 1 27 27 SER HA H 27 4.386 4.386 4.126 0.260 18224 12891 1 37 . 1 1 27 27 SER C C 27 175.505 175.505 174.962 0.543 18224 12892 1 37 . 1 1 27 27 SER CA C 27 59.611 59.611 59.026 0.585 18224 12893 1 37 . 1 1 27 27 SER CB C 27 64.117 64.117 62.621 1.496 18224 12894 1 37 . 1 1 27 27 SER H H 27 8.046 8.046 8.995 -0.949 18224 12895 1 37 . 1 1 28 28 GLY N N 28 111.049 111.049 106.022 5.027 18224 12896 1 37 . 1 1 28 28 GLY C C 28 174.495 174.495 174.652 -0.157 18224 12897 1 37 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.995 1.126 18224 12898 1 37 . 1 1 28 28 GLY H H 28 8.304 8.304 7.821 0.483 18224 12899 1 37 . 1 1 29 29 ALA N N 29 121.693 121.693 119.403 2.290 18224 12900 1 37 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.945 0.404 18224 12901 1 37 . 1 1 29 29 ALA C C 29 177.695 177.695 176.949 0.746 18224 12902 1 37 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.641 -0.530 18224 12903 1 37 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.664 2.300 18224 12904 1 37 . 1 1 29 29 ALA H H 29 7.941 7.941 8.170 -0.229 18224 12905 1 37 . 1 1 30 30 LEU N N 30 117.996 117.996 114.913 3.083 18224 12906 1 37 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.406 -0.224 18224 12907 1 37 . 1 1 30 30 LEU C C 30 177.484 177.484 177.872 -0.388 18224 12908 1 37 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.672 2.298 18224 12909 1 37 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.971 -0.549 18224 12910 1 37 . 1 1 30 30 LEU H H 30 7.968 7.968 7.883 0.085 18224 12911 1 37 . 1 1 31 31 ILE N N 31 117.106 117.106 120.234 -3.128 18224 12912 1 37 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.221 -0.282 18224 12913 1 37 . 1 1 31 31 ILE C C 31 174.998 174.998 174.585 0.413 18224 12914 1 37 . 1 1 31 31 ILE CA C 31 65.922 65.922 65.651 0.271 18224 12915 1 37 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.740 -1.632 18224 12916 1 37 . 1 1 31 31 ILE H H 31 8.027 8.027 8.046 -0.019 18224 12917 1 37 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.209 0.075 18224 12918 1 37 . 1 1 32 32 PRO C C 32 178.663 178.663 177.824 0.839 18224 12919 1 37 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.063 -0.070 18224 12920 1 37 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.826 0.230 18224 12921 1 37 . 1 1 33 33 ALA N N 33 119.031 119.031 118.574 0.457 18224 12922 1 37 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.345 -0.179 18224 12923 1 37 . 1 1 33 33 ALA C C 33 178.942 178.942 178.998 -0.056 18224 12924 1 37 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.042 1.498 18224 12925 1 37 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.710 -0.225 18224 12926 1 37 . 1 1 33 33 ALA H H 33 7.580 7.580 8.440 -0.860 18224 12927 1 37 . 1 1 34 34 ILE N N 34 117.923 117.923 118.237 -0.314 18224 12928 1 37 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.030 -0.331 18224 12929 1 37 . 1 1 34 34 ILE C C 34 177.833 177.833 176.667 1.166 18224 12930 1 37 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.703 2.409 18224 12931 1 37 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.432 -1.081 18224 12932 1 37 . 1 1 34 34 ILE H H 34 8.234 8.234 7.688 0.546 18224 12933 1 37 . 1 1 35 35 TYR N N 35 118.746 118.746 120.770 -2.024 18224 12934 1 37 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.249 -0.134 18224 12935 1 37 . 1 1 35 35 TYR C C 35 178.044 178.044 177.029 1.015 18224 12936 1 37 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.085 -0.327 18224 12937 1 37 . 1 1 35 35 TYR CB C 35 38.015 38.015 39.439 -1.424 18224 12938 1 37 . 1 1 35 35 TYR H H 35 8.355 8.355 8.310 0.045 18224 12939 1 37 . 1 1 36 36 MET N N 36 117.813 117.813 117.280 0.533 18224 12940 1 37 . 1 1 36 36 MET HA H 36 4.281 4.281 4.369 -0.088 18224 12941 1 37 . 1 1 36 36 MET C C 36 178.139 178.139 178.343 -0.204 18224 12942 1 37 . 1 1 36 36 MET CA C 36 58.482 58.482 58.654 -0.172 18224 12943 1 37 . 1 1 36 36 MET CB C 36 31.716 31.716 32.565 -0.849 18224 12944 1 37 . 1 1 36 36 MET H H 36 8.107 8.107 7.741 0.366 18224 12945 1 37 . 1 1 37 37 LEU N N 37 120.311 120.311 119.700 0.611 18224 12946 1 37 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.057 0.018 18224 12947 1 37 . 1 1 37 37 LEU C C 37 178.399 178.399 178.026 0.373 18224 12948 1 37 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.624 0.846 18224 12949 1 37 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.961 -0.008 18224 12950 1 37 . 1 1 37 37 LEU H H 37 8.229 8.229 7.927 0.302 18224 12951 1 37 . 1 1 38 38 VAL N N 38 118.080 118.080 115.729 2.351 18224 12952 1 37 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.000 -0.475 18224 12953 1 37 . 1 1 38 38 VAL C C 38 178.139 178.139 176.755 1.384 18224 12954 1 37 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.695 3.457 18224 12955 1 37 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.205 -0.755 18224 12956 1 37 . 1 1 38 38 VAL H H 38 8.363 8.363 7.427 0.936 18224 12957 1 37 . 1 1 39 39 PHE N N 39 120.151 120.151 120.659 -0.508 18224 12958 1 37 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.451 -0.228 18224 12959 1 37 . 1 1 39 39 PHE C C 39 178.544 178.544 177.482 1.062 18224 12960 1 37 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.600 -0.274 18224 12961 1 37 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.426 -1.510 18224 12962 1 37 . 1 1 39 39 PHE H H 39 8.306 8.306 8.014 0.292 18224 12963 1 37 . 1 1 40 40 LEU N N 40 121.004 121.004 118.323 2.681 18224 12964 1 37 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.279 -0.256 18224 12965 1 37 . 1 1 40 40 LEU C C 40 179.704 179.704 177.519 2.185 18224 12966 1 37 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.365 0.573 18224 12967 1 37 . 1 1 40 40 LEU CB C 40 42.292 42.292 40.944 1.348 18224 12968 1 37 . 1 1 40 40 LEU H H 40 8.567 8.567 8.334 0.233 18224 12969 1 37 . 1 1 41 41 LEU N N 41 119.593 119.593 117.810 1.783 18224 12970 1 37 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.200 -0.139 18224 12971 1 37 . 1 1 41 41 LEU C C 41 178.966 178.966 178.008 0.958 18224 12972 1 37 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.775 1.921 18224 12973 1 37 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.122 -0.330 18224 12974 1 37 . 1 1 41 41 LEU H H 41 8.503 8.503 7.675 0.828 18224 12975 1 37 . 1 1 42 42 GLY N N 42 105.838 105.838 105.285 0.553 18224 12976 1 37 . 1 1 42 42 GLY C C 42 175.587 175.587 174.433 1.154 18224 12977 1 37 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.484 1.086 18224 12978 1 37 . 1 1 42 42 GLY H H 42 8.355 8.355 8.116 0.239 18224 12979 1 37 . 1 1 43 43 THR N N 43 112.333 112.333 113.407 -1.074 18224 12980 1 37 . 1 1 43 43 THR HA H 43 4.290 4.290 4.516 -0.226 18224 12981 1 37 . 1 1 43 43 THR C C 43 175.765 175.765 174.602 1.163 18224 12982 1 37 . 1 1 43 43 THR CA C 43 63.680 63.680 60.791 2.889 18224 12983 1 37 . 1 1 43 43 THR CB C 43 69.626 69.626 70.138 -0.512 18224 12984 1 37 . 1 1 43 43 THR H H 43 7.895 7.895 7.335 0.560 18224 12985 1 37 . 1 1 44 44 THR N N 44 112.041 112.041 113.566 -1.525 18224 12986 1 37 . 1 1 44 44 THR HA H 44 4.388 4.388 3.955 0.433 18224 12987 1 37 . 1 1 44 44 THR C C 44 175.555 175.555 175.020 0.535 18224 12988 1 37 . 1 1 44 44 THR CA C 44 62.732 62.732 64.425 -1.693 18224 12989 1 37 . 1 1 44 44 THR CB C 44 70.240 70.240 67.417 2.823 18224 12990 1 37 . 1 1 44 44 THR H H 44 7.684 7.684 8.329 -0.645 18224 12991 1 37 . 1 1 45 45 GLY N N 45 109.756 109.756 111.966 -2.210 18224 12992 1 37 . 1 1 45 45 GLY C C 45 174.948 174.948 173.257 1.691 18224 12993 1 37 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.024 1.328 18224 12994 1 37 . 1 1 45 45 GLY H H 45 8.058 8.058 8.483 -0.425 18224 12995 1 37 . 1 1 46 46 ASN N N 46 117.561 117.561 118.338 -0.777 18224 12996 1 37 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.359 0.486 18224 12997 1 37 . 1 1 46 46 ASN C C 46 175.853 175.853 175.326 0.527 18224 12998 1 37 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.708 0.384 18224 12999 1 37 . 1 1 46 46 ASN CB C 46 39.513 39.513 37.200 2.313 18224 13000 1 37 . 1 1 46 46 ASN H H 46 8.202 8.202 8.179 0.023 18224 13001 1 37 . 1 1 47 47 GLY N N 47 108.715 108.715 107.731 0.984 18224 13002 1 37 . 1 1 47 47 GLY C C 47 174.431 174.431 173.445 0.986 18224 13003 1 37 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.533 1.628 18224 13004 1 37 . 1 1 47 47 GLY H H 47 8.600 8.600 8.646 -0.046 18224 13005 1 37 . 1 1 48 48 LEU N N 48 120.089 120.089 117.571 2.518 18224 13006 1 37 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.468 -0.149 18224 13007 1 37 . 1 1 48 48 LEU C C 48 179.243 179.243 177.055 2.188 18224 13008 1 37 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.886 1.430 18224 13009 1 37 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.527 -0.689 18224 13010 1 37 . 1 1 48 48 LEU H H 48 8.003 8.003 7.818 0.185 18224 13011 1 37 . 1 1 49 49 VAL N N 49 120.573 120.573 119.741 0.832 18224 13012 1 37 . 1 1 49 49 VAL HA H 49 3.821 3.821 4.109 -0.288 18224 13013 1 37 . 1 1 49 49 VAL C C 49 177.520 177.520 177.339 0.181 18224 13014 1 37 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.020 1.042 18224 13015 1 37 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.780 -0.292 18224 13016 1 37 . 1 1 49 49 VAL H H 49 7.910 7.910 8.189 -0.279 18224 13017 1 37 . 1 1 50 50 LEU N N 50 119.718 119.718 116.274 3.444 18224 13018 1 37 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.741 -0.714 18224 13019 1 37 . 1 1 50 50 LEU C C 50 178.169 178.169 178.205 -0.036 18224 13020 1 37 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.847 1.205 18224 13021 1 37 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.086 0.655 18224 13022 1 37 . 1 1 50 50 LEU H H 50 7.860 7.860 7.805 0.055 18224 13023 1 37 . 1 1 51 51 TRP N N 51 118.071 118.071 121.138 -3.067 18224 13024 1 37 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.734 -0.192 18224 13025 1 37 . 1 1 51 51 TRP C C 51 177.296 177.296 176.443 0.853 18224 13026 1 37 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.587 0.331 18224 13027 1 37 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.414 1.561 18224 13028 1 37 . 1 1 51 51 TRP H H 51 8.109 8.109 8.155 -0.046 18224 13029 1 37 . 1 1 52 52 THR N N 52 113.243 113.243 114.491 -1.248 18224 13030 1 37 . 1 1 52 52 THR HA H 52 3.773 3.773 3.633 0.140 18224 13031 1 37 . 1 1 52 52 THR C C 52 176.402 176.402 176.062 0.340 18224 13032 1 37 . 1 1 52 52 THR CA C 52 66.690 66.690 64.239 2.451 18224 13033 1 37 . 1 1 52 52 THR CB C 52 68.921 68.921 68.862 0.058 18224 13034 1 37 . 1 1 52 52 THR H H 52 8.072 8.072 7.884 0.188 18224 13035 1 37 . 1 1 53 53 VAL N N 53 120.307 120.307 121.369 -1.062 18224 13036 1 37 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.670 -0.007 18224 13037 1 37 . 1 1 53 53 VAL C C 53 177.362 177.362 177.273 0.089 18224 13038 1 37 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.980 -0.688 18224 13039 1 37 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.621 0.096 18224 13040 1 37 . 1 1 53 53 VAL H H 53 8.006 8.006 7.573 0.433 18224 13041 1 37 . 1 1 54 54 PHE N N 54 119.041 119.041 116.669 2.372 18224 13042 1 37 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.089 0.139 18224 13043 1 37 . 1 1 54 54 PHE C C 54 177.476 177.476 175.563 1.913 18224 13044 1 37 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.512 1.380 18224 13045 1 37 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.611 -0.015 18224 13046 1 37 . 1 1 54 54 PHE H H 54 8.143 8.143 7.587 0.556 18224 13047 1 37 . 1 1 55 55 ARG N N 55 117.543 117.543 119.755 -2.212 18224 13048 1 37 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.248 0.615 18224 13049 1 37 . 1 1 55 55 ARG C C 55 177.832 177.832 177.476 0.356 18224 13050 1 37 . 1 1 55 55 ARG CA C 55 57.706 57.706 56.687 1.020 18224 13051 1 37 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.743 -0.267 18224 13052 1 37 . 1 1 55 55 ARG H H 55 8.112 8.112 7.122 0.990 18224 13053 1 37 . 1 1 56 56 LYS N N 56 118.390 118.390 119.051 -0.661 18224 13054 1 37 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.805 0.358 18224 13055 1 37 . 1 1 56 56 LYS C C 56 177.400 177.400 178.227 -0.827 18224 13056 1 37 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.863 -1.153 18224 13057 1 37 . 1 1 56 56 LYS CB C 56 32.779 32.779 31.830 0.949 18224 13058 1 37 . 1 1 56 56 LYS H H 56 7.789 7.789 8.006 -0.217 18224 13059 1 37 . 1 1 57 57 LYS N N 57 118.190 118.190 117.260 0.930 18224 13060 1 37 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.320 -0.061 18224 13061 1 37 . 1 1 57 57 LYS C C 57 176.791 176.791 177.382 -0.591 18224 13062 1 37 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.602 0.823 18224 13063 1 37 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.735 2.088 18224 13064 1 37 . 1 1 57 57 LYS H H 57 7.821 7.821 7.230 0.591 18224 13065 1 37 . 1 1 58 58 GLY N N 58 107.289 107.289 109.084 -1.795 18224 13066 1 37 . 1 1 58 58 GLY C C 58 173.607 173.607 175.114 -1.507 18224 13067 1 37 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.454 -0.980 18224 13068 1 37 . 1 1 58 58 GLY H H 58 7.927 7.927 8.321 -0.394 18224 13069 1 37 . 1 1 59 59 HIS N N 59 116.847 116.847 117.461 -0.614 18224 13070 1 37 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.481 0.212 18224 13071 1 37 . 1 1 59 59 HIS C C 59 174.153 174.153 176.277 -2.124 18224 13072 1 37 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.437 -1.279 18224 13073 1 37 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.802 -1.887 18224 13074 1 37 . 1 1 59 59 HIS H H 59 8.120 8.120 7.517 0.603 18224 13075 1 37 . 1 1 60 60 HIS N N 60 118.028 118.028 118.700 -0.672 18224 13076 1 37 . 1 1 60 60 HIS HA H 60 4.692 4.692 3.869 0.823 18224 13077 1 37 . 1 1 60 60 HIS C C 60 173.987 173.987 175.366 -1.379 18224 13078 1 37 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.640 -2.132 18224 13079 1 37 . 1 1 60 60 HIS CB C 60 28.825 28.825 28.547 0.278 18224 13080 1 37 . 1 1 60 60 HIS H H 60 8.328 8.328 8.384 -0.056 18224 13081 1 37 . 1 1 61 61 HIS N N 61 118.101 118.101 119.456 -1.355 18224 13082 1 37 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.003 0.687 18224 13083 1 37 . 1 1 61 61 HIS C C 61 174.032 174.032 175.671 -1.639 18224 13084 1 37 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.482 -0.764 18224 13085 1 37 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.545 -0.650 18224 13086 1 37 . 1 1 61 61 HIS H H 61 8.351 8.351 7.490 0.861 18224 13087 1 37 . 1 1 62 62 HIS N N 62 118.704 118.704 120.134 -1.430 18224 13088 1 37 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.138 0.563 18224 13089 1 37 . 1 1 62 62 HIS C C 62 173.803 173.803 177.043 -3.240 18224 13090 1 37 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.685 -1.081 18224 13091 1 37 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.422 -1.259 18224 13092 1 37 . 1 1 62 62 HIS H H 62 8.381 8.381 8.487 -0.106 18224 13093 1 37 . 1 1 63 63 HIS N N 63 118.853 118.853 120.533 -1.680 18224 13094 1 37 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.511 0.170 18224 13095 1 37 . 1 1 63 63 HIS C C 63 173.576 173.576 175.725 -2.149 18224 13096 1 37 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.418 -0.720 18224 13097 1 37 . 1 1 63 63 HIS CB C 63 29.133 29.133 27.466 1.667 18224 13098 1 37 . 1 1 63 63 HIS H H 63 8.299 8.299 8.824 -0.525 18224 13099 1 38 . 1 1 2 2 GLU N N 2 122.762 122.762 121.463 1.299 18224 13100 1 38 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.751 -0.313 18224 13101 1 38 . 1 1 2 2 GLU C C 2 175.581 175.581 175.203 0.378 18224 13102 1 38 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.491 -0.131 18224 13103 1 38 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.484 0.098 18224 13104 1 38 . 1 1 2 2 GLU H H 2 8.628 8.628 8.730 -0.102 18224 13105 1 38 . 1 1 3 3 GLU N N 3 121.071 121.071 121.175 -0.104 18224 13106 1 38 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.590 -0.209 18224 13107 1 38 . 1 1 3 3 GLU C C 3 176.457 176.457 176.667 -0.210 18224 13108 1 38 . 1 1 3 3 GLU CA C 3 56.348 56.348 55.727 0.621 18224 13109 1 38 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.344 -1.145 18224 13110 1 38 . 1 1 3 3 GLU H H 3 8.393 8.393 8.320 0.073 18224 13111 1 38 . 1 1 4 4 GLY N N 4 109.717 109.717 108.541 1.176 18224 13112 1 38 . 1 1 4 4 GLY C C 4 174.677 174.677 174.717 -0.040 18224 13113 1 38 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.856 0.785 18224 13114 1 38 . 1 1 4 4 GLY H H 4 8.377 8.377 8.305 0.072 18224 13115 1 38 . 1 1 5 5 GLY N N 5 108.373 108.373 109.522 -1.149 18224 13116 1 38 . 1 1 5 5 GLY C C 5 174.047 174.047 173.160 0.887 18224 13117 1 38 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.294 0.278 18224 13118 1 38 . 1 1 5 5 GLY H H 5 8.115 8.115 8.270 -0.155 18224 13119 1 38 . 1 1 6 6 ASP N N 6 118.996 118.996 120.740 -1.744 18224 13120 1 38 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.642 0.007 18224 13121 1 38 . 1 1 6 6 ASP C C 6 175.903 175.903 174.702 1.201 18224 13122 1 38 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.362 -0.317 18224 13123 1 38 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.854 -2.510 18224 13124 1 38 . 1 1 6 6 ASP H H 6 8.166 8.166 7.906 0.260 18224 13125 1 38 . 1 1 7 7 PHE N N 7 119.750 119.750 121.447 -1.697 18224 13126 1 38 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.687 -0.137 18224 13127 1 38 . 1 1 7 7 PHE C C 7 175.919 175.919 175.020 0.899 18224 13128 1 38 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.051 0.881 18224 13129 1 38 . 1 1 7 7 PHE CB C 7 39.180 39.180 41.142 -1.962 18224 13130 1 38 . 1 1 7 7 PHE H H 7 8.151 8.151 8.004 0.147 18224 13131 1 38 . 1 1 8 8 ASP N N 8 118.526 118.526 119.066 -0.540 18224 13132 1 38 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.264 0.234 18224 13133 1 38 . 1 1 8 8 ASP C C 8 175.787 175.787 174.873 0.914 18224 13134 1 38 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.969 -0.334 18224 13135 1 38 . 1 1 8 8 ASP CB C 8 39.203 39.203 39.886 -0.683 18224 13136 1 38 . 1 1 8 8 ASP H H 8 8.161 8.161 8.470 -0.309 18224 13137 1 38 . 1 1 9 9 ASN N N 9 117.291 117.291 117.587 -0.296 18224 13138 1 38 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.721 -0.150 18224 13139 1 38 . 1 1 9 9 ASN C C 9 175.142 175.142 173.629 1.513 18224 13140 1 38 . 1 1 9 9 ASN CA C 9 53.934 53.934 52.658 1.276 18224 13141 1 38 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.201 -0.409 18224 13142 1 38 . 1 1 9 9 ASN H H 9 8.013 8.013 8.269 -0.256 18224 13143 1 38 . 1 1 10 10 TYR N N 10 119.112 119.112 121.225 -2.113 18224 13144 1 38 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.343 0.103 18224 13145 1 38 . 1 1 10 10 TYR C C 10 175.513 175.513 173.885 1.628 18224 13146 1 38 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.303 1.671 18224 13147 1 38 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.302 0.581 18224 13148 1 38 . 1 1 10 10 TYR H H 10 7.848 7.848 7.972 -0.124 18224 13149 1 38 . 1 1 11 11 TYR N N 11 119.438 119.438 123.156 -3.718 18224 13150 1 38 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.297 0.210 18224 13151 1 38 . 1 1 11 11 TYR C C 11 175.939 175.939 173.996 1.943 18224 13152 1 38 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.909 0.388 18224 13153 1 38 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.648 0.319 18224 13154 1 38 . 1 1 11 11 TYR H H 11 7.849 7.849 7.766 0.083 18224 13155 1 38 . 1 1 12 12 GLY N N 12 109.685 109.685 107.745 1.940 18224 13156 1 38 . 1 1 12 12 GLY C C 12 174.099 174.099 172.816 1.283 18224 13157 1 38 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.930 0.615 18224 13158 1 38 . 1 1 12 12 GLY H H 12 7.792 7.792 8.161 -0.369 18224 13159 1 38 . 1 1 13 13 ALA N N 13 123.072 123.072 122.373 0.699 18224 13160 1 38 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.071 0.204 18224 13161 1 38 . 1 1 13 13 ALA C C 13 177.669 177.669 176.283 1.386 18224 13162 1 38 . 1 1 13 13 ALA CA C 13 52.970 52.970 52.814 0.156 18224 13163 1 38 . 1 1 13 13 ALA CB C 13 19.290 19.290 17.783 1.507 18224 13164 1 38 . 1 1 13 13 ALA H H 13 7.880 7.880 8.376 -0.496 18224 13165 1 38 . 1 1 14 14 ASP N N 14 117.540 117.540 119.115 -1.575 18224 13166 1 38 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.640 0.009 18224 13167 1 38 . 1 1 14 14 ASP C C 14 175.649 175.649 175.838 -0.189 18224 13168 1 38 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.469 0.495 18224 13169 1 38 . 1 1 14 14 ASP CB C 14 39.683 39.683 41.217 -1.534 18224 13170 1 38 . 1 1 14 14 ASP H H 14 8.281 8.281 8.527 -0.246 18224 13171 1 38 . 1 1 15 15 ASN N N 15 118.400 118.400 118.807 -0.407 18224 13172 1 38 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.663 0.023 18224 13173 1 38 . 1 1 15 15 ASN C C 15 175.351 175.351 175.857 -0.506 18224 13174 1 38 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.252 0.356 18224 13175 1 38 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.659 0.283 18224 13176 1 38 . 1 1 15 15 ASN H H 15 8.137 8.137 8.406 -0.269 18224 13177 1 38 . 1 1 16 16 GLN N N 16 120.072 120.072 119.951 0.121 18224 13178 1 38 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.311 0.049 18224 13179 1 38 . 1 1 16 16 GLN C C 16 176.206 176.206 175.765 0.441 18224 13180 1 38 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.181 0.221 18224 13181 1 38 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.789 2.380 18224 13182 1 38 . 1 1 16 16 GLN H H 16 8.284 8.284 8.257 0.027 18224 13183 1 38 . 1 1 17 17 SER N N 17 116.112 116.112 117.272 -1.160 18224 13184 1 38 . 1 1 17 17 SER HA H 17 4.440 4.440 4.523 -0.083 18224 13185 1 38 . 1 1 17 17 SER C C 17 174.568 174.568 173.505 1.063 18224 13186 1 38 . 1 1 17 17 SER CA C 17 58.911 58.911 58.338 0.573 18224 13187 1 38 . 1 1 17 17 SER CB C 17 63.897 63.897 62.807 1.090 18224 13188 1 38 . 1 1 17 17 SER H H 17 8.211 8.211 8.504 -0.293 18224 13189 1 38 . 1 1 18 18 GLU N N 18 121.378 121.378 121.803 -0.425 18224 13190 1 38 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.439 -0.060 18224 13191 1 38 . 1 1 18 18 GLU C C 18 175.934 175.934 174.799 1.135 18224 13192 1 38 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.181 0.225 18224 13193 1 38 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.748 -1.615 18224 13194 1 38 . 1 1 18 18 GLU H H 18 8.262 8.262 7.408 0.854 18224 13195 1 38 . 1 1 19 19 CYS N N 19 119.418 119.418 122.437 -3.019 18224 13196 1 38 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.791 -0.347 18224 13197 1 38 . 1 1 19 19 CYS C C 19 174.568 174.568 174.221 0.347 18224 13198 1 38 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.395 0.444 18224 13199 1 38 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.297 -2.324 18224 13200 1 38 . 1 1 19 19 CYS H H 19 8.182 8.182 8.197 -0.015 18224 13201 1 38 . 1 1 20 20 GLU N N 20 122.737 122.737 116.405 6.332 18224 13202 1 38 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.938 0.369 18224 13203 1 38 . 1 1 20 20 GLU C C 20 176.083 176.083 175.464 0.619 18224 13204 1 38 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.822 -1.282 18224 13205 1 38 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.584 0.282 18224 13206 1 38 . 1 1 20 20 GLU H H 20 8.303 8.303 8.624 -0.321 18224 13207 1 38 . 1 1 21 21 TYR N N 21 119.549 119.549 112.777 6.772 18224 13208 1 38 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.178 0.296 18224 13209 1 38 . 1 1 21 21 TYR C C 21 175.826 175.826 173.824 2.002 18224 13210 1 38 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.551 0.120 18224 13211 1 38 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.447 0.142 18224 13212 1 38 . 1 1 21 21 TYR H H 21 7.888 7.888 7.797 0.091 18224 13213 1 38 . 1 1 22 22 THR N N 22 112.218 112.218 113.568 -1.350 18224 13214 1 38 . 1 1 22 22 THR HA H 22 4.163 4.163 3.210 0.953 18224 13215 1 38 . 1 1 22 22 THR C C 22 174.737 174.737 173.675 1.062 18224 13216 1 38 . 1 1 22 22 THR CA C 22 62.778 62.778 62.744 0.034 18224 13217 1 38 . 1 1 22 22 THR CB C 22 69.531 69.531 68.554 0.977 18224 13218 1 38 . 1 1 22 22 THR H H 22 7.683 7.683 7.082 0.601 18224 13219 1 38 . 1 1 23 23 ASP N N 23 121.090 121.090 118.389 2.701 18224 13220 1 38 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.714 -0.003 18224 13221 1 38 . 1 1 23 23 ASP C C 23 176.279 176.279 175.715 0.564 18224 13222 1 38 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.729 1.381 18224 13223 1 38 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.788 -1.450 18224 13224 1 38 . 1 1 23 23 ASP H H 23 8.059 8.059 7.310 0.749 18224 13225 1 38 . 1 1 24 24 TRP N N 24 121.546 121.546 118.864 2.682 18224 13226 1 38 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.347 0.139 18224 13227 1 38 . 1 1 24 24 TRP C C 24 177.051 177.051 177.560 -0.509 18224 13228 1 38 . 1 1 24 24 TRP CA C 24 58.828 58.828 58.268 0.560 18224 13229 1 38 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.132 0.936 18224 13230 1 38 . 1 1 24 24 TRP H H 24 7.888 7.888 6.996 0.892 18224 13231 1 38 . 1 1 25 25 LYS N N 25 120.106 120.106 119.029 1.077 18224 13232 1 38 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.237 -0.247 18224 13233 1 38 . 1 1 25 25 LYS C C 25 176.764 176.764 177.488 -0.724 18224 13234 1 38 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.218 0.504 18224 13235 1 38 . 1 1 25 25 LYS CB C 25 32.301 32.301 32.304 -0.003 18224 13236 1 38 . 1 1 25 25 LYS H H 25 7.620 7.620 8.279 -0.659 18224 13237 1 38 . 1 1 26 26 SER N N 26 114.114 114.114 115.006 -0.892 18224 13238 1 38 . 1 1 26 26 SER HA H 26 4.471 4.471 4.278 0.193 18224 13239 1 38 . 1 1 26 26 SER C C 26 175.124 175.124 174.235 0.889 18224 13240 1 38 . 1 1 26 26 SER CA C 26 58.757 58.757 59.001 -0.244 18224 13241 1 38 . 1 1 26 26 SER CB C 26 63.812 63.812 62.321 1.491 18224 13242 1 38 . 1 1 26 26 SER H H 26 7.796 7.796 8.618 -0.822 18224 13243 1 38 . 1 1 27 27 SER N N 27 116.655 116.655 114.710 1.945 18224 13244 1 38 . 1 1 27 27 SER HA H 27 4.386 4.386 4.150 0.236 18224 13245 1 38 . 1 1 27 27 SER C C 27 175.505 175.505 175.316 0.189 18224 13246 1 38 . 1 1 27 27 SER CA C 27 59.611 59.611 59.225 0.386 18224 13247 1 38 . 1 1 27 27 SER CB C 27 64.117 64.117 62.113 2.004 18224 13248 1 38 . 1 1 27 27 SER H H 27 8.046 8.046 8.536 -0.489 18224 13249 1 38 . 1 1 28 28 GLY N N 28 111.049 111.049 107.165 3.884 18224 13250 1 38 . 1 1 28 28 GLY C C 28 174.495 174.495 173.967 0.528 18224 13251 1 38 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.465 0.656 18224 13252 1 38 . 1 1 28 28 GLY H H 28 8.304 8.304 8.311 -0.007 18224 13253 1 38 . 1 1 29 29 ALA N N 29 121.693 121.693 119.796 1.897 18224 13254 1 38 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.033 0.316 18224 13255 1 38 . 1 1 29 29 ALA C C 29 177.695 177.695 177.177 0.518 18224 13256 1 38 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.191 -0.080 18224 13257 1 38 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.883 2.081 18224 13258 1 38 . 1 1 29 29 ALA H H 29 7.941 7.941 7.936 0.005 18224 13259 1 38 . 1 1 30 30 LEU N N 30 117.996 117.996 118.739 -0.743 18224 13260 1 38 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.541 -0.359 18224 13261 1 38 . 1 1 30 30 LEU C C 30 177.484 177.484 176.252 1.232 18224 13262 1 38 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.129 2.841 18224 13263 1 38 . 1 1 30 30 LEU CB C 30 42.422 42.422 43.065 -0.643 18224 13264 1 38 . 1 1 30 30 LEU H H 30 7.968 7.968 7.827 0.141 18224 13265 1 38 . 1 1 31 31 ILE N N 31 117.106 117.106 118.575 -1.469 18224 13266 1 38 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.175 -0.236 18224 13267 1 38 . 1 1 31 31 ILE C C 31 174.998 174.998 174.870 0.128 18224 13268 1 38 . 1 1 31 31 ILE CA C 31 65.922 65.922 62.774 3.148 18224 13269 1 38 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.939 -1.831 18224 13270 1 38 . 1 1 31 31 ILE H H 31 8.027 8.027 8.141 -0.114 18224 13271 1 38 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.472 -0.188 18224 13272 1 38 . 1 1 32 32 PRO C C 32 178.663 178.663 178.067 0.596 18224 13273 1 38 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.248 -0.255 18224 13274 1 38 . 1 1 32 32 PRO CB C 32 31.056 31.056 31.362 -0.306 18224 13275 1 38 . 1 1 33 33 ALA N N 33 119.031 119.031 118.123 0.908 18224 13276 1 38 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.122 0.044 18224 13277 1 38 . 1 1 33 33 ALA C C 33 178.942 178.942 178.500 0.442 18224 13278 1 38 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.281 1.259 18224 13279 1 38 . 1 1 33 33 ALA CB C 33 18.485 18.485 17.936 0.549 18224 13280 1 38 . 1 1 33 33 ALA H H 33 7.580 7.580 8.453 -0.873 18224 13281 1 38 . 1 1 34 34 ILE N N 34 117.923 117.923 115.626 2.297 18224 13282 1 38 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.899 -0.200 18224 13283 1 38 . 1 1 34 34 ILE C C 34 177.833 177.833 177.451 0.382 18224 13284 1 38 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.853 1.259 18224 13285 1 38 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.302 -0.951 18224 13286 1 38 . 1 1 34 34 ILE H H 34 8.234 8.234 7.347 0.887 18224 13287 1 38 . 1 1 35 35 TYR N N 35 118.746 118.746 120.861 -2.115 18224 13288 1 38 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.079 0.036 18224 13289 1 38 . 1 1 35 35 TYR C C 35 178.044 178.044 178.033 0.011 18224 13290 1 38 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.410 -0.652 18224 13291 1 38 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.492 -0.477 18224 13292 1 38 . 1 1 35 35 TYR H H 35 8.355 8.355 7.985 0.370 18224 13293 1 38 . 1 1 36 36 MET N N 36 117.813 117.813 116.723 1.090 18224 13294 1 38 . 1 1 36 36 MET HA H 36 4.281 4.281 4.343 -0.062 18224 13295 1 38 . 1 1 36 36 MET C C 36 178.139 178.139 177.861 0.278 18224 13296 1 38 . 1 1 36 36 MET CA C 36 58.482 58.482 58.799 -0.317 18224 13297 1 38 . 1 1 36 36 MET CB C 36 31.716 31.716 32.080 -0.364 18224 13298 1 38 . 1 1 36 36 MET H H 36 8.107 8.107 8.372 -0.265 18224 13299 1 38 . 1 1 37 37 LEU N N 37 120.311 120.311 119.657 0.654 18224 13300 1 38 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.434 -0.359 18224 13301 1 38 . 1 1 37 37 LEU C C 37 178.399 178.399 177.706 0.693 18224 13302 1 38 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.044 1.426 18224 13303 1 38 . 1 1 37 37 LEU CB C 37 41.953 41.953 42.909 -0.956 18224 13304 1 38 . 1 1 37 37 LEU H H 37 8.229 8.229 7.846 0.383 18224 13305 1 38 . 1 1 38 38 VAL N N 38 118.080 118.080 119.212 -1.132 18224 13306 1 38 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.830 -0.305 18224 13307 1 38 . 1 1 38 38 VAL C C 38 178.139 178.139 177.265 0.874 18224 13308 1 38 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.981 2.171 18224 13309 1 38 . 1 1 38 38 VAL CB C 38 31.450 31.450 31.490 -0.040 18224 13310 1 38 . 1 1 38 38 VAL H H 38 8.363 8.363 7.865 0.498 18224 13311 1 38 . 1 1 39 39 PHE N N 39 120.151 120.151 119.501 0.650 18224 13312 1 38 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.383 -0.160 18224 13313 1 38 . 1 1 39 39 PHE C C 39 178.544 178.544 175.970 2.574 18224 13314 1 38 . 1 1 39 39 PHE CA C 39 61.326 61.326 61.396 -0.070 18224 13315 1 38 . 1 1 39 39 PHE CB C 39 38.916 38.916 39.590 -0.674 18224 13316 1 38 . 1 1 39 39 PHE H H 39 8.306 8.306 8.205 0.101 18224 13317 1 38 . 1 1 40 40 LEU N N 40 121.004 121.004 114.404 6.600 18224 13318 1 38 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.609 -0.586 18224 13319 1 38 . 1 1 40 40 LEU C C 40 179.704 179.704 177.763 1.941 18224 13320 1 38 . 1 1 40 40 LEU CA C 40 57.938 57.938 55.560 2.378 18224 13321 1 38 . 1 1 40 40 LEU CB C 40 42.292 42.292 42.604 -0.312 18224 13322 1 38 . 1 1 40 40 LEU H H 40 8.567 8.567 7.359 1.208 18224 13323 1 38 . 1 1 41 41 LEU N N 41 119.593 119.593 117.139 2.454 18224 13324 1 38 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.403 -0.342 18224 13325 1 38 . 1 1 41 41 LEU C C 41 178.966 178.966 177.495 1.471 18224 13326 1 38 . 1 1 41 41 LEU CA C 41 57.696 57.696 54.926 2.770 18224 13327 1 38 . 1 1 41 41 LEU CB C 41 41.792 41.792 40.885 0.907 18224 13328 1 38 . 1 1 41 41 LEU H H 41 8.503 8.503 7.409 1.094 18224 13329 1 38 . 1 1 42 42 GLY N N 42 105.838 105.838 104.255 1.583 18224 13330 1 38 . 1 1 42 42 GLY C C 42 175.587 175.587 174.046 1.541 18224 13331 1 38 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.615 0.955 18224 13332 1 38 . 1 1 42 42 GLY H H 42 8.355 8.355 8.049 0.306 18224 13333 1 38 . 1 1 43 43 THR N N 43 112.333 112.333 115.959 -3.626 18224 13334 1 38 . 1 1 43 43 THR HA H 43 4.290 4.290 4.379 -0.089 18224 13335 1 38 . 1 1 43 43 THR C C 43 175.765 175.765 176.451 -0.686 18224 13336 1 38 . 1 1 43 43 THR CA C 43 63.680 63.680 62.305 1.375 18224 13337 1 38 . 1 1 43 43 THR CB C 43 69.626 69.626 69.278 0.348 18224 13338 1 38 . 1 1 43 43 THR H H 43 7.895 7.895 7.587 0.308 18224 13339 1 38 . 1 1 44 44 THR N N 44 112.041 112.041 115.635 -3.594 18224 13340 1 38 . 1 1 44 44 THR HA H 44 4.388 4.388 4.078 0.310 18224 13341 1 38 . 1 1 44 44 THR C C 44 175.555 175.555 175.568 -0.013 18224 13342 1 38 . 1 1 44 44 THR CA C 44 62.732 62.732 64.408 -1.676 18224 13343 1 38 . 1 1 44 44 THR CB C 44 70.240 70.240 68.765 1.475 18224 13344 1 38 . 1 1 44 44 THR H H 44 7.684 7.684 8.494 -0.810 18224 13345 1 38 . 1 1 45 45 GLY N N 45 109.756 109.756 108.612 1.144 18224 13346 1 38 . 1 1 45 45 GLY C C 45 174.948 174.948 173.451 1.497 18224 13347 1 38 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.117 1.235 18224 13348 1 38 . 1 1 45 45 GLY H H 45 8.058 8.058 8.173 -0.115 18224 13349 1 38 . 1 1 46 46 ASN N N 46 117.561 117.561 118.224 -0.663 18224 13350 1 38 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.556 0.289 18224 13351 1 38 . 1 1 46 46 ASN C C 46 175.853 175.853 174.753 1.100 18224 13352 1 38 . 1 1 46 46 ASN CA C 46 54.092 54.092 54.129 -0.037 18224 13353 1 38 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.207 1.306 18224 13354 1 38 . 1 1 46 46 ASN H H 46 8.202 8.202 8.468 -0.266 18224 13355 1 38 . 1 1 47 47 GLY N N 47 108.715 108.715 106.160 2.555 18224 13356 1 38 . 1 1 47 47 GLY C C 47 174.431 174.431 174.992 -0.561 18224 13357 1 38 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.236 1.925 18224 13358 1 38 . 1 1 47 47 GLY H H 47 8.600 8.600 8.010 0.590 18224 13359 1 38 . 1 1 48 48 LEU N N 48 120.089 120.089 121.029 -0.940 18224 13360 1 38 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.716 -0.397 18224 13361 1 38 . 1 1 48 48 LEU C C 48 179.243 179.243 178.400 0.843 18224 13362 1 38 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.086 1.230 18224 13363 1 38 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.494 -0.656 18224 13364 1 38 . 1 1 48 48 LEU H H 48 8.003 8.003 7.854 0.149 18224 13365 1 38 . 1 1 49 49 VAL N N 49 120.573 120.573 119.579 0.994 18224 13366 1 38 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.907 -0.086 18224 13367 1 38 . 1 1 49 49 VAL C C 49 177.520 177.520 177.048 0.472 18224 13368 1 38 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.156 0.906 18224 13369 1 38 . 1 1 49 49 VAL CB C 49 31.488 31.488 30.841 0.647 18224 13370 1 38 . 1 1 49 49 VAL H H 49 7.910 7.910 8.107 -0.197 18224 13371 1 38 . 1 1 50 50 LEU N N 50 119.718 119.718 118.135 1.583 18224 13372 1 38 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.511 -0.484 18224 13373 1 38 . 1 1 50 50 LEU C C 50 178.169 178.169 178.366 -0.197 18224 13374 1 38 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.062 1.990 18224 13375 1 38 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.627 0.114 18224 13376 1 38 . 1 1 50 50 LEU H H 50 7.860 7.860 7.647 0.213 18224 13377 1 38 . 1 1 51 51 TRP N N 51 118.071 118.071 121.930 -3.859 18224 13378 1 38 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.645 -0.103 18224 13379 1 38 . 1 1 51 51 TRP C C 51 177.296 177.296 176.926 0.370 18224 13380 1 38 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.761 0.156 18224 13381 1 38 . 1 1 51 51 TRP CB C 51 29.975 29.975 29.130 0.845 18224 13382 1 38 . 1 1 51 51 TRP H H 51 8.109 8.109 8.656 -0.547 18224 13383 1 38 . 1 1 52 52 THR N N 52 113.243 113.243 114.931 -1.688 18224 13384 1 38 . 1 1 52 52 THR HA H 52 3.773 3.773 3.849 -0.076 18224 13385 1 38 . 1 1 52 52 THR C C 52 176.402 176.402 175.975 0.427 18224 13386 1 38 . 1 1 52 52 THR CA C 52 66.690 66.690 63.760 2.930 18224 13387 1 38 . 1 1 52 52 THR CB C 52 68.921 68.921 68.663 0.258 18224 13388 1 38 . 1 1 52 52 THR H H 52 8.072 8.072 7.610 0.462 18224 13389 1 38 . 1 1 53 53 VAL N N 53 120.307 120.307 122.068 -1.761 18224 13390 1 38 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.630 0.033 18224 13391 1 38 . 1 1 53 53 VAL C C 53 177.362 177.362 177.071 0.291 18224 13392 1 38 . 1 1 53 53 VAL CA C 53 66.292 66.292 66.603 -0.312 18224 13393 1 38 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.871 -0.154 18224 13394 1 38 . 1 1 53 53 VAL H H 53 8.006 8.006 7.191 0.815 18224 13395 1 38 . 1 1 54 54 PHE N N 54 119.041 119.041 118.571 0.470 18224 13396 1 38 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.028 0.200 18224 13397 1 38 . 1 1 54 54 PHE C C 54 177.476 177.476 175.931 1.545 18224 13398 1 38 . 1 1 54 54 PHE CA C 54 60.892 60.892 60.561 0.331 18224 13399 1 38 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.785 -0.189 18224 13400 1 38 . 1 1 54 54 PHE H H 54 8.143 8.143 7.705 0.438 18224 13401 1 38 . 1 1 55 55 ARG N N 55 117.543 117.543 118.676 -1.133 18224 13402 1 38 . 1 1 55 55 ARG HA H 55 3.863 3.863 2.997 0.866 18224 13403 1 38 . 1 1 55 55 ARG C C 55 177.832 177.832 178.007 -0.175 18224 13404 1 38 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.549 0.157 18224 13405 1 38 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.623 -0.147 18224 13406 1 38 . 1 1 55 55 ARG H H 55 8.112 8.112 7.083 1.029 18224 13407 1 38 . 1 1 56 56 LYS N N 56 118.390 118.390 117.646 0.744 18224 13408 1 38 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.822 0.341 18224 13409 1 38 . 1 1 56 56 LYS C C 56 177.400 177.400 178.567 -1.167 18224 13410 1 38 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.944 -1.234 18224 13411 1 38 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.011 0.768 18224 13412 1 38 . 1 1 56 56 LYS H H 56 7.789 7.789 7.688 0.101 18224 13413 1 38 . 1 1 57 57 LYS N N 57 118.190 118.190 117.037 1.153 18224 13414 1 38 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.347 -0.088 18224 13415 1 38 . 1 1 57 57 LYS C C 57 176.791 176.791 177.461 -0.670 18224 13416 1 38 . 1 1 57 57 LYS CA C 57 56.425 56.425 56.348 0.077 18224 13417 1 38 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.866 1.957 18224 13418 1 38 . 1 1 57 57 LYS H H 57 7.821 7.821 7.197 0.624 18224 13419 1 38 . 1 1 58 58 GLY N N 58 107.289 107.289 107.928 -0.639 18224 13420 1 38 . 1 1 58 58 GLY C C 58 173.607 173.607 174.787 -1.180 18224 13421 1 38 . 1 1 58 58 GLY CA C 58 45.474 45.474 46.175 -0.701 18224 13422 1 38 . 1 1 58 58 GLY H H 58 7.927 7.927 8.334 -0.407 18224 13423 1 38 . 1 1 59 59 HIS N N 59 116.847 116.847 115.555 1.292 18224 13424 1 38 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.584 0.109 18224 13425 1 38 . 1 1 59 59 HIS C C 59 174.153 174.153 174.585 -0.432 18224 13426 1 38 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.453 -1.294 18224 13427 1 38 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.649 -2.734 18224 13428 1 38 . 1 1 59 59 HIS H H 59 8.120 8.120 7.725 0.395 18224 13429 1 38 . 1 1 60 60 HIS N N 60 118.028 118.028 121.884 -3.856 18224 13430 1 38 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.281 0.411 18224 13431 1 38 . 1 1 60 60 HIS C C 60 173.987 173.987 175.551 -1.564 18224 13432 1 38 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.758 -1.250 18224 13433 1 38 . 1 1 60 60 HIS CB C 60 28.825 28.825 30.148 -1.323 18224 13434 1 38 . 1 1 60 60 HIS H H 60 8.328 8.328 8.422 -0.094 18224 13435 1 38 . 1 1 61 61 HIS N N 61 118.101 118.101 124.195 -6.094 18224 13436 1 38 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.337 0.353 18224 13437 1 38 . 1 1 61 61 HIS C C 61 174.032 174.032 175.334 -1.302 18224 13438 1 38 . 1 1 61 61 HIS CA C 61 55.718 55.718 57.868 -2.150 18224 13439 1 38 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.829 -0.934 18224 13440 1 38 . 1 1 61 61 HIS H H 61 8.351 8.351 8.423 -0.072 18224 13441 1 38 . 1 1 62 62 HIS N N 62 118.704 118.704 121.708 -3.004 18224 13442 1 38 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.657 0.044 18224 13443 1 38 . 1 1 62 62 HIS C C 62 173.803 173.803 174.579 -0.776 18224 13444 1 38 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.112 -0.508 18224 13445 1 38 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.900 -1.737 18224 13446 1 38 . 1 1 62 62 HIS H H 62 8.381 8.381 8.607 -0.226 18224 13447 1 38 . 1 1 63 63 HIS N N 63 118.853 118.853 119.590 -0.737 18224 13448 1 38 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.048 0.633 18224 13449 1 38 . 1 1 63 63 HIS C C 63 173.576 173.576 173.990 -0.414 18224 13450 1 38 . 1 1 63 63 HIS CA C 63 55.698 55.698 57.226 -1.528 18224 13451 1 38 . 1 1 63 63 HIS CB C 63 29.133 29.133 28.912 0.221 18224 13452 1 38 . 1 1 63 63 HIS H H 63 8.299 8.299 8.589 -0.290 18224 13453 1 39 . 1 1 2 2 GLU N N 2 122.762 122.762 121.367 1.395 18224 13454 1 39 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.210 0.228 18224 13455 1 39 . 1 1 2 2 GLU C C 2 175.581 175.581 175.424 0.157 18224 13456 1 39 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.959 -0.599 18224 13457 1 39 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.820 -0.237 18224 13458 1 39 . 1 1 2 2 GLU H H 2 8.628 8.628 8.406 0.222 18224 13459 1 39 . 1 1 3 3 GLU N N 3 121.071 121.071 121.304 -0.233 18224 13460 1 39 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.428 -0.047 18224 13461 1 39 . 1 1 3 3 GLU C C 3 176.457 176.457 175.349 1.108 18224 13462 1 39 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.549 -0.201 18224 13463 1 39 . 1 1 3 3 GLU CB C 3 29.199 29.199 30.176 -0.977 18224 13464 1 39 . 1 1 3 3 GLU H H 3 8.393 8.393 8.448 -0.055 18224 13465 1 39 . 1 1 4 4 GLY N N 4 109.717 109.717 111.234 -1.517 18224 13466 1 39 . 1 1 4 4 GLY C C 4 174.677 174.677 175.041 -0.364 18224 13467 1 39 . 1 1 4 4 GLY CA C 4 45.641 45.641 45.231 0.410 18224 13468 1 39 . 1 1 4 4 GLY H H 4 8.377 8.377 8.837 -0.460 18224 13469 1 39 . 1 1 5 5 GLY N N 5 108.373 108.373 108.390 -0.017 18224 13470 1 39 . 1 1 5 5 GLY C C 5 174.047 174.047 173.603 0.444 18224 13471 1 39 . 1 1 5 5 GLY CA C 5 45.572 45.572 44.722 0.850 18224 13472 1 39 . 1 1 5 5 GLY H H 5 8.115 8.115 7.876 0.239 18224 13473 1 39 . 1 1 6 6 ASP N N 6 118.996 118.996 118.548 0.448 18224 13474 1 39 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.558 0.091 18224 13475 1 39 . 1 1 6 6 ASP C C 6 175.903 175.903 174.832 1.071 18224 13476 1 39 . 1 1 6 6 ASP CA C 6 54.045 54.045 54.766 -0.721 18224 13477 1 39 . 1 1 6 6 ASP CB C 6 39.344 39.344 40.701 -1.357 18224 13478 1 39 . 1 1 6 6 ASP H H 6 8.166 8.166 8.014 0.152 18224 13479 1 39 . 1 1 7 7 PHE N N 7 119.750 119.750 120.305 -0.555 18224 13480 1 39 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.572 -0.022 18224 13481 1 39 . 1 1 7 7 PHE C C 7 175.919 175.919 175.001 0.918 18224 13482 1 39 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.781 1.151 18224 13483 1 39 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.991 -1.811 18224 13484 1 39 . 1 1 7 7 PHE H H 7 8.151 8.151 7.802 0.349 18224 13485 1 39 . 1 1 8 8 ASP N N 8 118.526 118.526 123.112 -4.586 18224 13486 1 39 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.367 0.131 18224 13487 1 39 . 1 1 8 8 ASP C C 8 175.787 175.787 174.625 1.162 18224 13488 1 39 . 1 1 8 8 ASP CA C 8 54.635 54.635 55.407 -0.772 18224 13489 1 39 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.813 -1.610 18224 13490 1 39 . 1 1 8 8 ASP H H 8 8.161 8.161 8.443 -0.282 18224 13491 1 39 . 1 1 9 9 ASN N N 9 117.291 117.291 116.109 1.182 18224 13492 1 39 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.723 -0.152 18224 13493 1 39 . 1 1 9 9 ASN C C 9 175.142 175.142 173.283 1.859 18224 13494 1 39 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.536 0.398 18224 13495 1 39 . 1 1 9 9 ASN CB C 9 38.792 38.792 39.291 -0.499 18224 13496 1 39 . 1 1 9 9 ASN H H 9 8.013 8.013 8.157 -0.144 18224 13497 1 39 . 1 1 10 10 TYR N N 10 119.112 119.112 119.097 0.015 18224 13498 1 39 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.553 -0.107 18224 13499 1 39 . 1 1 10 10 TYR C C 10 175.513 175.513 174.580 0.933 18224 13500 1 39 . 1 1 10 10 TYR CA C 10 58.974 58.974 57.334 1.640 18224 13501 1 39 . 1 1 10 10 TYR CB C 10 38.883 38.883 38.492 0.391 18224 13502 1 39 . 1 1 10 10 TYR H H 10 7.848 7.848 7.708 0.140 18224 13503 1 39 . 1 1 11 11 TYR N N 11 119.438 119.438 121.355 -1.917 18224 13504 1 39 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.421 0.086 18224 13505 1 39 . 1 1 11 11 TYR C C 11 175.939 175.939 177.770 -1.831 18224 13506 1 39 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.356 -0.059 18224 13507 1 39 . 1 1 11 11 TYR CB C 11 38.967 38.967 39.173 -0.206 18224 13508 1 39 . 1 1 11 11 TYR H H 11 7.849 7.849 8.258 -0.409 18224 13509 1 39 . 1 1 12 12 GLY N N 12 109.685 109.685 108.382 1.303 18224 13510 1 39 . 1 1 12 12 GLY C C 12 174.099 174.099 174.053 0.046 18224 13511 1 39 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.635 0.910 18224 13512 1 39 . 1 1 12 12 GLY H H 12 7.792 7.792 8.697 -0.905 18224 13513 1 39 . 1 1 13 13 ALA N N 13 123.072 123.072 126.077 -3.005 18224 13514 1 39 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.443 -0.168 18224 13515 1 39 . 1 1 13 13 ALA C C 13 177.669 177.669 176.995 0.674 18224 13516 1 39 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.433 1.537 18224 13517 1 39 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.437 0.853 18224 13518 1 39 . 1 1 13 13 ALA H H 13 7.880 7.880 7.835 0.045 18224 13519 1 39 . 1 1 14 14 ASP N N 14 117.540 117.540 122.277 -4.737 18224 13520 1 39 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.663 -0.014 18224 13521 1 39 . 1 1 14 14 ASP C C 14 175.649 175.649 175.318 0.331 18224 13522 1 39 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.911 -0.947 18224 13523 1 39 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.592 0.091 18224 13524 1 39 . 1 1 14 14 ASP H H 14 8.281 8.281 8.056 0.225 18224 13525 1 39 . 1 1 15 15 ASN N N 15 118.400 118.400 118.337 0.063 18224 13526 1 39 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.772 -0.086 18224 13527 1 39 . 1 1 15 15 ASN C C 15 175.351 175.351 175.440 -0.089 18224 13528 1 39 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.990 -0.382 18224 13529 1 39 . 1 1 15 15 ASN CB C 15 38.942 38.942 38.893 0.049 18224 13530 1 39 . 1 1 15 15 ASN H H 15 8.137 8.137 7.798 0.339 18224 13531 1 39 . 1 1 16 16 GLN N N 16 120.072 120.072 119.936 0.136 18224 13532 1 39 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.267 0.093 18224 13533 1 39 . 1 1 16 16 GLN C C 16 176.206 176.206 176.117 0.089 18224 13534 1 39 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.300 0.102 18224 13535 1 39 . 1 1 16 16 GLN CB C 16 29.169 29.169 28.201 0.968 18224 13536 1 39 . 1 1 16 16 GLN H H 16 8.284 8.284 8.658 -0.374 18224 13537 1 39 . 1 1 17 17 SER N N 17 116.112 116.112 115.047 1.065 18224 13538 1 39 . 1 1 17 17 SER HA H 17 4.440 4.440 4.135 0.305 18224 13539 1 39 . 1 1 17 17 SER C C 17 174.568 174.568 173.394 1.174 18224 13540 1 39 . 1 1 17 17 SER CA C 17 58.911 58.911 58.990 -0.079 18224 13541 1 39 . 1 1 17 17 SER CB C 17 63.897 63.897 63.537 0.360 18224 13542 1 39 . 1 1 17 17 SER H H 17 8.211 8.211 7.814 0.397 18224 13543 1 39 . 1 1 18 18 GLU N N 18 121.378 121.378 121.453 -0.075 18224 13544 1 39 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.590 -0.211 18224 13545 1 39 . 1 1 18 18 GLU C C 18 175.934 175.934 175.584 0.350 18224 13546 1 39 . 1 1 18 18 GLU CA C 18 56.406 56.406 55.875 0.531 18224 13547 1 39 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.770 -1.637 18224 13548 1 39 . 1 1 18 18 GLU H H 18 8.262 8.262 8.491 -0.229 18224 13549 1 39 . 1 1 19 19 CYS N N 19 119.418 119.418 118.263 1.155 18224 13550 1 39 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.868 -0.424 18224 13551 1 39 . 1 1 19 19 CYS C C 19 174.568 174.568 173.871 0.697 18224 13552 1 39 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.047 0.792 18224 13553 1 39 . 1 1 19 19 CYS CB C 19 27.973 27.973 30.537 -2.564 18224 13554 1 39 . 1 1 19 19 CYS H H 19 8.182 8.182 8.123 0.059 18224 13555 1 39 . 1 1 20 20 GLU N N 20 122.737 122.737 118.021 4.716 18224 13556 1 39 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.853 0.454 18224 13557 1 39 . 1 1 20 20 GLU C C 20 176.083 176.083 175.882 0.201 18224 13558 1 39 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.165 -1.625 18224 13559 1 39 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.306 -0.440 18224 13560 1 39 . 1 1 20 20 GLU H H 20 8.303 8.303 8.840 -0.537 18224 13561 1 39 . 1 1 21 21 TYR N N 21 119.549 119.549 113.367 6.182 18224 13562 1 39 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.305 0.169 18224 13563 1 39 . 1 1 21 21 TYR C C 21 175.826 175.826 173.933 1.893 18224 13564 1 39 . 1 1 21 21 TYR CA C 21 58.671 58.671 58.169 0.503 18224 13565 1 39 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.564 1.025 18224 13566 1 39 . 1 1 21 21 TYR H H 21 7.888 7.888 8.112 -0.224 18224 13567 1 39 . 1 1 22 22 THR N N 22 112.218 112.218 113.764 -1.546 18224 13568 1 39 . 1 1 22 22 THR HA H 22 4.163 4.163 3.336 0.827 18224 13569 1 39 . 1 1 22 22 THR C C 22 174.737 174.737 174.230 0.507 18224 13570 1 39 . 1 1 22 22 THR CA C 22 62.778 62.778 64.505 -1.727 18224 13571 1 39 . 1 1 22 22 THR CB C 22 69.531 69.531 68.913 0.618 18224 13572 1 39 . 1 1 22 22 THR H H 22 7.683 7.683 7.051 0.632 18224 13573 1 39 . 1 1 23 23 ASP N N 23 121.090 121.090 120.510 0.580 18224 13574 1 39 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.737 -0.026 18224 13575 1 39 . 1 1 23 23 ASP C C 23 176.279 176.279 176.551 -0.272 18224 13576 1 39 . 1 1 23 23 ASP CA C 23 54.110 54.110 52.414 1.696 18224 13577 1 39 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.687 -1.349 18224 13578 1 39 . 1 1 23 23 ASP H H 23 8.059 8.059 7.414 0.645 18224 13579 1 39 . 1 1 24 24 TRP N N 24 121.546 121.546 119.814 1.732 18224 13580 1 39 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.301 0.185 18224 13581 1 39 . 1 1 24 24 TRP C C 24 177.051 177.051 177.066 -0.015 18224 13582 1 39 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.760 1.069 18224 13583 1 39 . 1 1 24 24 TRP CB C 24 29.068 29.068 27.690 1.378 18224 13584 1 39 . 1 1 24 24 TRP H H 24 7.888 7.888 7.302 0.586 18224 13585 1 39 . 1 1 25 25 LYS N N 25 120.106 120.106 120.340 -0.234 18224 13586 1 39 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.018 -0.028 18224 13587 1 39 . 1 1 25 25 LYS C C 25 176.764 176.764 177.659 -0.895 18224 13588 1 39 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.733 -0.011 18224 13589 1 39 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.745 0.556 18224 13590 1 39 . 1 1 25 25 LYS H H 25 7.620 7.620 8.148 -0.528 18224 13591 1 39 . 1 1 26 26 SER N N 26 114.114 114.114 116.435 -2.321 18224 13592 1 39 . 1 1 26 26 SER HA H 26 4.471 4.471 4.308 0.163 18224 13593 1 39 . 1 1 26 26 SER C C 26 175.124 175.124 173.805 1.319 18224 13594 1 39 . 1 1 26 26 SER CA C 26 58.757 58.757 59.061 -0.304 18224 13595 1 39 . 1 1 26 26 SER CB C 26 63.812 63.812 62.347 1.465 18224 13596 1 39 . 1 1 26 26 SER H H 26 7.796 7.796 8.442 -0.646 18224 13597 1 39 . 1 1 27 27 SER N N 27 116.655 116.655 109.129 7.526 18224 13598 1 39 . 1 1 27 27 SER HA H 27 4.386 4.386 4.188 0.198 18224 13599 1 39 . 1 1 27 27 SER C C 27 175.505 175.505 176.271 -0.766 18224 13600 1 39 . 1 1 27 27 SER CA C 27 59.611 59.611 60.123 -0.512 18224 13601 1 39 . 1 1 27 27 SER CB C 27 64.117 64.117 62.048 2.069 18224 13602 1 39 . 1 1 27 27 SER H H 27 8.046 8.046 8.475 -0.429 18224 13603 1 39 . 1 1 28 28 GLY N N 28 111.049 111.049 109.776 1.273 18224 13604 1 39 . 1 1 28 28 GLY C C 28 174.495 174.495 174.820 -0.325 18224 13605 1 39 . 1 1 28 28 GLY CA C 28 46.121 46.121 46.386 -0.265 18224 13606 1 39 . 1 1 28 28 GLY H H 28 8.304 8.304 7.963 0.341 18224 13607 1 39 . 1 1 29 29 ALA N N 29 121.693 121.693 122.257 -0.564 18224 13608 1 39 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.399 -0.050 18224 13609 1 39 . 1 1 29 29 ALA C C 29 177.695 177.695 177.201 0.494 18224 13610 1 39 . 1 1 29 29 ALA CA C 29 53.111 53.111 53.206 -0.095 18224 13611 1 39 . 1 1 29 29 ALA CB C 29 19.964 19.964 17.862 2.102 18224 13612 1 39 . 1 1 29 29 ALA H H 29 7.941 7.941 8.398 -0.457 18224 13613 1 39 . 1 1 30 30 LEU N N 30 117.996 117.996 118.017 -0.021 18224 13614 1 39 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.398 -0.216 18224 13615 1 39 . 1 1 30 30 LEU C C 30 177.484 177.484 178.911 -1.427 18224 13616 1 39 . 1 1 30 30 LEU CA C 30 57.970 57.970 56.026 1.944 18224 13617 1 39 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.833 -0.411 18224 13618 1 39 . 1 1 30 30 LEU H H 30 7.968 7.968 7.612 0.356 18224 13619 1 39 . 1 1 31 31 ILE N N 31 117.106 117.106 121.749 -4.643 18224 13620 1 39 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.049 -0.110 18224 13621 1 39 . 1 1 31 31 ILE C C 31 174.998 174.998 175.247 -0.249 18224 13622 1 39 . 1 1 31 31 ILE CA C 31 65.922 65.922 65.595 0.327 18224 13623 1 39 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.075 0.033 18224 13624 1 39 . 1 1 31 31 ILE H H 31 8.027 8.027 7.498 0.529 18224 13625 1 39 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.426 -0.142 18224 13626 1 39 . 1 1 32 32 PRO C C 32 178.663 178.663 177.129 1.534 18224 13627 1 39 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.622 0.371 18224 13628 1 39 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.802 0.254 18224 13629 1 39 . 1 1 33 33 ALA N N 33 119.031 119.031 117.641 1.390 18224 13630 1 39 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.371 -0.205 18224 13631 1 39 . 1 1 33 33 ALA C C 33 178.942 178.942 177.973 0.969 18224 13632 1 39 . 1 1 33 33 ALA CA C 33 55.540 55.540 53.227 2.313 18224 13633 1 39 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.648 -0.162 18224 13634 1 39 . 1 1 33 33 ALA H H 33 7.580 7.580 7.406 0.174 18224 13635 1 39 . 1 1 34 34 ILE N N 34 117.923 117.923 115.765 2.158 18224 13636 1 39 . 1 1 34 34 ILE HA H 34 3.699 3.699 4.149 -0.450 18224 13637 1 39 . 1 1 34 34 ILE C C 34 177.833 177.833 176.771 1.062 18224 13638 1 39 . 1 1 34 34 ILE CA C 34 65.112 65.112 62.195 2.917 18224 13639 1 39 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.813 -1.462 18224 13640 1 39 . 1 1 34 34 ILE H H 34 8.234 8.234 8.049 0.185 18224 13641 1 39 . 1 1 35 35 TYR N N 35 118.746 118.746 122.058 -3.312 18224 13642 1 39 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.045 0.070 18224 13643 1 39 . 1 1 35 35 TYR C C 35 178.044 178.044 177.474 0.570 18224 13644 1 39 . 1 1 35 35 TYR CA C 35 61.758 61.758 63.115 -1.357 18224 13645 1 39 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.629 -0.614 18224 13646 1 39 . 1 1 35 35 TYR H H 35 8.355 8.355 7.634 0.721 18224 13647 1 39 . 1 1 36 36 MET N N 36 117.813 117.813 117.680 0.133 18224 13648 1 39 . 1 1 36 36 MET HA H 36 4.281 4.281 4.316 -0.035 18224 13649 1 39 . 1 1 36 36 MET C C 36 178.139 178.139 177.975 0.164 18224 13650 1 39 . 1 1 36 36 MET CA C 36 58.482 58.482 59.100 -0.618 18224 13651 1 39 . 1 1 36 36 MET CB C 36 31.716 31.716 32.117 -0.401 18224 13652 1 39 . 1 1 36 36 MET H H 36 8.107 8.107 8.038 0.069 18224 13653 1 39 . 1 1 37 37 LEU N N 37 120.311 120.311 120.073 0.238 18224 13654 1 39 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.259 -0.184 18224 13655 1 39 . 1 1 37 37 LEU C C 37 178.399 178.399 179.100 -0.701 18224 13656 1 39 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.583 0.887 18224 13657 1 39 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.469 0.484 18224 13658 1 39 . 1 1 37 37 LEU H H 37 8.229 8.229 7.307 0.922 18224 13659 1 39 . 1 1 38 38 VAL N N 38 118.080 118.080 118.279 -0.199 18224 13660 1 39 . 1 1 38 38 VAL HA H 38 3.525 3.525 3.499 0.026 18224 13661 1 39 . 1 1 38 38 VAL C C 38 178.139 178.139 177.967 0.172 18224 13662 1 39 . 1 1 38 38 VAL CA C 38 67.152 67.152 65.733 1.419 18224 13663 1 39 . 1 1 38 38 VAL CB C 38 31.450 31.450 30.725 0.725 18224 13664 1 39 . 1 1 38 38 VAL H H 38 8.363 8.363 7.494 0.869 18224 13665 1 39 . 1 1 39 39 PHE N N 39 120.151 120.151 120.784 -0.633 18224 13666 1 39 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.293 -0.070 18224 13667 1 39 . 1 1 39 39 PHE C C 39 178.544 178.544 178.099 0.445 18224 13668 1 39 . 1 1 39 39 PHE CA C 39 61.326 61.326 62.371 -1.045 18224 13669 1 39 . 1 1 39 39 PHE CB C 39 38.916 38.916 38.853 0.063 18224 13670 1 39 . 1 1 39 39 PHE H H 39 8.306 8.306 8.399 -0.093 18224 13671 1 39 . 1 1 40 40 LEU N N 40 121.004 121.004 117.516 3.488 18224 13672 1 39 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.307 -0.284 18224 13673 1 39 . 1 1 40 40 LEU C C 40 179.704 179.704 178.460 1.244 18224 13674 1 39 . 1 1 40 40 LEU CA C 40 57.938 57.938 57.995 -0.057 18224 13675 1 39 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.585 0.707 18224 13676 1 39 . 1 1 40 40 LEU H H 40 8.567 8.567 7.761 0.806 18224 13677 1 39 . 1 1 41 41 LEU N N 41 119.593 119.593 118.283 1.310 18224 13678 1 39 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.507 -0.446 18224 13679 1 39 . 1 1 41 41 LEU C C 41 178.966 178.966 177.158 1.808 18224 13680 1 39 . 1 1 41 41 LEU CA C 41 57.696 57.696 55.120 2.576 18224 13681 1 39 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.983 -0.191 18224 13682 1 39 . 1 1 41 41 LEU H H 41 8.503 8.503 7.774 0.729 18224 13683 1 39 . 1 1 42 42 GLY N N 42 105.838 105.838 106.170 -0.332 18224 13684 1 39 . 1 1 42 42 GLY C C 42 175.587 175.587 173.868 1.719 18224 13685 1 39 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.396 1.174 18224 13686 1 39 . 1 1 42 42 GLY H H 42 8.355 8.355 7.690 0.665 18224 13687 1 39 . 1 1 43 43 THR N N 43 112.333 112.333 114.864 -2.531 18224 13688 1 39 . 1 1 43 43 THR HA H 43 4.290 4.290 4.589 -0.299 18224 13689 1 39 . 1 1 43 43 THR C C 43 175.765 175.765 174.727 1.038 18224 13690 1 39 . 1 1 43 43 THR CA C 43 63.680 63.680 61.377 2.303 18224 13691 1 39 . 1 1 43 43 THR CB C 43 69.626 69.626 69.647 -0.021 18224 13692 1 39 . 1 1 43 43 THR H H 43 7.895 7.895 7.552 0.343 18224 13693 1 39 . 1 1 44 44 THR N N 44 112.041 112.041 113.892 -1.851 18224 13694 1 39 . 1 1 44 44 THR HA H 44 4.388 4.388 4.008 0.380 18224 13695 1 39 . 1 1 44 44 THR C C 44 175.555 175.555 174.289 1.266 18224 13696 1 39 . 1 1 44 44 THR CA C 44 62.732 62.732 64.158 -1.426 18224 13697 1 39 . 1 1 44 44 THR CB C 44 70.240 70.240 68.002 2.238 18224 13698 1 39 . 1 1 44 44 THR H H 44 7.684 7.684 8.334 -0.650 18224 13699 1 39 . 1 1 45 45 GLY N N 45 109.756 109.756 111.703 -1.947 18224 13700 1 39 . 1 1 45 45 GLY C C 45 174.948 174.948 172.834 2.114 18224 13701 1 39 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.541 0.811 18224 13702 1 39 . 1 1 45 45 GLY H H 45 8.058 8.058 8.294 -0.236 18224 13703 1 39 . 1 1 46 46 ASN N N 46 117.561 117.561 120.964 -3.403 18224 13704 1 39 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.986 -0.141 18224 13705 1 39 . 1 1 46 46 ASN C C 46 175.853 175.853 174.245 1.608 18224 13706 1 39 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.979 1.113 18224 13707 1 39 . 1 1 46 46 ASN CB C 46 39.513 39.513 40.210 -0.697 18224 13708 1 39 . 1 1 46 46 ASN H H 46 8.202 8.202 7.966 0.236 18224 13709 1 39 . 1 1 47 47 GLY N N 47 108.715 108.715 110.368 -1.653 18224 13710 1 39 . 1 1 47 47 GLY C C 47 174.431 174.431 174.714 -0.283 18224 13711 1 39 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.392 1.769 18224 13712 1 39 . 1 1 47 47 GLY H H 47 8.600 8.600 8.414 0.186 18224 13713 1 39 . 1 1 48 48 LEU N N 48 120.089 120.089 123.235 -3.146 18224 13714 1 39 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.479 -0.160 18224 13715 1 39 . 1 1 48 48 LEU C C 48 179.243 179.243 178.485 0.758 18224 13716 1 39 . 1 1 48 48 LEU CA C 48 57.316 57.316 56.805 0.511 18224 13717 1 39 . 1 1 48 48 LEU CB C 48 41.838 41.838 41.209 0.629 18224 13718 1 39 . 1 1 48 48 LEU H H 48 8.003 8.003 8.496 -0.493 18224 13719 1 39 . 1 1 49 49 VAL N N 49 120.573 120.573 117.206 3.367 18224 13720 1 39 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.851 -0.030 18224 13721 1 39 . 1 1 49 49 VAL C C 49 177.520 177.520 177.527 -0.007 18224 13722 1 39 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.964 0.098 18224 13723 1 39 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.007 0.481 18224 13724 1 39 . 1 1 49 49 VAL H H 49 7.910 7.910 8.008 -0.098 18224 13725 1 39 . 1 1 50 50 LEU N N 50 119.718 119.718 119.389 0.329 18224 13726 1 39 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.380 -0.353 18224 13727 1 39 . 1 1 50 50 LEU C C 50 178.169 178.169 178.792 -0.623 18224 13728 1 39 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.956 1.096 18224 13729 1 39 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.066 0.675 18224 13730 1 39 . 1 1 50 50 LEU H H 50 7.860 7.860 7.768 0.092 18224 13731 1 39 . 1 1 51 51 TRP N N 51 118.071 118.071 121.994 -3.923 18224 13732 1 39 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.254 0.288 18224 13733 1 39 . 1 1 51 51 TRP C C 51 177.296 177.296 178.062 -0.766 18224 13734 1 39 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.816 -0.898 18224 13735 1 39 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.307 1.668 18224 13736 1 39 . 1 1 51 51 TRP H H 51 8.109 8.109 7.912 0.197 18224 13737 1 39 . 1 1 52 52 THR N N 52 113.243 113.243 115.204 -1.961 18224 13738 1 39 . 1 1 52 52 THR HA H 52 3.773 3.773 3.569 0.204 18224 13739 1 39 . 1 1 52 52 THR C C 52 176.402 176.402 176.359 0.043 18224 13740 1 39 . 1 1 52 52 THR CA C 52 66.690 66.690 66.764 -0.074 18224 13741 1 39 . 1 1 52 52 THR CB C 52 68.921 68.921 68.591 0.330 18224 13742 1 39 . 1 1 52 52 THR H H 52 8.072 8.072 7.903 0.169 18224 13743 1 39 . 1 1 53 53 VAL N N 53 120.307 120.307 120.171 0.136 18224 13744 1 39 . 1 1 53 53 VAL HA H 53 3.663 3.663 4.000 -0.337 18224 13745 1 39 . 1 1 53 53 VAL C C 53 177.362 177.362 176.462 0.900 18224 13746 1 39 . 1 1 53 53 VAL CA C 53 66.292 66.292 63.469 2.822 18224 13747 1 39 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.413 0.304 18224 13748 1 39 . 1 1 53 53 VAL H H 53 8.006 8.006 8.156 -0.150 18224 13749 1 39 . 1 1 54 54 PHE N N 54 119.041 119.041 121.065 -2.024 18224 13750 1 39 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.437 -0.209 18224 13751 1 39 . 1 1 54 54 PHE C C 54 177.476 177.476 175.592 1.884 18224 13752 1 39 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.399 1.493 18224 13753 1 39 . 1 1 54 54 PHE CB C 54 38.596 38.596 41.009 -2.413 18224 13754 1 39 . 1 1 54 54 PHE H H 54 8.143 8.143 8.396 -0.253 18224 13755 1 39 . 1 1 55 55 ARG N N 55 117.543 117.543 118.991 -1.448 18224 13756 1 39 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.056 -0.193 18224 13757 1 39 . 1 1 55 55 ARG C C 55 177.832 177.832 177.844 -0.012 18224 13758 1 39 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.651 0.055 18224 13759 1 39 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.360 -0.884 18224 13760 1 39 . 1 1 55 55 ARG H H 55 8.112 8.112 7.911 0.201 18224 13761 1 39 . 1 1 56 56 LYS N N 56 118.390 118.390 118.956 -0.566 18224 13762 1 39 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.879 0.284 18224 13763 1 39 . 1 1 56 56 LYS C C 56 177.400 177.400 178.531 -1.131 18224 13764 1 39 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.817 -1.107 18224 13765 1 39 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.087 0.692 18224 13766 1 39 . 1 1 56 56 LYS H H 56 7.789 7.789 7.429 0.360 18224 13767 1 39 . 1 1 57 57 LYS N N 57 118.190 118.190 118.576 -0.386 18224 13768 1 39 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.077 0.182 18224 13769 1 39 . 1 1 57 57 LYS C C 57 176.791 176.791 176.598 0.193 18224 13770 1 39 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.861 0.564 18224 13771 1 39 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.296 2.527 18224 13772 1 39 . 1 1 57 57 LYS H H 57 7.821 7.821 8.295 -0.474 18224 13773 1 39 . 1 1 58 58 GLY N N 58 107.289 107.289 108.707 -1.418 18224 13774 1 39 . 1 1 58 58 GLY C C 58 173.607 173.607 174.044 -0.437 18224 13775 1 39 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.278 0.196 18224 13776 1 39 . 1 1 58 58 GLY H H 58 7.927 7.927 8.210 -0.283 18224 13777 1 39 . 1 1 59 59 HIS N N 59 116.847 116.847 117.691 -0.844 18224 13778 1 39 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.608 0.085 18224 13779 1 39 . 1 1 59 59 HIS C C 59 174.153 174.153 174.682 -0.529 18224 13780 1 39 . 1 1 59 59 HIS CA C 59 55.158 55.158 55.921 -0.763 18224 13781 1 39 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.542 -2.627 18224 13782 1 39 . 1 1 59 59 HIS H H 59 8.120 8.120 8.306 -0.186 18224 13783 1 39 . 1 1 60 60 HIS N N 60 118.028 118.028 118.752 -0.724 18224 13784 1 39 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.629 0.063 18224 13785 1 39 . 1 1 60 60 HIS C C 60 173.987 173.987 174.322 -0.335 18224 13786 1 39 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.032 -0.524 18224 13787 1 39 . 1 1 60 60 HIS CB C 60 28.825 28.825 31.259 -2.434 18224 13788 1 39 . 1 1 60 60 HIS H H 60 8.328 8.328 8.228 0.100 18224 13789 1 39 . 1 1 61 61 HIS N N 61 118.101 118.101 123.145 -5.044 18224 13790 1 39 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.333 0.357 18224 13791 1 39 . 1 1 61 61 HIS C C 61 174.032 174.032 174.559 -0.527 18224 13792 1 39 . 1 1 61 61 HIS CA C 61 55.718 55.718 55.758 -0.040 18224 13793 1 39 . 1 1 61 61 HIS CB C 61 28.895 28.895 28.352 0.542 18224 13794 1 39 . 1 1 61 61 HIS H H 61 8.351 8.351 8.035 0.316 18224 13795 1 39 . 1 1 62 62 HIS N N 62 118.704 118.704 124.345 -5.641 18224 13796 1 39 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.330 0.371 18224 13797 1 39 . 1 1 62 62 HIS C C 62 173.803 173.803 175.366 -1.563 18224 13798 1 39 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.770 -0.166 18224 13799 1 39 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.177 -1.014 18224 13800 1 39 . 1 1 62 62 HIS H H 62 8.381 8.381 7.900 0.481 18224 13801 1 39 . 1 1 63 63 HIS N N 63 118.853 118.853 125.442 -6.589 18224 13802 1 39 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.367 0.315 18224 13803 1 39 . 1 1 63 63 HIS C C 63 173.576 173.576 174.919 -1.343 18224 13804 1 39 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.403 -0.705 18224 13805 1 39 . 1 1 63 63 HIS CB C 63 29.133 29.133 30.199 -1.066 18224 13806 1 39 . 1 1 63 63 HIS H H 63 8.299 8.299 9.123 -0.824 18224 13807 1 40 . 1 1 2 2 GLU N N 2 122.762 122.762 121.869 0.893 18224 13808 1 40 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.105 0.333 18224 13809 1 40 . 1 1 2 2 GLU C C 2 175.581 175.581 175.359 0.222 18224 13810 1 40 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.514 -0.154 18224 13811 1 40 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.602 -0.020 18224 13812 1 40 . 1 1 2 2 GLU H H 2 8.628 8.628 8.208 0.420 18224 13813 1 40 . 1 1 3 3 GLU N N 3 121.071 121.071 120.267 0.804 18224 13814 1 40 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.171 0.210 18224 13815 1 40 . 1 1 3 3 GLU C C 3 176.457 176.457 176.117 0.340 18224 13816 1 40 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.534 -0.186 18224 13817 1 40 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.634 -0.435 18224 13818 1 40 . 1 1 3 3 GLU H H 3 8.393 8.393 8.600 -0.207 18224 13819 1 40 . 1 1 4 4 GLY N N 4 109.717 109.717 111.437 -1.720 18224 13820 1 40 . 1 1 4 4 GLY C C 4 174.677 174.677 174.205 0.472 18224 13821 1 40 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.899 0.742 18224 13822 1 40 . 1 1 4 4 GLY H H 4 8.377 8.377 8.455 -0.078 18224 13823 1 40 . 1 1 5 5 GLY N N 5 108.373 108.373 108.495 -0.122 18224 13824 1 40 . 1 1 5 5 GLY C C 5 174.047 174.047 173.115 0.932 18224 13825 1 40 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.444 0.128 18224 13826 1 40 . 1 1 5 5 GLY H H 5 8.115 8.115 8.285 -0.170 18224 13827 1 40 . 1 1 6 6 ASP N N 6 118.996 118.996 117.392 1.604 18224 13828 1 40 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.581 0.068 18224 13829 1 40 . 1 1 6 6 ASP C C 6 175.903 175.903 175.293 0.610 18224 13830 1 40 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.166 0.879 18224 13831 1 40 . 1 1 6 6 ASP CB C 6 39.344 39.344 42.965 -3.621 18224 13832 1 40 . 1 1 6 6 ASP H H 6 8.166 8.166 8.203 -0.037 18224 13833 1 40 . 1 1 7 7 PHE N N 7 119.750 119.750 120.740 -0.990 18224 13834 1 40 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.939 -0.389 18224 13835 1 40 . 1 1 7 7 PHE C C 7 175.919 175.919 175.898 0.021 18224 13836 1 40 . 1 1 7 7 PHE CA C 7 58.932 58.932 57.645 1.287 18224 13837 1 40 . 1 1 7 7 PHE CB C 7 39.180 39.180 39.637 -0.457 18224 13838 1 40 . 1 1 7 7 PHE H H 7 8.151 8.151 7.992 0.159 18224 13839 1 40 . 1 1 8 8 ASP N N 8 118.526 118.526 119.854 -1.328 18224 13840 1 40 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.764 -0.266 18224 13841 1 40 . 1 1 8 8 ASP C C 8 175.787 175.787 174.872 0.915 18224 13842 1 40 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.906 -0.271 18224 13843 1 40 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.625 -1.422 18224 13844 1 40 . 1 1 8 8 ASP H H 8 8.161 8.161 8.524 -0.363 18224 13845 1 40 . 1 1 9 9 ASN N N 9 117.291 117.291 117.951 -0.660 18224 13846 1 40 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.711 -0.140 18224 13847 1 40 . 1 1 9 9 ASN C C 9 175.142 175.142 174.193 0.949 18224 13848 1 40 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.957 -0.023 18224 13849 1 40 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.717 0.075 18224 13850 1 40 . 1 1 9 9 ASN H H 9 8.013 8.013 8.126 -0.113 18224 13851 1 40 . 1 1 10 10 TYR N N 10 119.112 119.112 123.903 -4.791 18224 13852 1 40 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.013 0.433 18224 13853 1 40 . 1 1 10 10 TYR C C 10 175.513 175.513 175.836 -0.323 18224 13854 1 40 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.334 0.640 18224 13855 1 40 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.529 1.354 18224 13856 1 40 . 1 1 10 10 TYR H H 10 7.848 7.848 8.076 -0.228 18224 13857 1 40 . 1 1 11 11 TYR N N 11 119.438 119.438 123.934 -4.496 18224 13858 1 40 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.192 0.315 18224 13859 1 40 . 1 1 11 11 TYR C C 11 175.939 175.939 175.924 0.015 18224 13860 1 40 . 1 1 11 11 TYR CA C 11 58.297 58.297 57.275 1.022 18224 13861 1 40 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.712 0.255 18224 13862 1 40 . 1 1 11 11 TYR H H 11 7.849 7.849 7.664 0.185 18224 13863 1 40 . 1 1 12 12 GLY N N 12 109.685 109.685 108.622 1.063 18224 13864 1 40 . 1 1 12 12 GLY C C 12 174.099 174.099 173.339 0.760 18224 13865 1 40 . 1 1 12 12 GLY CA C 12 45.545 45.545 45.553 -0.008 18224 13866 1 40 . 1 1 12 12 GLY H H 12 7.792 7.792 9.015 -1.223 18224 13867 1 40 . 1 1 13 13 ALA N N 13 123.072 123.072 123.628 -0.556 18224 13868 1 40 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.486 -0.211 18224 13869 1 40 . 1 1 13 13 ALA C C 13 177.669 177.669 176.661 1.008 18224 13870 1 40 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.676 1.294 18224 13871 1 40 . 1 1 13 13 ALA CB C 13 19.290 19.290 19.524 -0.234 18224 13872 1 40 . 1 1 13 13 ALA H H 13 7.880 7.880 8.118 -0.238 18224 13873 1 40 . 1 1 14 14 ASP N N 14 117.540 117.540 119.530 -1.990 18224 13874 1 40 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.656 -0.007 18224 13875 1 40 . 1 1 14 14 ASP C C 14 175.649 175.649 175.278 0.371 18224 13876 1 40 . 1 1 14 14 ASP CA C 14 53.964 53.964 53.416 0.548 18224 13877 1 40 . 1 1 14 14 ASP CB C 14 39.683 39.683 38.572 1.111 18224 13878 1 40 . 1 1 14 14 ASP H H 14 8.281 8.281 8.610 -0.329 18224 13879 1 40 . 1 1 15 15 ASN N N 15 118.400 118.400 118.160 0.240 18224 13880 1 40 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.785 -0.099 18224 13881 1 40 . 1 1 15 15 ASN C C 15 175.351 175.351 174.897 0.454 18224 13882 1 40 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.757 -0.149 18224 13883 1 40 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.323 -0.381 18224 13884 1 40 . 1 1 15 15 ASN H H 15 8.137 8.137 8.048 0.089 18224 13885 1 40 . 1 1 16 16 GLN N N 16 120.072 120.072 119.185 0.887 18224 13886 1 40 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.605 -0.245 18224 13887 1 40 . 1 1 16 16 GLN C C 16 176.206 176.206 175.319 0.887 18224 13888 1 40 . 1 1 16 16 GLN CA C 16 56.402 56.402 55.127 1.275 18224 13889 1 40 . 1 1 16 16 GLN CB C 16 29.169 29.169 26.619 2.550 18224 13890 1 40 . 1 1 16 16 GLN H H 16 8.284 8.284 8.504 -0.220 18224 13891 1 40 . 1 1 17 17 SER N N 17 116.112 116.112 118.383 -2.271 18224 13892 1 40 . 1 1 17 17 SER HA H 17 4.440 4.440 4.149 0.291 18224 13893 1 40 . 1 1 17 17 SER C C 17 174.568 174.568 174.016 0.552 18224 13894 1 40 . 1 1 17 17 SER CA C 17 58.911 58.911 59.478 -0.568 18224 13895 1 40 . 1 1 17 17 SER CB C 17 63.897 63.897 63.717 0.180 18224 13896 1 40 . 1 1 17 17 SER H H 17 8.211 8.211 7.931 0.280 18224 13897 1 40 . 1 1 18 18 GLU N N 18 121.378 121.378 124.942 -3.564 18224 13898 1 40 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.478 -0.099 18224 13899 1 40 . 1 1 18 18 GLU C C 18 175.934 175.934 174.795 1.139 18224 13900 1 40 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.175 0.231 18224 13901 1 40 . 1 1 18 18 GLU CB C 18 29.133 29.133 31.124 -1.991 18224 13902 1 40 . 1 1 18 18 GLU H H 18 8.262 8.262 8.755 -0.493 18224 13903 1 40 . 1 1 19 19 CYS N N 19 119.418 119.418 122.539 -3.121 18224 13904 1 40 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.817 -0.373 18224 13905 1 40 . 1 1 19 19 CYS C C 19 174.568 174.568 175.675 -1.107 18224 13906 1 40 . 1 1 19 19 CYS CA C 19 58.839 58.839 57.324 1.515 18224 13907 1 40 . 1 1 19 19 CYS CB C 19 27.973 27.973 31.387 -3.414 18224 13908 1 40 . 1 1 19 19 CYS H H 19 8.182 8.182 8.155 0.027 18224 13909 1 40 . 1 1 20 20 GLU N N 20 122.737 122.737 121.272 1.465 18224 13910 1 40 . 1 1 20 20 GLU HA H 20 4.307 4.307 3.882 0.425 18224 13911 1 40 . 1 1 20 20 GLU C C 20 176.083 176.083 176.384 -0.301 18224 13912 1 40 . 1 1 20 20 GLU CA C 20 56.540 56.540 58.940 -2.400 18224 13913 1 40 . 1 1 20 20 GLU CB C 20 28.866 28.866 28.180 0.686 18224 13914 1 40 . 1 1 20 20 GLU H H 20 8.303 8.303 8.891 -0.588 18224 13915 1 40 . 1 1 21 21 TYR N N 21 119.549 119.549 120.468 -0.919 18224 13916 1 40 . 1 1 21 21 TYR HA H 21 4.474 4.474 3.466 1.008 18224 13917 1 40 . 1 1 21 21 TYR C C 21 175.826 175.826 174.213 1.613 18224 13918 1 40 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.783 -1.112 18224 13919 1 40 . 1 1 21 21 TYR CB C 21 38.589 38.589 38.283 0.306 18224 13920 1 40 . 1 1 21 21 TYR H H 21 7.888 7.888 8.260 -0.372 18224 13921 1 40 . 1 1 22 22 THR N N 22 112.218 112.218 109.608 2.610 18224 13922 1 40 . 1 1 22 22 THR HA H 22 4.163 4.163 4.098 0.065 18224 13923 1 40 . 1 1 22 22 THR C C 22 174.737 174.737 173.359 1.378 18224 13924 1 40 . 1 1 22 22 THR CA C 22 62.778 62.778 61.955 0.823 18224 13925 1 40 . 1 1 22 22 THR CB C 22 69.531 69.531 69.168 0.363 18224 13926 1 40 . 1 1 22 22 THR H H 22 7.683 7.683 7.363 0.320 18224 13927 1 40 . 1 1 23 23 ASP N N 23 121.090 121.090 121.072 0.018 18224 13928 1 40 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.817 -0.106 18224 13929 1 40 . 1 1 23 23 ASP C C 23 176.279 176.279 175.858 0.421 18224 13930 1 40 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.571 0.539 18224 13931 1 40 . 1 1 23 23 ASP CB C 23 39.338 39.338 42.134 -2.796 18224 13932 1 40 . 1 1 23 23 ASP H H 23 8.059 8.059 7.213 0.846 18224 13933 1 40 . 1 1 24 24 TRP N N 24 121.546 121.546 121.553 -0.007 18224 13934 1 40 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.602 -0.116 18224 13935 1 40 . 1 1 24 24 TRP C C 24 177.051 177.051 176.106 0.945 18224 13936 1 40 . 1 1 24 24 TRP CA C 24 58.828 58.828 54.782 4.046 18224 13937 1 40 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.234 0.834 18224 13938 1 40 . 1 1 24 24 TRP H H 24 7.888 7.888 6.944 0.944 18224 13939 1 40 . 1 1 25 25 LYS N N 25 120.106 120.106 120.198 -0.092 18224 13940 1 40 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.042 -0.052 18224 13941 1 40 . 1 1 25 25 LYS C C 25 176.764 176.764 175.818 0.946 18224 13942 1 40 . 1 1 25 25 LYS CA C 25 57.722 57.722 57.782 -0.060 18224 13943 1 40 . 1 1 25 25 LYS CB C 25 32.301 32.301 30.424 1.877 18224 13944 1 40 . 1 1 25 25 LYS H H 25 7.620 7.620 8.319 -0.699 18224 13945 1 40 . 1 1 26 26 SER N N 26 114.114 114.114 118.651 -4.537 18224 13946 1 40 . 1 1 26 26 SER HA H 26 4.471 4.471 4.540 -0.069 18224 13947 1 40 . 1 1 26 26 SER C C 26 175.124 175.124 174.569 0.555 18224 13948 1 40 . 1 1 26 26 SER CA C 26 58.757 58.757 58.372 0.385 18224 13949 1 40 . 1 1 26 26 SER CB C 26 63.812 63.812 64.144 -0.332 18224 13950 1 40 . 1 1 26 26 SER H H 26 7.796 7.796 8.779 -0.983 18224 13951 1 40 . 1 1 27 27 SER N N 27 116.655 116.655 116.672 -0.017 18224 13952 1 40 . 1 1 27 27 SER HA H 27 4.386 4.386 4.196 0.190 18224 13953 1 40 . 1 1 27 27 SER C C 27 175.505 175.505 174.794 0.711 18224 13954 1 40 . 1 1 27 27 SER CA C 27 59.611 59.611 58.780 0.831 18224 13955 1 40 . 1 1 27 27 SER CB C 27 64.117 64.117 62.131 1.986 18224 13956 1 40 . 1 1 27 27 SER H H 27 8.046 8.046 8.597 -0.551 18224 13957 1 40 . 1 1 28 28 GLY N N 28 111.049 111.049 105.371 5.678 18224 13958 1 40 . 1 1 28 28 GLY C C 28 174.495 174.495 174.137 0.358 18224 13959 1 40 . 1 1 28 28 GLY CA C 28 46.121 46.121 44.953 1.168 18224 13960 1 40 . 1 1 28 28 GLY H H 28 8.304 8.304 8.507 -0.203 18224 13961 1 40 . 1 1 29 29 ALA N N 29 121.693 121.693 120.108 1.585 18224 13962 1 40 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.004 0.345 18224 13963 1 40 . 1 1 29 29 ALA C C 29 177.695 177.695 176.776 0.919 18224 13964 1 40 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.953 0.158 18224 13965 1 40 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.467 1.497 18224 13966 1 40 . 1 1 29 29 ALA H H 29 7.941 7.941 7.660 0.281 18224 13967 1 40 . 1 1 30 30 LEU N N 30 117.996 117.996 124.943 -6.947 18224 13968 1 40 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.206 -0.024 18224 13969 1 40 . 1 1 30 30 LEU C C 30 177.484 177.484 178.652 -1.168 18224 13970 1 40 . 1 1 30 30 LEU CA C 30 57.970 57.970 57.131 0.839 18224 13971 1 40 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.447 -0.025 18224 13972 1 40 . 1 1 30 30 LEU H H 30 7.968 7.968 8.490 -0.522 18224 13973 1 40 . 1 1 31 31 ILE N N 31 117.106 117.106 118.839 -1.733 18224 13974 1 40 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.218 -0.279 18224 13975 1 40 . 1 1 31 31 ILE C C 31 174.998 174.998 175.179 -0.181 18224 13976 1 40 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.580 2.342 18224 13977 1 40 . 1 1 31 31 ILE CB C 31 35.108 35.108 35.434 -0.326 18224 13978 1 40 . 1 1 31 31 ILE H H 31 8.027 8.027 8.158 -0.131 18224 13979 1 40 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.281 0.003 18224 13980 1 40 . 1 1 32 32 PRO C C 32 178.663 178.663 178.090 0.573 18224 13981 1 40 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.952 0.041 18224 13982 1 40 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.682 0.374 18224 13983 1 40 . 1 1 33 33 ALA N N 33 119.031 119.031 120.285 -1.254 18224 13984 1 40 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.130 0.036 18224 13985 1 40 . 1 1 33 33 ALA C C 33 178.942 178.942 179.747 -0.805 18224 13986 1 40 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.859 0.681 18224 13987 1 40 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.391 0.094 18224 13988 1 40 . 1 1 33 33 ALA H H 33 7.580 7.580 8.439 -0.859 18224 13989 1 40 . 1 1 34 34 ILE N N 34 117.923 117.923 118.437 -0.514 18224 13990 1 40 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.837 -0.138 18224 13991 1 40 . 1 1 34 34 ILE C C 34 177.833 177.833 177.720 0.113 18224 13992 1 40 . 1 1 34 34 ILE CA C 34 65.112 65.112 64.394 0.718 18224 13993 1 40 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.363 -1.012 18224 13994 1 40 . 1 1 34 34 ILE H H 34 8.234 8.234 7.506 0.728 18224 13995 1 40 . 1 1 35 35 TYR N N 35 118.746 118.746 120.141 -1.395 18224 13996 1 40 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.110 0.005 18224 13997 1 40 . 1 1 35 35 TYR C C 35 178.044 178.044 177.976 0.068 18224 13998 1 40 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.400 -0.642 18224 13999 1 40 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.666 -0.651 18224 14000 1 40 . 1 1 35 35 TYR H H 35 8.355 8.355 8.089 0.266 18224 14001 1 40 . 1 1 36 36 MET N N 36 117.813 117.813 117.697 0.116 18224 14002 1 40 . 1 1 36 36 MET HA H 36 4.281 4.281 4.326 -0.045 18224 14003 1 40 . 1 1 36 36 MET C C 36 178.139 178.139 178.751 -0.612 18224 14004 1 40 . 1 1 36 36 MET CA C 36 58.482 58.482 58.339 0.143 18224 14005 1 40 . 1 1 36 36 MET CB C 36 31.716 31.716 32.589 -0.873 18224 14006 1 40 . 1 1 36 36 MET H H 36 8.107 8.107 8.601 -0.494 18224 14007 1 40 . 1 1 37 37 LEU N N 37 120.311 120.311 119.558 0.753 18224 14008 1 40 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.048 0.027 18224 14009 1 40 . 1 1 37 37 LEU C C 37 178.399 178.399 178.322 0.077 18224 14010 1 40 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.447 1.023 18224 14011 1 40 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.739 0.214 18224 14012 1 40 . 1 1 37 37 LEU H H 37 8.229 8.229 7.703 0.526 18224 14013 1 40 . 1 1 38 38 VAL N N 38 118.080 118.080 116.017 2.063 18224 14014 1 40 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.024 -0.499 18224 14015 1 40 . 1 1 38 38 VAL C C 38 178.139 178.139 177.087 1.052 18224 14016 1 40 . 1 1 38 38 VAL CA C 38 67.152 67.152 64.281 2.871 18224 14017 1 40 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.531 -1.081 18224 14018 1 40 . 1 1 38 38 VAL H H 38 8.363 8.363 7.397 0.966 18224 14019 1 40 . 1 1 39 39 PHE N N 39 120.151 120.151 121.029 -0.878 18224 14020 1 40 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.395 -0.172 18224 14021 1 40 . 1 1 39 39 PHE C C 39 178.544 178.544 174.928 3.616 18224 14022 1 40 . 1 1 39 39 PHE CA C 39 61.326 61.326 59.340 1.986 18224 14023 1 40 . 1 1 39 39 PHE CB C 39 38.916 38.916 38.508 0.409 18224 14024 1 40 . 1 1 39 39 PHE H H 39 8.306 8.306 8.147 0.159 18224 14025 1 40 . 1 1 40 40 LEU N N 40 121.004 121.004 113.199 7.805 18224 14026 1 40 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.568 -0.545 18224 14027 1 40 . 1 1 40 40 LEU C C 40 179.704 179.704 176.159 3.545 18224 14028 1 40 . 1 1 40 40 LEU CA C 40 57.938 57.938 54.984 2.954 18224 14029 1 40 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.776 0.516 18224 14030 1 40 . 1 1 40 40 LEU H H 40 8.567 8.567 7.378 1.189 18224 14031 1 40 . 1 1 41 41 LEU N N 41 119.593 119.593 118.856 0.737 18224 14032 1 40 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.307 -0.246 18224 14033 1 40 . 1 1 41 41 LEU C C 41 178.966 178.966 177.842 1.124 18224 14034 1 40 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.568 1.128 18224 14035 1 40 . 1 1 41 41 LEU CB C 41 41.792 41.792 42.036 -0.244 18224 14036 1 40 . 1 1 41 41 LEU H H 41 8.503 8.503 7.286 1.217 18224 14037 1 40 . 1 1 42 42 GLY N N 42 105.838 105.838 104.186 1.652 18224 14038 1 40 . 1 1 42 42 GLY C C 42 175.587 175.587 174.391 1.196 18224 14039 1 40 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.472 1.098 18224 14040 1 40 . 1 1 42 42 GLY H H 42 8.355 8.355 7.905 0.450 18224 14041 1 40 . 1 1 43 43 THR N N 43 112.333 112.333 113.033 -0.700 18224 14042 1 40 . 1 1 43 43 THR HA H 43 4.290 4.290 4.335 -0.045 18224 14043 1 40 . 1 1 43 43 THR C C 43 175.765 175.765 175.327 0.438 18224 14044 1 40 . 1 1 43 43 THR CA C 43 63.680 63.680 61.267 2.413 18224 14045 1 40 . 1 1 43 43 THR CB C 43 69.626 69.626 69.386 0.240 18224 14046 1 40 . 1 1 43 43 THR H H 43 7.895 7.895 7.921 -0.027 18224 14047 1 40 . 1 1 44 44 THR N N 44 112.041 112.041 117.116 -5.075 18224 14048 1 40 . 1 1 44 44 THR HA H 44 4.388 4.388 4.264 0.124 18224 14049 1 40 . 1 1 44 44 THR C C 44 175.555 175.555 175.210 0.345 18224 14050 1 40 . 1 1 44 44 THR CA C 44 62.732 62.732 63.706 -0.974 18224 14051 1 40 . 1 1 44 44 THR CB C 44 70.240 70.240 69.148 1.092 18224 14052 1 40 . 1 1 44 44 THR H H 44 7.684 7.684 7.730 -0.046 18224 14053 1 40 . 1 1 45 45 GLY N N 45 109.756 109.756 109.432 0.324 18224 14054 1 40 . 1 1 45 45 GLY C C 45 174.948 174.948 172.960 1.988 18224 14055 1 40 . 1 1 45 45 GLY CA C 45 46.352 46.352 44.749 1.603 18224 14056 1 40 . 1 1 45 45 GLY H H 45 8.058 8.058 8.477 -0.419 18224 14057 1 40 . 1 1 46 46 ASN N N 46 117.561 117.561 117.565 -0.004 18224 14058 1 40 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.512 0.333 18224 14059 1 40 . 1 1 46 46 ASN C C 46 175.853 175.853 176.108 -0.255 18224 14060 1 40 . 1 1 46 46 ASN CA C 46 54.092 54.092 52.829 1.263 18224 14061 1 40 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.875 0.638 18224 14062 1 40 . 1 1 46 46 ASN H H 46 8.202 8.202 8.236 -0.034 18224 14063 1 40 . 1 1 47 47 GLY N N 47 108.715 108.715 110.560 -1.845 18224 14064 1 40 . 1 1 47 47 GLY C C 47 174.431 174.431 174.767 -0.336 18224 14065 1 40 . 1 1 47 47 GLY CA C 47 47.161 47.161 46.324 0.837 18224 14066 1 40 . 1 1 47 47 GLY H H 47 8.600 8.600 8.823 -0.223 18224 14067 1 40 . 1 1 48 48 LEU N N 48 120.089 120.089 120.347 -0.258 18224 14068 1 40 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.545 -0.226 18224 14069 1 40 . 1 1 48 48 LEU C C 48 179.243 179.243 178.048 1.195 18224 14070 1 40 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.926 1.390 18224 14071 1 40 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.303 -0.465 18224 14072 1 40 . 1 1 48 48 LEU H H 48 8.003 8.003 7.698 0.305 18224 14073 1 40 . 1 1 49 49 VAL N N 49 120.573 120.573 119.612 0.961 18224 14074 1 40 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.880 -0.059 18224 14075 1 40 . 1 1 49 49 VAL C C 49 177.520 177.520 177.935 -0.415 18224 14076 1 40 . 1 1 49 49 VAL CA C 49 66.062 66.062 66.187 -0.125 18224 14077 1 40 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.124 0.364 18224 14078 1 40 . 1 1 49 49 VAL H H 49 7.910 7.910 8.038 -0.128 18224 14079 1 40 . 1 1 50 50 LEU N N 50 119.718 119.718 118.904 0.814 18224 14080 1 40 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.157 -0.130 18224 14081 1 40 . 1 1 50 50 LEU C C 50 178.169 178.169 178.753 -0.584 18224 14082 1 40 . 1 1 50 50 LEU CA C 50 58.052 58.052 58.509 -0.457 18224 14083 1 40 . 1 1 50 50 LEU CB C 50 41.741 41.741 41.173 0.568 18224 14084 1 40 . 1 1 50 50 LEU H H 50 7.860 7.860 8.105 -0.245 18224 14085 1 40 . 1 1 51 51 TRP N N 51 118.071 118.071 120.128 -2.057 18224 14086 1 40 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.214 0.328 18224 14087 1 40 . 1 1 51 51 TRP C C 51 177.296 177.296 177.740 -0.444 18224 14088 1 40 . 1 1 51 51 TRP CA C 51 59.918 59.918 60.447 -0.529 18224 14089 1 40 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.484 1.491 18224 14090 1 40 . 1 1 51 51 TRP H H 51 8.109 8.109 8.097 0.012 18224 14091 1 40 . 1 1 52 52 THR N N 52 113.243 113.243 115.367 -2.124 18224 14092 1 40 . 1 1 52 52 THR HA H 52 3.773 3.773 3.560 0.213 18224 14093 1 40 . 1 1 52 52 THR C C 52 176.402 176.402 176.538 -0.136 18224 14094 1 40 . 1 1 52 52 THR CA C 52 66.690 66.690 66.748 -0.058 18224 14095 1 40 . 1 1 52 52 THR CB C 52 68.921 68.921 68.395 0.525 18224 14096 1 40 . 1 1 52 52 THR H H 52 8.072 8.072 7.855 0.217 18224 14097 1 40 . 1 1 53 53 VAL N N 53 120.307 120.307 120.938 -0.631 18224 14098 1 40 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.743 -0.080 18224 14099 1 40 . 1 1 53 53 VAL C C 53 177.362 177.362 177.972 -0.610 18224 14100 1 40 . 1 1 53 53 VAL CA C 53 66.292 66.292 64.849 1.443 18224 14101 1 40 . 1 1 53 53 VAL CB C 53 31.717 31.717 30.983 0.734 18224 14102 1 40 . 1 1 53 53 VAL H H 53 8.006 8.006 7.656 0.350 18224 14103 1 40 . 1 1 54 54 PHE N N 54 119.041 119.041 120.789 -1.748 18224 14104 1 40 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.076 0.152 18224 14105 1 40 . 1 1 54 54 PHE C C 54 177.476 177.476 177.561 -0.085 18224 14106 1 40 . 1 1 54 54 PHE CA C 54 60.892 60.892 61.509 -0.617 18224 14107 1 40 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.961 -0.365 18224 14108 1 40 . 1 1 54 54 PHE H H 54 8.143 8.143 8.938 -0.795 18224 14109 1 40 . 1 1 55 55 ARG N N 55 117.543 117.543 117.734 -0.191 18224 14110 1 40 . 1 1 55 55 ARG HA H 55 3.863 3.863 4.104 -0.241 18224 14111 1 40 . 1 1 55 55 ARG C C 55 177.832 177.832 178.012 -0.180 18224 14112 1 40 . 1 1 55 55 ARG CA C 55 57.706 57.706 58.204 -0.498 18224 14113 1 40 . 1 1 55 55 ARG CB C 55 29.476 29.476 29.703 -0.227 18224 14114 1 40 . 1 1 55 55 ARG H H 55 8.112 8.112 7.683 0.429 18224 14115 1 40 . 1 1 56 56 LYS N N 56 118.390 118.390 118.025 0.365 18224 14116 1 40 . 1 1 56 56 LYS HA H 56 4.163 4.163 4.078 0.085 18224 14117 1 40 . 1 1 56 56 LYS C C 56 177.400 177.400 176.607 0.793 18224 14118 1 40 . 1 1 56 56 LYS CA C 56 57.710 57.710 57.343 0.367 18224 14119 1 40 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.073 0.706 18224 14120 1 40 . 1 1 56 56 LYS H H 56 7.789 7.789 8.085 -0.296 18224 14121 1 40 . 1 1 57 57 LYS N N 57 118.190 118.190 117.393 0.797 18224 14122 1 40 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.502 -0.243 18224 14123 1 40 . 1 1 57 57 LYS C C 57 176.791 176.791 177.243 -0.452 18224 14124 1 40 . 1 1 57 57 LYS CA C 57 56.425 56.425 54.275 2.150 18224 14125 1 40 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.690 2.133 18224 14126 1 40 . 1 1 57 57 LYS H H 57 7.821 7.821 7.011 0.810 18224 14127 1 40 . 1 1 58 58 GLY N N 58 107.289 107.289 109.445 -2.156 18224 14128 1 40 . 1 1 58 58 GLY C C 58 173.607 173.607 173.725 -0.118 18224 14129 1 40 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.558 -0.084 18224 14130 1 40 . 1 1 58 58 GLY H H 58 7.927 7.927 8.459 -0.532 18224 14131 1 40 . 1 1 59 59 HIS N N 59 116.847 116.847 119.960 -3.113 18224 14132 1 40 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.564 0.129 18224 14133 1 40 . 1 1 59 59 HIS C C 59 174.153 174.153 175.387 -1.234 18224 14134 1 40 . 1 1 59 59 HIS CA C 59 55.158 55.158 55.956 -0.798 18224 14135 1 40 . 1 1 59 59 HIS CB C 59 28.915 28.915 31.365 -2.450 18224 14136 1 40 . 1 1 59 59 HIS H H 59 8.120 8.120 8.350 -0.230 18224 14137 1 40 . 1 1 60 60 HIS N N 60 118.028 118.028 119.153 -1.125 18224 14138 1 40 . 1 1 60 60 HIS HA H 60 4.692 4.692 3.954 0.738 18224 14139 1 40 . 1 1 60 60 HIS C C 60 173.987 173.987 175.938 -1.951 18224 14140 1 40 . 1 1 60 60 HIS CA C 60 55.508 55.508 57.893 -2.385 18224 14141 1 40 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.062 -0.237 18224 14142 1 40 . 1 1 60 60 HIS H H 60 8.328 8.328 8.494 -0.166 18224 14143 1 40 . 1 1 61 61 HIS N N 61 118.101 118.101 117.198 0.903 18224 14144 1 40 . 1 1 61 61 HIS HA H 61 4.690 4.690 3.892 0.798 18224 14145 1 40 . 1 1 61 61 HIS C C 61 174.032 174.032 175.227 -1.195 18224 14146 1 40 . 1 1 61 61 HIS CA C 61 55.718 55.718 57.829 -2.111 18224 14147 1 40 . 1 1 61 61 HIS CB C 61 28.895 28.895 29.428 -0.533 18224 14148 1 40 . 1 1 61 61 HIS H H 61 8.351 8.351 8.458 -0.107 18224 14149 1 40 . 1 1 62 62 HIS N N 62 118.704 118.704 114.542 4.162 18224 14150 1 40 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.560 0.141 18224 14151 1 40 . 1 1 62 62 HIS C C 62 173.803 173.803 174.119 -0.316 18224 14152 1 40 . 1 1 62 62 HIS CA C 62 55.604 55.604 55.419 0.185 18224 14153 1 40 . 1 1 62 62 HIS CB C 62 29.163 29.163 32.243 -3.080 18224 14154 1 40 . 1 1 62 62 HIS H H 62 8.381 8.381 8.131 0.250 18224 14155 1 40 . 1 1 63 63 HIS N N 63 118.853 118.853 120.199 -1.346 18224 14156 1 40 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.470 0.211 18224 14157 1 40 . 1 1 63 63 HIS C C 63 173.576 173.576 176.047 -2.471 18224 14158 1 40 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.523 -0.825 18224 14159 1 40 . 1 1 63 63 HIS CB C 63 29.133 29.133 28.110 1.023 18224 14160 1 40 . 1 1 63 63 HIS H H 63 8.299 8.299 8.232 0.067 18224 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 61 2.398 0.612 2.338 18224 2 1 1 "Average Difference" HA 64 0.271 -0.044 0.270 18224 3 1 1 "Average Difference" C 62 1.017 -0.416 0.936 18224 4 1 1 "Average Difference" CA 62 1.156 -0.392 1.096 18224 5 1 1 "Average Difference" CB 54 1.249 0.103 1.256 18224 6 1 1 "Average Difference" HN 61 0.482 -0.087 0.478 18224 7 1 2 "Average Difference" N 61 2.696 0.824 2.589 18224 8 1 2 "Average Difference" HA 64 0.270 0.001 0.272 18224 9 1 2 "Average Difference" C 62 1.109 -0.265 1.086 18224 10 1 2 "Average Difference" CA 62 1.274 -0.493 1.184 18224 11 1 2 "Average Difference" CB 54 1.261 0.203 1.257 18224 12 1 2 "Average Difference" HN 61 0.468 -0.052 0.469 18224 13 1 3 "Average Difference" N 61 2.363 0.527 2.323 18224 14 1 3 "Average Difference" HA 64 0.297 -0.039 0.296 18224 15 1 3 "Average Difference" C 62 0.948 -0.232 0.926 18224 16 1 3 "Average Difference" CA 62 1.020 -0.283 0.988 18224 17 1 3 "Average Difference" CB 54 1.206 0.072 1.216 18224 18 1 3 "Average Difference" HN 61 0.470 -0.058 0.470 18224 19 1 4 "Average Difference" N 61 2.657 0.355 2.655 18224 20 1 4 "Average Difference" HA 64 0.337 -0.004 0.340 18224 21 1 4 "Average Difference" C 62 1.141 -0.545 1.011 18224 22 1 4 "Average Difference" CA 62 1.271 -0.567 1.147 18224 23 1 4 "Average Difference" CB 54 1.211 0.115 1.217 18224 24 1 4 "Average Difference" HN 61 0.514 -0.089 0.511 18224 25 1 5 "Average Difference" N 61 2.829 0.542 2.800 18224 26 1 5 "Average Difference" HA 64 0.251 -0.049 0.248 18224 27 1 5 "Average Difference" C 62 1.008 -0.302 0.970 18224 28 1 5 "Average Difference" CA 62 0.990 -0.454 0.887 18224 29 1 5 "Average Difference" CB 54 1.359 0.074 1.370 18224 30 1 5 "Average Difference" HN 61 0.476 -0.048 0.477 18224 31 1 6 "Average Difference" N 61 2.586 0.627 2.530 18224 32 1 6 "Average Difference" HA 64 0.309 -0.035 0.310 18224 33 1 6 "Average Difference" C 62 1.087 -0.225 1.072 18224 34 1 6 "Average Difference" CA 62 1.523 -0.446 1.468 18224 35 1 6 "Average Difference" CB 54 1.157 0.033 1.168 18224 36 1 6 "Average Difference" HN 61 0.510 -0.118 0.500 18224 37 1 7 "Average Difference" N 61 2.777 0.546 2.746 18224 38 1 7 "Average Difference" HA 64 0.263 -0.006 0.265 18224 39 1 7 "Average Difference" C 62 1.178 -0.381 1.124 18224 40 1 7 "Average Difference" CA 62 1.190 -0.515 1.082 18224 41 1 7 "Average Difference" CB 54 1.169 0.040 1.180 18224 42 1 7 "Average Difference" HN 61 0.432 -0.034 0.434 18224 43 1 8 "Average Difference" N 61 2.545 0.892 2.403 18224 44 1 8 "Average Difference" HA 64 0.267 -0.051 0.264 18224 45 1 8 "Average Difference" C 62 1.188 -0.351 1.144 18224 46 1 8 "Average Difference" CA 62 1.186 -0.337 1.147 18224 47 1 8 "Average Difference" CB 54 1.184 -0.012 1.195 18224 48 1 8 "Average Difference" HN 61 0.450 -0.056 0.450 18224 49 1 9 "Average Difference" N 61 2.300 0.704 2.208 18224 50 1 9 "Average Difference" HA 64 0.282 0.001 0.284 18224 51 1 9 "Average Difference" C 62 1.027 -0.416 0.947 18224 52 1 9 "Average Difference" CA 62 1.479 -0.404 1.434 18224 53 1 9 "Average Difference" CB 54 1.214 -0.031 1.225 18224 54 1 9 "Average Difference" HN 61 0.396 -0.092 0.388 18224 55 1 10 "Average Difference" N 61 2.736 0.635 2.683 18224 56 1 10 "Average Difference" HA 64 0.281 -0.041 0.280 18224 57 1 10 "Average Difference" C 62 1.015 -0.399 0.941 18224 58 1 10 "Average Difference" CA 62 1.218 -0.497 1.122 18224 59 1 10 "Average Difference" CB 54 1.202 0.001 1.214 18224 60 1 10 "Average Difference" HN 61 0.390 -0.100 0.380 18224 61 1 11 "Average Difference" N 61 1.883 0.051 1.898 18224 62 1 11 "Average Difference" HA 64 0.325 -0.014 0.327 18224 63 1 11 "Average Difference" C 62 1.031 -0.385 0.964 18224 64 1 11 "Average Difference" CA 62 1.312 -0.468 1.235 18224 65 1 11 "Average Difference" CB 54 1.186 0.051 1.196 18224 66 1 11 "Average Difference" HN 61 0.490 -0.075 0.489 18224 67 1 12 "Average Difference" N 61 2.552 0.361 2.548 18224 68 1 12 "Average Difference" HA 64 0.301 -0.001 0.303 18224 69 1 12 "Average Difference" C 62 1.189 -0.400 1.129 18224 70 1 12 "Average Difference" CA 62 1.372 -0.547 1.269 18224 71 1 12 "Average Difference" CB 54 1.158 0.141 1.161 18224 72 1 12 "Average Difference" HN 61 0.426 -0.009 0.430 18224 73 1 13 "Average Difference" N 61 2.134 0.017 2.152 18224 74 1 13 "Average Difference" HA 64 0.269 -0.076 0.260 18224 75 1 13 "Average Difference" C 62 1.094 -0.404 1.025 18224 76 1 13 "Average Difference" CA 62 1.208 -0.397 1.150 18224 77 1 13 "Average Difference" CB 54 1.212 0.087 1.220 18224 78 1 13 "Average Difference" HN 61 0.481 -0.155 0.459 18224 79 1 14 "Average Difference" N 61 2.695 0.873 2.571 18224 80 1 14 "Average Difference" HA 64 0.250 0.009 0.252 18224 81 1 14 "Average Difference" C 62 1.053 -0.352 1.000 18224 82 1 14 "Average Difference" CA 62 1.148 -0.507 1.038 18224 83 1 14 "Average Difference" CB 54 1.363 0.190 1.363 18224 84 1 14 "Average Difference" HN 61 0.453 -0.029 0.456 18224 85 1 15 "Average Difference" N 61 2.337 0.300 2.337 18224 86 1 15 "Average Difference" HA 64 0.231 0.007 0.233 18224 87 1 15 "Average Difference" C 62 1.083 -0.337 1.038 18224 88 1 15 "Average Difference" CA 62 1.148 -0.430 1.073 18224 89 1 15 "Average Difference" CB 54 1.174 0.156 1.174 18224 90 1 15 "Average Difference" HN 61 0.454 -0.047 0.455 18224 91 1 16 "Average Difference" N 61 2.256 0.416 2.236 18224 92 1 16 "Average Difference" HA 64 0.274 -0.045 0.273 18224 93 1 16 "Average Difference" C 62 0.966 -0.265 0.937 18224 94 1 16 "Average Difference" CA 62 1.197 -0.498 1.097 18224 95 1 16 "Average Difference" CB 54 1.132 -0.043 1.141 18224 96 1 16 "Average Difference" HN 61 0.474 -0.088 0.469 18224 97 1 17 "Average Difference" N 61 2.172 -0.041 2.189 18224 98 1 17 "Average Difference" HA 64 0.303 -0.034 0.303 18224 99 1 17 "Average Difference" C 62 1.084 -0.326 1.042 18224 100 1 17 "Average Difference" CA 62 1.133 -0.448 1.049 18224 101 1 17 "Average Difference" CB 54 1.407 0.102 1.416 18224 102 1 17 "Average Difference" HN 61 0.476 -0.045 0.478 18224 103 1 18 "Average Difference" N 61 2.591 0.446 2.573 18224 104 1 18 "Average Difference" HA 64 0.289 -0.044 0.288 18224 105 1 18 "Average Difference" C 62 1.139 -0.461 1.049 18224 106 1 18 "Average Difference" CA 62 1.346 -0.555 1.236 18224 107 1 18 "Average Difference" CB 54 1.100 0.058 1.109 18224 108 1 18 "Average Difference" HN 61 0.437 -0.072 0.434 18224 109 1 19 "Average Difference" N 61 2.232 0.317 2.227 18224 110 1 19 "Average Difference" HA 64 0.278 -0.016 0.280 18224 111 1 19 "Average Difference" C 62 1.028 -0.386 0.961 18224 112 1 19 "Average Difference" CA 62 1.280 -0.408 1.223 18224 113 1 19 "Average Difference" CB 54 1.350 0.102 1.358 18224 114 1 19 "Average Difference" HN 61 0.460 -0.050 0.461 18224 115 1 20 "Average Difference" N 61 2.284 0.313 2.281 18224 116 1 20 "Average Difference" HA 64 0.308 -0.035 0.309 18224 117 1 20 "Average Difference" C 62 1.175 -0.399 1.114 18224 118 1 20 "Average Difference" CA 62 1.294 -0.548 1.182 18224 119 1 20 "Average Difference" CB 54 1.109 0.088 1.116 18224 120 1 20 "Average Difference" HN 61 0.520 -0.170 0.495 18224 121 1 21 "Average Difference" N 61 2.369 0.793 2.251 18224 122 1 21 "Average Difference" HA 64 0.308 -0.047 0.307 18224 123 1 21 "Average Difference" C 62 1.198 -0.271 1.176 18224 124 1 21 "Average Difference" CA 62 1.435 -0.350 1.402 18224 125 1 21 "Average Difference" CB 54 1.411 0.141 1.417 18224 126 1 21 "Average Difference" HN 61 0.519 -0.146 0.502 18224 127 1 22 "Average Difference" N 61 2.710 0.285 2.717 18224 128 1 22 "Average Difference" HA 64 0.238 -0.013 0.240 18224 129 1 22 "Average Difference" C 62 1.064 -0.322 1.022 18224 130 1 22 "Average Difference" CA 62 1.346 -0.445 1.280 18224 131 1 22 "Average Difference" CB 54 1.292 -0.072 1.302 18224 132 1 22 "Average Difference" HN 61 0.407 -0.023 0.410 18224 133 1 23 "Average Difference" N 61 2.276 0.128 2.291 18224 134 1 23 "Average Difference" HA 64 0.323 0.009 0.326 18224 135 1 23 "Average Difference" C 62 1.195 -0.569 1.060 18224 136 1 23 "Average Difference" CA 62 1.472 -0.778 1.259 18224 137 1 23 "Average Difference" CB 54 1.282 0.160 1.284 18224 138 1 23 "Average Difference" HN 61 0.535 -0.150 0.518 18224 139 1 24 "Average Difference" N 61 2.967 0.762 2.891 18224 140 1 24 "Average Difference" HA 64 0.263 -0.029 0.263 18224 141 1 24 "Average Difference" C 62 0.958 -0.139 0.956 18224 142 1 24 "Average Difference" CA 62 1.339 -0.384 1.293 18224 143 1 24 "Average Difference" CB 54 1.068 0.008 1.078 18224 144 1 24 "Average Difference" HN 61 0.480 -0.077 0.478 18224 145 1 25 "Average Difference" N 61 2.702 0.641 2.647 18224 146 1 25 "Average Difference" HA 64 0.279 0.000 0.281 18224 147 1 25 "Average Difference" C 62 1.033 -0.419 0.951 18224 148 1 25 "Average Difference" CA 62 1.101 -0.428 1.023 18224 149 1 25 "Average Difference" CB 54 1.302 0.183 1.301 18224 150 1 25 "Average Difference" HN 61 0.504 -0.060 0.504 18224 151 1 26 "Average Difference" N 61 2.356 0.564 2.306 18224 152 1 26 "Average Difference" HA 64 0.291 0.012 0.293 18224 153 1 26 "Average Difference" C 62 1.031 -0.475 0.922 18224 154 1 26 "Average Difference" CA 62 1.358 -0.462 1.287 18224 155 1 26 "Average Difference" CB 54 1.371 0.213 1.367 18224 156 1 26 "Average Difference" HN 61 0.483 -0.059 0.484 18224 157 1 27 "Average Difference" N 61 2.414 0.236 2.422 18224 158 1 27 "Average Difference" HA 64 0.268 -0.002 0.270 18224 159 1 27 "Average Difference" C 62 1.116 -0.439 1.034 18224 160 1 27 "Average Difference" CA 62 1.383 -0.549 1.280 18224 161 1 27 "Average Difference" CB 54 1.095 0.035 1.104 18224 162 1 27 "Average Difference" HN 61 0.457 -0.072 0.455 18224 163 1 28 "Average Difference" N 61 2.516 0.577 2.469 18224 164 1 28 "Average Difference" HA 64 0.256 0.007 0.258 18224 165 1 28 "Average Difference" C 62 1.273 -0.491 1.184 18224 166 1 28 "Average Difference" CA 62 1.424 -0.623 1.291 18224 167 1 28 "Average Difference" CB 54 1.339 0.163 1.341 18224 168 1 28 "Average Difference" HN 61 0.436 -0.007 0.439 18224 169 1 29 "Average Difference" N 61 2.240 0.065 2.257 18224 170 1 29 "Average Difference" HA 64 0.314 -0.033 0.315 18224 171 1 29 "Average Difference" C 62 1.046 -0.370 0.986 18224 172 1 29 "Average Difference" CA 62 1.532 -0.451 1.476 18224 173 1 29 "Average Difference" CB 54 1.077 0.063 1.085 18224 174 1 29 "Average Difference" HN 61 0.472 -0.028 0.475 18224 175 1 30 "Average Difference" N 61 2.406 -0.012 2.426 18224 176 1 30 "Average Difference" HA 64 0.297 -0.028 0.298 18224 177 1 30 "Average Difference" C 62 1.049 -0.400 0.977 18224 178 1 30 "Average Difference" CA 62 1.195 -0.478 1.105 18224 179 1 30 "Average Difference" CB 54 1.418 -0.017 1.431 18224 180 1 30 "Average Difference" HN 61 0.443 -0.062 0.442 18224 181 1 31 "Average Difference" N 61 2.072 -0.061 2.088 18224 182 1 31 "Average Difference" HA 64 0.306 -0.045 0.305 18224 183 1 31 "Average Difference" C 62 0.945 -0.289 0.907 18224 184 1 31 "Average Difference" CA 62 1.201 -0.458 1.119 18224 185 1 31 "Average Difference" CB 54 1.125 -0.123 1.129 18224 186 1 31 "Average Difference" HN 61 0.531 -0.092 0.527 18224 187 1 32 "Average Difference" N 61 2.304 0.448 2.279 18224 188 1 32 "Average Difference" HA 64 0.324 -0.043 0.323 18224 189 1 32 "Average Difference" C 62 1.018 -0.341 0.968 18224 190 1 32 "Average Difference" CA 62 1.226 -0.409 1.166 18224 191 1 32 "Average Difference" CB 54 1.216 0.023 1.227 18224 192 1 32 "Average Difference" HN 61 0.456 -0.043 0.458 18224 193 1 33 "Average Difference" N 61 2.616 0.268 2.624 18224 194 1 33 "Average Difference" HA 64 0.352 -0.066 0.348 18224 195 1 33 "Average Difference" C 62 1.076 -0.390 1.011 18224 196 1 33 "Average Difference" CA 62 1.288 -0.445 1.218 18224 197 1 33 "Average Difference" CB 54 1.041 -0.002 1.051 18224 198 1 33 "Average Difference" HN 61 0.467 -0.152 0.446 18224 199 1 34 "Average Difference" N 61 2.877 0.659 2.824 18224 200 1 34 "Average Difference" HA 64 0.284 0.001 0.286 18224 201 1 34 "Average Difference" C 62 1.093 -0.410 1.022 18224 202 1 34 "Average Difference" CA 62 1.159 -0.529 1.039 18224 203 1 34 "Average Difference" CB 54 1.231 0.102 1.239 18224 204 1 34 "Average Difference" HN 61 0.413 -0.041 0.414 18224 205 1 35 "Average Difference" N 61 2.089 0.472 2.052 18224 206 1 35 "Average Difference" HA 64 0.268 0.052 0.265 18224 207 1 35 "Average Difference" C 62 1.033 -0.539 0.889 18224 208 1 35 "Average Difference" CA 62 1.194 -0.461 1.111 18224 209 1 35 "Average Difference" CB 54 1.352 0.142 1.358 18224 210 1 35 "Average Difference" HN 61 0.452 -0.009 0.456 18224 211 1 36 "Average Difference" N 61 2.016 0.146 2.027 18224 212 1 36 "Average Difference" HA 64 0.340 -0.095 0.329 18224 213 1 36 "Average Difference" C 62 0.949 -0.406 0.865 18224 214 1 36 "Average Difference" CA 62 1.233 -0.360 1.189 18224 215 1 36 "Average Difference" CB 54 1.270 0.013 1.282 18224 216 1 36 "Average Difference" HN 61 0.520 -0.134 0.507 18224 217 1 37 "Average Difference" N 61 2.177 -0.054 2.195 18224 218 1 37 "Average Difference" HA 64 0.347 -0.086 0.339 18224 219 1 37 "Average Difference" C 62 1.121 -0.330 1.080 18224 220 1 37 "Average Difference" CA 62 1.201 -0.415 1.136 18224 221 1 37 "Average Difference" CB 54 1.369 -0.109 1.377 18224 222 1 37 "Average Difference" HN 61 0.480 -0.103 0.473 18224 223 1 38 "Average Difference" N 61 2.458 -0.024 2.478 18224 224 1 38 "Average Difference" HA 64 0.296 -0.027 0.297 18224 225 1 38 "Average Difference" C 62 1.001 -0.464 0.895 18224 226 1 38 "Average Difference" CA 62 1.225 -0.464 1.143 18224 227 1 38 "Average Difference" CB 54 1.200 0.083 1.208 18224 228 1 38 "Average Difference" HN 61 0.485 -0.078 0.483 18224 229 1 39 "Average Difference" N 61 2.654 0.561 2.615 18224 230 1 39 "Average Difference" HA 64 0.244 -0.008 0.246 18224 231 1 39 "Average Difference" C 62 0.985 -0.329 0.935 18224 232 1 39 "Average Difference" CA 62 1.149 -0.343 1.106 18224 233 1 39 "Average Difference" CB 54 1.212 0.052 1.222 18224 234 1 39 "Average Difference" HN 61 0.437 -0.060 0.437 18224 235 1 40 "Average Difference" N 61 2.420 0.459 2.396 18224 236 1 40 "Average Difference" HA 64 0.299 -0.052 0.296 18224 237 1 40 "Average Difference" C 62 1.066 -0.296 1.032 18224 238 1 40 "Average Difference" CA 62 1.286 -0.483 1.202 18224 239 1 40 "Average Difference" CB 54 1.303 0.046 1.315 18224 240 1 40 "Average Difference" HN 61 0.503 0.014 0.506 18224 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 18224 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 122.762 122.762 121.494 1.268 18224 2 1 . 1 1 2 2 GLU HA H 2 4.438 4.438 4.400 0.038 18224 3 1 . 1 1 2 2 GLU C C 2 175.581 175.581 175.436 0.145 18224 4 1 . 1 1 2 2 GLU CA C 2 56.360 56.360 56.622 -0.262 18224 5 1 . 1 1 2 2 GLU CB C 2 29.582 29.582 29.632 -0.050 18224 6 1 . 1 1 2 2 GLU H H 2 8.628 8.628 8.535 0.093 18224 7 1 . 1 1 3 3 GLU N N 3 121.071 121.071 121.772 -0.701 18224 8 1 . 1 1 3 3 GLU HA H 3 4.381 4.381 4.407 -0.026 18224 9 1 . 1 1 3 3 GLU C C 3 176.457 176.457 176.278 0.179 18224 10 1 . 1 1 3 3 GLU CA C 3 56.348 56.348 56.469 -0.121 18224 11 1 . 1 1 3 3 GLU CB C 3 29.199 29.199 29.578 -0.379 18224 12 1 . 1 1 3 3 GLU H H 3 8.393 8.393 8.550 -0.157 18224 13 1 . 1 1 4 4 GLY N N 4 109.717 109.717 109.593 0.124 18224 14 1 . 1 1 4 4 GLY C C 4 174.677 174.677 174.539 0.138 18224 15 1 . 1 1 4 4 GLY CA C 4 45.641 45.641 44.920 0.721 18224 16 1 . 1 1 4 4 GLY H H 4 8.377 8.377 8.300 0.077 18224 17 1 . 1 1 5 5 GLY N N 5 108.373 108.373 109.300 -0.927 18224 18 1 . 1 1 5 5 GLY C C 5 174.047 174.047 173.575 0.472 18224 19 1 . 1 1 5 5 GLY CA C 5 45.572 45.572 45.023 0.549 18224 20 1 . 1 1 5 5 GLY H H 5 8.115 8.115 8.079 0.036 18224 21 1 . 1 1 6 6 ASP N N 6 118.996 118.996 120.647 -1.651 18224 22 1 . 1 1 6 6 ASP HA H 6 4.649 4.649 4.610 0.039 18224 23 1 . 1 1 6 6 ASP C C 6 175.903 175.903 175.270 0.633 18224 24 1 . 1 1 6 6 ASP CA C 6 54.045 54.045 53.922 0.123 18224 25 1 . 1 1 6 6 ASP CB C 6 39.344 39.344 41.757 -2.413 18224 26 1 . 1 1 6 6 ASP H H 6 8.166 8.166 8.173 -0.007 18224 27 1 . 1 1 7 7 PHE N N 7 119.750 119.750 121.507 -1.757 18224 28 1 . 1 1 7 7 PHE HA H 7 4.550 4.550 4.556 -0.006 18224 29 1 . 1 1 7 7 PHE C C 7 175.919 175.919 175.089 0.830 18224 30 1 . 1 1 7 7 PHE CA C 7 58.932 58.932 58.277 0.655 18224 31 1 . 1 1 7 7 PHE CB C 7 39.180 39.180 40.001 -0.821 18224 32 1 . 1 1 7 7 PHE H H 7 8.151 8.151 8.146 0.005 18224 33 1 . 1 1 8 8 ASP N N 8 118.526 118.526 121.741 -3.215 18224 34 1 . 1 1 8 8 ASP HA H 8 4.498 4.498 4.598 -0.100 18224 35 1 . 1 1 8 8 ASP C C 8 175.787 175.787 175.024 0.763 18224 36 1 . 1 1 8 8 ASP CA C 8 54.635 54.635 54.537 0.098 18224 37 1 . 1 1 8 8 ASP CB C 8 39.203 39.203 40.884 -1.681 18224 38 1 . 1 1 8 8 ASP H H 8 8.161 8.161 8.405 -0.244 18224 39 1 . 1 1 9 9 ASN N N 9 117.291 117.291 117.918 -0.627 18224 40 1 . 1 1 9 9 ASN HA H 9 4.571 4.571 4.665 -0.094 18224 41 1 . 1 1 9 9 ASN C C 9 175.142 175.142 174.222 0.920 18224 42 1 . 1 1 9 9 ASN CA C 9 53.934 53.934 53.054 0.880 18224 43 1 . 1 1 9 9 ASN CB C 9 38.792 38.792 38.560 0.232 18224 44 1 . 1 1 9 9 ASN H H 9 8.013 8.013 8.085 -0.072 18224 45 1 . 1 1 10 10 TYR N N 10 119.112 119.112 120.068 -0.956 18224 46 1 . 1 1 10 10 TYR HA H 10 4.446 4.446 4.233 0.213 18224 47 1 . 1 1 10 10 TYR C C 10 175.513 175.513 175.713 -0.200 18224 48 1 . 1 1 10 10 TYR CA C 10 58.974 58.974 58.713 0.261 18224 49 1 . 1 1 10 10 TYR CB C 10 38.883 38.883 37.950 0.933 18224 50 1 . 1 1 10 10 TYR H H 10 7.848 7.848 7.995 -0.147 18224 51 1 . 1 1 11 11 TYR N N 11 119.438 119.438 121.214 -1.776 18224 52 1 . 1 1 11 11 TYR HA H 11 4.507 4.507 4.346 0.161 18224 53 1 . 1 1 11 11 TYR C C 11 175.939 175.939 176.025 -0.086 18224 54 1 . 1 1 11 11 TYR CA C 11 58.297 58.297 58.216 0.081 18224 55 1 . 1 1 11 11 TYR CB C 11 38.967 38.967 38.746 0.221 18224 56 1 . 1 1 11 11 TYR H H 11 7.849 7.849 7.991 -0.142 18224 57 1 . 1 1 12 12 GLY N N 12 109.685 109.685 108.816 0.869 18224 58 1 . 1 1 12 12 GLY C C 12 174.099 174.099 173.394 0.705 18224 59 1 . 1 1 12 12 GLY CA C 12 45.545 45.545 44.874 0.671 18224 60 1 . 1 1 12 12 GLY H H 12 7.792 7.792 8.439 -0.647 18224 61 1 . 1 1 13 13 ALA N N 13 123.072 123.072 124.768 -1.696 18224 62 1 . 1 1 13 13 ALA HA H 13 4.275 4.275 4.411 -0.136 18224 63 1 . 1 1 13 13 ALA C C 13 177.669 177.669 176.580 1.089 18224 64 1 . 1 1 13 13 ALA CA C 13 52.970 52.970 51.996 0.974 18224 65 1 . 1 1 13 13 ALA CB C 13 19.290 19.290 18.708 0.582 18224 66 1 . 1 1 13 13 ALA H H 13 7.880 7.880 8.180 -0.300 18224 67 1 . 1 1 14 14 ASP N N 14 117.540 117.540 120.531 -2.991 18224 68 1 . 1 1 14 14 ASP HA H 14 4.649 4.649 4.625 0.024 18224 69 1 . 1 1 14 14 ASP C C 14 175.649 175.649 175.399 0.250 18224 70 1 . 1 1 14 14 ASP CA C 14 53.964 53.964 54.117 -0.153 18224 71 1 . 1 1 14 14 ASP CB C 14 39.683 39.683 39.994 -0.311 18224 72 1 . 1 1 14 14 ASP H H 14 8.281 8.281 8.413 -0.132 18224 73 1 . 1 1 15 15 ASN N N 15 118.400 118.400 118.607 -0.207 18224 74 1 . 1 1 15 15 ASN HA H 15 4.686 4.686 4.756 -0.070 18224 75 1 . 1 1 15 15 ASN C C 15 175.351 175.351 175.443 -0.092 18224 76 1 . 1 1 15 15 ASN CA C 15 53.608 53.608 53.511 0.097 18224 77 1 . 1 1 15 15 ASN CB C 15 38.942 38.942 39.483 -0.541 18224 78 1 . 1 1 15 15 ASN H H 15 8.137 8.137 8.101 0.036 18224 79 1 . 1 1 16 16 GLN N N 16 120.072 120.072 119.549 0.523 18224 80 1 . 1 1 16 16 GLN HA H 16 4.360 4.360 4.234 0.126 18224 81 1 . 1 1 16 16 GLN C C 16 176.206 176.206 175.440 0.766 18224 82 1 . 1 1 16 16 GLN CA C 16 56.402 56.402 56.139 0.263 18224 83 1 . 1 1 16 16 GLN CB C 16 29.169 29.169 27.357 1.812 18224 84 1 . 1 1 16 16 GLN H H 16 8.284 8.284 8.320 -0.036 18224 85 1 . 1 1 17 17 SER N N 17 116.112 116.112 116.218 -0.106 18224 86 1 . 1 1 17 17 SER HA H 17 4.440 4.440 4.351 0.089 18224 87 1 . 1 1 17 17 SER C C 17 174.568 174.568 174.028 0.540 18224 88 1 . 1 1 17 17 SER CA C 17 58.911 58.911 58.546 0.365 18224 89 1 . 1 1 17 17 SER CB C 17 63.897 63.897 63.520 0.377 18224 90 1 . 1 1 17 17 SER H H 17 8.211 8.211 8.038 0.173 18224 91 1 . 1 1 18 18 GLU N N 18 121.378 121.378 124.188 -2.810 18224 92 1 . 1 1 18 18 GLU HA H 18 4.379 4.379 4.365 0.014 18224 93 1 . 1 1 18 18 GLU C C 18 175.934 175.934 175.552 0.382 18224 94 1 . 1 1 18 18 GLU CA C 18 56.406 56.406 56.396 0.010 18224 95 1 . 1 1 18 18 GLU CB C 18 29.133 29.133 30.200 -1.067 18224 96 1 . 1 1 18 18 GLU H H 18 8.262 8.262 8.501 -0.239 18224 97 1 . 1 1 19 19 CYS N N 19 119.418 119.418 121.347 -1.929 18224 98 1 . 1 1 19 19 CYS HA H 19 4.444 4.444 4.581 -0.137 18224 99 1 . 1 1 19 19 CYS C C 19 174.568 174.568 174.501 0.067 18224 100 1 . 1 1 19 19 CYS CA C 19 58.839 58.839 58.874 -0.035 18224 101 1 . 1 1 19 19 CYS CB C 19 27.973 27.973 28.922 -0.949 18224 102 1 . 1 1 19 19 CYS H H 19 8.182 8.182 8.449 -0.267 18224 103 1 . 1 1 20 20 GLU N N 20 122.737 122.737 119.187 3.550 18224 104 1 . 1 1 20 20 GLU HA H 20 4.307 4.307 4.094 0.213 18224 105 1 . 1 1 20 20 GLU C C 20 176.083 176.083 175.799 0.284 18224 106 1 . 1 1 20 20 GLU CA C 20 56.540 56.540 57.386 -0.846 18224 107 1 . 1 1 20 20 GLU CB C 20 28.866 28.866 29.391 -0.525 18224 108 1 . 1 1 20 20 GLU H H 20 8.303 8.303 8.493 -0.190 18224 109 1 . 1 1 21 21 TYR N N 21 119.549 119.549 116.636 2.913 18224 110 1 . 1 1 21 21 TYR HA H 21 4.474 4.474 4.227 0.247 18224 111 1 . 1 1 21 21 TYR C C 21 175.826 175.826 174.513 1.313 18224 112 1 . 1 1 21 21 TYR CA C 21 58.671 58.671 59.064 -0.393 18224 113 1 . 1 1 21 21 TYR CB C 21 38.589 38.589 37.730 0.859 18224 114 1 . 1 1 21 21 TYR H H 21 7.888 7.888 8.110 -0.222 18224 115 1 . 1 1 22 22 THR N N 22 112.218 112.218 112.436 -0.218 18224 116 1 . 1 1 22 22 THR HA H 22 4.163 4.163 3.502 0.661 18224 117 1 . 1 1 22 22 THR C C 22 174.737 174.737 173.986 0.751 18224 118 1 . 1 1 22 22 THR CA C 22 62.778 62.778 63.264 -0.486 18224 119 1 . 1 1 22 22 THR CB C 22 69.531 69.531 69.042 0.489 18224 120 1 . 1 1 22 22 THR H H 22 7.683 7.683 7.386 0.297 18224 121 1 . 1 1 23 23 ASP N N 23 121.090 121.090 120.290 0.800 18224 122 1 . 1 1 23 23 ASP HA H 23 4.711 4.711 4.665 0.046 18224 123 1 . 1 1 23 23 ASP C C 23 176.279 176.279 176.863 -0.584 18224 124 1 . 1 1 23 23 ASP CA C 23 54.110 54.110 53.538 0.572 18224 125 1 . 1 1 23 23 ASP CB C 23 39.338 39.338 40.491 -1.152 18224 126 1 . 1 1 23 23 ASP H H 23 8.059 8.059 7.717 0.342 18224 127 1 . 1 1 24 24 TRP N N 24 121.546 121.546 120.800 0.746 18224 128 1 . 1 1 24 24 TRP HA H 24 4.486 4.486 4.379 0.107 18224 129 1 . 1 1 24 24 TRP C C 24 177.051 177.051 176.770 0.281 18224 130 1 . 1 1 24 24 TRP CA C 24 58.828 58.828 57.651 1.177 18224 131 1 . 1 1 24 24 TRP CB C 24 29.068 29.068 28.045 1.023 18224 132 1 . 1 1 24 24 TRP H H 24 7.888 7.888 7.209 0.679 18224 133 1 . 1 1 25 25 LYS N N 25 120.106 120.106 120.045 0.061 18224 134 1 . 1 1 25 25 LYS HA H 25 3.990 3.990 4.183 -0.193 18224 135 1 . 1 1 25 25 LYS C C 25 176.764 176.764 176.288 0.476 18224 136 1 . 1 1 25 25 LYS CA C 25 57.722 57.722 56.997 0.725 18224 137 1 . 1 1 25 25 LYS CB C 25 32.301 32.301 31.240 1.061 18224 138 1 . 1 1 25 25 LYS H H 25 7.620 7.620 8.065 -0.445 18224 139 1 . 1 1 26 26 SER N N 26 114.114 114.114 115.857 -1.743 18224 140 1 . 1 1 26 26 SER HA H 26 4.471 4.471 4.437 0.034 18224 141 1 . 1 1 26 26 SER C C 26 175.124 175.124 174.341 0.783 18224 142 1 . 1 1 26 26 SER CA C 26 58.757 58.757 59.013 -0.256 18224 143 1 . 1 1 26 26 SER CB C 26 63.812 63.812 63.610 0.202 18224 144 1 . 1 1 26 26 SER H H 26 7.796 7.796 8.325 -0.529 18224 145 1 . 1 1 27 27 SER N N 27 116.655 116.655 114.780 1.875 18224 146 1 . 1 1 27 27 SER HA H 27 4.386 4.386 4.354 0.032 18224 147 1 . 1 1 27 27 SER C C 27 175.505 175.505 174.919 0.586 18224 148 1 . 1 1 27 27 SER CA C 27 59.611 59.611 59.060 0.551 18224 149 1 . 1 1 27 27 SER CB C 27 64.117 64.117 63.030 1.087 18224 150 1 . 1 1 27 27 SER H H 27 8.046 8.046 8.312 -0.266 18224 151 1 . 1 1 28 28 GLY N N 28 111.049 111.049 108.106 2.943 18224 152 1 . 1 1 28 28 GLY C C 28 174.495 174.495 174.095 0.400 18224 153 1 . 1 1 28 28 GLY CA C 28 46.121 46.121 45.499 0.622 18224 154 1 . 1 1 28 28 GLY H H 28 8.304 8.304 8.166 0.138 18224 155 1 . 1 1 29 29 ALA N N 29 121.693 121.693 120.658 1.035 18224 156 1 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.139 0.210 18224 157 1 . 1 1 29 29 ALA C C 29 177.695 177.695 176.928 0.767 18224 158 1 . 1 1 29 29 ALA CA C 29 53.111 53.111 52.832 0.279 18224 159 1 . 1 1 29 29 ALA CB C 29 19.964 19.964 18.260 1.704 18224 160 1 . 1 1 29 29 ALA H H 29 7.941 7.941 7.937 0.004 18224 161 1 . 1 1 30 30 LEU N N 30 117.996 117.996 119.594 -1.598 18224 162 1 . 1 1 30 30 LEU HA H 30 4.182 4.182 4.385 -0.203 18224 163 1 . 1 1 30 30 LEU C C 30 177.484 177.484 177.362 0.122 18224 164 1 . 1 1 30 30 LEU CA C 30 57.970 57.970 55.881 2.089 18224 165 1 . 1 1 30 30 LEU CB C 30 42.422 42.422 42.452 -0.030 18224 166 1 . 1 1 30 30 LEU H H 30 7.968 7.968 7.901 0.067 18224 167 1 . 1 1 31 31 ILE N N 31 117.106 117.106 119.211 -2.105 18224 168 1 . 1 1 31 31 ILE HA H 31 3.939 3.939 4.231 -0.292 18224 169 1 . 1 1 31 31 ILE C C 31 174.998 174.998 175.089 -0.091 18224 170 1 . 1 1 31 31 ILE CA C 31 65.922 65.922 63.495 2.427 18224 171 1 . 1 1 31 31 ILE CB C 31 35.108 35.108 36.042 -0.934 18224 172 1 . 1 1 31 31 ILE H H 31 8.027 8.027 7.981 0.046 18224 173 1 . 1 1 32 32 PRO HA H 32 4.284 4.284 4.370 -0.086 18224 174 1 . 1 1 32 32 PRO C C 32 178.663 178.663 177.886 0.777 18224 175 1 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.691 0.302 18224 176 1 . 1 1 32 32 PRO CB C 32 31.056 31.056 30.966 0.090 18224 177 1 . 1 1 33 33 ALA N N 33 119.031 119.031 118.866 0.165 18224 178 1 . 1 1 33 33 ALA HA H 33 4.166 4.166 4.206 -0.040 18224 179 1 . 1 1 33 33 ALA C C 33 178.942 178.942 179.167 -0.225 18224 180 1 . 1 1 33 33 ALA CA C 33 55.540 55.540 54.394 1.146 18224 181 1 . 1 1 33 33 ALA CB C 33 18.485 18.485 18.454 0.031 18224 182 1 . 1 1 33 33 ALA H H 33 7.580 7.580 8.284 -0.704 18224 183 1 . 1 1 34 34 ILE N N 34 117.923 117.923 117.566 0.357 18224 184 1 . 1 1 34 34 ILE HA H 34 3.699 3.699 3.925 -0.226 18224 185 1 . 1 1 34 34 ILE C C 34 177.833 177.833 176.975 0.858 18224 186 1 . 1 1 34 34 ILE CA C 34 65.112 65.112 63.292 1.820 18224 187 1 . 1 1 34 34 ILE CB C 34 37.351 37.351 38.153 -0.802 18224 188 1 . 1 1 34 34 ILE H H 34 8.234 8.234 7.596 0.638 18224 189 1 . 1 1 35 35 TYR N N 35 118.746 118.746 120.162 -1.416 18224 190 1 . 1 1 35 35 TYR HA H 35 4.115 4.115 4.217 -0.102 18224 191 1 . 1 1 35 35 TYR C C 35 178.044 178.044 177.607 0.437 18224 192 1 . 1 1 35 35 TYR CA C 35 61.758 61.758 62.089 -0.331 18224 193 1 . 1 1 35 35 TYR CB C 35 38.015 38.015 38.875 -0.860 18224 194 1 . 1 1 35 35 TYR H H 35 8.355 8.355 7.662 0.693 18224 195 1 . 1 1 36 36 MET N N 36 117.813 117.813 117.447 0.366 18224 196 1 . 1 1 36 36 MET HA H 36 4.281 4.281 4.362 -0.081 18224 197 1 . 1 1 36 36 MET C C 36 178.139 178.139 178.023 0.116 18224 198 1 . 1 1 36 36 MET CA C 36 58.482 58.482 58.602 -0.120 18224 199 1 . 1 1 36 36 MET CB C 36 31.716 31.716 32.641 -0.925 18224 200 1 . 1 1 36 36 MET H H 36 8.107 8.107 8.062 0.045 18224 201 1 . 1 1 37 37 LEU N N 37 120.311 120.311 119.828 0.483 18224 202 1 . 1 1 37 37 LEU HA H 37 4.075 4.075 4.174 -0.099 18224 203 1 . 1 1 37 37 LEU C C 37 178.399 178.399 177.650 0.749 18224 204 1 . 1 1 37 37 LEU CA C 37 58.470 58.470 57.462 1.008 18224 205 1 . 1 1 37 37 LEU CB C 37 41.953 41.953 41.437 0.516 18224 206 1 . 1 1 37 37 LEU H H 37 8.229 8.229 7.815 0.414 18224 207 1 . 1 1 38 38 VAL N N 38 118.080 118.080 116.443 1.637 18224 208 1 . 1 1 38 38 VAL HA H 38 3.525 3.525 4.020 -0.495 18224 209 1 . 1 1 38 38 VAL C C 38 178.139 178.139 176.470 1.669 18224 210 1 . 1 1 38 38 VAL CA C 38 67.152 67.152 63.523 3.629 18224 211 1 . 1 1 38 38 VAL CB C 38 31.450 31.450 32.433 -0.983 18224 212 1 . 1 1 38 38 VAL H H 38 8.363 8.363 7.475 0.888 18224 213 1 . 1 1 39 39 PHE N N 39 120.151 120.151 120.932 -0.781 18224 214 1 . 1 1 39 39 PHE HA H 39 4.223 4.223 4.500 -0.277 18224 215 1 . 1 1 39 39 PHE C C 39 178.544 178.544 176.317 2.227 18224 216 1 . 1 1 39 39 PHE CA C 39 61.326 61.326 60.711 0.615 18224 217 1 . 1 1 39 39 PHE CB C 39 38.916 38.916 40.642 -1.726 18224 218 1 . 1 1 39 39 PHE H H 39 8.306 8.306 7.956 0.350 18224 219 1 . 1 1 40 40 LEU N N 40 121.004 121.004 117.289 3.715 18224 220 1 . 1 1 40 40 LEU HA H 40 4.023 4.023 4.342 -0.319 18224 221 1 . 1 1 40 40 LEU C C 40 179.704 179.704 177.880 1.824 18224 222 1 . 1 1 40 40 LEU CA C 40 57.938 57.938 56.780 1.158 18224 223 1 . 1 1 40 40 LEU CB C 40 42.292 42.292 41.512 0.780 18224 224 1 . 1 1 40 40 LEU H H 40 8.567 8.567 7.817 0.750 18224 225 1 . 1 1 41 41 LEU N N 41 119.593 119.593 119.007 0.586 18224 226 1 . 1 1 41 41 LEU HA H 41 4.061 4.061 4.185 -0.124 18224 227 1 . 1 1 41 41 LEU C C 41 178.966 178.966 177.901 1.065 18224 228 1 . 1 1 41 41 LEU CA C 41 57.696 57.696 56.434 1.262 18224 229 1 . 1 1 41 41 LEU CB C 41 41.792 41.792 41.771 0.021 18224 230 1 . 1 1 41 41 LEU H H 41 8.503 8.503 7.829 0.674 18224 231 1 . 1 1 42 42 GLY N N 42 105.838 105.838 103.951 1.887 18224 232 1 . 1 1 42 42 GLY C C 42 175.587 175.587 174.189 1.398 18224 233 1 . 1 1 42 42 GLY CA C 42 46.570 46.570 45.447 1.123 18224 234 1 . 1 1 42 42 GLY H H 42 8.355 8.355 7.915 0.440 18224 235 1 . 1 1 43 43 THR N N 43 112.333 112.333 113.595 -1.262 18224 236 1 . 1 1 43 43 THR HA H 43 4.290 4.290 4.455 -0.165 18224 237 1 . 1 1 43 43 THR C C 43 175.765 175.765 174.762 1.003 18224 238 1 . 1 1 43 43 THR CA C 43 63.680 63.680 61.749 1.931 18224 239 1 . 1 1 43 43 THR CB C 43 69.626 69.626 69.559 0.067 18224 240 1 . 1 1 43 43 THR H H 43 7.895 7.895 7.615 0.280 18224 241 1 . 1 1 44 44 THR N N 44 112.041 112.041 115.303 -3.262 18224 242 1 . 1 1 44 44 THR HA H 44 4.388 4.388 4.122 0.266 18224 243 1 . 1 1 44 44 THR C C 44 175.555 175.555 175.014 0.541 18224 244 1 . 1 1 44 44 THR CA C 44 62.732 62.732 64.079 -1.347 18224 245 1 . 1 1 44 44 THR CB C 44 70.240 70.240 68.678 1.562 18224 246 1 . 1 1 44 44 THR H H 44 7.684 7.684 8.196 -0.512 18224 247 1 . 1 1 45 45 GLY N N 45 109.756 109.756 109.669 0.087 18224 248 1 . 1 1 45 45 GLY C C 45 174.948 174.948 173.221 1.727 18224 249 1 . 1 1 45 45 GLY CA C 45 46.352 46.352 45.069 1.283 18224 250 1 . 1 1 45 45 GLY H H 45 8.058 8.058 8.336 -0.278 18224 251 1 . 1 1 46 46 ASN N N 46 117.561 117.561 118.745 -1.184 18224 252 1 . 1 1 46 46 ASN HA H 46 4.845 4.845 4.615 0.230 18224 253 1 . 1 1 46 46 ASN C C 46 175.853 175.853 175.197 0.656 18224 254 1 . 1 1 46 46 ASN CA C 46 54.092 54.092 53.392 0.700 18224 255 1 . 1 1 46 46 ASN CB C 46 39.513 39.513 38.560 0.953 18224 256 1 . 1 1 46 46 ASN H H 46 8.202 8.202 8.061 0.141 18224 257 1 . 1 1 47 47 GLY N N 47 108.715 108.715 108.806 -0.091 18224 258 1 . 1 1 47 47 GLY C C 47 174.431 174.431 174.351 0.080 18224 259 1 . 1 1 47 47 GLY CA C 47 47.161 47.161 45.738 1.423 18224 260 1 . 1 1 47 47 GLY H H 47 8.600 8.600 8.506 0.094 18224 261 1 . 1 1 48 48 LEU N N 48 120.089 120.089 121.089 -1.000 18224 262 1 . 1 1 48 48 LEU HA H 48 4.319 4.319 4.599 -0.280 18224 263 1 . 1 1 48 48 LEU C C 48 179.243 179.243 177.732 1.511 18224 264 1 . 1 1 48 48 LEU CA C 48 57.316 57.316 55.869 1.447 18224 265 1 . 1 1 48 48 LEU CB C 48 41.838 41.838 42.534 -0.696 18224 266 1 . 1 1 48 48 LEU H H 48 8.003 8.003 7.859 0.144 18224 267 1 . 1 1 49 49 VAL N N 49 120.573 120.573 119.295 1.278 18224 268 1 . 1 1 49 49 VAL HA H 49 3.821 3.821 3.919 -0.098 18224 269 1 . 1 1 49 49 VAL C C 49 177.520 177.520 177.427 0.093 18224 270 1 . 1 1 49 49 VAL CA C 49 66.062 66.062 65.576 0.485 18224 271 1 . 1 1 49 49 VAL CB C 49 31.488 31.488 31.433 0.055 18224 272 1 . 1 1 49 49 VAL H H 49 7.910 7.910 8.011 -0.101 18224 273 1 . 1 1 50 50 LEU N N 50 119.718 119.718 117.849 1.869 18224 274 1 . 1 1 50 50 LEU HA H 50 4.027 4.027 4.420 -0.393 18224 275 1 . 1 1 50 50 LEU C C 50 178.169 178.169 178.335 -0.166 18224 276 1 . 1 1 50 50 LEU CA C 50 58.052 58.052 56.870 1.182 18224 277 1 . 1 1 50 50 LEU CB C 50 41.741 41.741 40.936 0.806 18224 278 1 . 1 1 50 50 LEU H H 50 7.860 7.860 7.897 -0.037 18224 279 1 . 1 1 51 51 TRP N N 51 118.071 118.071 121.434 -3.363 18224 280 1 . 1 1 51 51 TRP HA H 51 4.542 4.542 4.560 -0.018 18224 281 1 . 1 1 51 51 TRP C C 51 177.296 177.296 177.129 0.167 18224 282 1 . 1 1 51 51 TRP CA C 51 59.918 59.918 59.915 0.003 18224 283 1 . 1 1 51 51 TRP CB C 51 29.975 29.975 28.983 0.992 18224 284 1 . 1 1 51 51 TRP H H 51 8.109 8.109 8.071 0.038 18224 285 1 . 1 1 52 52 THR N N 52 113.243 113.243 115.297 -2.054 18224 286 1 . 1 1 52 52 THR HA H 52 3.773 3.773 3.693 0.080 18224 287 1 . 1 1 52 52 THR C C 52 176.402 176.402 176.191 0.211 18224 288 1 . 1 1 52 52 THR CA C 52 66.690 66.690 65.676 1.014 18224 289 1 . 1 1 52 52 THR CB C 52 68.921 68.921 68.763 0.158 18224 290 1 . 1 1 52 52 THR H H 52 8.072 8.072 7.757 0.315 18224 291 1 . 1 1 53 53 VAL N N 53 120.307 120.307 121.411 -1.104 18224 292 1 . 1 1 53 53 VAL HA H 53 3.663 3.663 3.695 -0.032 18224 293 1 . 1 1 53 53 VAL C C 53 177.362 177.362 177.167 0.195 18224 294 1 . 1 1 53 53 VAL CA C 53 66.292 66.292 65.918 0.374 18224 295 1 . 1 1 53 53 VAL CB C 53 31.717 31.717 31.505 0.212 18224 296 1 . 1 1 53 53 VAL H H 53 8.006 8.006 7.541 0.465 18224 297 1 . 1 1 54 54 PHE N N 54 119.041 119.041 118.062 0.979 18224 298 1 . 1 1 54 54 PHE HA H 54 4.228 4.228 4.219 0.009 18224 299 1 . 1 1 54 54 PHE C C 54 177.476 177.476 175.833 1.643 18224 300 1 . 1 1 54 54 PHE CA C 54 60.892 60.892 59.814 1.078 18224 301 1 . 1 1 54 54 PHE CB C 54 38.596 38.596 38.987 -0.391 18224 302 1 . 1 1 54 54 PHE H H 54 8.143 8.143 7.774 0.369 18224 303 1 . 1 1 55 55 ARG N N 55 117.543 117.543 118.705 -1.162 18224 304 1 . 1 1 55 55 ARG HA H 55 3.863 3.863 3.483 0.380 18224 305 1 . 1 1 55 55 ARG C C 55 177.832 177.832 177.813 0.019 18224 306 1 . 1 1 55 55 ARG CA C 55 57.706 57.706 57.263 0.443 18224 307 1 . 1 1 55 55 ARG CB C 55 29.476 29.476 30.030 -0.554 18224 308 1 . 1 1 55 55 ARG H H 55 8.112 8.112 7.300 0.812 18224 309 1 . 1 1 56 56 LYS N N 56 118.390 118.390 118.758 -0.368 18224 310 1 . 1 1 56 56 LYS HA H 56 4.163 4.163 3.954 0.209 18224 311 1 . 1 1 56 56 LYS C C 56 177.400 177.400 178.593 -1.193 18224 312 1 . 1 1 56 56 LYS CA C 56 57.710 57.710 58.580 -0.870 18224 313 1 . 1 1 56 56 LYS CB C 56 32.779 32.779 32.110 0.669 18224 314 1 . 1 1 56 56 LYS H H 56 7.789 7.789 7.785 0.004 18224 315 1 . 1 1 57 57 LYS N N 57 118.190 118.190 119.258 -1.068 18224 316 1 . 1 1 57 57 LYS HA H 57 4.259 4.259 4.243 0.016 18224 317 1 . 1 1 57 57 LYS C C 57 176.791 176.791 176.584 0.207 18224 318 1 . 1 1 57 57 LYS CA C 57 56.425 56.425 55.640 0.785 18224 319 1 . 1 1 57 57 LYS CB C 57 32.823 32.823 30.740 2.083 18224 320 1 . 1 1 57 57 LYS H H 57 7.821 7.821 7.564 0.257 18224 321 1 . 1 1 58 58 GLY N N 58 107.289 107.289 108.573 -1.284 18224 322 1 . 1 1 58 58 GLY C C 58 173.607 173.607 174.586 -0.979 18224 323 1 . 1 1 58 58 GLY CA C 58 45.474 45.474 45.351 0.123 18224 324 1 . 1 1 58 58 GLY H H 58 7.927 7.927 7.972 -0.045 18224 325 1 . 1 1 59 59 HIS N N 59 116.847 116.847 119.214 -2.367 18224 326 1 . 1 1 59 59 HIS HA H 59 4.693 4.693 4.489 0.204 18224 327 1 . 1 1 59 59 HIS C C 59 174.153 174.153 175.495 -1.342 18224 328 1 . 1 1 59 59 HIS CA C 59 55.158 55.158 56.702 -1.544 18224 329 1 . 1 1 59 59 HIS CB C 59 28.915 28.915 30.592 -1.677 18224 330 1 . 1 1 59 59 HIS H H 59 8.120 8.120 7.886 0.234 18224 331 1 . 1 1 60 60 HIS N N 60 118.028 118.028 118.526 -0.498 18224 332 1 . 1 1 60 60 HIS HA H 60 4.692 4.692 4.362 0.330 18224 333 1 . 1 1 60 60 HIS C C 60 173.987 173.987 174.832 -0.845 18224 334 1 . 1 1 60 60 HIS CA C 60 55.508 55.508 56.581 -1.073 18224 335 1 . 1 1 60 60 HIS CB C 60 28.825 28.825 29.686 -0.861 18224 336 1 . 1 1 60 60 HIS H H 60 8.328 8.328 8.335 -0.007 18224 337 1 . 1 1 61 61 HIS N N 61 118.101 118.101 120.027 -1.925 18224 338 1 . 1 1 61 61 HIS HA H 61 4.690 4.690 4.458 0.232 18224 339 1 . 1 1 61 61 HIS C C 61 174.032 174.032 175.184 -1.152 18224 340 1 . 1 1 61 61 HIS CA C 61 55.718 55.718 56.061 -0.343 18224 341 1 . 1 1 61 61 HIS CB C 61 28.895 28.895 30.058 -1.163 18224 342 1 . 1 1 61 61 HIS H H 61 8.351 8.351 8.175 0.176 18224 343 1 . 1 1 62 62 HIS N N 62 118.704 118.704 120.278 -1.574 18224 344 1 . 1 1 62 62 HIS HA H 62 4.701 4.701 4.382 0.319 18224 345 1 . 1 1 62 62 HIS C C 62 173.803 173.803 175.005 -1.202 18224 346 1 . 1 1 62 62 HIS CA C 62 55.604 55.604 56.512 -0.908 18224 347 1 . 1 1 62 62 HIS CB C 62 29.163 29.163 30.005 -0.842 18224 348 1 . 1 1 62 62 HIS H H 62 8.381 8.381 8.374 0.007 18224 349 1 . 1 1 63 63 HIS N N 63 118.853 118.853 120.940 -2.087 18224 350 1 . 1 1 63 63 HIS HA H 63 4.681 4.681 4.373 0.308 18224 351 1 . 1 1 63 63 HIS C C 63 173.576 173.576 175.085 -1.509 18224 352 1 . 1 1 63 63 HIS CA C 63 55.698 55.698 56.439 -0.741 18224 353 1 . 1 1 63 63 HIS CB C 63 29.133 29.133 29.927 -0.794 18224 354 1 . 1 1 63 63 HIS H H 63 8.299 8.299 8.441 -0.142 18224 stop_ save_