data_18299 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18299 _Entry.PDB_ID 2LQ9 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 18299 _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 PRO HA H 2 4.253 4.253 4.663 -0.410 18299 2 1 1 . 1 1 2 2 PRO C C 2 174.299 174.299 175.557 -1.258 18299 3 1 1 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.434 0.901 18299 4 1 1 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.697 -0.064 18299 5 1 1 . 1 1 3 3 LYS N N 3 121.020 121.020 120.475 0.545 18299 6 1 1 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.569 0.365 18299 7 1 1 . 1 1 3 3 LYS C C 3 175.055 175.055 175.182 -0.127 18299 8 1 1 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.710 -0.816 18299 9 1 1 . 1 1 3 3 LYS CB C 3 34.382 34.382 35.116 -0.734 18299 10 1 1 . 1 1 3 3 LYS H H 3 8.038 8.038 8.435 -0.397 18299 11 1 1 . 1 1 4 4 HIS N N 4 122.815 122.815 124.005 -1.190 18299 12 1 1 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.988 -0.029 18299 13 1 1 . 1 1 4 4 HIS C C 4 174.771 174.771 173.331 1.440 18299 14 1 1 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.371 1.671 18299 15 1 1 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.317 1.927 18299 16 1 1 . 1 1 4 4 HIS H H 4 8.908 8.908 8.946 -0.038 18299 17 1 1 . 1 1 5 5 GLU N N 5 122.404 122.404 126.896 -4.492 18299 18 1 1 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.958 0.335 18299 19 1 1 . 1 1 5 5 GLU C C 5 174.389 174.389 174.593 -0.204 18299 20 1 1 . 1 1 5 5 GLU CA C 5 55.848 55.848 54.809 1.039 18299 21 1 1 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.522 1.220 18299 22 1 1 . 1 1 5 5 GLU H H 5 8.951 8.951 8.179 0.772 18299 23 1 1 . 1 1 6 6 PHE N N 6 119.234 119.234 124.656 -5.422 18299 24 1 1 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.063 0.122 18299 25 1 1 . 1 1 6 6 PHE C C 6 175.130 175.130 173.964 1.166 18299 26 1 1 . 1 1 6 6 PHE CA C 6 56.746 56.746 57.184 -0.438 18299 27 1 1 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.751 -1.069 18299 28 1 1 . 1 1 6 6 PHE H H 6 9.075 9.075 8.123 0.952 18299 29 1 1 . 1 1 7 7 SER N N 7 118.028 118.028 119.767 -1.739 18299 30 1 1 . 1 1 7 7 SER HA H 7 5.322 5.322 4.828 0.494 18299 31 1 1 . 1 1 7 7 SER C C 7 174.651 174.651 172.671 1.980 18299 32 1 1 . 1 1 7 7 SER CA C 7 56.636 56.636 57.681 -1.044 18299 33 1 1 . 1 1 7 7 SER CB C 7 63.983 63.983 64.160 -0.177 18299 34 1 1 . 1 1 7 7 SER H H 7 9.346 9.346 9.127 0.219 18299 35 1 1 . 1 1 8 8 VAL N N 8 125.476 125.476 127.051 -1.575 18299 36 1 1 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.860 -0.177 18299 37 1 1 . 1 1 8 8 VAL C C 8 174.360 174.360 174.384 -0.024 18299 38 1 1 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.780 1.240 18299 39 1 1 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.339 -0.118 18299 40 1 1 . 1 1 8 8 VAL H H 8 8.129 8.129 8.488 -0.359 18299 41 1 1 . 1 1 9 9 ASP N N 9 124.989 124.989 129.196 -4.207 18299 42 1 1 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.761 -0.065 18299 43 1 1 . 1 1 9 9 ASP C C 9 175.278 175.278 175.447 -0.169 18299 44 1 1 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.661 0.350 18299 45 1 1 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.657 -1.136 18299 46 1 1 . 1 1 9 9 ASP H H 9 8.285 8.285 8.230 0.055 18299 47 1 1 . 1 1 10 10 MET N N 10 125.927 125.927 126.038 -0.111 18299 48 1 1 . 1 1 10 10 MET HA H 10 4.712 4.712 4.412 0.300 18299 49 1 1 . 1 1 10 10 MET C C 10 175.748 175.748 175.442 0.306 18299 50 1 1 . 1 1 10 10 MET CA C 10 54.825 54.825 55.846 -1.021 18299 51 1 1 . 1 1 10 10 MET CB C 10 34.030 34.030 31.907 2.123 18299 52 1 1 . 1 1 10 10 MET H H 10 8.096 8.096 8.493 -0.397 18299 53 1 1 . 1 1 11 11 THR N N 11 116.339 116.339 119.795 -3.456 18299 54 1 1 . 1 1 11 11 THR HA H 11 4.326 4.326 4.526 -0.200 18299 55 1 1 . 1 1 11 11 THR C C 11 174.832 174.832 174.904 -0.072 18299 56 1 1 . 1 1 11 11 THR CA C 11 63.908 63.908 63.183 0.725 18299 57 1 1 . 1 1 11 11 THR CB C 11 69.529 69.529 69.500 0.029 18299 58 1 1 . 1 1 11 11 THR H H 11 8.886 8.886 8.579 0.307 18299 59 1 1 . 1 1 12 12 CYS N N 12 117.534 117.534 122.792 -5.258 18299 60 1 1 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.680 0.115 18299 61 1 1 . 1 1 12 12 CYS C C 12 174.892 174.892 176.408 -1.516 18299 62 1 1 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.272 -0.657 18299 63 1 1 . 1 1 12 12 CYS CB C 12 29.481 29.481 26.295 3.186 18299 64 1 1 . 1 1 12 12 CYS H H 12 8.183 8.183 8.329 -0.146 18299 65 1 1 . 1 1 13 13 GLY N N 13 110.516 110.516 111.356 -0.840 18299 66 1 1 . 1 1 13 13 GLY C C 13 175.328 175.328 175.808 -0.480 18299 67 1 1 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.980 -1.399 18299 68 1 1 . 1 1 13 13 GLY H H 13 8.737 8.737 8.001 0.736 18299 69 1 1 . 1 1 14 14 GLY N N 14 110.521 110.521 108.711 1.810 18299 70 1 1 . 1 1 14 14 GLY C C 14 175.741 175.741 175.954 -0.213 18299 71 1 1 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.797 -0.791 18299 72 1 1 . 1 1 14 14 GLY H H 14 8.677 8.677 8.323 0.354 18299 73 1 1 . 1 1 15 15 CYS N N 15 121.304 121.304 120.264 1.040 18299 74 1 1 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.279 0.084 18299 75 1 1 . 1 1 15 15 CYS C C 15 176.557 176.557 176.445 0.112 18299 76 1 1 . 1 1 15 15 CYS CA C 15 61.356 61.356 61.196 0.160 18299 77 1 1 . 1 1 15 15 CYS CB C 15 28.522 28.522 26.846 1.676 18299 78 1 1 . 1 1 15 15 CYS H H 15 7.853 7.853 8.338 -0.485 18299 79 1 1 . 1 1 16 16 ALA N N 16 121.907 121.907 122.540 -0.633 18299 80 1 1 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.108 -0.086 18299 81 1 1 . 1 1 16 16 ALA C C 16 180.089 180.089 179.453 0.636 18299 82 1 1 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.177 0.617 18299 83 1 1 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.129 0.153 18299 84 1 1 . 1 1 16 16 ALA H H 16 8.196 8.196 8.700 -0.504 18299 85 1 1 . 1 1 17 17 GLU N N 17 118.976 118.976 118.731 0.245 18299 86 1 1 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.097 -0.032 18299 87 1 1 . 1 1 17 17 GLU C C 17 178.541 178.541 178.378 0.163 18299 88 1 1 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.257 0.423 18299 89 1 1 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.456 -0.275 18299 90 1 1 . 1 1 17 17 GLU H H 17 8.518 8.518 7.831 0.687 18299 91 1 1 . 1 1 18 18 ALA N N 18 122.909 122.909 122.359 0.550 18299 92 1 1 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.101 -0.012 18299 93 1 1 . 1 1 18 18 ALA C C 18 179.665 179.665 179.850 -0.185 18299 94 1 1 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.620 0.464 18299 95 1 1 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.379 -0.234 18299 96 1 1 . 1 1 18 18 ALA H H 18 7.863 7.863 7.311 0.552 18299 97 1 1 . 1 1 19 19 VAL N N 19 118.050 118.050 118.133 -0.083 18299 98 1 1 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.644 -0.347 18299 99 1 1 . 1 1 19 19 VAL C C 19 176.602 176.602 177.915 -1.313 18299 100 1 1 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.990 0.311 18299 101 1 1 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.566 -0.095 18299 102 1 1 . 1 1 19 19 VAL H H 19 7.989 7.989 8.407 -0.418 18299 103 1 1 . 1 1 20 20 SER N N 20 113.425 113.425 114.923 -1.498 18299 104 1 1 . 1 1 20 20 SER HA H 20 4.086 4.086 4.065 0.021 18299 105 1 1 . 1 1 20 20 SER C C 20 175.600 175.600 176.259 -0.659 18299 106 1 1 . 1 1 20 20 SER CA C 20 62.064 62.064 61.405 0.659 18299 107 1 1 . 1 1 20 20 SER CB C 20 62.443 62.443 62.614 -0.171 18299 108 1 1 . 1 1 20 20 SER H H 20 7.808 7.808 7.652 0.156 18299 109 1 1 . 1 1 21 21 ARG N N 21 119.858 119.858 121.686 -1.828 18299 110 1 1 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.982 0.022 18299 111 1 1 . 1 1 21 21 ARG C C 21 180.231 180.231 178.406 1.825 18299 112 1 1 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.980 1.090 18299 113 1 1 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.023 0.453 18299 114 1 1 . 1 1 21 21 ARG H H 21 8.086 8.086 7.546 0.540 18299 115 1 1 . 1 1 22 22 VAL N N 22 112.224 112.224 116.862 -4.638 18299 116 1 1 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.734 0.288 18299 117 1 1 . 1 1 22 22 VAL C C 22 179.211 179.211 176.839 2.372 18299 118 1 1 . 1 1 22 22 VAL CA C 22 64.946 64.946 64.730 0.216 18299 119 1 1 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.290 -0.627 18299 120 1 1 . 1 1 22 22 VAL H H 22 7.943 7.943 7.471 0.472 18299 121 1 1 . 1 1 23 23 LEU N N 23 122.146 122.146 121.738 0.408 18299 122 1 1 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.928 0.058 18299 123 1 1 . 1 1 23 23 LEU C C 23 178.347 178.347 178.016 0.331 18299 124 1 1 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.245 0.004 18299 125 1 1 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.578 -0.728 18299 126 1 1 . 1 1 23 23 LEU H H 23 7.692 7.692 7.803 -0.111 18299 127 1 1 . 1 1 24 24 ASN N N 24 118.578 118.578 116.539 2.039 18299 128 1 1 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.234 0.295 18299 129 1 1 . 1 1 24 24 ASN C C 24 178.060 178.060 176.227 1.833 18299 130 1 1 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.369 -0.763 18299 131 1 1 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.359 -1.167 18299 132 1 1 . 1 1 24 24 ASN H H 24 8.683 8.683 7.759 0.924 18299 133 1 1 . 1 1 25 25 LYS N N 25 118.395 118.395 118.625 -0.230 18299 134 1 1 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.117 -0.053 18299 135 1 1 . 1 1 25 25 LYS C C 25 177.770 177.770 178.681 -0.911 18299 136 1 1 . 1 1 25 25 LYS CA C 25 58.245 58.245 57.830 0.416 18299 137 1 1 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.127 0.059 18299 138 1 1 . 1 1 25 25 LYS H H 25 7.469 7.469 7.422 0.047 18299 139 1 1 . 1 1 26 26 LEU N N 26 121.105 121.105 119.302 1.803 18299 140 1 1 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.252 -0.161 18299 141 1 1 . 1 1 26 26 LEU C C 26 178.609 178.609 178.011 0.598 18299 142 1 1 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.468 1.274 18299 143 1 1 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.027 0.164 18299 144 1 1 . 1 1 26 26 LEU H H 26 7.209 7.209 7.326 -0.117 18299 145 1 1 . 1 1 27 27 GLY N N 27 104.036 104.036 104.364 -0.328 18299 146 1 1 . 1 1 27 27 GLY C C 27 173.508 173.508 175.072 -1.564 18299 147 1 1 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.040 -0.807 18299 148 1 1 . 1 1 27 27 GLY H H 27 7.691 7.691 8.483 -0.792 18299 149 1 1 . 1 1 28 28 GLY N N 28 106.538 106.538 108.664 -2.126 18299 150 1 1 . 1 1 28 28 GLY C C 28 175.737 175.737 174.191 1.546 18299 151 1 1 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.916 1.702 18299 152 1 1 . 1 1 28 28 GLY H H 28 8.603 8.603 7.681 0.922 18299 153 1 1 . 1 1 29 29 VAL N N 29 112.116 112.116 113.866 -1.750 18299 154 1 1 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.416 0.533 18299 155 1 1 . 1 1 29 29 VAL C C 29 174.487 174.487 175.395 -0.908 18299 156 1 1 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.772 0.966 18299 157 1 1 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.885 2.629 18299 158 1 1 . 1 1 29 29 VAL H H 29 7.974 7.974 7.204 0.770 18299 159 1 1 . 1 1 30 30 LYS N N 30 124.568 124.568 120.855 3.713 18299 160 1 1 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.370 0.278 18299 161 1 1 . 1 1 30 30 LYS C C 30 174.964 174.964 175.679 -0.715 18299 162 1 1 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.304 -1.301 18299 163 1 1 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.603 2.036 18299 164 1 1 . 1 1 30 30 LYS H H 30 8.370 8.370 8.733 -0.363 18299 165 1 1 . 1 1 31 31 TYR N N 31 121.504 121.504 118.394 3.110 18299 166 1 1 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.235 0.749 18299 167 1 1 . 1 1 31 31 TYR C C 31 172.758 172.758 174.188 -1.430 18299 168 1 1 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.654 -0.530 18299 169 1 1 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.805 0.976 18299 170 1 1 . 1 1 31 31 TYR H H 31 8.531 8.531 7.973 0.558 18299 171 1 1 . 1 1 32 32 ASP N N 32 119.262 119.262 121.739 -2.477 18299 172 1 1 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.879 0.113 18299 173 1 1 . 1 1 32 32 ASP C C 32 174.839 174.839 174.425 0.414 18299 174 1 1 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.386 -0.103 18299 175 1 1 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.834 0.017 18299 176 1 1 . 1 1 32 32 ASP H H 32 8.750 8.750 8.322 0.428 18299 177 1 1 . 1 1 33 33 ILE N N 33 124.951 124.951 122.672 2.279 18299 178 1 1 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.360 -0.001 18299 179 1 1 . 1 1 33 33 ILE C C 33 173.855 173.855 174.689 -0.834 18299 180 1 1 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.549 1.383 18299 181 1 1 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.169 0.465 18299 182 1 1 . 1 1 33 33 ILE H H 33 9.001 9.001 8.457 0.544 18299 183 1 1 . 1 1 34 34 ASP N N 34 130.202 130.202 129.118 1.084 18299 184 1 1 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.046 -0.071 18299 185 1 1 . 1 1 34 34 ASP C C 34 175.761 175.761 175.847 -0.086 18299 186 1 1 . 1 1 34 34 ASP CA C 34 51.809 51.809 52.895 -1.086 18299 187 1 1 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.575 -0.334 18299 188 1 1 . 1 1 34 34 ASP H H 34 9.033 9.033 8.279 0.754 18299 189 1 1 . 1 1 35 35 LEU N N 35 123.830 123.830 125.624 -1.794 18299 190 1 1 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.192 0.118 18299 191 1 1 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.303 0.559 18299 192 1 1 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.092 -0.740 18299 193 1 1 . 1 1 35 35 LEU H H 35 8.888 8.888 8.805 0.083 18299 194 1 1 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.229 0.067 18299 195 1 1 . 1 1 36 36 PRO C C 36 177.959 177.959 177.415 0.544 18299 196 1 1 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.471 0.915 18299 197 1 1 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.094 0.399 18299 198 1 1 . 1 1 37 37 ASN N N 37 110.308 110.308 112.413 -2.105 18299 199 1 1 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.810 0.089 18299 200 1 1 . 1 1 37 37 ASN C C 37 172.880 172.880 174.409 -1.529 18299 201 1 1 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.792 -0.184 18299 202 1 1 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.764 -1.220 18299 203 1 1 . 1 1 37 37 ASN H H 37 7.255 7.255 7.526 -0.271 18299 204 1 1 . 1 1 38 38 LYS N N 38 119.648 119.648 117.220 2.428 18299 205 1 1 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.927 -0.095 18299 206 1 1 . 1 1 38 38 LYS C C 38 175.375 175.375 174.604 0.771 18299 207 1 1 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.324 0.904 18299 208 1 1 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.546 -0.094 18299 209 1 1 . 1 1 38 38 LYS H H 38 8.328 8.328 8.013 0.315 18299 210 1 1 . 1 1 39 39 LYS N N 39 116.950 116.950 115.369 1.581 18299 211 1 1 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.740 0.914 18299 212 1 1 . 1 1 39 39 LYS C C 39 174.797 174.797 174.184 0.613 18299 213 1 1 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.852 0.051 18299 214 1 1 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.603 1.016 18299 215 1 1 . 1 1 39 39 LYS H H 39 8.203 8.203 7.360 0.843 18299 216 1 1 . 1 1 40 40 VAL N N 40 121.279 121.279 122.678 -1.399 18299 217 1 1 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.962 0.012 18299 218 1 1 . 1 1 40 40 VAL C C 40 173.992 173.992 175.221 -1.229 18299 219 1 1 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.898 -0.207 18299 220 1 1 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.307 1.510 18299 221 1 1 . 1 1 40 40 VAL H H 40 9.115 9.115 8.200 0.915 18299 222 1 1 . 1 1 41 41 CYS N N 41 126.779 126.779 124.858 1.921 18299 223 1 1 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.096 0.539 18299 224 1 1 . 1 1 41 41 CYS C C 41 174.839 174.839 174.115 0.724 18299 225 1 1 . 1 1 41 41 CYS CA C 41 56.971 56.971 56.737 0.234 18299 226 1 1 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.498 0.640 18299 227 1 1 . 1 1 41 41 CYS H H 41 8.767 8.767 8.420 0.347 18299 228 1 1 . 1 1 42 42 ILE N N 42 125.941 125.941 123.818 2.123 18299 229 1 1 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.930 0.049 18299 230 1 1 . 1 1 42 42 ILE C C 42 174.113 174.113 173.768 0.345 18299 231 1 1 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.405 1.824 18299 232 1 1 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.157 0.282 18299 233 1 1 . 1 1 42 42 ILE H H 42 9.697 9.697 8.573 1.124 18299 234 1 1 . 1 1 43 43 GLU N N 43 130.488 130.488 128.017 2.471 18299 235 1 1 . 1 1 43 43 GLU HA H 43 5.456 5.456 5.019 0.437 18299 236 1 1 . 1 1 43 43 GLU C C 43 176.185 176.185 175.054 1.131 18299 237 1 1 . 1 1 43 43 GLU CA C 43 54.885 54.885 54.538 0.347 18299 238 1 1 . 1 1 43 43 GLU CB C 43 32.026 32.026 30.657 1.369 18299 239 1 1 . 1 1 43 43 GLU H H 43 9.510 9.510 8.440 1.070 18299 240 1 1 . 1 1 44 44 SER N N 44 119.391 119.391 120.329 -0.938 18299 241 1 1 . 1 1 44 44 SER HA H 44 4.868 4.868 4.892 -0.024 18299 242 1 1 . 1 1 44 44 SER C C 44 173.026 173.026 175.049 -2.023 18299 243 1 1 . 1 1 44 44 SER CA C 44 59.104 59.104 56.247 2.857 18299 244 1 1 . 1 1 44 44 SER CB C 44 66.159 66.159 66.850 -0.691 18299 245 1 1 . 1 1 44 44 SER H H 44 8.681 8.681 8.188 0.493 18299 246 1 1 . 1 1 45 45 GLU N N 45 121.420 121.420 120.656 0.764 18299 247 1 1 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.261 0.293 18299 248 1 1 . 1 1 45 45 GLU C C 45 177.473 177.473 177.027 0.446 18299 249 1 1 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.676 -2.469 18299 250 1 1 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.611 0.240 18299 251 1 1 . 1 1 45 45 GLU H H 45 9.026 9.026 9.054 -0.028 18299 252 1 1 . 1 1 46 46 HIS N N 46 119.653 119.653 117.449 2.204 18299 253 1 1 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.802 -0.159 18299 254 1 1 . 1 1 46 46 HIS C C 46 175.514 175.514 174.410 1.104 18299 255 1 1 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.761 0.153 18299 256 1 1 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.389 1.336 18299 257 1 1 . 1 1 46 46 HIS H H 46 8.423 8.423 8.087 0.336 18299 258 1 1 . 1 1 47 47 SER N N 47 116.562 116.562 114.219 2.343 18299 259 1 1 . 1 1 47 47 SER HA H 47 4.349 4.349 4.197 0.152 18299 260 1 1 . 1 1 47 47 SER C C 47 174.638 174.638 174.055 0.583 18299 261 1 1 . 1 1 47 47 SER CA C 47 57.438 57.438 59.391 -1.952 18299 262 1 1 . 1 1 47 47 SER CB C 47 65.022 65.022 63.446 1.576 18299 263 1 1 . 1 1 47 47 SER H H 47 9.093 9.093 8.452 0.641 18299 264 1 1 . 1 1 48 48 MET N N 48 121.402 121.402 121.257 0.145 18299 265 1 1 . 1 1 48 48 MET HA H 48 3.412 3.412 4.252 -0.840 18299 266 1 1 . 1 1 48 48 MET C C 48 177.797 177.797 174.296 3.501 18299 267 1 1 . 1 1 48 48 MET CA C 48 60.298 60.298 57.122 3.176 18299 268 1 1 . 1 1 48 48 MET CB C 48 30.776 30.776 31.371 -0.595 18299 269 1 1 . 1 1 48 48 MET H H 48 8.920 8.920 9.073 -0.153 18299 270 1 1 . 1 1 49 49 ASP N N 49 116.251 116.251 118.241 -1.990 18299 271 1 1 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.553 -0.351 18299 272 1 1 . 1 1 49 49 ASP C C 49 179.291 179.291 176.901 2.390 18299 273 1 1 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.248 2.307 18299 274 1 1 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.916 -0.064 18299 275 1 1 . 1 1 49 49 ASP H H 49 8.345 8.345 8.239 0.106 18299 276 1 1 . 1 1 50 50 THR N N 50 120.023 120.023 115.670 4.353 18299 277 1 1 . 1 1 50 50 THR HA H 50 4.305 4.305 4.157 0.148 18299 278 1 1 . 1 1 50 50 THR C C 50 177.416 177.416 176.097 1.319 18299 279 1 1 . 1 1 50 50 THR CA C 50 66.392 66.392 65.440 0.952 18299 280 1 1 . 1 1 50 50 THR CB C 50 68.452 68.452 68.802 -0.349 18299 281 1 1 . 1 1 50 50 THR H H 50 8.019 8.019 8.157 -0.138 18299 282 1 1 . 1 1 51 51 LEU N N 51 124.562 124.562 120.102 4.460 18299 283 1 1 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.957 -0.449 18299 284 1 1 . 1 1 51 51 LEU C C 51 177.386 177.386 178.333 -0.947 18299 285 1 1 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.013 0.450 18299 286 1 1 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.834 1.534 18299 287 1 1 . 1 1 51 51 LEU H H 51 8.043 8.043 8.151 -0.108 18299 288 1 1 . 1 1 52 52 LEU N N 52 120.718 120.718 116.966 3.752 18299 289 1 1 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.490 0.056 18299 290 1 1 . 1 1 52 52 LEU C C 52 178.065 178.065 178.721 -0.656 18299 291 1 1 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.765 0.706 18299 292 1 1 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.124 2.577 18299 293 1 1 . 1 1 52 52 LEU H H 52 8.993 8.993 7.450 1.543 18299 294 1 1 . 1 1 53 53 ALA N N 53 118.641 118.641 121.564 -2.923 18299 295 1 1 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.877 0.036 18299 296 1 1 . 1 1 53 53 ALA C C 53 180.677 180.677 179.617 1.060 18299 297 1 1 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.016 0.019 18299 298 1 1 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.069 0.100 18299 299 1 1 . 1 1 53 53 ALA H H 53 7.859 7.859 7.709 0.150 18299 300 1 1 . 1 1 54 54 THR N N 54 114.407 114.407 115.969 -1.562 18299 301 1 1 . 1 1 54 54 THR HA H 54 3.662 3.662 3.932 -0.270 18299 302 1 1 . 1 1 54 54 THR C C 54 175.694 175.694 176.422 -0.728 18299 303 1 1 . 1 1 54 54 THR CA C 54 67.449 67.449 67.250 0.199 18299 304 1 1 . 1 1 54 54 THR CB C 54 68.226 68.226 68.868 -0.642 18299 305 1 1 . 1 1 54 54 THR H H 54 7.688 7.688 7.444 0.244 18299 306 1 1 . 1 1 55 55 LEU N N 55 119.491 119.491 120.755 -1.264 18299 307 1 1 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.961 -0.159 18299 308 1 1 . 1 1 55 55 LEU C C 55 179.660 179.660 178.235 1.425 18299 309 1 1 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.901 -0.049 18299 310 1 1 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.459 1.548 18299 311 1 1 . 1 1 55 55 LEU H H 55 8.104 8.104 8.360 -0.256 18299 312 1 1 . 1 1 56 56 LYS N N 56 119.317 119.317 116.941 2.376 18299 313 1 1 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.261 -0.292 18299 314 1 1 . 1 1 56 56 LYS C C 56 179.227 179.227 179.197 0.030 18299 315 1 1 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.383 1.393 18299 316 1 1 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.074 0.148 18299 317 1 1 . 1 1 56 56 LYS H H 56 8.333 8.333 8.115 0.218 18299 318 1 1 . 1 1 57 57 LYS N N 57 120.188 120.188 121.638 -1.450 18299 319 1 1 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.051 0.111 18299 320 1 1 . 1 1 57 57 LYS C C 57 178.128 178.128 177.645 0.483 18299 321 1 1 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.776 0.306 18299 322 1 1 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.828 0.624 18299 323 1 1 . 1 1 57 57 LYS H H 57 7.646 7.646 7.562 0.084 18299 324 1 1 . 1 1 58 58 THR N N 58 106.563 106.563 110.257 -3.694 18299 325 1 1 . 1 1 58 58 THR HA H 58 4.277 4.277 4.354 -0.077 18299 326 1 1 . 1 1 58 58 THR C C 58 175.933 175.933 174.896 1.037 18299 327 1 1 . 1 1 58 58 THR CA C 58 63.742 63.742 61.934 1.808 18299 328 1 1 . 1 1 58 58 THR CB C 58 71.108 71.108 69.066 2.042 18299 329 1 1 . 1 1 58 58 THR H H 58 7.483 7.483 7.970 -0.487 18299 330 1 1 . 1 1 59 59 GLY N N 59 108.569 108.569 110.279 -1.710 18299 331 1 1 . 1 1 59 59 GLY C C 59 173.171 173.171 174.387 -1.216 18299 332 1 1 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.533 -0.542 18299 333 1 1 . 1 1 59 59 GLY H H 59 7.774 7.774 7.969 -0.195 18299 334 1 1 . 1 1 60 60 ALA N N 60 122.420 122.420 122.818 -0.398 18299 335 1 1 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.428 0.078 18299 336 1 1 . 1 1 60 60 ALA C C 60 177.155 177.155 176.863 0.292 18299 337 1 1 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.507 -0.452 18299 338 1 1 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.099 0.210 18299 339 1 1 . 1 1 60 60 ALA H H 60 7.524 7.524 7.258 0.266 18299 340 1 1 . 1 1 61 61 THR N N 61 117.690 117.690 116.802 0.888 18299 341 1 1 . 1 1 61 61 THR HA H 61 4.321 4.321 4.138 0.183 18299 342 1 1 . 1 1 61 61 THR C C 61 174.635 174.635 173.673 0.962 18299 343 1 1 . 1 1 61 61 THR CA C 61 63.922 63.922 63.856 0.066 18299 344 1 1 . 1 1 61 61 THR CB C 61 68.904 68.904 69.538 -0.634 18299 345 1 1 . 1 1 61 61 THR H H 61 8.491 8.491 8.295 0.196 18299 346 1 1 . 1 1 62 62 VAL N N 62 129.030 129.030 123.976 5.054 18299 347 1 1 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.681 0.633 18299 348 1 1 . 1 1 62 62 VAL C C 62 174.947 174.947 175.032 -0.085 18299 349 1 1 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.115 -0.800 18299 350 1 1 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.119 0.545 18299 351 1 1 . 1 1 62 62 VAL H H 62 8.709 8.709 8.201 0.508 18299 352 1 1 . 1 1 63 63 SER N N 63 119.588 119.588 126.041 -6.453 18299 353 1 1 . 1 1 63 63 SER HA H 63 4.865 4.865 5.101 -0.236 18299 354 1 1 . 1 1 63 63 SER C C 63 173.019 173.019 172.601 0.418 18299 355 1 1 . 1 1 63 63 SER CA C 63 57.347 57.347 57.569 -0.222 18299 356 1 1 . 1 1 63 63 SER CB C 63 65.605 65.605 65.753 -0.148 18299 357 1 1 . 1 1 63 63 SER H H 63 8.988 8.988 9.132 -0.144 18299 358 1 1 . 1 1 64 64 TYR N N 64 125.400 125.400 126.536 -1.136 18299 359 1 1 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.581 0.998 18299 360 1 1 . 1 1 64 64 TYR C C 64 175.523 175.523 174.702 0.821 18299 361 1 1 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.469 0.985 18299 362 1 1 . 1 1 64 64 TYR CB C 64 39.022 39.022 37.717 1.305 18299 363 1 1 . 1 1 64 64 TYR H H 64 9.391 9.391 8.907 0.484 18299 364 1 1 . 1 1 65 65 LEU N N 65 128.500 128.500 126.501 1.999 18299 365 1 1 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.199 0.120 18299 366 1 1 . 1 1 65 65 LEU C C 65 176.473 176.473 177.108 -0.635 18299 367 1 1 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.003 -0.326 18299 368 1 1 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.120 -0.062 18299 369 1 1 . 1 1 65 65 LEU H H 65 8.304 8.304 8.610 -0.306 18299 370 1 1 . 1 1 66 66 GLY N N 66 105.737 105.737 106.019 -0.282 18299 371 1 1 . 1 1 66 66 GLY C C 66 171.330 171.330 171.790 -0.460 18299 372 1 1 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.355 0.681 18299 373 1 1 . 1 1 66 66 GLY H H 66 5.977 5.977 7.654 -1.677 18299 374 1 1 . 1 1 67 67 LEU N N 67 120.133 120.133 115.868 4.265 18299 375 1 1 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.758 0.024 18299 376 1 1 . 1 1 67 67 LEU C C 67 177.339 177.339 175.886 1.453 18299 377 1 1 . 1 1 67 67 LEU CA C 67 54.376 54.376 52.985 1.391 18299 378 1 1 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.453 -0.572 18299 379 1 1 . 1 1 67 67 LEU H H 67 7.947 7.947 8.208 -0.261 18299 380 1 2 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.672 -0.419 18299 381 1 2 . 1 1 2 2 PRO C C 2 174.299 174.299 175.898 -1.599 18299 382 1 2 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.663 0.672 18299 383 1 2 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.595 0.038 18299 384 1 2 . 1 1 3 3 LYS N N 3 121.020 121.020 120.239 0.781 18299 385 1 2 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.354 0.580 18299 386 1 2 . 1 1 3 3 LYS C C 3 175.055 175.055 175.408 -0.353 18299 387 1 2 . 1 1 3 3 LYS CA C 3 54.894 54.894 56.019 -1.125 18299 388 1 2 . 1 1 3 3 LYS CB C 3 34.382 34.382 33.809 0.573 18299 389 1 2 . 1 1 3 3 LYS H H 3 8.038 8.038 8.390 -0.352 18299 390 1 2 . 1 1 4 4 HIS N N 4 122.815 122.815 122.382 0.433 18299 391 1 2 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.059 -0.100 18299 392 1 2 . 1 1 4 4 HIS C C 4 174.771 174.771 174.138 0.633 18299 393 1 2 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.322 1.720 18299 394 1 2 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.754 2.490 18299 395 1 2 . 1 1 4 4 HIS H H 4 8.908 8.908 8.585 0.323 18299 396 1 2 . 1 1 5 5 GLU N N 5 122.404 122.404 126.131 -3.727 18299 397 1 2 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.563 0.730 18299 398 1 2 . 1 1 5 5 GLU C C 5 174.389 174.389 174.408 -0.019 18299 399 1 2 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.464 0.384 18299 400 1 2 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.957 0.785 18299 401 1 2 . 1 1 5 5 GLU H H 5 8.951 8.951 8.294 0.657 18299 402 1 2 . 1 1 6 6 PHE N N 6 119.234 119.234 124.639 -5.405 18299 403 1 2 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.996 0.189 18299 404 1 2 . 1 1 6 6 PHE C C 6 175.130 175.130 173.786 1.344 18299 405 1 2 . 1 1 6 6 PHE CA C 6 56.746 56.746 57.035 -0.290 18299 406 1 2 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.270 -1.588 18299 407 1 2 . 1 1 6 6 PHE H H 6 9.075 9.075 8.177 0.898 18299 408 1 2 . 1 1 7 7 SER N N 7 118.028 118.028 117.476 0.552 18299 409 1 2 . 1 1 7 7 SER HA H 7 5.322 5.322 4.853 0.469 18299 410 1 2 . 1 1 7 7 SER C C 7 174.651 174.651 172.328 2.323 18299 411 1 2 . 1 1 7 7 SER CA C 7 56.636 56.636 57.361 -0.725 18299 412 1 2 . 1 1 7 7 SER CB C 7 63.983 63.983 64.877 -0.895 18299 413 1 2 . 1 1 7 7 SER H H 7 9.346 9.346 8.442 0.904 18299 414 1 2 . 1 1 8 8 VAL N N 8 125.476 125.476 127.634 -2.158 18299 415 1 2 . 1 1 8 8 VAL HA H 8 4.683 4.683 5.178 -0.495 18299 416 1 2 . 1 1 8 8 VAL C C 8 174.360 174.360 174.241 0.119 18299 417 1 2 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.695 1.325 18299 418 1 2 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.126 0.095 18299 419 1 2 . 1 1 8 8 VAL H H 8 8.129 8.129 8.434 -0.305 18299 420 1 2 . 1 1 9 9 ASP N N 9 124.989 124.989 129.840 -4.851 18299 421 1 2 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.681 0.015 18299 422 1 2 . 1 1 9 9 ASP C C 9 175.278 175.278 175.759 -0.481 18299 423 1 2 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.696 0.315 18299 424 1 2 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.648 -1.127 18299 425 1 2 . 1 1 9 9 ASP H H 9 8.285 8.285 8.100 0.185 18299 426 1 2 . 1 1 10 10 MET N N 10 125.927 125.927 124.075 1.852 18299 427 1 2 . 1 1 10 10 MET HA H 10 4.712 4.712 4.422 0.290 18299 428 1 2 . 1 1 10 10 MET C C 10 175.748 175.748 176.827 -1.079 18299 429 1 2 . 1 1 10 10 MET CA C 10 54.825 54.825 56.909 -2.084 18299 430 1 2 . 1 1 10 10 MET CB C 10 34.030 34.030 32.829 1.201 18299 431 1 2 . 1 1 10 10 MET H H 10 8.096 8.096 8.657 -0.561 18299 432 1 2 . 1 1 11 11 THR N N 11 116.339 116.339 119.541 -3.202 18299 433 1 2 . 1 1 11 11 THR HA H 11 4.326 4.326 4.431 -0.105 18299 434 1 2 . 1 1 11 11 THR C C 11 174.832 174.832 175.421 -0.589 18299 435 1 2 . 1 1 11 11 THR CA C 11 63.908 63.908 62.753 1.155 18299 436 1 2 . 1 1 11 11 THR CB C 11 69.529 69.529 69.546 -0.017 18299 437 1 2 . 1 1 11 11 THR H H 11 8.886 8.886 8.843 0.043 18299 438 1 2 . 1 1 12 12 CYS N N 12 117.534 117.534 121.811 -4.277 18299 439 1 2 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.786 0.009 18299 440 1 2 . 1 1 12 12 CYS C C 12 174.892 174.892 176.925 -2.033 18299 441 1 2 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.164 -0.549 18299 442 1 2 . 1 1 12 12 CYS CB C 12 29.481 29.481 28.116 1.365 18299 443 1 2 . 1 1 12 12 CYS H H 12 8.183 8.183 8.593 -0.410 18299 444 1 2 . 1 1 13 13 GLY N N 13 110.516 110.516 111.154 -0.638 18299 445 1 2 . 1 1 13 13 GLY C C 13 175.328 175.328 176.108 -0.780 18299 446 1 2 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.826 -1.245 18299 447 1 2 . 1 1 13 13 GLY H H 13 8.737 8.737 8.348 0.389 18299 448 1 2 . 1 1 14 14 GLY N N 14 110.521 110.521 108.301 2.220 18299 449 1 2 . 1 1 14 14 GLY C C 14 175.741 175.741 175.530 0.211 18299 450 1 2 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.629 -0.623 18299 451 1 2 . 1 1 14 14 GLY H H 14 8.677 8.677 8.251 0.426 18299 452 1 2 . 1 1 15 15 CYS N N 15 121.304 121.304 120.158 1.146 18299 453 1 2 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.371 -0.008 18299 454 1 2 . 1 1 15 15 CYS C C 15 176.557 176.557 176.509 0.048 18299 455 1 2 . 1 1 15 15 CYS CA C 15 61.356 61.356 61.137 0.219 18299 456 1 2 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.787 0.735 18299 457 1 2 . 1 1 15 15 CYS H H 15 7.853 7.853 8.313 -0.460 18299 458 1 2 . 1 1 16 16 ALA N N 16 121.907 121.907 122.223 -0.316 18299 459 1 2 . 1 1 16 16 ALA HA H 16 4.022 4.022 3.965 0.057 18299 460 1 2 . 1 1 16 16 ALA C C 16 180.089 180.089 178.717 1.372 18299 461 1 2 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.286 0.507 18299 462 1 2 . 1 1 16 16 ALA CB C 16 18.282 18.282 17.828 0.455 18299 463 1 2 . 1 1 16 16 ALA H H 16 8.196 8.196 8.755 -0.559 18299 464 1 2 . 1 1 17 17 GLU N N 17 118.976 118.976 118.827 0.149 18299 465 1 2 . 1 1 17 17 GLU HA H 17 4.065 4.065 3.958 0.107 18299 466 1 2 . 1 1 17 17 GLU C C 17 178.541 178.541 177.958 0.583 18299 467 1 2 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.293 0.387 18299 468 1 2 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.464 -0.283 18299 469 1 2 . 1 1 17 17 GLU H H 17 8.518 8.518 7.861 0.657 18299 470 1 2 . 1 1 18 18 ALA N N 18 122.909 122.909 120.336 2.573 18299 471 1 2 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.103 -0.014 18299 472 1 2 . 1 1 18 18 ALA C C 18 179.665 179.665 179.819 -0.154 18299 473 1 2 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.666 0.418 18299 474 1 2 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.262 -0.116 18299 475 1 2 . 1 1 18 18 ALA H H 18 7.863 7.863 7.323 0.540 18299 476 1 2 . 1 1 19 19 VAL N N 19 118.050 118.050 118.645 -0.595 18299 477 1 2 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.674 -0.377 18299 478 1 2 . 1 1 19 19 VAL C C 19 176.602 176.602 177.984 -1.382 18299 479 1 2 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.981 0.320 18299 480 1 2 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.131 0.340 18299 481 1 2 . 1 1 19 19 VAL H H 19 7.989 7.989 8.134 -0.145 18299 482 1 2 . 1 1 20 20 SER N N 20 113.425 113.425 115.585 -2.160 18299 483 1 2 . 1 1 20 20 SER HA H 20 4.086 4.086 4.111 -0.025 18299 484 1 2 . 1 1 20 20 SER C C 20 175.600 175.600 177.209 -1.609 18299 485 1 2 . 1 1 20 20 SER CA C 20 62.064 62.064 61.763 0.301 18299 486 1 2 . 1 1 20 20 SER CB C 20 62.443 62.443 62.814 -0.371 18299 487 1 2 . 1 1 20 20 SER H H 20 7.808 7.808 7.933 -0.125 18299 488 1 2 . 1 1 21 21 ARG N N 21 119.858 119.858 122.158 -2.300 18299 489 1 2 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.929 0.075 18299 490 1 2 . 1 1 21 21 ARG C C 21 180.231 180.231 178.697 1.534 18299 491 1 2 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.025 1.046 18299 492 1 2 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.874 0.602 18299 493 1 2 . 1 1 21 21 ARG H H 21 8.086 8.086 7.496 0.590 18299 494 1 2 . 1 1 22 22 VAL N N 22 112.224 112.224 119.635 -7.411 18299 495 1 2 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.664 0.358 18299 496 1 2 . 1 1 22 22 VAL C C 22 179.211 179.211 177.014 2.197 18299 497 1 2 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.118 -0.172 18299 498 1 2 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.546 -0.883 18299 499 1 2 . 1 1 22 22 VAL H H 22 7.943 7.943 7.359 0.584 18299 500 1 2 . 1 1 23 23 LEU N N 23 122.146 122.146 121.197 0.949 18299 501 1 2 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.001 -0.015 18299 502 1 2 . 1 1 23 23 LEU C C 23 178.347 178.347 177.784 0.563 18299 503 1 2 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.395 -0.146 18299 504 1 2 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.675 -0.826 18299 505 1 2 . 1 1 23 23 LEU H H 23 7.692 7.692 7.945 -0.253 18299 506 1 2 . 1 1 24 24 ASN N N 24 118.578 118.578 116.685 1.893 18299 507 1 2 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.262 0.267 18299 508 1 2 . 1 1 24 24 ASN C C 24 178.060 178.060 177.149 0.911 18299 509 1 2 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.451 -0.845 18299 510 1 2 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.309 -1.117 18299 511 1 2 . 1 1 24 24 ASN H H 24 8.683 8.683 7.947 0.736 18299 512 1 2 . 1 1 25 25 LYS N N 25 118.395 118.395 119.577 -1.182 18299 513 1 2 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.035 0.029 18299 514 1 2 . 1 1 25 25 LYS C C 25 177.770 177.770 178.691 -0.921 18299 515 1 2 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.534 -0.289 18299 516 1 2 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.245 -0.059 18299 517 1 2 . 1 1 25 25 LYS H H 25 7.469 7.469 7.514 -0.045 18299 518 1 2 . 1 1 26 26 LEU N N 26 121.105 121.105 118.729 2.376 18299 519 1 2 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.198 -0.107 18299 520 1 2 . 1 1 26 26 LEU C C 26 178.609 178.609 178.380 0.229 18299 521 1 2 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.625 1.117 18299 522 1 2 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.876 0.315 18299 523 1 2 . 1 1 26 26 LEU H H 26 7.209 7.209 7.593 -0.384 18299 524 1 2 . 1 1 27 27 GLY N N 27 104.036 104.036 105.448 -1.412 18299 525 1 2 . 1 1 27 27 GLY C C 27 173.508 173.508 174.823 -1.315 18299 526 1 2 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.453 -1.220 18299 527 1 2 . 1 1 27 27 GLY H H 27 7.691 7.691 8.412 -0.721 18299 528 1 2 . 1 1 28 28 GLY N N 28 106.538 106.538 107.345 -0.807 18299 529 1 2 . 1 1 28 28 GLY C C 28 175.737 175.737 174.220 1.517 18299 530 1 2 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.913 1.705 18299 531 1 2 . 1 1 28 28 GLY H H 28 8.603 8.603 8.526 0.077 18299 532 1 2 . 1 1 29 29 VAL N N 29 112.116 112.116 116.091 -3.975 18299 533 1 2 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.582 0.367 18299 534 1 2 . 1 1 29 29 VAL C C 29 174.487 174.487 175.670 -1.183 18299 535 1 2 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.394 0.344 18299 536 1 2 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.995 2.519 18299 537 1 2 . 1 1 29 29 VAL H H 29 7.974 7.974 7.342 0.632 18299 538 1 2 . 1 1 30 30 LYS N N 30 124.568 124.568 120.957 3.611 18299 539 1 2 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.441 0.207 18299 540 1 2 . 1 1 30 30 LYS C C 30 174.964 174.964 175.748 -0.784 18299 541 1 2 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.274 -1.271 18299 542 1 2 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.223 2.416 18299 543 1 2 . 1 1 30 30 LYS H H 30 8.370 8.370 8.761 -0.391 18299 544 1 2 . 1 1 31 31 TYR N N 31 121.504 121.504 119.580 1.924 18299 545 1 2 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.143 0.841 18299 546 1 2 . 1 1 31 31 TYR C C 31 172.758 172.758 173.719 -0.961 18299 547 1 2 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.859 -0.735 18299 548 1 2 . 1 1 31 31 TYR CB C 31 42.781 42.781 42.083 0.698 18299 549 1 2 . 1 1 31 31 TYR H H 31 8.531 8.531 8.079 0.452 18299 550 1 2 . 1 1 32 32 ASP N N 32 119.262 119.262 121.405 -2.143 18299 551 1 2 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.815 0.177 18299 552 1 2 . 1 1 32 32 ASP C C 32 174.839 174.839 174.632 0.207 18299 553 1 2 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.600 -0.317 18299 554 1 2 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.762 0.089 18299 555 1 2 . 1 1 32 32 ASP H H 32 8.750 8.750 8.352 0.398 18299 556 1 2 . 1 1 33 33 ILE N N 33 124.951 124.951 123.856 1.095 18299 557 1 2 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.355 0.004 18299 558 1 2 . 1 1 33 33 ILE C C 33 173.855 173.855 174.783 -0.928 18299 559 1 2 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.767 1.165 18299 560 1 2 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.757 -0.123 18299 561 1 2 . 1 1 33 33 ILE H H 33 9.001 9.001 8.536 0.465 18299 562 1 2 . 1 1 34 34 ASP N N 34 130.202 130.202 128.593 1.609 18299 563 1 2 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.034 -0.059 18299 564 1 2 . 1 1 34 34 ASP C C 34 175.761 175.761 175.820 -0.059 18299 565 1 2 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.062 -1.253 18299 566 1 2 . 1 1 34 34 ASP CB C 34 41.241 41.241 40.836 0.405 18299 567 1 2 . 1 1 34 34 ASP H H 34 9.033 9.033 8.240 0.793 18299 568 1 2 . 1 1 35 35 LEU N N 35 123.830 123.830 125.332 -1.502 18299 569 1 2 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.344 -0.034 18299 570 1 2 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.251 0.611 18299 571 1 2 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.874 -1.522 18299 572 1 2 . 1 1 35 35 LEU H H 35 8.888 8.888 8.735 0.153 18299 573 1 2 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.259 0.037 18299 574 1 2 . 1 1 36 36 PRO C C 36 177.959 177.959 178.105 -0.146 18299 575 1 2 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.621 0.765 18299 576 1 2 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.358 0.135 18299 577 1 2 . 1 1 37 37 ASN N N 37 110.308 110.308 113.901 -3.593 18299 578 1 2 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.813 0.086 18299 579 1 2 . 1 1 37 37 ASN C C 37 172.880 172.880 174.742 -1.862 18299 580 1 2 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.719 -0.111 18299 581 1 2 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.772 -1.227 18299 582 1 2 . 1 1 37 37 ASN H H 37 7.255 7.255 7.501 -0.246 18299 583 1 2 . 1 1 38 38 LYS N N 38 119.648 119.648 116.094 3.554 18299 584 1 2 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.927 -0.095 18299 585 1 2 . 1 1 38 38 LYS C C 38 175.375 175.375 174.815 0.560 18299 586 1 2 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.288 0.940 18299 587 1 2 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.515 -0.063 18299 588 1 2 . 1 1 38 38 LYS H H 38 8.328 8.328 7.858 0.470 18299 589 1 2 . 1 1 39 39 LYS N N 39 116.950 116.950 115.581 1.369 18299 590 1 2 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.663 0.991 18299 591 1 2 . 1 1 39 39 LYS C C 39 174.797 174.797 173.981 0.816 18299 592 1 2 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.734 0.170 18299 593 1 2 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.720 0.899 18299 594 1 2 . 1 1 39 39 LYS H H 39 8.203 8.203 7.384 0.819 18299 595 1 2 . 1 1 40 40 VAL N N 40 121.279 121.279 117.529 3.750 18299 596 1 2 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.935 0.039 18299 597 1 2 . 1 1 40 40 VAL C C 40 173.992 173.992 174.665 -0.673 18299 598 1 2 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.378 0.313 18299 599 1 2 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.112 1.705 18299 600 1 2 . 1 1 40 40 VAL H H 40 9.115 9.115 8.015 1.100 18299 601 1 2 . 1 1 41 41 CYS N N 41 126.779 126.779 126.489 0.290 18299 602 1 2 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.014 0.621 18299 603 1 2 . 1 1 41 41 CYS C C 41 174.839 174.839 173.432 1.407 18299 604 1 2 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.053 -0.082 18299 605 1 2 . 1 1 41 41 CYS CB C 41 29.139 29.139 29.062 0.077 18299 606 1 2 . 1 1 41 41 CYS H H 41 8.767 8.767 8.298 0.469 18299 607 1 2 . 1 1 42 42 ILE N N 42 125.941 125.941 128.131 -2.190 18299 608 1 2 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.849 0.130 18299 609 1 2 . 1 1 42 42 ILE C C 42 174.113 174.113 173.257 0.856 18299 610 1 2 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.486 1.743 18299 611 1 2 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.995 0.444 18299 612 1 2 . 1 1 42 42 ILE H H 42 9.697 9.697 8.535 1.162 18299 613 1 2 . 1 1 43 43 GLU N N 43 130.488 130.488 129.776 0.712 18299 614 1 2 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.816 0.640 18299 615 1 2 . 1 1 43 43 GLU C C 43 176.185 176.185 174.521 1.664 18299 616 1 2 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.525 -0.640 18299 617 1 2 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.753 0.274 18299 618 1 2 . 1 1 43 43 GLU H H 43 9.510 9.510 8.396 1.114 18299 619 1 2 . 1 1 44 44 SER N N 44 119.391 119.391 120.426 -1.035 18299 620 1 2 . 1 1 44 44 SER HA H 44 4.868 4.868 4.761 0.107 18299 621 1 2 . 1 1 44 44 SER C C 44 173.026 173.026 174.664 -1.638 18299 622 1 2 . 1 1 44 44 SER CA C 44 59.104 59.104 56.605 2.499 18299 623 1 2 . 1 1 44 44 SER CB C 44 66.159 66.159 65.369 0.790 18299 624 1 2 . 1 1 44 44 SER H H 44 8.681 8.681 8.608 0.073 18299 625 1 2 . 1 1 45 45 GLU N N 45 121.420 121.420 122.206 -0.786 18299 626 1 2 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.278 0.276 18299 627 1 2 . 1 1 45 45 GLU C C 45 177.473 177.473 176.934 0.539 18299 628 1 2 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.506 -2.299 18299 629 1 2 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.807 0.044 18299 630 1 2 . 1 1 45 45 GLU H H 45 9.026 9.026 8.838 0.188 18299 631 1 2 . 1 1 46 46 HIS N N 46 119.653 119.653 119.174 0.479 18299 632 1 2 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.652 -0.009 18299 633 1 2 . 1 1 46 46 HIS C C 46 175.514 175.514 174.754 0.760 18299 634 1 2 . 1 1 46 46 HIS CA C 46 56.915 56.915 57.360 -0.445 18299 635 1 2 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.592 1.133 18299 636 1 2 . 1 1 46 46 HIS H H 46 8.423 8.423 7.587 0.836 18299 637 1 2 . 1 1 47 47 SER N N 47 116.562 116.562 114.596 1.966 18299 638 1 2 . 1 1 47 47 SER HA H 47 4.349 4.349 4.339 0.010 18299 639 1 2 . 1 1 47 47 SER C C 47 174.638 174.638 173.362 1.276 18299 640 1 2 . 1 1 47 47 SER CA C 47 57.438 57.438 59.690 -2.252 18299 641 1 2 . 1 1 47 47 SER CB C 47 65.022 65.022 62.158 2.864 18299 642 1 2 . 1 1 47 47 SER H H 47 9.093 9.093 8.643 0.450 18299 643 1 2 . 1 1 48 48 MET N N 48 121.402 121.402 117.852 3.550 18299 644 1 2 . 1 1 48 48 MET HA H 48 3.412 3.412 4.589 -1.177 18299 645 1 2 . 1 1 48 48 MET C C 48 177.797 177.797 174.052 3.745 18299 646 1 2 . 1 1 48 48 MET CA C 48 60.298 60.298 55.953 4.345 18299 647 1 2 . 1 1 48 48 MET CB C 48 30.776 30.776 32.576 -1.800 18299 648 1 2 . 1 1 48 48 MET H H 48 8.920 8.920 8.178 0.742 18299 649 1 2 . 1 1 49 49 ASP N N 49 116.251 116.251 117.723 -1.472 18299 650 1 2 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.448 -0.246 18299 651 1 2 . 1 1 49 49 ASP C C 49 179.291 179.291 176.874 2.417 18299 652 1 2 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.493 2.062 18299 653 1 2 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.610 0.242 18299 654 1 2 . 1 1 49 49 ASP H H 49 8.345 8.345 8.211 0.134 18299 655 1 2 . 1 1 50 50 THR N N 50 120.023 120.023 117.214 2.809 18299 656 1 2 . 1 1 50 50 THR HA H 50 4.305 4.305 4.106 0.199 18299 657 1 2 . 1 1 50 50 THR C C 50 177.416 177.416 176.104 1.312 18299 658 1 2 . 1 1 50 50 THR CA C 50 66.392 66.392 64.396 1.996 18299 659 1 2 . 1 1 50 50 THR CB C 50 68.452 68.452 68.556 -0.104 18299 660 1 2 . 1 1 50 50 THR H H 50 8.019 8.019 8.277 -0.258 18299 661 1 2 . 1 1 51 51 LEU N N 51 124.562 124.562 121.089 3.473 18299 662 1 2 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.863 -0.355 18299 663 1 2 . 1 1 51 51 LEU C C 51 177.386 177.386 178.318 -0.932 18299 664 1 2 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.321 0.142 18299 665 1 2 . 1 1 51 51 LEU CB C 51 42.368 42.368 41.068 1.300 18299 666 1 2 . 1 1 51 51 LEU H H 51 8.043 8.043 8.087 -0.044 18299 667 1 2 . 1 1 52 52 LEU N N 52 120.718 120.718 116.349 4.369 18299 668 1 2 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.782 -0.236 18299 669 1 2 . 1 1 52 52 LEU C C 52 178.065 178.065 178.736 -0.671 18299 670 1 2 . 1 1 52 52 LEU CA C 52 58.471 58.471 58.082 0.389 18299 671 1 2 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.169 2.532 18299 672 1 2 . 1 1 52 52 LEU H H 52 8.993 8.993 7.684 1.309 18299 673 1 2 . 1 1 53 53 ALA N N 53 118.641 118.641 121.485 -2.844 18299 674 1 2 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.910 0.003 18299 675 1 2 . 1 1 53 53 ALA C C 53 180.677 180.677 179.689 0.988 18299 676 1 2 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.088 -0.053 18299 677 1 2 . 1 1 53 53 ALA CB C 53 18.169 18.169 17.977 0.192 18299 678 1 2 . 1 1 53 53 ALA H H 53 7.859 7.859 7.689 0.170 18299 679 1 2 . 1 1 54 54 THR N N 54 114.407 114.407 115.682 -1.275 18299 680 1 2 . 1 1 54 54 THR HA H 54 3.662 3.662 4.017 -0.355 18299 681 1 2 . 1 1 54 54 THR C C 54 175.694 175.694 176.566 -0.872 18299 682 1 2 . 1 1 54 54 THR CA C 54 67.449 67.449 65.905 1.544 18299 683 1 2 . 1 1 54 54 THR CB C 54 68.226 68.226 68.626 -0.400 18299 684 1 2 . 1 1 54 54 THR H H 54 7.688 7.688 7.605 0.083 18299 685 1 2 . 1 1 55 55 LEU N N 55 119.491 119.491 120.950 -1.459 18299 686 1 2 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.042 -0.240 18299 687 1 2 . 1 1 55 55 LEU C C 55 179.660 179.660 178.200 1.460 18299 688 1 2 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.701 0.150 18299 689 1 2 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.329 1.678 18299 690 1 2 . 1 1 55 55 LEU H H 55 8.104 8.104 8.548 -0.444 18299 691 1 2 . 1 1 56 56 LYS N N 56 119.317 119.317 117.229 2.088 18299 692 1 2 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.060 -0.091 18299 693 1 2 . 1 1 56 56 LYS C C 56 179.227 179.227 178.353 0.874 18299 694 1 2 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.382 1.394 18299 695 1 2 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.996 0.226 18299 696 1 2 . 1 1 56 56 LYS H H 56 8.333 8.333 8.385 -0.052 18299 697 1 2 . 1 1 57 57 LYS N N 57 120.188 120.188 118.133 2.055 18299 698 1 2 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.011 0.151 18299 699 1 2 . 1 1 57 57 LYS C C 57 178.128 178.128 177.793 0.335 18299 700 1 2 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.850 0.233 18299 701 1 2 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.142 0.310 18299 702 1 2 . 1 1 57 57 LYS H H 57 7.646 7.646 7.461 0.185 18299 703 1 2 . 1 1 58 58 THR N N 58 106.563 106.563 110.956 -4.393 18299 704 1 2 . 1 1 58 58 THR HA H 58 4.277 4.277 4.323 -0.046 18299 705 1 2 . 1 1 58 58 THR C C 58 175.933 175.933 175.504 0.429 18299 706 1 2 . 1 1 58 58 THR CA C 58 63.742 63.742 63.293 0.449 18299 707 1 2 . 1 1 58 58 THR CB C 58 71.108 71.108 70.227 0.881 18299 708 1 2 . 1 1 58 58 THR H H 58 7.483 7.483 7.478 0.005 18299 709 1 2 . 1 1 59 59 GLY N N 59 108.569 108.569 108.925 -0.356 18299 710 1 2 . 1 1 59 59 GLY C C 59 173.171 173.171 173.846 -0.675 18299 711 1 2 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.777 0.214 18299 712 1 2 . 1 1 59 59 GLY H H 59 7.774 7.774 7.539 0.235 18299 713 1 2 . 1 1 60 60 ALA N N 60 122.420 122.420 123.249 -0.829 18299 714 1 2 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.393 0.113 18299 715 1 2 . 1 1 60 60 ALA C C 60 177.155 177.155 177.585 -0.430 18299 716 1 2 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.700 -0.645 18299 717 1 2 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.131 0.177 18299 718 1 2 . 1 1 60 60 ALA H H 60 7.524 7.524 7.343 0.181 18299 719 1 2 . 1 1 61 61 THR N N 61 117.690 117.690 114.677 3.013 18299 720 1 2 . 1 1 61 61 THR HA H 61 4.321 4.321 4.319 0.002 18299 721 1 2 . 1 1 61 61 THR C C 61 174.635 174.635 174.571 0.064 18299 722 1 2 . 1 1 61 61 THR CA C 61 63.922 63.922 62.336 1.586 18299 723 1 2 . 1 1 61 61 THR CB C 61 68.904 68.904 68.855 0.049 18299 724 1 2 . 1 1 61 61 THR H H 61 8.491 8.491 8.611 -0.120 18299 725 1 2 . 1 1 62 62 VAL N N 62 129.030 129.030 121.548 7.482 18299 726 1 2 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.991 0.323 18299 727 1 2 . 1 1 62 62 VAL C C 62 174.947 174.947 175.177 -0.230 18299 728 1 2 . 1 1 62 62 VAL CA C 62 60.315 60.315 59.904 0.411 18299 729 1 2 . 1 1 62 62 VAL CB C 62 35.664 35.664 33.532 2.131 18299 730 1 2 . 1 1 62 62 VAL H H 62 8.709 8.709 8.343 0.366 18299 731 1 2 . 1 1 63 63 SER N N 63 119.588 119.588 122.736 -3.148 18299 732 1 2 . 1 1 63 63 SER HA H 63 4.865 4.865 4.853 0.012 18299 733 1 2 . 1 1 63 63 SER C C 63 173.019 173.019 172.547 0.472 18299 734 1 2 . 1 1 63 63 SER CA C 63 57.347 57.347 57.628 -0.281 18299 735 1 2 . 1 1 63 63 SER CB C 63 65.605 65.605 65.725 -0.120 18299 736 1 2 . 1 1 63 63 SER H H 63 8.988 8.988 8.464 0.524 18299 737 1 2 . 1 1 64 64 TYR N N 64 125.400 125.400 125.216 0.184 18299 738 1 2 . 1 1 64 64 TYR HA H 64 4.579 4.579 2.992 1.587 18299 739 1 2 . 1 1 64 64 TYR C C 64 175.523 175.523 174.387 1.136 18299 740 1 2 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.836 0.618 18299 741 1 2 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.238 0.784 18299 742 1 2 . 1 1 64 64 TYR H H 64 9.391 9.391 8.669 0.722 18299 743 1 2 . 1 1 65 65 LEU N N 65 128.500 128.500 127.148 1.352 18299 744 1 2 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.134 0.185 18299 745 1 2 . 1 1 65 65 LEU C C 65 176.473 176.473 177.150 -0.677 18299 746 1 2 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.708 -1.031 18299 747 1 2 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.649 -0.591 18299 748 1 2 . 1 1 65 65 LEU H H 65 8.304 8.304 8.178 0.126 18299 749 1 2 . 1 1 66 66 GLY N N 66 105.737 105.737 104.041 1.696 18299 750 1 2 . 1 1 66 66 GLY C C 66 171.330 171.330 171.959 -0.629 18299 751 1 2 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.930 0.106 18299 752 1 2 . 1 1 66 66 GLY H H 66 5.977 5.977 7.679 -1.702 18299 753 1 2 . 1 1 67 67 LEU N N 67 120.133 120.133 119.528 0.605 18299 754 1 2 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.710 0.072 18299 755 1 2 . 1 1 67 67 LEU C C 67 177.339 177.339 176.559 0.780 18299 756 1 2 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.308 0.068 18299 757 1 2 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.180 -0.299 18299 758 1 2 . 1 1 67 67 LEU H H 67 7.947 7.947 8.515 -0.568 18299 759 1 3 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.459 -0.206 18299 760 1 3 . 1 1 2 2 PRO C C 2 174.299 174.299 175.471 -1.172 18299 761 1 3 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.761 0.574 18299 762 1 3 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.042 0.591 18299 763 1 3 . 1 1 3 3 LYS N N 3 121.020 121.020 121.499 -0.479 18299 764 1 3 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.468 0.466 18299 765 1 3 . 1 1 3 3 LYS C C 3 175.055 175.055 174.837 0.218 18299 766 1 3 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.825 -0.931 18299 767 1 3 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.712 -0.330 18299 768 1 3 . 1 1 3 3 LYS H H 3 8.038 8.038 8.215 -0.177 18299 769 1 3 . 1 1 4 4 HIS N N 4 122.815 122.815 124.231 -1.416 18299 770 1 3 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.037 -0.078 18299 771 1 3 . 1 1 4 4 HIS C C 4 174.771 174.771 173.649 1.122 18299 772 1 3 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.517 0.525 18299 773 1 3 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.171 2.073 18299 774 1 3 . 1 1 4 4 HIS H H 4 8.908 8.908 8.297 0.611 18299 775 1 3 . 1 1 5 5 GLU N N 5 122.404 122.404 125.891 -3.487 18299 776 1 3 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.832 0.461 18299 777 1 3 . 1 1 5 5 GLU C C 5 174.389 174.389 174.530 -0.141 18299 778 1 3 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.008 0.840 18299 779 1 3 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.436 0.306 18299 780 1 3 . 1 1 5 5 GLU H H 5 8.951 8.951 8.212 0.739 18299 781 1 3 . 1 1 6 6 PHE N N 6 119.234 119.234 124.763 -5.529 18299 782 1 3 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.975 0.210 18299 783 1 3 . 1 1 6 6 PHE C C 6 175.130 175.130 174.203 0.927 18299 784 1 3 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.373 0.373 18299 785 1 3 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.610 -0.928 18299 786 1 3 . 1 1 6 6 PHE H H 6 9.075 9.075 8.685 0.390 18299 787 1 3 . 1 1 7 7 SER N N 7 118.028 118.028 118.082 -0.054 18299 788 1 3 . 1 1 7 7 SER HA H 7 5.322 5.322 4.815 0.507 18299 789 1 3 . 1 1 7 7 SER C C 7 174.651 174.651 172.648 2.003 18299 790 1 3 . 1 1 7 7 SER CA C 7 56.636 56.636 56.978 -0.342 18299 791 1 3 . 1 1 7 7 SER CB C 7 63.983 63.983 64.259 -0.276 18299 792 1 3 . 1 1 7 7 SER H H 7 9.346 9.346 8.292 1.054 18299 793 1 3 . 1 1 8 8 VAL N N 8 125.476 125.476 126.912 -1.436 18299 794 1 3 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.816 -0.133 18299 795 1 3 . 1 1 8 8 VAL C C 8 174.360 174.360 174.323 0.037 18299 796 1 3 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.625 1.395 18299 797 1 3 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.253 -0.032 18299 798 1 3 . 1 1 8 8 VAL H H 8 8.129 8.129 8.512 -0.384 18299 799 1 3 . 1 1 9 9 ASP N N 9 124.989 124.989 128.920 -3.931 18299 800 1 3 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.699 -0.003 18299 801 1 3 . 1 1 9 9 ASP C C 9 175.278 175.278 175.588 -0.310 18299 802 1 3 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.081 -0.070 18299 803 1 3 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.486 -0.965 18299 804 1 3 . 1 1 9 9 ASP H H 9 8.285 8.285 8.145 0.140 18299 805 1 3 . 1 1 10 10 MET N N 10 125.927 125.927 124.277 1.650 18299 806 1 3 . 1 1 10 10 MET HA H 10 4.712 4.712 4.447 0.265 18299 807 1 3 . 1 1 10 10 MET C C 10 175.748 175.748 176.226 -0.478 18299 808 1 3 . 1 1 10 10 MET CA C 10 54.825 54.825 56.196 -1.371 18299 809 1 3 . 1 1 10 10 MET CB C 10 34.030 34.030 32.279 1.751 18299 810 1 3 . 1 1 10 10 MET H H 10 8.096 8.096 8.535 -0.439 18299 811 1 3 . 1 1 11 11 THR N N 11 116.339 116.339 118.156 -1.817 18299 812 1 3 . 1 1 11 11 THR HA H 11 4.326 4.326 4.428 -0.102 18299 813 1 3 . 1 1 11 11 THR C C 11 174.832 174.832 175.537 -0.705 18299 814 1 3 . 1 1 11 11 THR CA C 11 63.908 63.908 62.825 1.083 18299 815 1 3 . 1 1 11 11 THR CB C 11 69.529 69.529 69.579 -0.050 18299 816 1 3 . 1 1 11 11 THR H H 11 8.886 8.886 8.602 0.284 18299 817 1 3 . 1 1 12 12 CYS N N 12 117.534 117.534 121.454 -3.920 18299 818 1 3 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.757 0.038 18299 819 1 3 . 1 1 12 12 CYS C C 12 174.892 174.892 176.305 -1.413 18299 820 1 3 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.028 -0.413 18299 821 1 3 . 1 1 12 12 CYS CB C 12 29.481 29.481 26.861 2.620 18299 822 1 3 . 1 1 12 12 CYS H H 12 8.183 8.183 8.407 -0.224 18299 823 1 3 . 1 1 13 13 GLY N N 13 110.516 110.516 111.062 -0.546 18299 824 1 3 . 1 1 13 13 GLY C C 13 175.328 175.328 176.095 -0.767 18299 825 1 3 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.837 -1.256 18299 826 1 3 . 1 1 13 13 GLY H H 13 8.737 8.737 8.365 0.372 18299 827 1 3 . 1 1 14 14 GLY N N 14 110.521 110.521 108.609 1.912 18299 828 1 3 . 1 1 14 14 GLY C C 14 175.741 175.741 175.861 -0.120 18299 829 1 3 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.933 -0.927 18299 830 1 3 . 1 1 14 14 GLY H H 14 8.677 8.677 8.429 0.248 18299 831 1 3 . 1 1 15 15 CYS N N 15 121.304 121.304 120.450 0.854 18299 832 1 3 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.503 -0.140 18299 833 1 3 . 1 1 15 15 CYS C C 15 176.557 176.557 176.653 -0.096 18299 834 1 3 . 1 1 15 15 CYS CA C 15 61.356 61.356 59.883 1.474 18299 835 1 3 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.117 1.405 18299 836 1 3 . 1 1 15 15 CYS H H 15 7.853 7.853 8.339 -0.486 18299 837 1 3 . 1 1 16 16 ALA N N 16 121.907 121.907 123.665 -1.758 18299 838 1 3 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.119 -0.097 18299 839 1 3 . 1 1 16 16 ALA C C 16 180.089 180.089 179.269 0.820 18299 840 1 3 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.007 0.787 18299 841 1 3 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.090 0.192 18299 842 1 3 . 1 1 16 16 ALA H H 16 8.196 8.196 8.741 -0.545 18299 843 1 3 . 1 1 17 17 GLU N N 17 118.976 118.976 119.280 -0.304 18299 844 1 3 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.039 0.026 18299 845 1 3 . 1 1 17 17 GLU C C 17 178.541 178.541 178.217 0.324 18299 846 1 3 . 1 1 17 17 GLU CA C 17 59.680 59.680 58.837 0.843 18299 847 1 3 . 1 1 17 17 GLU CB C 17 29.181 29.181 28.977 0.204 18299 848 1 3 . 1 1 17 17 GLU H H 17 8.518 8.518 7.934 0.584 18299 849 1 3 . 1 1 18 18 ALA N N 18 122.909 122.909 121.425 1.484 18299 850 1 3 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.175 -0.086 18299 851 1 3 . 1 1 18 18 ALA C C 18 179.665 179.665 180.276 -0.611 18299 852 1 3 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.560 0.524 18299 853 1 3 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.248 -0.103 18299 854 1 3 . 1 1 18 18 ALA H H 18 7.863 7.863 7.535 0.328 18299 855 1 3 . 1 1 19 19 VAL N N 19 118.050 118.050 119.834 -1.784 18299 856 1 3 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.627 -0.330 18299 857 1 3 . 1 1 19 19 VAL C C 19 176.602 176.602 178.367 -1.765 18299 858 1 3 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.976 0.325 18299 859 1 3 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.188 0.283 18299 860 1 3 . 1 1 19 19 VAL H H 19 7.989 7.989 8.017 -0.028 18299 861 1 3 . 1 1 20 20 SER N N 20 113.425 113.425 115.086 -1.661 18299 862 1 3 . 1 1 20 20 SER HA H 20 4.086 4.086 4.098 -0.012 18299 863 1 3 . 1 1 20 20 SER C C 20 175.600 175.600 176.584 -0.984 18299 864 1 3 . 1 1 20 20 SER CA C 20 62.064 62.064 61.623 0.440 18299 865 1 3 . 1 1 20 20 SER CB C 20 62.443 62.443 62.758 -0.315 18299 866 1 3 . 1 1 20 20 SER H H 20 7.808 7.808 7.774 0.034 18299 867 1 3 . 1 1 21 21 ARG N N 21 119.858 119.858 121.051 -1.193 18299 868 1 3 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.857 0.147 18299 869 1 3 . 1 1 21 21 ARG C C 21 180.231 180.231 178.457 1.774 18299 870 1 3 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.118 0.952 18299 871 1 3 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.956 0.520 18299 872 1 3 . 1 1 21 21 ARG H H 21 8.086 8.086 7.616 0.470 18299 873 1 3 . 1 1 22 22 VAL N N 22 112.224 112.224 119.383 -7.159 18299 874 1 3 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.660 0.362 18299 875 1 3 . 1 1 22 22 VAL C C 22 179.211 179.211 177.107 2.104 18299 876 1 3 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.751 -0.806 18299 877 1 3 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.281 -0.618 18299 878 1 3 . 1 1 22 22 VAL H H 22 7.943 7.943 7.746 0.197 18299 879 1 3 . 1 1 23 23 LEU N N 23 122.146 122.146 121.215 0.931 18299 880 1 3 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.992 -0.006 18299 881 1 3 . 1 1 23 23 LEU C C 23 178.347 178.347 178.082 0.265 18299 882 1 3 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.883 -0.634 18299 883 1 3 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.720 -0.870 18299 884 1 3 . 1 1 23 23 LEU H H 23 7.692 7.692 8.173 -0.481 18299 885 1 3 . 1 1 24 24 ASN N N 24 118.578 118.578 116.863 1.715 18299 886 1 3 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.324 0.205 18299 887 1 3 . 1 1 24 24 ASN C C 24 178.060 178.060 176.589 1.471 18299 888 1 3 . 1 1 24 24 ASN CA C 24 55.606 55.606 55.894 -0.288 18299 889 1 3 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.380 -1.188 18299 890 1 3 . 1 1 24 24 ASN H H 24 8.683 8.683 8.078 0.605 18299 891 1 3 . 1 1 25 25 LYS N N 25 118.395 118.395 118.839 -0.444 18299 892 1 3 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.041 0.023 18299 893 1 3 . 1 1 25 25 LYS C C 25 177.770 177.770 178.304 -0.534 18299 894 1 3 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.438 -0.193 18299 895 1 3 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.235 -0.049 18299 896 1 3 . 1 1 25 25 LYS H H 25 7.469 7.469 7.268 0.201 18299 897 1 3 . 1 1 26 26 LEU N N 26 121.105 121.105 118.381 2.724 18299 898 1 3 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.245 -0.154 18299 899 1 3 . 1 1 26 26 LEU C C 26 178.609 178.609 178.148 0.461 18299 900 1 3 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.460 1.282 18299 901 1 3 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.898 0.293 18299 902 1 3 . 1 1 26 26 LEU H H 26 7.209 7.209 7.779 -0.570 18299 903 1 3 . 1 1 27 27 GLY N N 27 104.036 104.036 103.651 0.385 18299 904 1 3 . 1 1 27 27 GLY C C 27 173.508 173.508 175.121 -1.613 18299 905 1 3 . 1 1 27 27 GLY CA C 27 44.233 44.233 44.992 -0.759 18299 906 1 3 . 1 1 27 27 GLY H H 27 7.691 7.691 8.192 -0.501 18299 907 1 3 . 1 1 28 28 GLY N N 28 106.538 106.538 109.410 -2.872 18299 908 1 3 . 1 1 28 28 GLY C C 28 175.737 175.737 174.342 1.395 18299 909 1 3 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.984 1.634 18299 910 1 3 . 1 1 28 28 GLY H H 28 8.603 8.603 7.785 0.818 18299 911 1 3 . 1 1 29 29 VAL N N 29 112.116 112.116 113.056 -0.940 18299 912 1 3 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.779 0.170 18299 913 1 3 . 1 1 29 29 VAL C C 29 174.487 174.487 175.429 -0.942 18299 914 1 3 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.091 0.647 18299 915 1 3 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.201 2.313 18299 916 1 3 . 1 1 29 29 VAL H H 29 7.974 7.974 7.303 0.671 18299 917 1 3 . 1 1 30 30 LYS N N 30 124.568 124.568 121.007 3.561 18299 918 1 3 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.277 0.371 18299 919 1 3 . 1 1 30 30 LYS C C 30 174.964 174.964 175.584 -0.620 18299 920 1 3 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.781 -1.778 18299 921 1 3 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.877 1.762 18299 922 1 3 . 1 1 30 30 LYS H H 30 8.370 8.370 8.692 -0.322 18299 923 1 3 . 1 1 31 31 TYR N N 31 121.504 121.504 119.580 1.924 18299 924 1 3 . 1 1 31 31 TYR HA H 31 5.984 5.984 4.847 1.137 18299 925 1 3 . 1 1 31 31 TYR C C 31 172.758 172.758 174.502 -1.744 18299 926 1 3 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.881 -0.757 18299 927 1 3 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.274 1.507 18299 928 1 3 . 1 1 31 31 TYR H H 31 8.531 8.531 7.963 0.568 18299 929 1 3 . 1 1 32 32 ASP N N 32 119.262 119.262 122.437 -3.175 18299 930 1 3 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.889 0.103 18299 931 1 3 . 1 1 32 32 ASP C C 32 174.839 174.839 174.635 0.204 18299 932 1 3 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.949 -0.666 18299 933 1 3 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.593 0.258 18299 934 1 3 . 1 1 32 32 ASP H H 32 8.750 8.750 8.309 0.441 18299 935 1 3 . 1 1 33 33 ILE N N 33 124.951 124.951 119.651 5.300 18299 936 1 3 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.871 -0.512 18299 937 1 3 . 1 1 33 33 ILE C C 33 173.855 173.855 174.812 -0.957 18299 938 1 3 . 1 1 33 33 ILE CA C 33 61.932 61.932 58.875 3.057 18299 939 1 3 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.463 0.171 18299 940 1 3 . 1 1 33 33 ILE H H 33 9.001 9.001 8.471 0.530 18299 941 1 3 . 1 1 34 34 ASP N N 34 130.202 130.202 128.026 2.176 18299 942 1 3 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.985 -0.010 18299 943 1 3 . 1 1 34 34 ASP C C 34 175.761 175.761 176.033 -0.272 18299 944 1 3 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.119 -1.310 18299 945 1 3 . 1 1 34 34 ASP CB C 34 41.241 41.241 40.555 0.686 18299 946 1 3 . 1 1 34 34 ASP H H 34 9.033 9.033 8.919 0.114 18299 947 1 3 . 1 1 35 35 LEU N N 35 123.830 123.830 125.939 -2.109 18299 948 1 3 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.255 0.055 18299 949 1 3 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.470 0.392 18299 950 1 3 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.080 -0.728 18299 951 1 3 . 1 1 35 35 LEU H H 35 8.888 8.888 8.710 0.178 18299 952 1 3 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.257 0.039 18299 953 1 3 . 1 1 36 36 PRO C C 36 177.959 177.959 177.556 0.403 18299 954 1 3 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.253 1.133 18299 955 1 3 . 1 1 36 36 PRO CB C 36 31.493 31.493 30.977 0.516 18299 956 1 3 . 1 1 37 37 ASN N N 37 110.308 110.308 115.919 -5.611 18299 957 1 3 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.791 0.108 18299 958 1 3 . 1 1 37 37 ASN C C 37 172.880 172.880 174.892 -2.012 18299 959 1 3 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.694 -0.086 18299 960 1 3 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.201 -0.656 18299 961 1 3 . 1 1 37 37 ASN H H 37 7.255 7.255 8.119 -0.864 18299 962 1 3 . 1 1 38 38 LYS N N 38 119.648 119.648 116.514 3.134 18299 963 1 3 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.933 -0.101 18299 964 1 3 . 1 1 38 38 LYS C C 38 175.375 175.375 174.582 0.793 18299 965 1 3 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.334 0.894 18299 966 1 3 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.720 -0.268 18299 967 1 3 . 1 1 38 38 LYS H H 38 8.328 8.328 8.031 0.297 18299 968 1 3 . 1 1 39 39 LYS N N 39 116.950 116.950 117.030 -0.080 18299 969 1 3 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.661 0.993 18299 970 1 3 . 1 1 39 39 LYS C C 39 174.797 174.797 174.206 0.591 18299 971 1 3 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.805 0.099 18299 972 1 3 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.038 0.581 18299 973 1 3 . 1 1 39 39 LYS H H 39 8.203 8.203 7.673 0.530 18299 974 1 3 . 1 1 40 40 VAL N N 40 121.279 121.279 120.222 1.057 18299 975 1 3 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.782 0.193 18299 976 1 3 . 1 1 40 40 VAL C C 40 173.992 173.992 174.181 -0.189 18299 977 1 3 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.677 0.014 18299 978 1 3 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.061 1.756 18299 979 1 3 . 1 1 40 40 VAL H H 40 9.115 9.115 8.107 1.008 18299 980 1 3 . 1 1 41 41 CYS N N 41 126.779 126.779 127.050 -0.271 18299 981 1 3 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.835 0.800 18299 982 1 3 . 1 1 41 41 CYS C C 41 174.839 174.839 173.165 1.674 18299 983 1 3 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.142 -0.172 18299 984 1 3 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.904 0.235 18299 985 1 3 . 1 1 41 41 CYS H H 41 8.767 8.767 8.918 -0.151 18299 986 1 3 . 1 1 42 42 ILE N N 42 125.941 125.941 125.110 0.831 18299 987 1 3 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.906 0.073 18299 988 1 3 . 1 1 42 42 ILE C C 42 174.113 174.113 173.388 0.725 18299 989 1 3 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.621 1.608 18299 990 1 3 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.080 0.359 18299 991 1 3 . 1 1 42 42 ILE H H 42 9.697 9.697 8.208 1.489 18299 992 1 3 . 1 1 43 43 GLU N N 43 130.488 130.488 126.259 4.229 18299 993 1 3 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.725 0.731 18299 994 1 3 . 1 1 43 43 GLU C C 43 176.185 176.185 174.863 1.322 18299 995 1 3 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.589 -0.704 18299 996 1 3 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.745 0.281 18299 997 1 3 . 1 1 43 43 GLU H H 43 9.510 9.510 8.196 1.314 18299 998 1 3 . 1 1 44 44 SER N N 44 119.391 119.391 120.753 -1.362 18299 999 1 3 . 1 1 44 44 SER HA H 44 4.868 4.868 4.638 0.230 18299 1000 1 3 . 1 1 44 44 SER C C 44 173.026 173.026 174.954 -1.928 18299 1001 1 3 . 1 1 44 44 SER CA C 44 59.104 59.104 55.764 3.340 18299 1002 1 3 . 1 1 44 44 SER CB C 44 66.159 66.159 65.371 0.788 18299 1003 1 3 . 1 1 44 44 SER H H 44 8.681 8.681 8.192 0.489 18299 1004 1 3 . 1 1 45 45 GLU N N 45 121.420 121.420 122.051 -0.631 18299 1005 1 3 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.008 0.546 18299 1006 1 3 . 1 1 45 45 GLU C C 45 177.473 177.473 177.212 0.261 18299 1007 1 3 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.779 -2.572 18299 1008 1 3 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.553 0.298 18299 1009 1 3 . 1 1 45 45 GLU H H 45 9.026 9.026 8.743 0.283 18299 1010 1 3 . 1 1 46 46 HIS N N 46 119.653 119.653 115.464 4.189 18299 1011 1 3 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.729 -0.086 18299 1012 1 3 . 1 1 46 46 HIS C C 46 175.514 175.514 174.982 0.532 18299 1013 1 3 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.513 0.402 18299 1014 1 3 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.346 0.379 18299 1015 1 3 . 1 1 46 46 HIS H H 46 8.423 8.423 7.596 0.827 18299 1016 1 3 . 1 1 47 47 SER N N 47 116.562 116.562 114.241 2.321 18299 1017 1 3 . 1 1 47 47 SER HA H 47 4.349 4.349 3.983 0.366 18299 1018 1 3 . 1 1 47 47 SER C C 47 174.638 174.638 174.170 0.468 18299 1019 1 3 . 1 1 47 47 SER CA C 47 57.438 57.438 58.154 -0.716 18299 1020 1 3 . 1 1 47 47 SER CB C 47 65.022 65.022 63.179 1.843 18299 1021 1 3 . 1 1 47 47 SER H H 47 9.093 9.093 8.248 0.845 18299 1022 1 3 . 1 1 48 48 MET N N 48 121.402 121.402 118.936 2.466 18299 1023 1 3 . 1 1 48 48 MET HA H 48 3.412 3.412 3.871 -0.459 18299 1024 1 3 . 1 1 48 48 MET C C 48 177.797 177.797 173.720 4.077 18299 1025 1 3 . 1 1 48 48 MET CA C 48 60.298 60.298 56.814 3.484 18299 1026 1 3 . 1 1 48 48 MET CB C 48 30.776 30.776 31.735 -0.959 18299 1027 1 3 . 1 1 48 48 MET H H 48 8.920 8.920 8.443 0.477 18299 1028 1 3 . 1 1 49 49 ASP N N 49 116.251 116.251 115.811 0.440 18299 1029 1 3 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.700 -0.498 18299 1030 1 3 . 1 1 49 49 ASP C C 49 179.291 179.291 177.216 2.075 18299 1031 1 3 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.487 2.068 18299 1032 1 3 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.559 0.292 18299 1033 1 3 . 1 1 49 49 ASP H H 49 8.345 8.345 8.061 0.284 18299 1034 1 3 . 1 1 50 50 THR N N 50 120.023 120.023 117.283 2.740 18299 1035 1 3 . 1 1 50 50 THR HA H 50 4.305 4.305 4.194 0.111 18299 1036 1 3 . 1 1 50 50 THR C C 50 177.416 177.416 176.162 1.254 18299 1037 1 3 . 1 1 50 50 THR CA C 50 66.392 66.392 65.480 0.912 18299 1038 1 3 . 1 1 50 50 THR CB C 50 68.452 68.452 68.637 -0.185 18299 1039 1 3 . 1 1 50 50 THR H H 50 8.019 8.019 8.269 -0.250 18299 1040 1 3 . 1 1 51 51 LEU N N 51 124.562 124.562 120.674 3.888 18299 1041 1 3 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.936 -0.428 18299 1042 1 3 . 1 1 51 51 LEU C C 51 177.386 177.386 178.791 -1.405 18299 1043 1 3 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.606 -0.143 18299 1044 1 3 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.712 2.655 18299 1045 1 3 . 1 1 51 51 LEU H H 51 8.043 8.043 7.690 0.353 18299 1046 1 3 . 1 1 52 52 LEU N N 52 120.718 120.718 116.187 4.531 18299 1047 1 3 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.136 -0.590 18299 1048 1 3 . 1 1 52 52 LEU C C 52 178.065 178.065 178.741 -0.676 18299 1049 1 3 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.919 0.552 18299 1050 1 3 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.524 2.177 18299 1051 1 3 . 1 1 52 52 LEU H H 52 8.993 8.993 7.663 1.330 18299 1052 1 3 . 1 1 53 53 ALA N N 53 118.641 118.641 121.845 -3.204 18299 1053 1 3 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.965 -0.052 18299 1054 1 3 . 1 1 53 53 ALA C C 53 180.677 180.677 179.740 0.937 18299 1055 1 3 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.199 -0.164 18299 1056 1 3 . 1 1 53 53 ALA CB C 53 18.169 18.169 17.934 0.235 18299 1057 1 3 . 1 1 53 53 ALA H H 53 7.859 7.859 7.745 0.114 18299 1058 1 3 . 1 1 54 54 THR N N 54 114.407 114.407 115.507 -1.100 18299 1059 1 3 . 1 1 54 54 THR HA H 54 3.662 3.662 4.078 -0.416 18299 1060 1 3 . 1 1 54 54 THR C C 54 175.694 175.694 176.498 -0.804 18299 1061 1 3 . 1 1 54 54 THR CA C 54 67.449 67.449 66.607 0.842 18299 1062 1 3 . 1 1 54 54 THR CB C 54 68.226 68.226 68.676 -0.450 18299 1063 1 3 . 1 1 54 54 THR H H 54 7.688 7.688 7.581 0.107 18299 1064 1 3 . 1 1 55 55 LEU N N 55 119.491 119.491 120.731 -1.240 18299 1065 1 3 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.997 -0.195 18299 1066 1 3 . 1 1 55 55 LEU C C 55 179.660 179.660 178.628 1.032 18299 1067 1 3 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.743 0.108 18299 1068 1 3 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.692 1.315 18299 1069 1 3 . 1 1 55 55 LEU H H 55 8.104 8.104 8.287 -0.183 18299 1070 1 3 . 1 1 56 56 LYS N N 56 119.317 119.317 119.087 0.230 18299 1071 1 3 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.136 -0.167 18299 1072 1 3 . 1 1 56 56 LYS C C 56 179.227 179.227 179.301 -0.074 18299 1073 1 3 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.212 1.564 18299 1074 1 3 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.979 0.243 18299 1075 1 3 . 1 1 56 56 LYS H H 56 8.333 8.333 8.398 -0.065 18299 1076 1 3 . 1 1 57 57 LYS N N 57 120.188 120.188 119.927 0.261 18299 1077 1 3 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.067 0.095 18299 1078 1 3 . 1 1 57 57 LYS C C 57 178.128 178.128 178.039 0.089 18299 1079 1 3 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.998 0.084 18299 1080 1 3 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.930 0.522 18299 1081 1 3 . 1 1 57 57 LYS H H 57 7.646 7.646 7.732 -0.086 18299 1082 1 3 . 1 1 58 58 THR N N 58 106.563 106.563 109.808 -3.245 18299 1083 1 3 . 1 1 58 58 THR HA H 58 4.277 4.277 4.344 -0.067 18299 1084 1 3 . 1 1 58 58 THR C C 58 175.933 175.933 175.339 0.594 18299 1085 1 3 . 1 1 58 58 THR CA C 58 63.742 63.742 62.329 1.413 18299 1086 1 3 . 1 1 58 58 THR CB C 58 71.108 71.108 69.453 1.655 18299 1087 1 3 . 1 1 58 58 THR H H 58 7.483 7.483 7.753 -0.270 18299 1088 1 3 . 1 1 59 59 GLY N N 59 108.569 108.569 109.566 -0.997 18299 1089 1 3 . 1 1 59 59 GLY C C 59 173.171 173.171 174.068 -0.897 18299 1090 1 3 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.004 -0.013 18299 1091 1 3 . 1 1 59 59 GLY H H 59 7.774 7.774 8.120 -0.346 18299 1092 1 3 . 1 1 60 60 ALA N N 60 122.420 122.420 123.560 -1.140 18299 1093 1 3 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.427 0.079 18299 1094 1 3 . 1 1 60 60 ALA C C 60 177.155 177.155 177.457 -0.302 18299 1095 1 3 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.717 -0.662 18299 1096 1 3 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.890 0.418 18299 1097 1 3 . 1 1 60 60 ALA H H 60 7.524 7.524 7.400 0.124 18299 1098 1 3 . 1 1 61 61 THR N N 61 117.690 117.690 116.814 0.876 18299 1099 1 3 . 1 1 61 61 THR HA H 61 4.321 4.321 4.126 0.195 18299 1100 1 3 . 1 1 61 61 THR C C 61 174.635 174.635 173.543 1.092 18299 1101 1 3 . 1 1 61 61 THR CA C 61 63.922 63.922 63.991 -0.069 18299 1102 1 3 . 1 1 61 61 THR CB C 61 68.904 68.904 69.217 -0.313 18299 1103 1 3 . 1 1 61 61 THR H H 61 8.491 8.491 8.542 -0.051 18299 1104 1 3 . 1 1 62 62 VAL N N 62 129.030 129.030 124.293 4.737 18299 1105 1 3 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.388 0.926 18299 1106 1 3 . 1 1 62 62 VAL C C 62 174.947 174.947 175.572 -0.625 18299 1107 1 3 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.642 -1.327 18299 1108 1 3 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.082 0.582 18299 1109 1 3 . 1 1 62 62 VAL H H 62 8.709 8.709 8.208 0.501 18299 1110 1 3 . 1 1 63 63 SER N N 63 119.588 119.588 123.230 -3.642 18299 1111 1 3 . 1 1 63 63 SER HA H 63 4.865 4.865 4.670 0.195 18299 1112 1 3 . 1 1 63 63 SER C C 63 173.019 173.019 172.445 0.574 18299 1113 1 3 . 1 1 63 63 SER CA C 63 57.347 57.347 57.064 0.283 18299 1114 1 3 . 1 1 63 63 SER CB C 63 65.605 65.605 64.950 0.655 18299 1115 1 3 . 1 1 63 63 SER H H 63 8.988 8.988 8.242 0.746 18299 1116 1 3 . 1 1 64 64 TYR N N 64 125.400 125.400 125.538 -0.138 18299 1117 1 3 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.297 1.282 18299 1118 1 3 . 1 1 64 64 TYR C C 64 175.523 175.523 174.456 1.067 18299 1119 1 3 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.810 0.644 18299 1120 1 3 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.359 0.663 18299 1121 1 3 . 1 1 64 64 TYR H H 64 9.391 9.391 8.579 0.812 18299 1122 1 3 . 1 1 65 65 LEU N N 65 128.500 128.500 126.574 1.926 18299 1123 1 3 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.262 0.057 18299 1124 1 3 . 1 1 65 65 LEU C C 65 176.473 176.473 177.361 -0.888 18299 1125 1 3 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.749 -1.072 18299 1126 1 3 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.139 -0.081 18299 1127 1 3 . 1 1 65 65 LEU H H 65 8.304 8.304 8.534 -0.230 18299 1128 1 3 . 1 1 66 66 GLY N N 66 105.737 105.737 104.972 0.765 18299 1129 1 3 . 1 1 66 66 GLY C C 66 171.330 171.330 171.442 -0.112 18299 1130 1 3 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.709 0.327 18299 1131 1 3 . 1 1 66 66 GLY H H 66 5.977 5.977 7.715 -1.738 18299 1132 1 3 . 1 1 67 67 LEU N N 67 120.133 120.133 120.263 -0.130 18299 1133 1 3 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.676 0.106 18299 1134 1 3 . 1 1 67 67 LEU C C 67 177.339 177.339 175.750 1.589 18299 1135 1 3 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.877 0.499 18299 1136 1 3 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.942 -1.061 18299 1137 1 3 . 1 1 67 67 LEU H H 67 7.947 7.947 8.338 -0.391 18299 1138 1 4 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.629 -0.376 18299 1139 1 4 . 1 1 2 2 PRO C C 2 174.299 174.299 175.351 -1.052 18299 1140 1 4 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.630 0.705 18299 1141 1 4 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.619 0.014 18299 1142 1 4 . 1 1 3 3 LYS N N 3 121.020 121.020 120.413 0.607 18299 1143 1 4 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.081 0.853 18299 1144 1 4 . 1 1 3 3 LYS C C 3 175.055 175.055 175.567 -0.512 18299 1145 1 4 . 1 1 3 3 LYS CA C 3 54.894 54.894 56.024 -1.130 18299 1146 1 4 . 1 1 3 3 LYS CB C 3 34.382 34.382 33.695 0.687 18299 1147 1 4 . 1 1 3 3 LYS H H 3 8.038 8.038 8.298 -0.260 18299 1148 1 4 . 1 1 4 4 HIS N N 4 122.815 122.815 122.170 0.645 18299 1149 1 4 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.211 -0.252 18299 1150 1 4 . 1 1 4 4 HIS C C 4 174.771 174.771 174.681 0.090 18299 1151 1 4 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.175 1.867 18299 1152 1 4 . 1 1 4 4 HIS CB C 4 35.244 35.244 31.982 3.263 18299 1153 1 4 . 1 1 4 4 HIS H H 4 8.908 8.908 8.461 0.447 18299 1154 1 4 . 1 1 5 5 GLU N N 5 122.404 122.404 122.390 0.014 18299 1155 1 4 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.778 0.515 18299 1156 1 4 . 1 1 5 5 GLU C C 5 174.389 174.389 174.856 -0.467 18299 1157 1 4 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.699 0.149 18299 1158 1 4 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.257 0.485 18299 1159 1 4 . 1 1 5 5 GLU H H 5 8.951 8.951 8.458 0.493 18299 1160 1 4 . 1 1 6 6 PHE N N 6 119.234 119.234 124.515 -5.281 18299 1161 1 4 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.202 -0.017 18299 1162 1 4 . 1 1 6 6 PHE C C 6 175.130 175.130 174.105 1.025 18299 1163 1 4 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.970 -0.224 18299 1164 1 4 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.066 -1.384 18299 1165 1 4 . 1 1 6 6 PHE H H 6 9.075 9.075 8.276 0.799 18299 1166 1 4 . 1 1 7 7 SER N N 7 118.028 118.028 119.625 -1.597 18299 1167 1 4 . 1 1 7 7 SER HA H 7 5.322 5.322 4.800 0.522 18299 1168 1 4 . 1 1 7 7 SER C C 7 174.651 174.651 172.876 1.775 18299 1169 1 4 . 1 1 7 7 SER CA C 7 56.636 56.636 57.837 -1.201 18299 1170 1 4 . 1 1 7 7 SER CB C 7 63.983 63.983 63.954 0.029 18299 1171 1 4 . 1 1 7 7 SER H H 7 9.346 9.346 9.174 0.172 18299 1172 1 4 . 1 1 8 8 VAL N N 8 125.476 125.476 125.439 0.037 18299 1173 1 4 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.683 -0.000 18299 1174 1 4 . 1 1 8 8 VAL C C 8 174.360 174.360 174.390 -0.030 18299 1175 1 4 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.981 1.039 18299 1176 1 4 . 1 1 8 8 VAL CB C 8 35.221 35.221 34.696 0.525 18299 1177 1 4 . 1 1 8 8 VAL H H 8 8.129 8.129 8.568 -0.439 18299 1178 1 4 . 1 1 9 9 ASP N N 9 124.989 124.989 129.854 -4.865 18299 1179 1 4 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.692 0.004 18299 1180 1 4 . 1 1 9 9 ASP C C 9 175.278 175.278 175.621 -0.343 18299 1181 1 4 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.217 -0.206 18299 1182 1 4 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.676 -1.155 18299 1183 1 4 . 1 1 9 9 ASP H H 9 8.285 8.285 8.264 0.021 18299 1184 1 4 . 1 1 10 10 MET N N 10 125.927 125.927 124.744 1.183 18299 1185 1 4 . 1 1 10 10 MET HA H 10 4.712 4.712 4.449 0.263 18299 1186 1 4 . 1 1 10 10 MET C C 10 175.748 175.748 176.047 -0.299 18299 1187 1 4 . 1 1 10 10 MET CA C 10 54.825 54.825 56.035 -1.210 18299 1188 1 4 . 1 1 10 10 MET CB C 10 34.030 34.030 31.787 2.243 18299 1189 1 4 . 1 1 10 10 MET H H 10 8.096 8.096 8.465 -0.369 18299 1190 1 4 . 1 1 11 11 THR N N 11 116.339 116.339 116.830 -0.491 18299 1191 1 4 . 1 1 11 11 THR HA H 11 4.326 4.326 4.506 -0.180 18299 1192 1 4 . 1 1 11 11 THR C C 11 174.832 174.832 175.390 -0.558 18299 1193 1 4 . 1 1 11 11 THR CA C 11 63.908 63.908 62.635 1.273 18299 1194 1 4 . 1 1 11 11 THR CB C 11 69.529 69.529 69.544 -0.016 18299 1195 1 4 . 1 1 11 11 THR H H 11 8.886 8.886 8.583 0.303 18299 1196 1 4 . 1 1 12 12 CYS N N 12 117.534 117.534 121.502 -3.968 18299 1197 1 4 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.747 0.048 18299 1198 1 4 . 1 1 12 12 CYS C C 12 174.892 174.892 176.845 -1.953 18299 1199 1 4 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.627 -1.012 18299 1200 1 4 . 1 1 12 12 CYS CB C 12 29.481 29.481 28.137 1.344 18299 1201 1 4 . 1 1 12 12 CYS H H 12 8.183 8.183 8.126 0.057 18299 1202 1 4 . 1 1 13 13 GLY N N 13 110.516 110.516 111.190 -0.674 18299 1203 1 4 . 1 1 13 13 GLY C C 13 175.328 175.328 176.334 -1.006 18299 1204 1 4 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.739 -1.158 18299 1205 1 4 . 1 1 13 13 GLY H H 13 8.737 8.737 8.360 0.377 18299 1206 1 4 . 1 1 14 14 GLY N N 14 110.521 110.521 108.340 2.181 18299 1207 1 4 . 1 1 14 14 GLY C C 14 175.741 175.741 175.803 -0.062 18299 1208 1 4 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.907 -0.901 18299 1209 1 4 . 1 1 14 14 GLY H H 14 8.677 8.677 8.316 0.361 18299 1210 1 4 . 1 1 15 15 CYS N N 15 121.304 121.304 120.525 0.779 18299 1211 1 4 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.495 -0.132 18299 1212 1 4 . 1 1 15 15 CYS C C 15 176.557 176.557 176.607 -0.050 18299 1213 1 4 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.297 1.059 18299 1214 1 4 . 1 1 15 15 CYS CB C 15 28.522 28.522 26.856 1.666 18299 1215 1 4 . 1 1 15 15 CYS H H 15 7.853 7.853 8.391 -0.538 18299 1216 1 4 . 1 1 16 16 ALA N N 16 121.907 121.907 122.584 -0.677 18299 1217 1 4 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.126 -0.104 18299 1218 1 4 . 1 1 16 16 ALA C C 16 180.089 180.089 179.285 0.804 18299 1219 1 4 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.138 0.656 18299 1220 1 4 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.139 0.143 18299 1221 1 4 . 1 1 16 16 ALA H H 16 8.196 8.196 8.660 -0.464 18299 1222 1 4 . 1 1 17 17 GLU N N 17 118.976 118.976 119.076 -0.100 18299 1223 1 4 . 1 1 17 17 GLU HA H 17 4.065 4.065 3.979 0.086 18299 1224 1 4 . 1 1 17 17 GLU C C 17 178.541 178.541 178.258 0.283 18299 1225 1 4 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.284 0.396 18299 1226 1 4 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.480 -0.299 18299 1227 1 4 . 1 1 17 17 GLU H H 17 8.518 8.518 7.814 0.704 18299 1228 1 4 . 1 1 18 18 ALA N N 18 122.909 122.909 122.103 0.806 18299 1229 1 4 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.148 -0.059 18299 1230 1 4 . 1 1 18 18 ALA C C 18 179.665 179.665 179.947 -0.282 18299 1231 1 4 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.786 0.298 18299 1232 1 4 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.403 -0.258 18299 1233 1 4 . 1 1 18 18 ALA H H 18 7.863 7.863 7.344 0.519 18299 1234 1 4 . 1 1 19 19 VAL N N 19 118.050 118.050 118.762 -0.712 18299 1235 1 4 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.685 -0.388 18299 1236 1 4 . 1 1 19 19 VAL C C 19 176.602 176.602 178.497 -1.895 18299 1237 1 4 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.018 0.283 18299 1238 1 4 . 1 1 19 19 VAL CB C 19 31.471 31.471 30.919 0.552 18299 1239 1 4 . 1 1 19 19 VAL H H 19 7.989 7.989 8.418 -0.429 18299 1240 1 4 . 1 1 20 20 SER N N 20 113.425 113.425 114.573 -1.148 18299 1241 1 4 . 1 1 20 20 SER HA H 20 4.086 4.086 4.056 0.030 18299 1242 1 4 . 1 1 20 20 SER C C 20 175.600 175.600 176.676 -1.076 18299 1243 1 4 . 1 1 20 20 SER CA C 20 62.064 62.064 61.684 0.380 18299 1244 1 4 . 1 1 20 20 SER CB C 20 62.443 62.443 62.750 -0.307 18299 1245 1 4 . 1 1 20 20 SER H H 20 7.808 7.808 7.880 -0.072 18299 1246 1 4 . 1 1 21 21 ARG N N 21 119.858 119.858 121.106 -1.248 18299 1247 1 4 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.918 0.086 18299 1248 1 4 . 1 1 21 21 ARG C C 21 180.231 180.231 178.423 1.808 18299 1249 1 4 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.018 1.052 18299 1250 1 4 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.850 0.626 18299 1251 1 4 . 1 1 21 21 ARG H H 21 8.086 8.086 7.476 0.610 18299 1252 1 4 . 1 1 22 22 VAL N N 22 112.224 112.224 119.372 -7.148 18299 1253 1 4 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.788 0.234 18299 1254 1 4 . 1 1 22 22 VAL C C 22 179.211 179.211 177.361 1.850 18299 1255 1 4 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.192 -0.246 18299 1256 1 4 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.645 -0.982 18299 1257 1 4 . 1 1 22 22 VAL H H 22 7.943 7.943 7.657 0.286 18299 1258 1 4 . 1 1 23 23 LEU N N 23 122.146 122.146 121.612 0.534 18299 1259 1 4 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.987 -0.001 18299 1260 1 4 . 1 1 23 23 LEU C C 23 178.347 178.347 177.475 0.872 18299 1261 1 4 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.597 -0.348 18299 1262 1 4 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.583 -0.733 18299 1263 1 4 . 1 1 23 23 LEU H H 23 7.692 7.692 7.985 -0.293 18299 1264 1 4 . 1 1 24 24 ASN N N 24 118.578 118.578 116.849 1.729 18299 1265 1 4 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.284 0.245 18299 1266 1 4 . 1 1 24 24 ASN C C 24 178.060 178.060 176.947 1.113 18299 1267 1 4 . 1 1 24 24 ASN CA C 24 55.606 55.606 55.828 -0.222 18299 1268 1 4 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.244 -1.052 18299 1269 1 4 . 1 1 24 24 ASN H H 24 8.683 8.683 8.011 0.672 18299 1270 1 4 . 1 1 25 25 LYS N N 25 118.395 118.395 119.199 -0.804 18299 1271 1 4 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.055 0.009 18299 1272 1 4 . 1 1 25 25 LYS C C 25 177.770 177.770 178.062 -0.292 18299 1273 1 4 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.374 -0.129 18299 1274 1 4 . 1 1 25 25 LYS CB C 25 32.186 32.186 31.998 0.188 18299 1275 1 4 . 1 1 25 25 LYS H H 25 7.469 7.469 7.630 -0.161 18299 1276 1 4 . 1 1 26 26 LEU N N 26 121.105 121.105 118.248 2.857 18299 1277 1 4 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.313 -0.222 18299 1278 1 4 . 1 1 26 26 LEU C C 26 178.609 178.609 178.016 0.593 18299 1279 1 4 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.309 1.433 18299 1280 1 4 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.013 0.178 18299 1281 1 4 . 1 1 26 26 LEU H H 26 7.209 7.209 7.807 -0.598 18299 1282 1 4 . 1 1 27 27 GLY N N 27 104.036 104.036 102.999 1.037 18299 1283 1 4 . 1 1 27 27 GLY C C 27 173.508 173.508 174.993 -1.485 18299 1284 1 4 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.232 -0.999 18299 1285 1 4 . 1 1 27 27 GLY H H 27 7.691 7.691 8.414 -0.723 18299 1286 1 4 . 1 1 28 28 GLY N N 28 106.538 106.538 108.590 -2.052 18299 1287 1 4 . 1 1 28 28 GLY C C 28 175.737 175.737 174.201 1.536 18299 1288 1 4 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.189 1.429 18299 1289 1 4 . 1 1 28 28 GLY H H 28 8.603 8.603 7.857 0.746 18299 1290 1 4 . 1 1 29 29 VAL N N 29 112.116 112.116 116.464 -4.348 18299 1291 1 4 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.466 0.483 18299 1292 1 4 . 1 1 29 29 VAL C C 29 174.487 174.487 175.746 -1.259 18299 1293 1 4 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.139 0.599 18299 1294 1 4 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.951 2.563 18299 1295 1 4 . 1 1 29 29 VAL H H 29 7.974 7.974 7.429 0.545 18299 1296 1 4 . 1 1 30 30 LYS N N 30 124.568 124.568 121.357 3.211 18299 1297 1 4 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.153 0.495 18299 1298 1 4 . 1 1 30 30 LYS C C 30 174.964 174.964 175.359 -0.395 18299 1299 1 4 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.614 -1.611 18299 1300 1 4 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.071 1.568 18299 1301 1 4 . 1 1 30 30 LYS H H 30 8.370 8.370 8.604 -0.234 18299 1302 1 4 . 1 1 31 31 TYR N N 31 121.504 121.504 118.760 2.744 18299 1303 1 4 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.161 0.823 18299 1304 1 4 . 1 1 31 31 TYR C C 31 172.758 172.758 173.816 -1.058 18299 1305 1 4 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.727 -0.603 18299 1306 1 4 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.711 1.071 18299 1307 1 4 . 1 1 31 31 TYR H H 31 8.531 8.531 7.954 0.577 18299 1308 1 4 . 1 1 32 32 ASP N N 32 119.262 119.262 122.589 -3.327 18299 1309 1 4 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.876 0.116 18299 1310 1 4 . 1 1 32 32 ASP C C 32 174.839 174.839 173.823 1.016 18299 1311 1 4 . 1 1 32 32 ASP CA C 32 53.283 53.283 54.313 -1.030 18299 1312 1 4 . 1 1 32 32 ASP CB C 32 44.851 44.851 43.724 1.127 18299 1313 1 4 . 1 1 32 32 ASP H H 32 8.750 8.750 8.738 0.012 18299 1314 1 4 . 1 1 33 33 ILE N N 33 124.951 124.951 120.159 4.792 18299 1315 1 4 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.729 -0.370 18299 1316 1 4 . 1 1 33 33 ILE C C 33 173.855 173.855 174.202 -0.347 18299 1317 1 4 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.557 2.375 18299 1318 1 4 . 1 1 33 33 ILE CB C 33 39.634 39.634 40.213 -0.579 18299 1319 1 4 . 1 1 33 33 ILE H H 33 9.001 9.001 8.425 0.576 18299 1320 1 4 . 1 1 34 34 ASP N N 34 130.202 130.202 128.098 2.104 18299 1321 1 4 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.078 -0.103 18299 1322 1 4 . 1 1 34 34 ASP C C 34 175.761 175.761 175.884 -0.123 18299 1323 1 4 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.270 -1.462 18299 1324 1 4 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.508 -0.267 18299 1325 1 4 . 1 1 34 34 ASP H H 34 9.033 9.033 8.857 0.176 18299 1326 1 4 . 1 1 35 35 LEU N N 35 123.830 123.830 126.202 -2.372 18299 1327 1 4 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.335 -0.025 18299 1328 1 4 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.456 0.406 18299 1329 1 4 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.748 -1.396 18299 1330 1 4 . 1 1 35 35 LEU H H 35 8.888 8.888 8.726 0.162 18299 1331 1 4 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.280 0.016 18299 1332 1 4 . 1 1 36 36 PRO C C 36 177.959 177.959 177.199 0.760 18299 1333 1 4 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.335 1.051 18299 1334 1 4 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.269 0.224 18299 1335 1 4 . 1 1 37 37 ASN N N 37 110.308 110.308 112.633 -2.325 18299 1336 1 4 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.764 0.135 18299 1337 1 4 . 1 1 37 37 ASN C C 37 172.880 172.880 174.214 -1.334 18299 1338 1 4 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.487 0.121 18299 1339 1 4 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.520 -0.975 18299 1340 1 4 . 1 1 37 37 ASN H H 37 7.255 7.255 7.525 -0.270 18299 1341 1 4 . 1 1 38 38 LYS N N 38 119.648 119.648 118.171 1.477 18299 1342 1 4 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.964 -0.132 18299 1343 1 4 . 1 1 38 38 LYS C C 38 175.375 175.375 175.372 0.003 18299 1344 1 4 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.442 0.786 18299 1345 1 4 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.672 -0.220 18299 1346 1 4 . 1 1 38 38 LYS H H 38 8.328 8.328 7.801 0.527 18299 1347 1 4 . 1 1 39 39 LYS N N 39 116.950 116.950 116.315 0.635 18299 1348 1 4 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.669 0.985 18299 1349 1 4 . 1 1 39 39 LYS C C 39 174.797 174.797 174.211 0.586 18299 1350 1 4 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.802 0.102 18299 1351 1 4 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.218 0.401 18299 1352 1 4 . 1 1 39 39 LYS H H 39 8.203 8.203 7.655 0.548 18299 1353 1 4 . 1 1 40 40 VAL N N 40 121.279 121.279 120.433 0.846 18299 1354 1 4 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.722 0.252 18299 1355 1 4 . 1 1 40 40 VAL C C 40 173.992 173.992 174.189 -0.197 18299 1356 1 4 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.283 -0.592 18299 1357 1 4 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.955 0.862 18299 1358 1 4 . 1 1 40 40 VAL H H 40 9.115 9.115 8.145 0.970 18299 1359 1 4 . 1 1 41 41 CYS N N 41 126.779 126.779 127.681 -0.902 18299 1360 1 4 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.959 0.676 18299 1361 1 4 . 1 1 41 41 CYS C C 41 174.839 174.839 173.091 1.748 18299 1362 1 4 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.190 -0.219 18299 1363 1 4 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.314 0.825 18299 1364 1 4 . 1 1 41 41 CYS H H 41 8.767 8.767 8.581 0.186 18299 1365 1 4 . 1 1 42 42 ILE N N 42 125.941 125.941 129.121 -3.180 18299 1366 1 4 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.756 0.223 18299 1367 1 4 . 1 1 42 42 ILE C C 42 174.113 174.113 173.239 0.874 18299 1368 1 4 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.574 1.655 18299 1369 1 4 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.872 0.567 18299 1370 1 4 . 1 1 42 42 ILE H H 42 9.697 9.697 8.387 1.310 18299 1371 1 4 . 1 1 43 43 GLU N N 43 130.488 130.488 130.090 0.398 18299 1372 1 4 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.539 0.917 18299 1373 1 4 . 1 1 43 43 GLU C C 43 176.185 176.185 174.492 1.693 18299 1374 1 4 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.250 -0.365 18299 1375 1 4 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.722 0.304 18299 1376 1 4 . 1 1 43 43 GLU H H 43 9.510 9.510 8.619 0.891 18299 1377 1 4 . 1 1 44 44 SER N N 44 119.391 119.391 121.028 -1.637 18299 1378 1 4 . 1 1 44 44 SER HA H 44 4.868 4.868 4.818 0.050 18299 1379 1 4 . 1 1 44 44 SER C C 44 173.026 173.026 174.308 -1.282 18299 1380 1 4 . 1 1 44 44 SER CA C 44 59.104 59.104 57.099 2.005 18299 1381 1 4 . 1 1 44 44 SER CB C 44 66.159 66.159 66.729 -0.570 18299 1382 1 4 . 1 1 44 44 SER H H 44 8.681 8.681 8.029 0.652 18299 1383 1 4 . 1 1 45 45 GLU N N 45 121.420 121.420 121.148 0.272 18299 1384 1 4 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.197 0.357 18299 1385 1 4 . 1 1 45 45 GLU C C 45 177.473 177.473 176.764 0.709 18299 1386 1 4 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.488 -2.281 18299 1387 1 4 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.685 0.166 18299 1388 1 4 . 1 1 45 45 GLU H H 45 9.026 9.026 8.830 0.196 18299 1389 1 4 . 1 1 46 46 HIS N N 46 119.653 119.653 118.526 1.127 18299 1390 1 4 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.545 0.098 18299 1391 1 4 . 1 1 46 46 HIS C C 46 175.514 175.514 175.157 0.357 18299 1392 1 4 . 1 1 46 46 HIS CA C 46 56.915 56.915 57.470 -0.555 18299 1393 1 4 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.331 1.394 18299 1394 1 4 . 1 1 46 46 HIS H H 46 8.423 8.423 7.884 0.539 18299 1395 1 4 . 1 1 47 47 SER N N 47 116.562 116.562 113.592 2.970 18299 1396 1 4 . 1 1 47 47 SER HA H 47 4.349 4.349 3.577 0.772 18299 1397 1 4 . 1 1 47 47 SER C C 47 174.638 174.638 173.572 1.066 18299 1398 1 4 . 1 1 47 47 SER CA C 47 57.438 57.438 57.780 -0.342 18299 1399 1 4 . 1 1 47 47 SER CB C 47 65.022 65.022 62.085 2.937 18299 1400 1 4 . 1 1 47 47 SER H H 47 9.093 9.093 8.527 0.566 18299 1401 1 4 . 1 1 48 48 MET N N 48 121.402 121.402 121.390 0.012 18299 1402 1 4 . 1 1 48 48 MET HA H 48 3.412 3.412 3.975 -0.563 18299 1403 1 4 . 1 1 48 48 MET C C 48 177.797 177.797 174.313 3.484 18299 1404 1 4 . 1 1 48 48 MET CA C 48 60.298 60.298 57.353 2.945 18299 1405 1 4 . 1 1 48 48 MET CB C 48 30.776 30.776 31.377 -0.601 18299 1406 1 4 . 1 1 48 48 MET H H 48 8.920 8.920 8.466 0.454 18299 1407 1 4 . 1 1 49 49 ASP N N 49 116.251 116.251 117.685 -1.434 18299 1408 1 4 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.512 -0.310 18299 1409 1 4 . 1 1 49 49 ASP C C 49 179.291 179.291 177.076 2.215 18299 1410 1 4 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.227 2.328 18299 1411 1 4 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.870 -0.018 18299 1412 1 4 . 1 1 49 49 ASP H H 49 8.345 8.345 8.158 0.187 18299 1413 1 4 . 1 1 50 50 THR N N 50 120.023 120.023 116.483 3.540 18299 1414 1 4 . 1 1 50 50 THR HA H 50 4.305 4.305 4.135 0.170 18299 1415 1 4 . 1 1 50 50 THR C C 50 177.416 177.416 176.022 1.394 18299 1416 1 4 . 1 1 50 50 THR CA C 50 66.392 66.392 65.655 0.737 18299 1417 1 4 . 1 1 50 50 THR CB C 50 68.452 68.452 68.518 -0.066 18299 1418 1 4 . 1 1 50 50 THR H H 50 8.019 8.019 8.204 -0.185 18299 1419 1 4 . 1 1 51 51 LEU N N 51 124.562 124.562 119.867 4.695 18299 1420 1 4 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.064 -0.556 18299 1421 1 4 . 1 1 51 51 LEU C C 51 177.386 177.386 178.438 -1.052 18299 1422 1 4 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.155 0.308 18299 1423 1 4 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.615 2.753 18299 1424 1 4 . 1 1 51 51 LEU H H 51 8.043 8.043 7.736 0.307 18299 1425 1 4 . 1 1 52 52 LEU N N 52 120.718 120.718 117.166 3.552 18299 1426 1 4 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.898 -0.352 18299 1427 1 4 . 1 1 52 52 LEU C C 52 178.065 178.065 178.785 -0.720 18299 1428 1 4 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.503 0.968 18299 1429 1 4 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.324 2.377 18299 1430 1 4 . 1 1 52 52 LEU H H 52 8.993 8.993 7.694 1.299 18299 1431 1 4 . 1 1 53 53 ALA N N 53 118.641 118.641 121.739 -3.098 18299 1432 1 4 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.906 0.007 18299 1433 1 4 . 1 1 53 53 ALA C C 53 180.677 180.677 179.713 0.964 18299 1434 1 4 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.037 -0.002 18299 1435 1 4 . 1 1 53 53 ALA CB C 53 18.169 18.169 17.907 0.262 18299 1436 1 4 . 1 1 53 53 ALA H H 53 7.859 7.859 7.756 0.103 18299 1437 1 4 . 1 1 54 54 THR N N 54 114.407 114.407 115.586 -1.179 18299 1438 1 4 . 1 1 54 54 THR HA H 54 3.662 3.662 4.051 -0.389 18299 1439 1 4 . 1 1 54 54 THR C C 54 175.694 175.694 176.579 -0.885 18299 1440 1 4 . 1 1 54 54 THR CA C 54 67.449 67.449 66.322 1.127 18299 1441 1 4 . 1 1 54 54 THR CB C 54 68.226 68.226 68.586 -0.360 18299 1442 1 4 . 1 1 54 54 THR H H 54 7.688 7.688 7.400 0.288 18299 1443 1 4 . 1 1 55 55 LEU N N 55 119.491 119.491 121.563 -2.072 18299 1444 1 4 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.897 -0.095 18299 1445 1 4 . 1 1 55 55 LEU C C 55 179.660 179.660 179.079 0.581 18299 1446 1 4 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.895 -0.043 18299 1447 1 4 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.665 1.342 18299 1448 1 4 . 1 1 55 55 LEU H H 55 8.104 8.104 8.701 -0.597 18299 1449 1 4 . 1 1 56 56 LYS N N 56 119.317 119.317 118.904 0.413 18299 1450 1 4 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.044 -0.075 18299 1451 1 4 . 1 1 56 56 LYS C C 56 179.227 179.227 179.528 -0.301 18299 1452 1 4 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.380 1.396 18299 1453 1 4 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.976 0.246 18299 1454 1 4 . 1 1 56 56 LYS H H 56 8.333 8.333 8.534 -0.201 18299 1455 1 4 . 1 1 57 57 LYS N N 57 120.188 120.188 119.591 0.597 18299 1456 1 4 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.039 0.123 18299 1457 1 4 . 1 1 57 57 LYS C C 57 178.128 178.128 178.138 -0.010 18299 1458 1 4 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.961 0.122 18299 1459 1 4 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.034 0.418 18299 1460 1 4 . 1 1 57 57 LYS H H 57 7.646 7.646 7.597 0.049 18299 1461 1 4 . 1 1 58 58 THR N N 58 106.563 106.563 108.490 -1.927 18299 1462 1 4 . 1 1 58 58 THR HA H 58 4.277 4.277 4.364 -0.087 18299 1463 1 4 . 1 1 58 58 THR C C 58 175.933 175.933 174.787 1.146 18299 1464 1 4 . 1 1 58 58 THR CA C 58 63.742 63.742 62.639 1.103 18299 1465 1 4 . 1 1 58 58 THR CB C 58 71.108 71.108 69.742 1.366 18299 1466 1 4 . 1 1 58 58 THR H H 58 7.483 7.483 7.732 -0.249 18299 1467 1 4 . 1 1 59 59 GLY N N 59 108.569 108.569 109.460 -0.891 18299 1468 1 4 . 1 1 59 59 GLY C C 59 173.171 173.171 174.047 -0.876 18299 1469 1 4 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.924 0.067 18299 1470 1 4 . 1 1 59 59 GLY H H 59 7.774 7.774 7.950 -0.176 18299 1471 1 4 . 1 1 60 60 ALA N N 60 122.420 122.420 123.172 -0.752 18299 1472 1 4 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.456 0.050 18299 1473 1 4 . 1 1 60 60 ALA C C 60 177.155 177.155 177.176 -0.021 18299 1474 1 4 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.674 -0.619 18299 1475 1 4 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.965 0.343 18299 1476 1 4 . 1 1 60 60 ALA H H 60 7.524 7.524 7.309 0.215 18299 1477 1 4 . 1 1 61 61 THR N N 61 117.690 117.690 115.817 1.873 18299 1478 1 4 . 1 1 61 61 THR HA H 61 4.321 4.321 4.235 0.086 18299 1479 1 4 . 1 1 61 61 THR C C 61 174.635 174.635 173.667 0.968 18299 1480 1 4 . 1 1 61 61 THR CA C 61 63.922 63.922 62.243 1.679 18299 1481 1 4 . 1 1 61 61 THR CB C 61 68.904 68.904 69.556 -0.652 18299 1482 1 4 . 1 1 61 61 THR H H 61 8.491 8.491 8.302 0.189 18299 1483 1 4 . 1 1 62 62 VAL N N 62 129.030 129.030 126.755 2.275 18299 1484 1 4 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.618 0.696 18299 1485 1 4 . 1 1 62 62 VAL C C 62 174.947 174.947 175.453 -0.506 18299 1486 1 4 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.384 -1.069 18299 1487 1 4 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.019 0.645 18299 1488 1 4 . 1 1 62 62 VAL H H 62 8.709 8.709 8.377 0.332 18299 1489 1 4 . 1 1 63 63 SER N N 63 119.588 119.588 122.440 -2.852 18299 1490 1 4 . 1 1 63 63 SER HA H 63 4.865 4.865 4.987 -0.122 18299 1491 1 4 . 1 1 63 63 SER C C 63 173.019 173.019 172.513 0.506 18299 1492 1 4 . 1 1 63 63 SER CA C 63 57.347 57.347 57.162 0.185 18299 1493 1 4 . 1 1 63 63 SER CB C 63 65.605 65.605 65.953 -0.347 18299 1494 1 4 . 1 1 63 63 SER H H 63 8.988 8.988 8.501 0.487 18299 1495 1 4 . 1 1 64 64 TYR N N 64 125.400 125.400 124.800 0.600 18299 1496 1 4 . 1 1 64 64 TYR HA H 64 4.579 4.579 2.688 1.891 18299 1497 1 4 . 1 1 64 64 TYR C C 64 175.523 175.523 174.134 1.389 18299 1498 1 4 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.186 1.268 18299 1499 1 4 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.123 0.899 18299 1500 1 4 . 1 1 64 64 TYR H H 64 9.391 9.391 8.819 0.572 18299 1501 1 4 . 1 1 65 65 LEU N N 65 128.500 128.500 125.109 3.391 18299 1502 1 4 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.317 0.002 18299 1503 1 4 . 1 1 65 65 LEU C C 65 176.473 176.473 177.235 -0.762 18299 1504 1 4 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.200 -0.523 18299 1505 1 4 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.713 -0.655 18299 1506 1 4 . 1 1 65 65 LEU H H 65 8.304 8.304 8.259 0.045 18299 1507 1 4 . 1 1 66 66 GLY N N 66 105.737 105.737 105.204 0.533 18299 1508 1 4 . 1 1 66 66 GLY C C 66 171.330 171.330 171.677 -0.347 18299 1509 1 4 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.984 0.052 18299 1510 1 4 . 1 1 66 66 GLY H H 66 5.977 5.977 7.354 -1.377 18299 1511 1 4 . 1 1 67 67 LEU N N 67 120.133 120.133 119.646 0.487 18299 1512 1 4 . 1 1 67 67 LEU HA H 67 4.782 4.782 5.151 -0.369 18299 1513 1 4 . 1 1 67 67 LEU C C 67 177.339 177.339 177.269 0.070 18299 1514 1 4 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.462 0.914 18299 1515 1 4 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.311 -0.430 18299 1516 1 4 . 1 1 67 67 LEU H H 67 7.947 7.947 8.463 -0.516 18299 1517 1 5 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.601 -0.348 18299 1518 1 5 . 1 1 2 2 PRO C C 2 174.299 174.299 176.012 -1.713 18299 1519 1 5 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.533 0.802 18299 1520 1 5 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.359 0.274 18299 1521 1 5 . 1 1 3 3 LYS N N 3 121.020 121.020 120.644 0.376 18299 1522 1 5 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.594 0.340 18299 1523 1 5 . 1 1 3 3 LYS C C 3 175.055 175.055 175.399 -0.344 18299 1524 1 5 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.422 -0.528 18299 1525 1 5 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.223 0.159 18299 1526 1 5 . 1 1 3 3 LYS H H 3 8.038 8.038 8.601 -0.563 18299 1527 1 5 . 1 1 4 4 HIS N N 4 122.815 122.815 122.110 0.705 18299 1528 1 5 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.953 0.006 18299 1529 1 5 . 1 1 4 4 HIS C C 4 174.771 174.771 173.916 0.855 18299 1530 1 5 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.124 0.918 18299 1531 1 5 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.913 2.332 18299 1532 1 5 . 1 1 4 4 HIS H H 4 8.908 8.908 8.437 0.471 18299 1533 1 5 . 1 1 5 5 GLU N N 5 122.404 122.404 126.671 -4.267 18299 1534 1 5 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.531 0.762 18299 1535 1 5 . 1 1 5 5 GLU C C 5 174.389 174.389 174.653 -0.264 18299 1536 1 5 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.743 0.105 18299 1537 1 5 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.451 1.291 18299 1538 1 5 . 1 1 5 5 GLU H H 5 8.951 8.951 7.968 0.983 18299 1539 1 5 . 1 1 6 6 PHE N N 6 119.234 119.234 125.293 -6.059 18299 1540 1 5 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.228 -0.043 18299 1541 1 5 . 1 1 6 6 PHE C C 6 175.130 175.130 173.838 1.292 18299 1542 1 5 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.891 -0.145 18299 1543 1 5 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.169 -1.487 18299 1544 1 5 . 1 1 6 6 PHE H H 6 9.075 9.075 8.293 0.782 18299 1545 1 5 . 1 1 7 7 SER N N 7 118.028 118.028 119.894 -1.866 18299 1546 1 5 . 1 1 7 7 SER HA H 7 5.322 5.322 4.919 0.403 18299 1547 1 5 . 1 1 7 7 SER C C 7 174.651 174.651 172.431 2.220 18299 1548 1 5 . 1 1 7 7 SER CA C 7 56.636 56.636 57.656 -1.020 18299 1549 1 5 . 1 1 7 7 SER CB C 7 63.983 63.983 64.806 -0.823 18299 1550 1 5 . 1 1 7 7 SER H H 7 9.346 9.346 9.214 0.132 18299 1551 1 5 . 1 1 8 8 VAL N N 8 125.476 125.476 125.217 0.259 18299 1552 1 5 . 1 1 8 8 VAL HA H 8 4.683 4.683 5.007 -0.324 18299 1553 1 5 . 1 1 8 8 VAL C C 8 174.360 174.360 174.006 0.354 18299 1554 1 5 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.060 0.960 18299 1555 1 5 . 1 1 8 8 VAL CB C 8 35.221 35.221 34.508 0.713 18299 1556 1 5 . 1 1 8 8 VAL H H 8 8.129 8.129 8.612 -0.483 18299 1557 1 5 . 1 1 9 9 ASP N N 9 124.989 124.989 130.120 -5.131 18299 1558 1 5 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.686 0.010 18299 1559 1 5 . 1 1 9 9 ASP C C 9 175.278 175.278 175.830 -0.552 18299 1560 1 5 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.522 -0.511 18299 1561 1 5 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.908 -1.387 18299 1562 1 5 . 1 1 9 9 ASP H H 9 8.285 8.285 8.113 0.172 18299 1563 1 5 . 1 1 10 10 MET N N 10 125.927 125.927 123.930 1.997 18299 1564 1 5 . 1 1 10 10 MET HA H 10 4.712 4.712 4.383 0.329 18299 1565 1 5 . 1 1 10 10 MET C C 10 175.748 175.748 176.220 -0.472 18299 1566 1 5 . 1 1 10 10 MET CA C 10 54.825 54.825 56.691 -1.867 18299 1567 1 5 . 1 1 10 10 MET CB C 10 34.030 34.030 32.930 1.100 18299 1568 1 5 . 1 1 10 10 MET H H 10 8.096 8.096 8.660 -0.564 18299 1569 1 5 . 1 1 11 11 THR N N 11 116.339 116.339 120.091 -3.752 18299 1570 1 5 . 1 1 11 11 THR HA H 11 4.326 4.326 4.474 -0.148 18299 1571 1 5 . 1 1 11 11 THR C C 11 174.832 174.832 175.206 -0.374 18299 1572 1 5 . 1 1 11 11 THR CA C 11 63.908 63.908 63.994 -0.086 18299 1573 1 5 . 1 1 11 11 THR CB C 11 69.529 69.529 69.458 0.071 18299 1574 1 5 . 1 1 11 11 THR H H 11 8.886 8.886 8.777 0.109 18299 1575 1 5 . 1 1 12 12 CYS N N 12 117.534 117.534 121.168 -3.634 18299 1576 1 5 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.758 0.037 18299 1577 1 5 . 1 1 12 12 CYS C C 12 174.892 174.892 176.339 -1.447 18299 1578 1 5 . 1 1 12 12 CYS CA C 12 57.615 57.615 57.409 0.206 18299 1579 1 5 . 1 1 12 12 CYS CB C 12 29.481 29.481 26.798 2.683 18299 1580 1 5 . 1 1 12 12 CYS H H 12 8.183 8.183 8.218 -0.035 18299 1581 1 5 . 1 1 13 13 GLY N N 13 110.516 110.516 111.366 -0.850 18299 1582 1 5 . 1 1 13 13 GLY C C 13 175.328 175.328 176.295 -0.967 18299 1583 1 5 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.772 -1.191 18299 1584 1 5 . 1 1 13 13 GLY H H 13 8.737 8.737 8.345 0.392 18299 1585 1 5 . 1 1 14 14 GLY N N 14 110.521 110.521 108.770 1.751 18299 1586 1 5 . 1 1 14 14 GLY C C 14 175.741 175.741 175.760 -0.019 18299 1587 1 5 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.801 -0.795 18299 1588 1 5 . 1 1 14 14 GLY H H 14 8.677 8.677 8.414 0.263 18299 1589 1 5 . 1 1 15 15 CYS N N 15 121.304 121.304 120.171 1.133 18299 1590 1 5 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.503 -0.140 18299 1591 1 5 . 1 1 15 15 CYS C C 15 176.557 176.557 176.607 -0.050 18299 1592 1 5 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.442 0.914 18299 1593 1 5 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.807 0.715 18299 1594 1 5 . 1 1 15 15 CYS H H 15 7.853 7.853 8.423 -0.570 18299 1595 1 5 . 1 1 16 16 ALA N N 16 121.907 121.907 123.750 -1.843 18299 1596 1 5 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.092 -0.070 18299 1597 1 5 . 1 1 16 16 ALA C C 16 180.089 180.089 179.191 0.898 18299 1598 1 5 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.910 0.884 18299 1599 1 5 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.089 0.193 18299 1600 1 5 . 1 1 16 16 ALA H H 16 8.196 8.196 8.666 -0.470 18299 1601 1 5 . 1 1 17 17 GLU N N 17 118.976 118.976 119.032 -0.056 18299 1602 1 5 . 1 1 17 17 GLU HA H 17 4.065 4.065 3.971 0.094 18299 1603 1 5 . 1 1 17 17 GLU C C 17 178.541 178.541 178.080 0.461 18299 1604 1 5 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.335 0.345 18299 1605 1 5 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.508 -0.327 18299 1606 1 5 . 1 1 17 17 GLU H H 17 8.518 8.518 7.766 0.752 18299 1607 1 5 . 1 1 18 18 ALA N N 18 122.909 122.909 121.499 1.410 18299 1608 1 5 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.040 0.049 18299 1609 1 5 . 1 1 18 18 ALA C C 18 179.665 179.665 179.890 -0.225 18299 1610 1 5 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.878 0.206 18299 1611 1 5 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.422 -0.277 18299 1612 1 5 . 1 1 18 18 ALA H H 18 7.863 7.863 7.383 0.480 18299 1613 1 5 . 1 1 19 19 VAL N N 19 118.050 118.050 118.456 -0.406 18299 1614 1 5 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.630 -0.333 18299 1615 1 5 . 1 1 19 19 VAL C C 19 176.602 176.602 177.748 -1.146 18299 1616 1 5 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.943 0.358 18299 1617 1 5 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.361 0.110 18299 1618 1 5 . 1 1 19 19 VAL H H 19 7.989 7.989 7.989 -0.000 18299 1619 1 5 . 1 1 20 20 SER N N 20 113.425 113.425 115.228 -1.803 18299 1620 1 5 . 1 1 20 20 SER HA H 20 4.086 4.086 4.051 0.035 18299 1621 1 5 . 1 1 20 20 SER C C 20 175.600 175.600 176.597 -0.997 18299 1622 1 5 . 1 1 20 20 SER CA C 20 62.064 62.064 61.488 0.576 18299 1623 1 5 . 1 1 20 20 SER CB C 20 62.443 62.443 62.617 -0.174 18299 1624 1 5 . 1 1 20 20 SER H H 20 7.808 7.808 7.822 -0.014 18299 1625 1 5 . 1 1 21 21 ARG N N 21 119.858 119.858 121.642 -1.784 18299 1626 1 5 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.986 0.018 18299 1627 1 5 . 1 1 21 21 ARG C C 21 180.231 180.231 178.114 2.117 18299 1628 1 5 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.902 1.168 18299 1629 1 5 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.927 0.549 18299 1630 1 5 . 1 1 21 21 ARG H H 21 8.086 8.086 7.370 0.716 18299 1631 1 5 . 1 1 22 22 VAL N N 22 112.224 112.224 119.537 -7.313 18299 1632 1 5 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.726 0.296 18299 1633 1 5 . 1 1 22 22 VAL C C 22 179.211 179.211 177.191 2.020 18299 1634 1 5 . 1 1 22 22 VAL CA C 22 64.946 64.946 64.275 0.671 18299 1635 1 5 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.786 -0.123 18299 1636 1 5 . 1 1 22 22 VAL H H 22 7.943 7.943 7.662 0.281 18299 1637 1 5 . 1 1 23 23 LEU N N 23 122.146 122.146 121.690 0.456 18299 1638 1 5 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.892 0.094 18299 1639 1 5 . 1 1 23 23 LEU C C 23 178.347 178.347 178.283 0.064 18299 1640 1 5 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.292 -0.043 18299 1641 1 5 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.144 -0.294 18299 1642 1 5 . 1 1 23 23 LEU H H 23 7.692 7.692 7.758 -0.066 18299 1643 1 5 . 1 1 24 24 ASN N N 24 118.578 118.578 117.131 1.447 18299 1644 1 5 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.389 0.140 18299 1645 1 5 . 1 1 24 24 ASN C C 24 178.060 178.060 177.444 0.616 18299 1646 1 5 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.358 -0.752 18299 1647 1 5 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.284 -1.092 18299 1648 1 5 . 1 1 24 24 ASN H H 24 8.683 8.683 8.011 0.672 18299 1649 1 5 . 1 1 25 25 LYS N N 25 118.395 118.395 119.729 -1.334 18299 1650 1 5 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.083 -0.019 18299 1651 1 5 . 1 1 25 25 LYS C C 25 177.770 177.770 178.800 -1.030 18299 1652 1 5 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.414 -0.169 18299 1653 1 5 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.308 -0.122 18299 1654 1 5 . 1 1 25 25 LYS H H 25 7.469 7.469 7.597 -0.128 18299 1655 1 5 . 1 1 26 26 LEU N N 26 121.105 121.105 118.648 2.457 18299 1656 1 5 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.252 -0.161 18299 1657 1 5 . 1 1 26 26 LEU C C 26 178.609 178.609 178.193 0.416 18299 1658 1 5 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.492 1.250 18299 1659 1 5 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.167 0.024 18299 1660 1 5 . 1 1 26 26 LEU H H 26 7.209 7.209 7.350 -0.141 18299 1661 1 5 . 1 1 27 27 GLY N N 27 104.036 104.036 104.587 -0.551 18299 1662 1 5 . 1 1 27 27 GLY C C 27 173.508 173.508 175.170 -1.662 18299 1663 1 5 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.130 -0.897 18299 1664 1 5 . 1 1 27 27 GLY H H 27 7.691 7.691 8.536 -0.845 18299 1665 1 5 . 1 1 28 28 GLY N N 28 106.538 106.538 108.673 -2.135 18299 1666 1 5 . 1 1 28 28 GLY C C 28 175.737 175.737 174.170 1.567 18299 1667 1 5 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.111 1.507 18299 1668 1 5 . 1 1 28 28 GLY H H 28 8.603 8.603 7.669 0.934 18299 1669 1 5 . 1 1 29 29 VAL N N 29 112.116 112.116 111.566 0.550 18299 1670 1 5 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.793 0.156 18299 1671 1 5 . 1 1 29 29 VAL C C 29 174.487 174.487 174.887 -0.400 18299 1672 1 5 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.023 0.715 18299 1673 1 5 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.648 1.866 18299 1674 1 5 . 1 1 29 29 VAL H H 29 7.974 7.974 7.256 0.718 18299 1675 1 5 . 1 1 30 30 LYS N N 30 124.568 124.568 121.162 3.406 18299 1676 1 5 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.413 0.235 18299 1677 1 5 . 1 1 30 30 LYS C C 30 174.964 174.964 175.592 -0.628 18299 1678 1 5 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.133 -1.129 18299 1679 1 5 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.083 1.556 18299 1680 1 5 . 1 1 30 30 LYS H H 30 8.370 8.370 8.654 -0.284 18299 1681 1 5 . 1 1 31 31 TYR N N 31 121.504 121.504 118.293 3.211 18299 1682 1 5 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.436 0.548 18299 1683 1 5 . 1 1 31 31 TYR C C 31 172.758 172.758 174.211 -1.453 18299 1684 1 5 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.513 -0.389 18299 1685 1 5 . 1 1 31 31 TYR CB C 31 42.781 42.781 42.017 0.764 18299 1686 1 5 . 1 1 31 31 TYR H H 31 8.531 8.531 7.854 0.677 18299 1687 1 5 . 1 1 32 32 ASP N N 32 119.262 119.262 121.896 -2.634 18299 1688 1 5 . 1 1 32 32 ASP HA H 32 4.992 4.992 5.020 -0.028 18299 1689 1 5 . 1 1 32 32 ASP C C 32 174.839 174.839 174.652 0.187 18299 1690 1 5 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.903 -0.620 18299 1691 1 5 . 1 1 32 32 ASP CB C 32 44.851 44.851 45.251 -0.400 18299 1692 1 5 . 1 1 32 32 ASP H H 32 8.750 8.750 8.717 0.033 18299 1693 1 5 . 1 1 33 33 ILE N N 33 124.951 124.951 120.503 4.448 18299 1694 1 5 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.656 -0.297 18299 1695 1 5 . 1 1 33 33 ILE C C 33 173.855 173.855 175.281 -1.426 18299 1696 1 5 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.532 2.400 18299 1697 1 5 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.659 -0.025 18299 1698 1 5 . 1 1 33 33 ILE H H 33 9.001 9.001 8.507 0.494 18299 1699 1 5 . 1 1 34 34 ASP N N 34 130.202 130.202 127.753 2.449 18299 1700 1 5 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.058 -0.083 18299 1701 1 5 . 1 1 34 34 ASP C C 34 175.761 175.761 175.973 -0.212 18299 1702 1 5 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.344 -1.535 18299 1703 1 5 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.516 -0.274 18299 1704 1 5 . 1 1 34 34 ASP H H 34 9.033 9.033 8.336 0.697 18299 1705 1 5 . 1 1 35 35 LEU N N 35 123.830 123.830 125.685 -1.855 18299 1706 1 5 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.338 -0.028 18299 1707 1 5 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.354 0.508 18299 1708 1 5 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.684 -1.332 18299 1709 1 5 . 1 1 35 35 LEU H H 35 8.888 8.888 8.799 0.089 18299 1710 1 5 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.302 -0.006 18299 1711 1 5 . 1 1 36 36 PRO C C 36 177.959 177.959 177.676 0.283 18299 1712 1 5 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.182 1.204 18299 1713 1 5 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.436 0.056 18299 1714 1 5 . 1 1 37 37 ASN N N 37 110.308 110.308 113.503 -3.195 18299 1715 1 5 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.728 0.171 18299 1716 1 5 . 1 1 37 37 ASN C C 37 172.880 172.880 174.815 -1.935 18299 1717 1 5 . 1 1 37 37 ASN CA C 37 52.608 52.608 53.102 -0.494 18299 1718 1 5 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.576 -1.031 18299 1719 1 5 . 1 1 37 37 ASN H H 37 7.255 7.255 7.471 -0.216 18299 1720 1 5 . 1 1 38 38 LYS N N 38 119.648 119.648 116.097 3.551 18299 1721 1 5 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.886 -0.054 18299 1722 1 5 . 1 1 38 38 LYS C C 38 175.375 175.375 174.824 0.551 18299 1723 1 5 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.384 0.844 18299 1724 1 5 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.611 -0.159 18299 1725 1 5 . 1 1 38 38 LYS H H 38 8.328 8.328 7.985 0.343 18299 1726 1 5 . 1 1 39 39 LYS N N 39 116.950 116.950 116.679 0.271 18299 1727 1 5 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.667 0.987 18299 1728 1 5 . 1 1 39 39 LYS C C 39 174.797 174.797 174.441 0.356 18299 1729 1 5 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.020 -0.116 18299 1730 1 5 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.990 0.629 18299 1731 1 5 . 1 1 39 39 LYS H H 39 8.203 8.203 7.510 0.693 18299 1732 1 5 . 1 1 40 40 VAL N N 40 121.279 121.279 119.693 1.586 18299 1733 1 5 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.875 0.099 18299 1734 1 5 . 1 1 40 40 VAL C C 40 173.992 173.992 174.770 -0.778 18299 1735 1 5 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.275 -0.584 18299 1736 1 5 . 1 1 40 40 VAL CB C 40 35.817 35.817 33.829 1.988 18299 1737 1 5 . 1 1 40 40 VAL H H 40 9.115 9.115 8.097 1.018 18299 1738 1 5 . 1 1 41 41 CYS N N 41 126.779 126.779 124.488 2.291 18299 1739 1 5 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.378 0.257 18299 1740 1 5 . 1 1 41 41 CYS C C 41 174.839 174.839 173.898 0.941 18299 1741 1 5 . 1 1 41 41 CYS CA C 41 56.971 56.971 56.606 0.365 18299 1742 1 5 . 1 1 41 41 CYS CB C 41 29.139 29.139 29.239 -0.100 18299 1743 1 5 . 1 1 41 41 CYS H H 41 8.767 8.767 8.692 0.075 18299 1744 1 5 . 1 1 42 42 ILE N N 42 125.941 125.941 123.506 2.435 18299 1745 1 5 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.786 0.193 18299 1746 1 5 . 1 1 42 42 ILE C C 42 174.113 174.113 173.940 0.173 18299 1747 1 5 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.281 1.948 18299 1748 1 5 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.902 0.537 18299 1749 1 5 . 1 1 42 42 ILE H H 42 9.697 9.697 8.787 0.910 18299 1750 1 5 . 1 1 43 43 GLU N N 43 130.488 130.488 129.609 0.879 18299 1751 1 5 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.755 0.701 18299 1752 1 5 . 1 1 43 43 GLU C C 43 176.185 176.185 174.518 1.667 18299 1753 1 5 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.102 -0.217 18299 1754 1 5 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.944 0.082 18299 1755 1 5 . 1 1 43 43 GLU H H 43 9.510 9.510 8.534 0.976 18299 1756 1 5 . 1 1 44 44 SER N N 44 119.391 119.391 121.921 -2.530 18299 1757 1 5 . 1 1 44 44 SER HA H 44 4.868 4.868 4.819 0.049 18299 1758 1 5 . 1 1 44 44 SER C C 44 173.026 173.026 175.140 -2.114 18299 1759 1 5 . 1 1 44 44 SER CA C 44 59.104 59.104 56.840 2.264 18299 1760 1 5 . 1 1 44 44 SER CB C 44 66.159 66.159 66.432 -0.273 18299 1761 1 5 . 1 1 44 44 SER H H 44 8.681 8.681 8.344 0.337 18299 1762 1 5 . 1 1 45 45 GLU N N 45 121.420 121.420 120.229 1.191 18299 1763 1 5 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.203 0.351 18299 1764 1 5 . 1 1 45 45 GLU C C 45 177.473 177.473 177.558 -0.085 18299 1765 1 5 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.756 -2.549 18299 1766 1 5 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.506 0.345 18299 1767 1 5 . 1 1 45 45 GLU H H 45 9.026 9.026 9.032 -0.006 18299 1768 1 5 . 1 1 46 46 HIS N N 46 119.653 119.653 116.787 2.866 18299 1769 1 5 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.666 -0.023 18299 1770 1 5 . 1 1 46 46 HIS C C 46 175.514 175.514 174.623 0.891 18299 1771 1 5 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.428 1.487 18299 1772 1 5 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.794 0.931 18299 1773 1 5 . 1 1 46 46 HIS H H 46 8.423 8.423 8.022 0.401 18299 1774 1 5 . 1 1 47 47 SER N N 47 116.562 116.562 113.294 3.268 18299 1775 1 5 . 1 1 47 47 SER HA H 47 4.349 4.349 3.702 0.647 18299 1776 1 5 . 1 1 47 47 SER C C 47 174.638 174.638 173.539 1.099 18299 1777 1 5 . 1 1 47 47 SER CA C 47 57.438 57.438 58.438 -1.000 18299 1778 1 5 . 1 1 47 47 SER CB C 47 65.022 65.022 62.679 2.342 18299 1779 1 5 . 1 1 47 47 SER H H 47 9.093 9.093 8.219 0.874 18299 1780 1 5 . 1 1 48 48 MET N N 48 121.402 121.402 123.626 -2.224 18299 1781 1 5 . 1 1 48 48 MET HA H 48 3.412 3.412 4.411 -0.999 18299 1782 1 5 . 1 1 48 48 MET C C 48 177.797 177.797 174.478 3.319 18299 1783 1 5 . 1 1 48 48 MET CA C 48 60.298 60.298 56.367 3.931 18299 1784 1 5 . 1 1 48 48 MET CB C 48 30.776 30.776 31.654 -0.878 18299 1785 1 5 . 1 1 48 48 MET H H 48 8.920 8.920 8.435 0.485 18299 1786 1 5 . 1 1 49 49 ASP N N 49 116.251 116.251 118.676 -2.425 18299 1787 1 5 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.506 -0.304 18299 1788 1 5 . 1 1 49 49 ASP C C 49 179.291 179.291 176.741 2.550 18299 1789 1 5 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.304 2.251 18299 1790 1 5 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.501 0.352 18299 1791 1 5 . 1 1 49 49 ASP H H 49 8.345 8.345 8.078 0.267 18299 1792 1 5 . 1 1 50 50 THR N N 50 120.023 120.023 115.326 4.697 18299 1793 1 5 . 1 1 50 50 THR HA H 50 4.305 4.305 4.197 0.108 18299 1794 1 5 . 1 1 50 50 THR C C 50 177.416 177.416 176.121 1.295 18299 1795 1 5 . 1 1 50 50 THR CA C 50 66.392 66.392 64.914 1.478 18299 1796 1 5 . 1 1 50 50 THR CB C 50 68.452 68.452 68.694 -0.242 18299 1797 1 5 . 1 1 50 50 THR H H 50 8.019 8.019 8.066 -0.047 18299 1798 1 5 . 1 1 51 51 LEU N N 51 124.562 124.562 121.666 2.896 18299 1799 1 5 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.019 -0.511 18299 1800 1 5 . 1 1 51 51 LEU C C 51 177.386 177.386 178.641 -1.255 18299 1801 1 5 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.486 -0.023 18299 1802 1 5 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.652 1.716 18299 1803 1 5 . 1 1 51 51 LEU H H 51 8.043 8.043 7.804 0.239 18299 1804 1 5 . 1 1 52 52 LEU N N 52 120.718 120.718 116.548 4.170 18299 1805 1 5 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.738 -0.192 18299 1806 1 5 . 1 1 52 52 LEU C C 52 178.065 178.065 178.724 -0.659 18299 1807 1 5 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.953 0.518 18299 1808 1 5 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.218 2.483 18299 1809 1 5 . 1 1 52 52 LEU H H 52 8.993 8.993 7.732 1.261 18299 1810 1 5 . 1 1 53 53 ALA N N 53 118.641 118.641 121.399 -2.758 18299 1811 1 5 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.921 -0.008 18299 1812 1 5 . 1 1 53 53 ALA C C 53 180.677 180.677 179.744 0.933 18299 1813 1 5 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.075 -0.040 18299 1814 1 5 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.120 0.049 18299 1815 1 5 . 1 1 53 53 ALA H H 53 7.859 7.859 7.764 0.095 18299 1816 1 5 . 1 1 54 54 THR N N 54 114.407 114.407 115.483 -1.076 18299 1817 1 5 . 1 1 54 54 THR HA H 54 3.662 3.662 4.030 -0.368 18299 1818 1 5 . 1 1 54 54 THR C C 54 175.694 175.694 176.512 -0.818 18299 1819 1 5 . 1 1 54 54 THR CA C 54 67.449 67.449 65.569 1.880 18299 1820 1 5 . 1 1 54 54 THR CB C 54 68.226 68.226 68.633 -0.407 18299 1821 1 5 . 1 1 54 54 THR H H 54 7.688 7.688 7.473 0.215 18299 1822 1 5 . 1 1 55 55 LEU N N 55 119.491 119.491 121.111 -1.620 18299 1823 1 5 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.028 -0.226 18299 1824 1 5 . 1 1 55 55 LEU C C 55 179.660 179.660 179.284 0.376 18299 1825 1 5 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.550 0.301 18299 1826 1 5 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.452 1.555 18299 1827 1 5 . 1 1 55 55 LEU H H 55 8.104 8.104 8.705 -0.601 18299 1828 1 5 . 1 1 56 56 LYS N N 56 119.317 119.317 118.723 0.594 18299 1829 1 5 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.031 -0.062 18299 1830 1 5 . 1 1 56 56 LYS C C 56 179.227 179.227 178.376 0.851 18299 1831 1 5 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.778 1.998 18299 1832 1 5 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.869 0.353 18299 1833 1 5 . 1 1 56 56 LYS H H 56 8.333 8.333 8.182 0.151 18299 1834 1 5 . 1 1 57 57 LYS N N 57 120.188 120.188 118.214 1.974 18299 1835 1 5 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.034 0.128 18299 1836 1 5 . 1 1 57 57 LYS C C 57 178.128 178.128 178.005 0.123 18299 1837 1 5 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.953 0.131 18299 1838 1 5 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.883 0.569 18299 1839 1 5 . 1 1 57 57 LYS H H 57 7.646 7.646 7.466 0.180 18299 1840 1 5 . 1 1 58 58 THR N N 58 106.563 106.563 110.328 -3.765 18299 1841 1 5 . 1 1 58 58 THR HA H 58 4.277 4.277 4.351 -0.074 18299 1842 1 5 . 1 1 58 58 THR C C 58 175.933 175.933 175.634 0.299 18299 1843 1 5 . 1 1 58 58 THR CA C 58 63.742 63.742 63.067 0.675 18299 1844 1 5 . 1 1 58 58 THR CB C 58 71.108 71.108 70.019 1.089 18299 1845 1 5 . 1 1 58 58 THR H H 58 7.483 7.483 7.622 -0.139 18299 1846 1 5 . 1 1 59 59 GLY N N 59 108.569 108.569 109.855 -1.286 18299 1847 1 5 . 1 1 59 59 GLY C C 59 173.171 173.171 173.916 -0.745 18299 1848 1 5 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.698 0.293 18299 1849 1 5 . 1 1 59 59 GLY H H 59 7.774 7.774 7.507 0.267 18299 1850 1 5 . 1 1 60 60 ALA N N 60 122.420 122.420 124.290 -1.870 18299 1851 1 5 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.496 0.010 18299 1852 1 5 . 1 1 60 60 ALA C C 60 177.155 177.155 177.111 0.044 18299 1853 1 5 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.523 -0.468 18299 1854 1 5 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.993 0.315 18299 1855 1 5 . 1 1 60 60 ALA H H 60 7.524 7.524 7.444 0.080 18299 1856 1 5 . 1 1 61 61 THR N N 61 117.690 117.690 114.949 2.741 18299 1857 1 5 . 1 1 61 61 THR HA H 61 4.321 4.321 4.392 -0.071 18299 1858 1 5 . 1 1 61 61 THR C C 61 174.635 174.635 174.083 0.552 18299 1859 1 5 . 1 1 61 61 THR CA C 61 63.922 63.922 61.983 1.940 18299 1860 1 5 . 1 1 61 61 THR CB C 61 68.904 68.904 68.586 0.318 18299 1861 1 5 . 1 1 61 61 THR H H 61 8.491 8.491 8.677 -0.186 18299 1862 1 5 . 1 1 62 62 VAL N N 62 129.030 129.030 120.510 8.520 18299 1863 1 5 . 1 1 62 62 VAL HA H 62 5.314 5.314 5.076 0.238 18299 1864 1 5 . 1 1 62 62 VAL C C 62 174.947 174.947 175.326 -0.379 18299 1865 1 5 . 1 1 62 62 VAL CA C 62 60.315 60.315 59.096 1.219 18299 1866 1 5 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.022 1.642 18299 1867 1 5 . 1 1 62 62 VAL H H 62 8.709 8.709 8.313 0.396 18299 1868 1 5 . 1 1 63 63 SER N N 63 119.588 119.588 119.877 -0.289 18299 1869 1 5 . 1 1 63 63 SER HA H 63 4.865 4.865 4.946 -0.081 18299 1870 1 5 . 1 1 63 63 SER C C 63 173.019 173.019 172.764 0.255 18299 1871 1 5 . 1 1 63 63 SER CA C 63 57.347 57.347 57.267 0.080 18299 1872 1 5 . 1 1 63 63 SER CB C 63 65.605 65.605 65.067 0.538 18299 1873 1 5 . 1 1 63 63 SER H H 63 8.988 8.988 9.093 -0.105 18299 1874 1 5 . 1 1 64 64 TYR N N 64 125.400 125.400 127.544 -2.144 18299 1875 1 5 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.010 1.569 18299 1876 1 5 . 1 1 64 64 TYR C C 64 175.523 175.523 174.149 1.374 18299 1877 1 5 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.684 0.770 18299 1878 1 5 . 1 1 64 64 TYR CB C 64 39.022 39.022 37.762 1.260 18299 1879 1 5 . 1 1 64 64 TYR H H 64 9.391 9.391 8.959 0.432 18299 1880 1 5 . 1 1 65 65 LEU N N 65 128.500 128.500 128.642 -0.142 18299 1881 1 5 . 1 1 65 65 LEU HA H 65 4.319 4.319 3.795 0.524 18299 1882 1 5 . 1 1 65 65 LEU C C 65 176.473 176.473 177.010 -0.537 18299 1883 1 5 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.230 -0.554 18299 1884 1 5 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.413 -0.355 18299 1885 1 5 . 1 1 65 65 LEU H H 65 8.304 8.304 7.837 0.467 18299 1886 1 5 . 1 1 66 66 GLY N N 66 105.737 105.737 104.840 0.897 18299 1887 1 5 . 1 1 66 66 GLY C C 66 171.330 171.330 171.960 -0.630 18299 1888 1 5 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.087 0.949 18299 1889 1 5 . 1 1 66 66 GLY H H 66 5.977 5.977 7.042 -1.065 18299 1890 1 5 . 1 1 67 67 LEU N N 67 120.133 120.133 120.392 -0.259 18299 1891 1 5 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.847 -0.065 18299 1892 1 5 . 1 1 67 67 LEU C C 67 177.339 177.339 176.558 0.781 18299 1893 1 5 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.174 0.202 18299 1894 1 5 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.560 0.321 18299 1895 1 5 . 1 1 67 67 LEU H H 67 7.947 7.947 8.431 -0.484 18299 1896 1 6 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.629 -0.376 18299 1897 1 6 . 1 1 2 2 PRO C C 2 174.299 174.299 176.025 -1.726 18299 1898 1 6 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.483 0.852 18299 1899 1 6 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.641 -0.008 18299 1900 1 6 . 1 1 3 3 LYS N N 3 121.020 121.020 119.590 1.430 18299 1901 1 6 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.654 0.280 18299 1902 1 6 . 1 1 3 3 LYS C C 3 175.055 175.055 175.926 -0.871 18299 1903 1 6 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.297 -0.403 18299 1904 1 6 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.080 0.303 18299 1905 1 6 . 1 1 3 3 LYS H H 3 8.038 8.038 8.342 -0.304 18299 1906 1 6 . 1 1 4 4 HIS N N 4 122.815 122.815 121.940 0.875 18299 1907 1 6 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.027 -0.068 18299 1908 1 6 . 1 1 4 4 HIS C C 4 174.771 174.771 173.928 0.843 18299 1909 1 6 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.880 1.162 18299 1910 1 6 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.983 2.261 18299 1911 1 6 . 1 1 4 4 HIS H H 4 8.908 8.908 8.448 0.460 18299 1912 1 6 . 1 1 5 5 GLU N N 5 122.404 122.404 124.360 -1.956 18299 1913 1 6 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.687 0.606 18299 1914 1 6 . 1 1 5 5 GLU C C 5 174.389 174.389 174.642 -0.253 18299 1915 1 6 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.052 0.796 18299 1916 1 6 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.219 1.523 18299 1917 1 6 . 1 1 5 5 GLU H H 5 8.951 8.951 8.005 0.946 18299 1918 1 6 . 1 1 6 6 PHE N N 6 119.234 119.234 123.304 -4.070 18299 1919 1 6 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.837 0.348 18299 1920 1 6 . 1 1 6 6 PHE C C 6 175.130 175.130 173.767 1.363 18299 1921 1 6 . 1 1 6 6 PHE CA C 6 56.746 56.746 57.198 -0.452 18299 1922 1 6 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.232 -1.550 18299 1923 1 6 . 1 1 6 6 PHE H H 6 9.075 9.075 8.334 0.741 18299 1924 1 6 . 1 1 7 7 SER N N 7 118.028 118.028 118.408 -0.380 18299 1925 1 6 . 1 1 7 7 SER HA H 7 5.322 5.322 4.868 0.454 18299 1926 1 6 . 1 1 7 7 SER C C 7 174.651 174.651 172.446 2.205 18299 1927 1 6 . 1 1 7 7 SER CA C 7 56.636 56.636 57.343 -0.707 18299 1928 1 6 . 1 1 7 7 SER CB C 7 63.983 63.983 64.811 -0.828 18299 1929 1 6 . 1 1 7 7 SER H H 7 9.346 9.346 8.485 0.861 18299 1930 1 6 . 1 1 8 8 VAL N N 8 125.476 125.476 125.716 -0.240 18299 1931 1 6 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.718 -0.035 18299 1932 1 6 . 1 1 8 8 VAL C C 8 174.360 174.360 174.113 0.247 18299 1933 1 6 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.789 1.231 18299 1934 1 6 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.087 0.134 18299 1935 1 6 . 1 1 8 8 VAL H H 8 8.129 8.129 8.338 -0.209 18299 1936 1 6 . 1 1 9 9 ASP N N 9 124.989 124.989 128.570 -3.581 18299 1937 1 6 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.718 -0.022 18299 1938 1 6 . 1 1 9 9 ASP C C 9 175.278 175.278 175.424 -0.146 18299 1939 1 6 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.524 -0.513 18299 1940 1 6 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.754 -1.232 18299 1941 1 6 . 1 1 9 9 ASP H H 9 8.285 8.285 8.244 0.041 18299 1942 1 6 . 1 1 10 10 MET N N 10 125.927 125.927 123.370 2.557 18299 1943 1 6 . 1 1 10 10 MET HA H 10 4.712 4.712 4.641 0.071 18299 1944 1 6 . 1 1 10 10 MET C C 10 175.748 175.748 176.221 -0.473 18299 1945 1 6 . 1 1 10 10 MET CA C 10 54.825 54.825 55.761 -0.936 18299 1946 1 6 . 1 1 10 10 MET CB C 10 34.030 34.030 32.923 1.107 18299 1947 1 6 . 1 1 10 10 MET H H 10 8.096 8.096 8.648 -0.552 18299 1948 1 6 . 1 1 11 11 THR N N 11 116.339 116.339 119.063 -2.724 18299 1949 1 6 . 1 1 11 11 THR HA H 11 4.326 4.326 4.454 -0.128 18299 1950 1 6 . 1 1 11 11 THR C C 11 174.832 174.832 175.035 -0.203 18299 1951 1 6 . 1 1 11 11 THR CA C 11 63.908 63.908 62.800 1.108 18299 1952 1 6 . 1 1 11 11 THR CB C 11 69.529 69.529 69.481 0.048 18299 1953 1 6 . 1 1 11 11 THR H H 11 8.886 8.886 8.894 -0.008 18299 1954 1 6 . 1 1 12 12 CYS N N 12 117.534 117.534 121.805 -4.271 18299 1955 1 6 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.744 0.051 18299 1956 1 6 . 1 1 12 12 CYS C C 12 174.892 174.892 176.890 -1.998 18299 1957 1 6 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.337 -0.722 18299 1958 1 6 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.802 1.679 18299 1959 1 6 . 1 1 12 12 CYS H H 12 8.183 8.183 8.276 -0.093 18299 1960 1 6 . 1 1 13 13 GLY N N 13 110.516 110.516 110.942 -0.426 18299 1961 1 6 . 1 1 13 13 GLY C C 13 175.328 175.328 176.086 -0.758 18299 1962 1 6 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.765 -1.184 18299 1963 1 6 . 1 1 13 13 GLY H H 13 8.737 8.737 8.349 0.388 18299 1964 1 6 . 1 1 14 14 GLY N N 14 110.521 110.521 108.639 1.882 18299 1965 1 6 . 1 1 14 14 GLY C C 14 175.741 175.741 175.675 0.066 18299 1966 1 6 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.790 -0.784 18299 1967 1 6 . 1 1 14 14 GLY H H 14 8.677 8.677 8.404 0.273 18299 1968 1 6 . 1 1 15 15 CYS N N 15 121.304 121.304 120.389 0.915 18299 1969 1 6 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.460 -0.097 18299 1970 1 6 . 1 1 15 15 CYS C C 15 176.557 176.557 176.404 0.153 18299 1971 1 6 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.331 1.025 18299 1972 1 6 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.373 1.149 18299 1973 1 6 . 1 1 15 15 CYS H H 15 7.853 7.853 8.342 -0.489 18299 1974 1 6 . 1 1 16 16 ALA N N 16 121.907 121.907 122.478 -0.571 18299 1975 1 6 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.126 -0.104 18299 1976 1 6 . 1 1 16 16 ALA C C 16 180.089 180.089 179.060 1.029 18299 1977 1 6 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.938 0.856 18299 1978 1 6 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.083 0.199 18299 1979 1 6 . 1 1 16 16 ALA H H 16 8.196 8.196 8.628 -0.432 18299 1980 1 6 . 1 1 17 17 GLU N N 17 118.976 118.976 119.001 -0.025 18299 1981 1 6 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.037 0.028 18299 1982 1 6 . 1 1 17 17 GLU C C 17 178.541 178.541 178.199 0.342 18299 1983 1 6 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.241 0.439 18299 1984 1 6 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.441 -0.260 18299 1985 1 6 . 1 1 17 17 GLU H H 17 8.518 8.518 7.884 0.634 18299 1986 1 6 . 1 1 18 18 ALA N N 18 122.909 122.909 121.478 1.431 18299 1987 1 6 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.173 -0.084 18299 1988 1 6 . 1 1 18 18 ALA C C 18 179.665 179.665 179.921 -0.256 18299 1989 1 6 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.650 0.434 18299 1990 1 6 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.254 -0.109 18299 1991 1 6 . 1 1 18 18 ALA H H 18 7.863 7.863 7.447 0.416 18299 1992 1 6 . 1 1 19 19 VAL N N 19 118.050 118.050 119.035 -0.985 18299 1993 1 6 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.629 -0.332 18299 1994 1 6 . 1 1 19 19 VAL C C 19 176.602 176.602 178.113 -1.511 18299 1995 1 6 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.038 0.263 18299 1996 1 6 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.257 0.214 18299 1997 1 6 . 1 1 19 19 VAL H H 19 7.989 7.989 7.779 0.209 18299 1998 1 6 . 1 1 20 20 SER N N 20 113.425 113.425 114.673 -1.248 18299 1999 1 6 . 1 1 20 20 SER HA H 20 4.086 4.086 4.249 -0.163 18299 2000 1 6 . 1 1 20 20 SER C C 20 175.600 175.600 177.229 -1.629 18299 2001 1 6 . 1 1 20 20 SER CA C 20 62.064 62.064 61.604 0.460 18299 2002 1 6 . 1 1 20 20 SER CB C 20 62.443 62.443 62.886 -0.443 18299 2003 1 6 . 1 1 20 20 SER H H 20 7.808 7.808 7.787 0.021 18299 2004 1 6 . 1 1 21 21 ARG N N 21 119.858 119.858 121.629 -1.771 18299 2005 1 6 . 1 1 21 21 ARG HA H 21 4.004 4.004 4.028 -0.024 18299 2006 1 6 . 1 1 21 21 ARG C C 21 180.231 180.231 178.460 1.771 18299 2007 1 6 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.785 1.285 18299 2008 1 6 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.060 0.416 18299 2009 1 6 . 1 1 21 21 ARG H H 21 8.086 8.086 7.400 0.686 18299 2010 1 6 . 1 1 22 22 VAL N N 22 112.224 112.224 119.307 -7.083 18299 2011 1 6 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.733 0.289 18299 2012 1 6 . 1 1 22 22 VAL C C 22 179.211 179.211 177.126 2.085 18299 2013 1 6 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.744 -0.798 18299 2014 1 6 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.038 -0.375 18299 2015 1 6 . 1 1 22 22 VAL H H 22 7.943 7.943 7.478 0.465 18299 2016 1 6 . 1 1 23 23 LEU N N 23 122.146 122.146 120.688 1.458 18299 2017 1 6 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.906 0.080 18299 2018 1 6 . 1 1 23 23 LEU C C 23 178.347 178.347 177.981 0.366 18299 2019 1 6 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.700 -0.451 18299 2020 1 6 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.701 -0.851 18299 2021 1 6 . 1 1 23 23 LEU H H 23 7.692 7.692 7.545 0.147 18299 2022 1 6 . 1 1 24 24 ASN N N 24 118.578 118.578 116.297 2.281 18299 2023 1 6 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.302 0.227 18299 2024 1 6 . 1 1 24 24 ASN C C 24 178.060 178.060 176.925 1.135 18299 2025 1 6 . 1 1 24 24 ASN CA C 24 55.606 55.606 55.702 -0.096 18299 2026 1 6 . 1 1 24 24 ASN CB C 24 37.192 37.192 37.687 -0.495 18299 2027 1 6 . 1 1 24 24 ASN H H 24 8.683 8.683 8.033 0.650 18299 2028 1 6 . 1 1 25 25 LYS N N 25 118.395 118.395 120.392 -1.997 18299 2029 1 6 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.018 0.046 18299 2030 1 6 . 1 1 25 25 LYS C C 25 177.770 177.770 177.843 -0.073 18299 2031 1 6 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.832 -0.587 18299 2032 1 6 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.201 -0.015 18299 2033 1 6 . 1 1 25 25 LYS H H 25 7.469 7.469 7.700 -0.231 18299 2034 1 6 . 1 1 26 26 LEU N N 26 121.105 121.105 118.459 2.646 18299 2035 1 6 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.177 -0.086 18299 2036 1 6 . 1 1 26 26 LEU C C 26 178.609 178.609 177.793 0.816 18299 2037 1 6 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.370 1.372 18299 2038 1 6 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.704 0.487 18299 2039 1 6 . 1 1 26 26 LEU H H 26 7.209 7.209 7.687 -0.478 18299 2040 1 6 . 1 1 27 27 GLY N N 27 104.036 104.036 104.508 -0.472 18299 2041 1 6 . 1 1 27 27 GLY C C 27 173.508 173.508 175.090 -1.582 18299 2042 1 6 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.031 -0.798 18299 2043 1 6 . 1 1 27 27 GLY H H 27 7.691 7.691 8.328 -0.637 18299 2044 1 6 . 1 1 28 28 GLY N N 28 106.538 106.538 108.683 -2.145 18299 2045 1 6 . 1 1 28 28 GLY C C 28 175.737 175.737 174.092 1.645 18299 2046 1 6 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.878 1.740 18299 2047 1 6 . 1 1 28 28 GLY H H 28 8.603 8.603 7.737 0.866 18299 2048 1 6 . 1 1 29 29 VAL N N 29 112.116 112.116 115.950 -3.834 18299 2049 1 6 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.562 0.387 18299 2050 1 6 . 1 1 29 29 VAL C C 29 174.487 174.487 175.725 -1.238 18299 2051 1 6 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.017 0.721 18299 2052 1 6 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.824 2.690 18299 2053 1 6 . 1 1 29 29 VAL H H 29 7.974 7.974 7.328 0.646 18299 2054 1 6 . 1 1 30 30 LYS N N 30 124.568 124.568 121.476 3.092 18299 2055 1 6 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.229 0.419 18299 2056 1 6 . 1 1 30 30 LYS C C 30 174.964 174.964 175.245 -0.281 18299 2057 1 6 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.739 -1.736 18299 2058 1 6 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.829 1.810 18299 2059 1 6 . 1 1 30 30 LYS H H 30 8.370 8.370 8.697 -0.327 18299 2060 1 6 . 1 1 31 31 TYR N N 31 121.504 121.504 120.294 1.210 18299 2061 1 6 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.064 0.920 18299 2062 1 6 . 1 1 31 31 TYR C C 31 172.758 172.758 174.021 -1.263 18299 2063 1 6 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.813 -0.689 18299 2064 1 6 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.471 1.310 18299 2065 1 6 . 1 1 31 31 TYR H H 31 8.531 8.531 8.498 0.033 18299 2066 1 6 . 1 1 32 32 ASP N N 32 119.262 119.262 121.807 -2.545 18299 2067 1 6 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.356 0.636 18299 2068 1 6 . 1 1 32 32 ASP C C 32 174.839 174.839 174.002 0.837 18299 2069 1 6 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.630 -0.346 18299 2070 1 6 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.367 0.484 18299 2071 1 6 . 1 1 32 32 ASP H H 32 8.750 8.750 8.320 0.430 18299 2072 1 6 . 1 1 33 33 ILE N N 33 124.951 124.951 119.944 5.007 18299 2073 1 6 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.506 -0.147 18299 2074 1 6 . 1 1 33 33 ILE C C 33 173.855 173.855 175.048 -1.193 18299 2075 1 6 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.617 2.315 18299 2076 1 6 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.114 0.520 18299 2077 1 6 . 1 1 33 33 ILE H H 33 9.001 9.001 8.117 0.884 18299 2078 1 6 . 1 1 34 34 ASP N N 34 130.202 130.202 128.187 2.015 18299 2079 1 6 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.933 0.042 18299 2080 1 6 . 1 1 34 34 ASP C C 34 175.761 175.761 175.905 -0.144 18299 2081 1 6 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.672 -1.863 18299 2082 1 6 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.924 -0.683 18299 2083 1 6 . 1 1 34 34 ASP H H 34 9.033 9.033 8.287 0.746 18299 2084 1 6 . 1 1 35 35 LEU N N 35 123.830 123.830 125.632 -1.802 18299 2085 1 6 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.125 0.185 18299 2086 1 6 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.513 0.349 18299 2087 1 6 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.467 -1.115 18299 2088 1 6 . 1 1 35 35 LEU H H 35 8.888 8.888 8.662 0.226 18299 2089 1 6 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.199 0.097 18299 2090 1 6 . 1 1 36 36 PRO C C 36 177.959 177.959 178.471 -0.512 18299 2091 1 6 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.573 0.813 18299 2092 1 6 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.250 0.243 18299 2093 1 6 . 1 1 37 37 ASN N N 37 110.308 110.308 113.793 -3.485 18299 2094 1 6 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.719 0.180 18299 2095 1 6 . 1 1 37 37 ASN C C 37 172.880 172.880 175.018 -2.138 18299 2096 1 6 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.897 -0.289 18299 2097 1 6 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.860 -1.315 18299 2098 1 6 . 1 1 37 37 ASN H H 37 7.255 7.255 7.611 -0.356 18299 2099 1 6 . 1 1 38 38 LYS N N 38 119.648 119.648 117.156 2.492 18299 2100 1 6 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.957 -0.125 18299 2101 1 6 . 1 1 38 38 LYS C C 38 175.375 175.375 174.663 0.712 18299 2102 1 6 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.389 0.839 18299 2103 1 6 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.665 -0.213 18299 2104 1 6 . 1 1 38 38 LYS H H 38 8.328 8.328 8.137 0.191 18299 2105 1 6 . 1 1 39 39 LYS N N 39 116.950 116.950 115.139 1.811 18299 2106 1 6 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.680 0.974 18299 2107 1 6 . 1 1 39 39 LYS C C 39 174.797 174.797 174.069 0.728 18299 2108 1 6 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.454 0.450 18299 2109 1 6 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.509 1.110 18299 2110 1 6 . 1 1 39 39 LYS H H 39 8.203 8.203 7.441 0.762 18299 2111 1 6 . 1 1 40 40 VAL N N 40 121.279 121.279 119.559 1.720 18299 2112 1 6 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.665 0.309 18299 2113 1 6 . 1 1 40 40 VAL C C 40 173.992 173.992 174.492 -0.500 18299 2114 1 6 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.648 -0.957 18299 2115 1 6 . 1 1 40 40 VAL CB C 40 35.817 35.817 35.394 0.423 18299 2116 1 6 . 1 1 40 40 VAL H H 40 9.115 9.115 8.246 0.869 18299 2117 1 6 . 1 1 41 41 CYS N N 41 126.779 126.779 126.269 0.510 18299 2118 1 6 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.002 0.633 18299 2119 1 6 . 1 1 41 41 CYS C C 41 174.839 174.839 173.229 1.610 18299 2120 1 6 . 1 1 41 41 CYS CA C 41 56.971 56.971 58.106 -1.135 18299 2121 1 6 . 1 1 41 41 CYS CB C 41 29.139 29.139 29.080 0.059 18299 2122 1 6 . 1 1 41 41 CYS H H 41 8.767 8.767 8.368 0.399 18299 2123 1 6 . 1 1 42 42 ILE N N 42 125.941 125.941 126.069 -0.128 18299 2124 1 6 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.722 0.257 18299 2125 1 6 . 1 1 42 42 ILE C C 42 174.113 174.113 173.512 0.601 18299 2126 1 6 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.440 1.789 18299 2127 1 6 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.062 0.377 18299 2128 1 6 . 1 1 42 42 ILE H H 42 9.697 9.697 8.579 1.117 18299 2129 1 6 . 1 1 43 43 GLU N N 43 130.488 130.488 129.883 0.605 18299 2130 1 6 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.788 0.668 18299 2131 1 6 . 1 1 43 43 GLU C C 43 176.185 176.185 174.607 1.578 18299 2132 1 6 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.273 -0.389 18299 2133 1 6 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.443 0.583 18299 2134 1 6 . 1 1 43 43 GLU H H 43 9.510 9.510 8.404 1.106 18299 2135 1 6 . 1 1 44 44 SER N N 44 119.391 119.391 119.703 -0.312 18299 2136 1 6 . 1 1 44 44 SER HA H 44 4.868 4.868 4.787 0.081 18299 2137 1 6 . 1 1 44 44 SER C C 44 173.026 173.026 175.215 -2.189 18299 2138 1 6 . 1 1 44 44 SER CA C 44 59.104 59.104 56.592 2.512 18299 2139 1 6 . 1 1 44 44 SER CB C 44 66.159 66.159 66.742 -0.583 18299 2140 1 6 . 1 1 44 44 SER H H 44 8.681 8.681 8.521 0.160 18299 2141 1 6 . 1 1 45 45 GLU N N 45 121.420 121.420 120.773 0.647 18299 2142 1 6 . 1 1 45 45 GLU HA H 45 4.554 4.554 3.984 0.570 18299 2143 1 6 . 1 1 45 45 GLU C C 45 177.473 177.473 177.037 0.436 18299 2144 1 6 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.882 -2.675 18299 2145 1 6 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.255 0.596 18299 2146 1 6 . 1 1 45 45 GLU H H 45 9.026 9.026 9.071 -0.045 18299 2147 1 6 . 1 1 46 46 HIS N N 46 119.653 119.653 116.495 3.158 18299 2148 1 6 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.578 0.065 18299 2149 1 6 . 1 1 46 46 HIS C C 46 175.514 175.514 174.850 0.664 18299 2150 1 6 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.821 1.094 18299 2151 1 6 . 1 1 46 46 HIS CB C 46 31.725 31.725 29.679 2.046 18299 2152 1 6 . 1 1 46 46 HIS H H 46 8.423 8.423 8.020 0.403 18299 2153 1 6 . 1 1 47 47 SER N N 47 116.562 116.562 115.650 0.912 18299 2154 1 6 . 1 1 47 47 SER HA H 47 4.349 4.349 4.044 0.305 18299 2155 1 6 . 1 1 47 47 SER C C 47 174.638 174.638 174.263 0.375 18299 2156 1 6 . 1 1 47 47 SER CA C 47 57.438 57.438 58.668 -1.230 18299 2157 1 6 . 1 1 47 47 SER CB C 47 65.022 65.022 62.296 2.726 18299 2158 1 6 . 1 1 47 47 SER H H 47 9.093 9.093 8.067 1.026 18299 2159 1 6 . 1 1 48 48 MET N N 48 121.402 121.402 122.102 -0.700 18299 2160 1 6 . 1 1 48 48 MET HA H 48 3.412 3.412 4.446 -1.034 18299 2161 1 6 . 1 1 48 48 MET C C 48 177.797 177.797 174.254 3.543 18299 2162 1 6 . 1 1 48 48 MET CA C 48 60.298 60.298 57.097 3.201 18299 2163 1 6 . 1 1 48 48 MET CB C 48 30.776 30.776 31.908 -1.132 18299 2164 1 6 . 1 1 48 48 MET H H 48 8.920 8.920 8.862 0.058 18299 2165 1 6 . 1 1 49 49 ASP N N 49 116.251 116.251 116.755 -0.504 18299 2166 1 6 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.517 -0.315 18299 2167 1 6 . 1 1 49 49 ASP C C 49 179.291 179.291 176.611 2.680 18299 2168 1 6 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.526 2.029 18299 2169 1 6 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.626 0.226 18299 2170 1 6 . 1 1 49 49 ASP H H 49 8.345 8.345 8.172 0.173 18299 2171 1 6 . 1 1 50 50 THR N N 50 120.023 120.023 116.505 3.518 18299 2172 1 6 . 1 1 50 50 THR HA H 50 4.305 4.305 4.085 0.220 18299 2173 1 6 . 1 1 50 50 THR C C 50 177.416 177.416 176.205 1.211 18299 2174 1 6 . 1 1 50 50 THR CA C 50 66.392 66.392 64.280 2.112 18299 2175 1 6 . 1 1 50 50 THR CB C 50 68.452 68.452 68.381 0.071 18299 2176 1 6 . 1 1 50 50 THR H H 50 8.019 8.019 8.446 -0.427 18299 2177 1 6 . 1 1 51 51 LEU N N 51 124.562 124.562 121.725 2.837 18299 2178 1 6 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.036 -0.528 18299 2179 1 6 . 1 1 51 51 LEU C C 51 177.386 177.386 179.021 -1.635 18299 2180 1 6 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.449 0.014 18299 2181 1 6 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.896 1.472 18299 2182 1 6 . 1 1 51 51 LEU H H 51 8.043 8.043 7.809 0.234 18299 2183 1 6 . 1 1 52 52 LEU N N 52 120.718 120.718 116.800 3.918 18299 2184 1 6 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.897 -0.351 18299 2185 1 6 . 1 1 52 52 LEU C C 52 178.065 178.065 178.871 -0.806 18299 2186 1 6 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.865 0.606 18299 2187 1 6 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.286 2.414 18299 2188 1 6 . 1 1 52 52 LEU H H 52 8.993 8.993 7.688 1.305 18299 2189 1 6 . 1 1 53 53 ALA N N 53 118.641 118.641 121.309 -2.668 18299 2190 1 6 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.966 -0.053 18299 2191 1 6 . 1 1 53 53 ALA C C 53 180.677 180.677 179.602 1.075 18299 2192 1 6 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.065 -0.030 18299 2193 1 6 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.273 -0.104 18299 2194 1 6 . 1 1 53 53 ALA H H 53 7.859 7.859 7.729 0.130 18299 2195 1 6 . 1 1 54 54 THR N N 54 114.407 114.407 112.613 1.794 18299 2196 1 6 . 1 1 54 54 THR HA H 54 3.662 3.662 3.974 -0.312 18299 2197 1 6 . 1 1 54 54 THR C C 54 175.694 175.694 176.739 -1.045 18299 2198 1 6 . 1 1 54 54 THR CA C 54 67.449 67.449 65.547 1.902 18299 2199 1 6 . 1 1 54 54 THR CB C 54 68.226 68.226 68.909 -0.684 18299 2200 1 6 . 1 1 54 54 THR H H 54 7.688 7.688 7.635 0.053 18299 2201 1 6 . 1 1 55 55 LEU N N 55 119.491 119.491 120.985 -1.494 18299 2202 1 6 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.017 -0.215 18299 2203 1 6 . 1 1 55 55 LEU C C 55 179.660 179.660 179.230 0.430 18299 2204 1 6 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.376 0.475 18299 2205 1 6 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.838 1.169 18299 2206 1 6 . 1 1 55 55 LEU H H 55 8.104 8.104 8.512 -0.408 18299 2207 1 6 . 1 1 56 56 LYS N N 56 119.317 119.317 118.102 1.215 18299 2208 1 6 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.124 -0.155 18299 2209 1 6 . 1 1 56 56 LYS C C 56 179.227 179.227 179.254 -0.027 18299 2210 1 6 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.590 2.186 18299 2211 1 6 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.601 0.621 18299 2212 1 6 . 1 1 56 56 LYS H H 56 8.333 8.333 8.206 0.127 18299 2213 1 6 . 1 1 57 57 LYS N N 57 120.188 120.188 119.339 0.849 18299 2214 1 6 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.026 0.136 18299 2215 1 6 . 1 1 57 57 LYS C C 57 178.128 178.128 178.086 0.042 18299 2216 1 6 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.022 0.062 18299 2217 1 6 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.719 0.733 18299 2218 1 6 . 1 1 57 57 LYS H H 57 7.646 7.646 7.449 0.197 18299 2219 1 6 . 1 1 58 58 THR N N 58 106.563 106.563 109.420 -2.857 18299 2220 1 6 . 1 1 58 58 THR HA H 58 4.277 4.277 4.377 -0.100 18299 2221 1 6 . 1 1 58 58 THR C C 58 175.933 175.933 175.761 0.172 18299 2222 1 6 . 1 1 58 58 THR CA C 58 63.742 63.742 62.642 1.100 18299 2223 1 6 . 1 1 58 58 THR CB C 58 71.108 71.108 69.649 1.459 18299 2224 1 6 . 1 1 58 58 THR H H 58 7.483 7.483 7.649 -0.166 18299 2225 1 6 . 1 1 59 59 GLY N N 59 108.569 108.569 110.557 -1.988 18299 2226 1 6 . 1 1 59 59 GLY C C 59 173.171 173.171 173.697 -0.526 18299 2227 1 6 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.898 0.093 18299 2228 1 6 . 1 1 59 59 GLY H H 59 7.774 7.774 8.125 -0.351 18299 2229 1 6 . 1 1 60 60 ALA N N 60 122.420 122.420 123.933 -1.513 18299 2230 1 6 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.479 0.027 18299 2231 1 6 . 1 1 60 60 ALA C C 60 177.155 177.155 177.662 -0.507 18299 2232 1 6 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.609 -0.554 18299 2233 1 6 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.713 0.595 18299 2234 1 6 . 1 1 60 60 ALA H H 60 7.524 7.524 7.411 0.113 18299 2235 1 6 . 1 1 61 61 THR N N 61 117.690 117.690 117.941 -0.251 18299 2236 1 6 . 1 1 61 61 THR HA H 61 4.321 4.321 4.152 0.169 18299 2237 1 6 . 1 1 61 61 THR C C 61 174.635 174.635 173.502 1.133 18299 2238 1 6 . 1 1 61 61 THR CA C 61 63.922 63.922 62.558 1.364 18299 2239 1 6 . 1 1 61 61 THR CB C 61 68.904 68.904 69.313 -0.409 18299 2240 1 6 . 1 1 61 61 THR H H 61 8.491 8.491 8.457 0.034 18299 2241 1 6 . 1 1 62 62 VAL N N 62 129.030 129.030 123.224 5.806 18299 2242 1 6 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.374 0.940 18299 2243 1 6 . 1 1 62 62 VAL C C 62 174.947 174.947 175.247 -0.300 18299 2244 1 6 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.506 -0.191 18299 2245 1 6 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.129 0.535 18299 2246 1 6 . 1 1 62 62 VAL H H 62 8.709 8.709 8.234 0.475 18299 2247 1 6 . 1 1 63 63 SER N N 63 119.588 119.588 123.127 -3.539 18299 2248 1 6 . 1 1 63 63 SER HA H 63 4.865 4.865 4.721 0.144 18299 2249 1 6 . 1 1 63 63 SER C C 63 173.019 173.019 172.575 0.444 18299 2250 1 6 . 1 1 63 63 SER CA C 63 57.347 57.347 57.291 0.056 18299 2251 1 6 . 1 1 63 63 SER CB C 63 65.605 65.605 65.077 0.528 18299 2252 1 6 . 1 1 63 63 SER H H 63 8.988 8.988 8.472 0.516 18299 2253 1 6 . 1 1 64 64 TYR N N 64 125.400 125.400 127.966 -2.566 18299 2254 1 6 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.417 1.162 18299 2255 1 6 . 1 1 64 64 TYR C C 64 175.523 175.523 174.909 0.614 18299 2256 1 6 . 1 1 64 64 TYR CA C 64 57.454 57.454 58.042 -0.588 18299 2257 1 6 . 1 1 64 64 TYR CB C 64 39.022 39.022 37.928 1.094 18299 2258 1 6 . 1 1 64 64 TYR H H 64 9.391 9.391 8.679 0.712 18299 2259 1 6 . 1 1 65 65 LEU N N 65 128.500 128.500 127.042 1.458 18299 2260 1 6 . 1 1 65 65 LEU HA H 65 4.319 4.319 3.956 0.363 18299 2261 1 6 . 1 1 65 65 LEU C C 65 176.473 176.473 176.469 0.004 18299 2262 1 6 . 1 1 65 65 LEU CA C 65 54.677 54.677 54.877 -0.200 18299 2263 1 6 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.076 -0.018 18299 2264 1 6 . 1 1 65 65 LEU H H 65 8.304 8.304 7.635 0.669 18299 2265 1 6 . 1 1 66 66 GLY N N 66 105.737 105.737 103.060 2.677 18299 2266 1 6 . 1 1 66 66 GLY C C 66 171.330 171.330 171.568 -0.238 18299 2267 1 6 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.673 0.363 18299 2268 1 6 . 1 1 66 66 GLY H H 66 5.977 5.977 6.729 -0.752 18299 2269 1 6 . 1 1 67 67 LEU N N 67 120.133 120.133 121.202 -1.069 18299 2270 1 6 . 1 1 67 67 LEU HA H 67 4.782 4.782 5.001 -0.219 18299 2271 1 6 . 1 1 67 67 LEU C C 67 177.339 177.339 175.313 2.026 18299 2272 1 6 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.928 0.448 18299 2273 1 6 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.865 -0.984 18299 2274 1 6 . 1 1 67 67 LEU H H 67 7.947 7.947 8.448 -0.501 18299 2275 1 7 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.285 -0.032 18299 2276 1 7 . 1 1 2 2 PRO C C 2 174.299 174.299 175.860 -1.561 18299 2277 1 7 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.893 0.442 18299 2278 1 7 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.142 0.490 18299 2279 1 7 . 1 1 3 3 LYS N N 3 121.020 121.020 120.924 0.096 18299 2280 1 7 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.546 0.388 18299 2281 1 7 . 1 1 3 3 LYS C C 3 175.055 175.055 174.832 0.223 18299 2282 1 7 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.802 -0.908 18299 2283 1 7 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.702 -0.320 18299 2284 1 7 . 1 1 3 3 LYS H H 3 8.038 8.038 7.944 0.094 18299 2285 1 7 . 1 1 4 4 HIS N N 4 122.815 122.815 124.674 -1.859 18299 2286 1 7 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.108 -0.149 18299 2287 1 7 . 1 1 4 4 HIS C C 4 174.771 174.771 174.008 0.763 18299 2288 1 7 . 1 1 4 4 HIS CA C 4 56.042 56.042 53.846 2.196 18299 2289 1 7 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.287 1.957 18299 2290 1 7 . 1 1 4 4 HIS H H 4 8.908 8.908 8.853 0.055 18299 2291 1 7 . 1 1 5 5 GLU N N 5 122.404 122.404 125.982 -3.578 18299 2292 1 7 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.754 0.539 18299 2293 1 7 . 1 1 5 5 GLU C C 5 174.389 174.389 174.912 -0.523 18299 2294 1 7 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.362 0.486 18299 2295 1 7 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.322 1.420 18299 2296 1 7 . 1 1 5 5 GLU H H 5 8.951 8.951 8.729 0.222 18299 2297 1 7 . 1 1 6 6 PHE N N 6 119.234 119.234 124.521 -5.287 18299 2298 1 7 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.025 0.160 18299 2299 1 7 . 1 1 6 6 PHE C C 6 175.130 175.130 174.414 0.716 18299 2300 1 7 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.455 0.291 18299 2301 1 7 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.369 -0.687 18299 2302 1 7 . 1 1 6 6 PHE H H 6 9.075 9.075 8.113 0.962 18299 2303 1 7 . 1 1 7 7 SER N N 7 118.028 118.028 119.489 -1.461 18299 2304 1 7 . 1 1 7 7 SER HA H 7 5.322 5.322 4.783 0.539 18299 2305 1 7 . 1 1 7 7 SER C C 7 174.651 174.651 172.530 2.121 18299 2306 1 7 . 1 1 7 7 SER CA C 7 56.636 56.636 57.921 -1.285 18299 2307 1 7 . 1 1 7 7 SER CB C 7 63.983 63.983 63.900 0.083 18299 2308 1 7 . 1 1 7 7 SER H H 7 9.346 9.346 8.826 0.520 18299 2309 1 7 . 1 1 8 8 VAL N N 8 125.476 125.476 125.824 -0.348 18299 2310 1 7 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.731 -0.048 18299 2311 1 7 . 1 1 8 8 VAL C C 8 174.360 174.360 174.127 0.233 18299 2312 1 7 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.697 1.323 18299 2313 1 7 . 1 1 8 8 VAL CB C 8 35.221 35.221 34.542 0.679 18299 2314 1 7 . 1 1 8 8 VAL H H 8 8.129 8.129 8.499 -0.370 18299 2315 1 7 . 1 1 9 9 ASP N N 9 124.989 124.989 129.778 -4.789 18299 2316 1 7 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.745 -0.049 18299 2317 1 7 . 1 1 9 9 ASP C C 9 175.278 175.278 175.408 -0.130 18299 2318 1 7 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.970 0.041 18299 2319 1 7 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.686 -1.165 18299 2320 1 7 . 1 1 9 9 ASP H H 9 8.285 8.285 8.209 0.076 18299 2321 1 7 . 1 1 10 10 MET N N 10 125.927 125.927 124.536 1.391 18299 2322 1 7 . 1 1 10 10 MET HA H 10 4.712 4.712 4.471 0.241 18299 2323 1 7 . 1 1 10 10 MET C C 10 175.748 175.748 176.270 -0.522 18299 2324 1 7 . 1 1 10 10 MET CA C 10 54.825 54.825 56.156 -1.331 18299 2325 1 7 . 1 1 10 10 MET CB C 10 34.030 34.030 32.322 1.708 18299 2326 1 7 . 1 1 10 10 MET H H 10 8.096 8.096 8.447 -0.351 18299 2327 1 7 . 1 1 11 11 THR N N 11 116.339 116.339 117.835 -1.496 18299 2328 1 7 . 1 1 11 11 THR HA H 11 4.326 4.326 4.518 -0.192 18299 2329 1 7 . 1 1 11 11 THR C C 11 174.832 174.832 175.277 -0.445 18299 2330 1 7 . 1 1 11 11 THR CA C 11 63.908 63.908 62.658 1.250 18299 2331 1 7 . 1 1 11 11 THR CB C 11 69.529 69.529 69.588 -0.059 18299 2332 1 7 . 1 1 11 11 THR H H 11 8.886 8.886 8.678 0.208 18299 2333 1 7 . 1 1 12 12 CYS N N 12 117.534 117.534 121.040 -3.506 18299 2334 1 7 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.731 0.064 18299 2335 1 7 . 1 1 12 12 CYS C C 12 174.892 174.892 176.390 -1.498 18299 2336 1 7 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.383 -0.768 18299 2337 1 7 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.202 2.279 18299 2338 1 7 . 1 1 12 12 CYS H H 12 8.183 8.183 8.186 -0.003 18299 2339 1 7 . 1 1 13 13 GLY N N 13 110.516 110.516 111.282 -0.766 18299 2340 1 7 . 1 1 13 13 GLY C C 13 175.328 175.328 176.317 -0.989 18299 2341 1 7 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.745 -1.164 18299 2342 1 7 . 1 1 13 13 GLY H H 13 8.737 8.737 8.362 0.375 18299 2343 1 7 . 1 1 14 14 GLY N N 14 110.521 110.521 108.774 1.747 18299 2344 1 7 . 1 1 14 14 GLY C C 14 175.741 175.741 175.838 -0.097 18299 2345 1 7 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.840 -0.834 18299 2346 1 7 . 1 1 14 14 GLY H H 14 8.677 8.677 8.447 0.230 18299 2347 1 7 . 1 1 15 15 CYS N N 15 121.304 121.304 120.491 0.813 18299 2348 1 7 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.442 -0.079 18299 2349 1 7 . 1 1 15 15 CYS C C 15 176.557 176.557 176.723 -0.166 18299 2350 1 7 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.585 0.771 18299 2351 1 7 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.467 1.055 18299 2352 1 7 . 1 1 15 15 CYS H H 15 7.853 7.853 8.289 -0.436 18299 2353 1 7 . 1 1 16 16 ALA N N 16 121.907 121.907 123.626 -1.719 18299 2354 1 7 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.111 -0.089 18299 2355 1 7 . 1 1 16 16 ALA C C 16 180.089 180.089 179.166 0.923 18299 2356 1 7 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.887 0.907 18299 2357 1 7 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.107 0.175 18299 2358 1 7 . 1 1 16 16 ALA H H 16 8.196 8.196 8.697 -0.501 18299 2359 1 7 . 1 1 17 17 GLU N N 17 118.976 118.976 119.004 -0.028 18299 2360 1 7 . 1 1 17 17 GLU HA H 17 4.065 4.065 3.997 0.068 18299 2361 1 7 . 1 1 17 17 GLU C C 17 178.541 178.541 178.260 0.281 18299 2362 1 7 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.300 0.380 18299 2363 1 7 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.371 -0.190 18299 2364 1 7 . 1 1 17 17 GLU H H 17 8.518 8.518 7.940 0.578 18299 2365 1 7 . 1 1 18 18 ALA N N 18 122.909 122.909 121.209 1.700 18299 2366 1 7 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.142 -0.053 18299 2367 1 7 . 1 1 18 18 ALA C C 18 179.665 179.665 179.969 -0.304 18299 2368 1 7 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.532 0.551 18299 2369 1 7 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.359 -0.214 18299 2370 1 7 . 1 1 18 18 ALA H H 18 7.863 7.863 7.364 0.499 18299 2371 1 7 . 1 1 19 19 VAL N N 19 118.050 118.050 119.173 -1.123 18299 2372 1 7 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.637 -0.340 18299 2373 1 7 . 1 1 19 19 VAL C C 19 176.602 176.602 178.387 -1.785 18299 2374 1 7 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.997 0.304 18299 2375 1 7 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.156 0.315 18299 2376 1 7 . 1 1 19 19 VAL H H 19 7.989 7.989 8.079 -0.090 18299 2377 1 7 . 1 1 20 20 SER N N 20 113.425 113.425 115.711 -2.286 18299 2378 1 7 . 1 1 20 20 SER HA H 20 4.086 4.086 4.122 -0.036 18299 2379 1 7 . 1 1 20 20 SER C C 20 175.600 175.600 176.439 -0.839 18299 2380 1 7 . 1 1 20 20 SER CA C 20 62.064 62.064 61.406 0.658 18299 2381 1 7 . 1 1 20 20 SER CB C 20 62.443 62.443 62.504 -0.061 18299 2382 1 7 . 1 1 20 20 SER H H 20 7.808 7.808 7.949 -0.141 18299 2383 1 7 . 1 1 21 21 ARG N N 21 119.858 119.858 121.914 -2.056 18299 2384 1 7 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.941 0.063 18299 2385 1 7 . 1 1 21 21 ARG C C 21 180.231 180.231 178.230 2.001 18299 2386 1 7 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.073 0.997 18299 2387 1 7 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.939 0.537 18299 2388 1 7 . 1 1 21 21 ARG H H 21 8.086 8.086 7.480 0.606 18299 2389 1 7 . 1 1 22 22 VAL N N 22 112.224 112.224 119.515 -7.291 18299 2390 1 7 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.712 0.310 18299 2391 1 7 . 1 1 22 22 VAL C C 22 179.211 179.211 177.457 1.754 18299 2392 1 7 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.080 -0.134 18299 2393 1 7 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.872 -0.208 18299 2394 1 7 . 1 1 22 22 VAL H H 22 7.943 7.943 7.732 0.211 18299 2395 1 7 . 1 1 23 23 LEU N N 23 122.146 122.146 121.904 0.242 18299 2396 1 7 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.013 -0.027 18299 2397 1 7 . 1 1 23 23 LEU C C 23 178.347 178.347 178.387 -0.040 18299 2398 1 7 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.620 -0.371 18299 2399 1 7 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.566 -0.716 18299 2400 1 7 . 1 1 23 23 LEU H H 23 7.692 7.692 8.145 -0.453 18299 2401 1 7 . 1 1 24 24 ASN N N 24 118.578 118.578 116.785 1.793 18299 2402 1 7 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.352 0.177 18299 2403 1 7 . 1 1 24 24 ASN C C 24 178.060 178.060 176.253 1.807 18299 2404 1 7 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.112 -0.506 18299 2405 1 7 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.496 -1.304 18299 2406 1 7 . 1 1 24 24 ASN H H 24 8.683 8.683 7.847 0.836 18299 2407 1 7 . 1 1 25 25 LYS N N 25 118.395 118.395 117.982 0.413 18299 2408 1 7 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.047 0.017 18299 2409 1 7 . 1 1 25 25 LYS C C 25 177.770 177.770 178.642 -0.872 18299 2410 1 7 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.498 -0.253 18299 2411 1 7 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.253 -0.067 18299 2412 1 7 . 1 1 25 25 LYS H H 25 7.469 7.469 7.225 0.244 18299 2413 1 7 . 1 1 26 26 LEU N N 26 121.105 121.105 118.155 2.950 18299 2414 1 7 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.247 -0.156 18299 2415 1 7 . 1 1 26 26 LEU C C 26 178.609 178.609 178.144 0.465 18299 2416 1 7 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.367 1.375 18299 2417 1 7 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.998 0.193 18299 2418 1 7 . 1 1 26 26 LEU H H 26 7.209 7.209 7.730 -0.521 18299 2419 1 7 . 1 1 27 27 GLY N N 27 104.036 104.036 102.776 1.260 18299 2420 1 7 . 1 1 27 27 GLY C C 27 173.508 173.508 175.004 -1.496 18299 2421 1 7 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.019 -0.786 18299 2422 1 7 . 1 1 27 27 GLY H H 27 7.691 7.691 8.041 -0.350 18299 2423 1 7 . 1 1 28 28 GLY N N 28 106.538 106.538 109.107 -2.569 18299 2424 1 7 . 1 1 28 28 GLY C C 28 175.737 175.737 174.250 1.487 18299 2425 1 7 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.117 1.501 18299 2426 1 7 . 1 1 28 28 GLY H H 28 8.603 8.603 7.628 0.975 18299 2427 1 7 . 1 1 29 29 VAL N N 29 112.116 112.116 113.859 -1.743 18299 2428 1 7 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.396 0.553 18299 2429 1 7 . 1 1 29 29 VAL C C 29 174.487 174.487 175.096 -0.609 18299 2430 1 7 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.806 0.932 18299 2431 1 7 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.089 2.425 18299 2432 1 7 . 1 1 29 29 VAL H H 29 7.974 7.974 7.168 0.806 18299 2433 1 7 . 1 1 30 30 LYS N N 30 124.568 124.568 122.091 2.477 18299 2434 1 7 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.455 0.193 18299 2435 1 7 . 1 1 30 30 LYS C C 30 174.964 174.964 175.466 -0.502 18299 2436 1 7 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.117 -1.113 18299 2437 1 7 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.302 1.337 18299 2438 1 7 . 1 1 30 30 LYS H H 30 8.370 8.370 8.607 -0.237 18299 2439 1 7 . 1 1 31 31 TYR N N 31 121.504 121.504 120.169 1.335 18299 2440 1 7 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.509 0.475 18299 2441 1 7 . 1 1 31 31 TYR C C 31 172.758 172.758 173.980 -1.222 18299 2442 1 7 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.039 0.085 18299 2443 1 7 . 1 1 31 31 TYR CB C 31 42.781 42.781 42.135 0.646 18299 2444 1 7 . 1 1 31 31 TYR H H 31 8.531 8.531 8.300 0.231 18299 2445 1 7 . 1 1 32 32 ASP N N 32 119.262 119.262 121.040 -1.778 18299 2446 1 7 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.687 0.305 18299 2447 1 7 . 1 1 32 32 ASP C C 32 174.839 174.839 174.607 0.232 18299 2448 1 7 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.949 -0.666 18299 2449 1 7 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.488 0.363 18299 2450 1 7 . 1 1 32 32 ASP H H 32 8.750 8.750 8.354 0.396 18299 2451 1 7 . 1 1 33 33 ILE N N 33 124.951 124.951 119.475 5.476 18299 2452 1 7 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.566 -0.207 18299 2453 1 7 . 1 1 33 33 ILE C C 33 173.855 173.855 175.025 -1.170 18299 2454 1 7 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.119 1.813 18299 2455 1 7 . 1 1 33 33 ILE CB C 33 39.634 39.634 38.890 0.744 18299 2456 1 7 . 1 1 33 33 ILE H H 33 9.001 9.001 8.347 0.654 18299 2457 1 7 . 1 1 34 34 ASP N N 34 130.202 130.202 128.647 1.555 18299 2458 1 7 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.923 0.052 18299 2459 1 7 . 1 1 34 34 ASP C C 34 175.761 175.761 175.957 -0.196 18299 2460 1 7 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.807 -1.998 18299 2461 1 7 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.336 -0.095 18299 2462 1 7 . 1 1 34 34 ASP H H 34 9.033 9.033 8.310 0.723 18299 2463 1 7 . 1 1 35 35 LEU N N 35 123.830 123.830 126.181 -2.351 18299 2464 1 7 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.289 0.021 18299 2465 1 7 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.597 0.265 18299 2466 1 7 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.552 -1.200 18299 2467 1 7 . 1 1 35 35 LEU H H 35 8.888 8.888 8.564 0.324 18299 2468 1 7 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.229 0.067 18299 2469 1 7 . 1 1 36 36 PRO C C 36 177.959 177.959 177.692 0.267 18299 2470 1 7 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.478 0.908 18299 2471 1 7 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.082 0.411 18299 2472 1 7 . 1 1 37 37 ASN N N 37 110.308 110.308 112.075 -1.767 18299 2473 1 7 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.719 0.180 18299 2474 1 7 . 1 1 37 37 ASN C C 37 172.880 172.880 174.501 -1.621 18299 2475 1 7 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.733 -0.125 18299 2476 1 7 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.693 -1.147 18299 2477 1 7 . 1 1 37 37 ASN H H 37 7.255 7.255 7.582 -0.327 18299 2478 1 7 . 1 1 38 38 LYS N N 38 119.648 119.648 117.468 2.180 18299 2479 1 7 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.924 -0.092 18299 2480 1 7 . 1 1 38 38 LYS C C 38 175.375 175.375 174.780 0.595 18299 2481 1 7 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.375 0.853 18299 2482 1 7 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.647 -0.195 18299 2483 1 7 . 1 1 38 38 LYS H H 38 8.328 8.328 7.953 0.375 18299 2484 1 7 . 1 1 39 39 LYS N N 39 116.950 116.950 116.272 0.678 18299 2485 1 7 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.691 0.963 18299 2486 1 7 . 1 1 39 39 LYS C C 39 174.797 174.797 174.474 0.323 18299 2487 1 7 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.517 0.387 18299 2488 1 7 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.124 0.495 18299 2489 1 7 . 1 1 39 39 LYS H H 39 8.203 8.203 7.494 0.709 18299 2490 1 7 . 1 1 40 40 VAL N N 40 121.279 121.279 119.889 1.390 18299 2491 1 7 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.882 0.092 18299 2492 1 7 . 1 1 40 40 VAL C C 40 173.992 173.992 174.717 -0.725 18299 2493 1 7 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.352 -0.661 18299 2494 1 7 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.389 1.428 18299 2495 1 7 . 1 1 40 40 VAL H H 40 9.115 9.115 8.102 1.013 18299 2496 1 7 . 1 1 41 41 CYS N N 41 126.779 126.779 126.767 0.012 18299 2497 1 7 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.874 0.761 18299 2498 1 7 . 1 1 41 41 CYS C C 41 174.839 174.839 173.727 1.112 18299 2499 1 7 . 1 1 41 41 CYS CA C 41 56.971 56.971 58.531 -1.560 18299 2500 1 7 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.236 0.903 18299 2501 1 7 . 1 1 41 41 CYS H H 41 8.767 8.767 8.363 0.404 18299 2502 1 7 . 1 1 42 42 ILE N N 42 125.941 125.941 125.738 0.203 18299 2503 1 7 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.917 0.062 18299 2504 1 7 . 1 1 42 42 ILE C C 42 174.113 174.113 173.341 0.772 18299 2505 1 7 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.098 2.131 18299 2506 1 7 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.161 0.278 18299 2507 1 7 . 1 1 42 42 ILE H H 42 9.697 9.697 8.744 0.953 18299 2508 1 7 . 1 1 43 43 GLU N N 43 130.488 130.488 128.807 1.681 18299 2509 1 7 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.830 0.626 18299 2510 1 7 . 1 1 43 43 GLU C C 43 176.185 176.185 174.724 1.461 18299 2511 1 7 . 1 1 43 43 GLU CA C 43 54.885 54.885 54.986 -0.101 18299 2512 1 7 . 1 1 43 43 GLU CB C 43 32.026 32.026 30.950 1.076 18299 2513 1 7 . 1 1 43 43 GLU H H 43 9.510 9.510 8.371 1.139 18299 2514 1 7 . 1 1 44 44 SER N N 44 119.391 119.391 118.368 1.023 18299 2515 1 7 . 1 1 44 44 SER HA H 44 4.868 4.868 4.614 0.254 18299 2516 1 7 . 1 1 44 44 SER C C 44 173.026 173.026 173.945 -0.919 18299 2517 1 7 . 1 1 44 44 SER CA C 44 59.104 59.104 56.056 3.047 18299 2518 1 7 . 1 1 44 44 SER CB C 44 66.159 66.159 65.959 0.200 18299 2519 1 7 . 1 1 44 44 SER H H 44 8.681 8.681 8.410 0.271 18299 2520 1 7 . 1 1 45 45 GLU N N 45 121.420 121.420 122.117 -0.697 18299 2521 1 7 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.057 0.497 18299 2522 1 7 . 1 1 45 45 GLU C C 45 177.473 177.473 177.464 0.009 18299 2523 1 7 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.603 -2.396 18299 2524 1 7 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.788 0.063 18299 2525 1 7 . 1 1 45 45 GLU H H 45 9.026 9.026 8.607 0.419 18299 2526 1 7 . 1 1 46 46 HIS N N 46 119.653 119.653 118.272 1.381 18299 2527 1 7 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.681 -0.038 18299 2528 1 7 . 1 1 46 46 HIS C C 46 175.514 175.514 174.863 0.651 18299 2529 1 7 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.901 1.014 18299 2530 1 7 . 1 1 46 46 HIS CB C 46 31.725 31.725 29.732 1.993 18299 2531 1 7 . 1 1 46 46 HIS H H 46 8.423 8.423 7.470 0.953 18299 2532 1 7 . 1 1 47 47 SER N N 47 116.562 116.562 115.976 0.586 18299 2533 1 7 . 1 1 47 47 SER HA H 47 4.349 4.349 4.299 0.050 18299 2534 1 7 . 1 1 47 47 SER C C 47 174.638 174.638 173.368 1.270 18299 2535 1 7 . 1 1 47 47 SER CA C 47 57.438 57.438 58.500 -1.062 18299 2536 1 7 . 1 1 47 47 SER CB C 47 65.022 65.022 63.303 1.719 18299 2537 1 7 . 1 1 47 47 SER H H 47 9.093 9.093 8.099 0.994 18299 2538 1 7 . 1 1 48 48 MET N N 48 121.402 121.402 120.964 0.438 18299 2539 1 7 . 1 1 48 48 MET HA H 48 3.412 3.412 4.306 -0.894 18299 2540 1 7 . 1 1 48 48 MET C C 48 177.797 177.797 173.942 3.855 18299 2541 1 7 . 1 1 48 48 MET CA C 48 60.298 60.298 56.440 3.858 18299 2542 1 7 . 1 1 48 48 MET CB C 48 30.776 30.776 32.454 -1.678 18299 2543 1 7 . 1 1 48 48 MET H H 48 8.920 8.920 8.564 0.356 18299 2544 1 7 . 1 1 49 49 ASP N N 49 116.251 116.251 117.598 -1.347 18299 2545 1 7 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.592 -0.390 18299 2546 1 7 . 1 1 49 49 ASP C C 49 179.291 179.291 176.790 2.501 18299 2547 1 7 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.824 1.731 18299 2548 1 7 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.352 0.500 18299 2549 1 7 . 1 1 49 49 ASP H H 49 8.345 8.345 8.117 0.228 18299 2550 1 7 . 1 1 50 50 THR N N 50 120.023 120.023 116.700 3.323 18299 2551 1 7 . 1 1 50 50 THR HA H 50 4.305 4.305 4.150 0.155 18299 2552 1 7 . 1 1 50 50 THR C C 50 177.416 177.416 176.070 1.346 18299 2553 1 7 . 1 1 50 50 THR CA C 50 66.392 66.392 64.323 2.069 18299 2554 1 7 . 1 1 50 50 THR CB C 50 68.452 68.452 68.486 -0.034 18299 2555 1 7 . 1 1 50 50 THR H H 50 8.019 8.019 8.473 -0.454 18299 2556 1 7 . 1 1 51 51 LEU N N 51 124.562 124.562 120.086 4.476 18299 2557 1 7 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.917 -0.408 18299 2558 1 7 . 1 1 51 51 LEU C C 51 177.386 177.386 178.494 -1.108 18299 2559 1 7 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.245 0.218 18299 2560 1 7 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.320 2.048 18299 2561 1 7 . 1 1 51 51 LEU H H 51 8.043 8.043 8.000 0.043 18299 2562 1 7 . 1 1 52 52 LEU N N 52 120.718 120.718 116.808 3.910 18299 2563 1 7 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.063 -0.517 18299 2564 1 7 . 1 1 52 52 LEU C C 52 178.065 178.065 178.941 -0.876 18299 2565 1 7 . 1 1 52 52 LEU CA C 52 58.471 58.471 58.082 0.389 18299 2566 1 7 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.338 2.363 18299 2567 1 7 . 1 1 52 52 LEU H H 52 8.993 8.993 7.591 1.402 18299 2568 1 7 . 1 1 53 53 ALA N N 53 118.641 118.641 121.541 -2.900 18299 2569 1 7 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.945 -0.032 18299 2570 1 7 . 1 1 53 53 ALA C C 53 180.677 180.677 179.908 0.769 18299 2571 1 7 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.138 -0.103 18299 2572 1 7 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.007 0.162 18299 2573 1 7 . 1 1 53 53 ALA H H 53 7.859 7.859 7.735 0.124 18299 2574 1 7 . 1 1 54 54 THR N N 54 114.407 114.407 115.599 -1.192 18299 2575 1 7 . 1 1 54 54 THR HA H 54 3.662 3.662 4.033 -0.371 18299 2576 1 7 . 1 1 54 54 THR C C 54 175.694 175.694 176.514 -0.820 18299 2577 1 7 . 1 1 54 54 THR CA C 54 67.449 67.449 67.052 0.397 18299 2578 1 7 . 1 1 54 54 THR CB C 54 68.226 68.226 69.004 -0.778 18299 2579 1 7 . 1 1 54 54 THR H H 54 7.688 7.688 7.508 0.180 18299 2580 1 7 . 1 1 55 55 LEU N N 55 119.491 119.491 121.178 -1.687 18299 2581 1 7 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.085 -0.283 18299 2582 1 7 . 1 1 55 55 LEU C C 55 179.660 179.660 178.683 0.977 18299 2583 1 7 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.474 0.377 18299 2584 1 7 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.605 1.402 18299 2585 1 7 . 1 1 55 55 LEU H H 55 8.104 8.104 8.479 -0.375 18299 2586 1 7 . 1 1 56 56 LYS N N 56 119.317 119.317 118.330 0.987 18299 2587 1 7 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.114 -0.145 18299 2588 1 7 . 1 1 56 56 LYS C C 56 179.227 179.227 179.482 -0.255 18299 2589 1 7 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.741 1.035 18299 2590 1 7 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.176 0.046 18299 2591 1 7 . 1 1 56 56 LYS H H 56 8.333 8.333 8.363 -0.030 18299 2592 1 7 . 1 1 57 57 LYS N N 57 120.188 120.188 120.319 -0.131 18299 2593 1 7 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.070 0.092 18299 2594 1 7 . 1 1 57 57 LYS C C 57 178.128 178.128 177.751 0.377 18299 2595 1 7 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.932 0.151 18299 2596 1 7 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.048 0.404 18299 2597 1 7 . 1 1 57 57 LYS H H 57 7.646 7.646 7.600 0.046 18299 2598 1 7 . 1 1 58 58 THR N N 58 106.563 106.563 109.587 -3.024 18299 2599 1 7 . 1 1 58 58 THR HA H 58 4.277 4.277 4.370 -0.093 18299 2600 1 7 . 1 1 58 58 THR C C 58 175.933 175.933 174.720 1.213 18299 2601 1 7 . 1 1 58 58 THR CA C 58 63.742 63.742 62.270 1.472 18299 2602 1 7 . 1 1 58 58 THR CB C 58 71.108 71.108 69.609 1.499 18299 2603 1 7 . 1 1 58 58 THR H H 58 7.483 7.483 7.816 -0.333 18299 2604 1 7 . 1 1 59 59 GLY N N 59 108.569 108.569 109.481 -0.912 18299 2605 1 7 . 1 1 59 59 GLY C C 59 173.171 173.171 174.265 -1.094 18299 2606 1 7 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.181 -0.190 18299 2607 1 7 . 1 1 59 59 GLY H H 59 7.774 7.774 7.918 -0.144 18299 2608 1 7 . 1 1 60 60 ALA N N 60 122.420 122.420 123.641 -1.221 18299 2609 1 7 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.480 0.026 18299 2610 1 7 . 1 1 60 60 ALA C C 60 177.155 177.155 176.986 0.169 18299 2611 1 7 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.630 -0.575 18299 2612 1 7 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.930 0.378 18299 2613 1 7 . 1 1 60 60 ALA H H 60 7.524 7.524 7.316 0.208 18299 2614 1 7 . 1 1 61 61 THR N N 61 117.690 117.690 117.438 0.252 18299 2615 1 7 . 1 1 61 61 THR HA H 61 4.321 4.321 4.159 0.162 18299 2616 1 7 . 1 1 61 61 THR C C 61 174.635 174.635 173.841 0.794 18299 2617 1 7 . 1 1 61 61 THR CA C 61 63.922 63.922 63.717 0.205 18299 2618 1 7 . 1 1 61 61 THR CB C 61 68.904 68.904 69.386 -0.482 18299 2619 1 7 . 1 1 61 61 THR H H 61 8.491 8.491 8.289 0.202 18299 2620 1 7 . 1 1 62 62 VAL N N 62 129.030 129.030 124.492 4.538 18299 2621 1 7 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.458 0.856 18299 2622 1 7 . 1 1 62 62 VAL C C 62 174.947 174.947 175.375 -0.428 18299 2623 1 7 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.544 -1.229 18299 2624 1 7 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.764 0.900 18299 2625 1 7 . 1 1 62 62 VAL H H 62 8.709 8.709 8.162 0.547 18299 2626 1 7 . 1 1 63 63 SER N N 63 119.588 119.588 122.895 -3.307 18299 2627 1 7 . 1 1 63 63 SER HA H 63 4.865 4.865 4.751 0.114 18299 2628 1 7 . 1 1 63 63 SER C C 63 173.019 173.019 172.233 0.786 18299 2629 1 7 . 1 1 63 63 SER CA C 63 57.347 57.347 56.713 0.634 18299 2630 1 7 . 1 1 63 63 SER CB C 63 65.605 65.605 65.400 0.205 18299 2631 1 7 . 1 1 63 63 SER H H 63 8.988 8.988 8.582 0.406 18299 2632 1 7 . 1 1 64 64 TYR N N 64 125.400 125.400 125.396 0.004 18299 2633 1 7 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.626 0.953 18299 2634 1 7 . 1 1 64 64 TYR C C 64 175.523 175.523 174.468 1.055 18299 2635 1 7 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.538 0.916 18299 2636 1 7 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.489 0.533 18299 2637 1 7 . 1 1 64 64 TYR H H 64 9.391 9.391 8.543 0.848 18299 2638 1 7 . 1 1 65 65 LEU N N 65 128.500 128.500 124.520 3.980 18299 2639 1 7 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.428 -0.109 18299 2640 1 7 . 1 1 65 65 LEU C C 65 176.473 176.473 177.221 -0.748 18299 2641 1 7 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.161 -0.484 18299 2642 1 7 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.712 -0.654 18299 2643 1 7 . 1 1 65 65 LEU H H 65 8.304 8.304 8.460 -0.156 18299 2644 1 7 . 1 1 66 66 GLY N N 66 105.737 105.737 105.471 0.266 18299 2645 1 7 . 1 1 66 66 GLY C C 66 171.330 171.330 172.354 -1.024 18299 2646 1 7 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.892 0.144 18299 2647 1 7 . 1 1 66 66 GLY H H 66 5.977 5.977 7.919 -1.942 18299 2648 1 7 . 1 1 67 67 LEU N N 67 120.133 120.133 121.089 -0.956 18299 2649 1 7 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.358 0.424 18299 2650 1 7 . 1 1 67 67 LEU C C 67 177.339 177.339 176.682 0.657 18299 2651 1 7 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.737 -0.361 18299 2652 1 7 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.900 -0.019 18299 2653 1 7 . 1 1 67 67 LEU H H 67 7.947 7.947 8.603 -0.656 18299 2654 1 8 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.430 -0.177 18299 2655 1 8 . 1 1 2 2 PRO C C 2 174.299 174.299 175.579 -1.280 18299 2656 1 8 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.949 0.386 18299 2657 1 8 . 1 1 2 2 PRO CB C 2 32.633 32.633 31.957 0.676 18299 2658 1 8 . 1 1 3 3 LYS N N 3 121.020 121.020 121.462 -0.442 18299 2659 1 8 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.425 0.509 18299 2660 1 8 . 1 1 3 3 LYS C C 3 175.055 175.055 175.402 -0.347 18299 2661 1 8 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.953 -1.059 18299 2662 1 8 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.299 0.083 18299 2663 1 8 . 1 1 3 3 LYS H H 3 8.038 8.038 8.166 -0.128 18299 2664 1 8 . 1 1 4 4 HIS N N 4 122.815 122.815 122.639 0.176 18299 2665 1 8 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.014 -0.055 18299 2666 1 8 . 1 1 4 4 HIS C C 4 174.771 174.771 173.760 1.011 18299 2667 1 8 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.535 1.507 18299 2668 1 8 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.106 2.138 18299 2669 1 8 . 1 1 4 4 HIS H H 4 8.908 8.908 8.609 0.299 18299 2670 1 8 . 1 1 5 5 GLU N N 5 122.404 122.404 126.459 -4.055 18299 2671 1 8 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.718 0.575 18299 2672 1 8 . 1 1 5 5 GLU C C 5 174.389 174.389 174.974 -0.585 18299 2673 1 8 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.842 0.006 18299 2674 1 8 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.021 0.721 18299 2675 1 8 . 1 1 5 5 GLU H H 5 8.951 8.951 8.676 0.275 18299 2676 1 8 . 1 1 6 6 PHE N N 6 119.234 119.234 124.354 -5.120 18299 2677 1 8 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.076 0.109 18299 2678 1 8 . 1 1 6 6 PHE C C 6 175.130 175.130 174.026 1.104 18299 2679 1 8 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.335 0.411 18299 2680 1 8 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.831 -1.149 18299 2681 1 8 . 1 1 6 6 PHE H H 6 9.075 9.075 9.177 -0.102 18299 2682 1 8 . 1 1 7 7 SER N N 7 118.028 118.028 119.704 -1.676 18299 2683 1 8 . 1 1 7 7 SER HA H 7 5.322 5.322 4.835 0.487 18299 2684 1 8 . 1 1 7 7 SER C C 7 174.651 174.651 172.766 1.885 18299 2685 1 8 . 1 1 7 7 SER CA C 7 56.636 56.636 57.389 -0.753 18299 2686 1 8 . 1 1 7 7 SER CB C 7 63.983 63.983 63.740 0.242 18299 2687 1 8 . 1 1 7 7 SER H H 7 9.346 9.346 9.005 0.341 18299 2688 1 8 . 1 1 8 8 VAL N N 8 125.476 125.476 125.580 -0.104 18299 2689 1 8 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.943 -0.260 18299 2690 1 8 . 1 1 8 8 VAL C C 8 174.360 174.360 174.366 -0.006 18299 2691 1 8 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.998 1.022 18299 2692 1 8 . 1 1 8 8 VAL CB C 8 35.221 35.221 34.553 0.668 18299 2693 1 8 . 1 1 8 8 VAL H H 8 8.129 8.129 8.370 -0.241 18299 2694 1 8 . 1 1 9 9 ASP N N 9 124.989 124.989 130.282 -5.293 18299 2695 1 8 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.696 0.000 18299 2696 1 8 . 1 1 9 9 ASP C C 9 175.278 175.278 175.595 -0.317 18299 2697 1 8 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.884 -0.873 18299 2698 1 8 . 1 1 9 9 ASP CB C 9 40.521 40.521 42.076 -1.555 18299 2699 1 8 . 1 1 9 9 ASP H H 9 8.285 8.285 8.113 0.172 18299 2700 1 8 . 1 1 10 10 MET N N 10 125.927 125.927 123.866 2.061 18299 2701 1 8 . 1 1 10 10 MET HA H 10 4.712 4.712 4.446 0.266 18299 2702 1 8 . 1 1 10 10 MET C C 10 175.748 175.748 176.508 -0.760 18299 2703 1 8 . 1 1 10 10 MET CA C 10 54.825 54.825 57.202 -2.377 18299 2704 1 8 . 1 1 10 10 MET CB C 10 34.030 34.030 32.842 1.188 18299 2705 1 8 . 1 1 10 10 MET H H 10 8.096 8.096 8.709 -0.613 18299 2706 1 8 . 1 1 11 11 THR N N 11 116.339 116.339 116.951 -0.612 18299 2707 1 8 . 1 1 11 11 THR HA H 11 4.326 4.326 4.419 -0.093 18299 2708 1 8 . 1 1 11 11 THR C C 11 174.832 174.832 175.274 -0.442 18299 2709 1 8 . 1 1 11 11 THR CA C 11 63.908 63.908 62.857 1.051 18299 2710 1 8 . 1 1 11 11 THR CB C 11 69.529 69.529 69.379 0.150 18299 2711 1 8 . 1 1 11 11 THR H H 11 8.886 8.886 8.711 0.175 18299 2712 1 8 . 1 1 12 12 CYS N N 12 117.534 117.534 122.111 -4.577 18299 2713 1 8 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.756 0.039 18299 2714 1 8 . 1 1 12 12 CYS C C 12 174.892 174.892 177.006 -2.114 18299 2715 1 8 . 1 1 12 12 CYS CA C 12 57.615 57.615 57.509 0.106 18299 2716 1 8 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.649 1.832 18299 2717 1 8 . 1 1 12 12 CYS H H 12 8.183 8.183 8.115 0.068 18299 2718 1 8 . 1 1 13 13 GLY N N 13 110.516 110.516 111.354 -0.838 18299 2719 1 8 . 1 1 13 13 GLY C C 13 175.328 175.328 176.255 -0.927 18299 2720 1 8 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.794 -1.213 18299 2721 1 8 . 1 1 13 13 GLY H H 13 8.737 8.737 8.373 0.364 18299 2722 1 8 . 1 1 14 14 GLY N N 14 110.521 110.521 108.463 2.058 18299 2723 1 8 . 1 1 14 14 GLY C C 14 175.741 175.741 175.807 -0.066 18299 2724 1 8 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.884 -0.878 18299 2725 1 8 . 1 1 14 14 GLY H H 14 8.677 8.677 8.341 0.336 18299 2726 1 8 . 1 1 15 15 CYS N N 15 121.304 121.304 120.406 0.898 18299 2727 1 8 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.493 -0.130 18299 2728 1 8 . 1 1 15 15 CYS C C 15 176.557 176.557 176.532 0.025 18299 2729 1 8 . 1 1 15 15 CYS CA C 15 61.356 61.356 59.549 1.807 18299 2730 1 8 . 1 1 15 15 CYS CB C 15 28.522 28.522 26.891 1.631 18299 2731 1 8 . 1 1 15 15 CYS H H 15 7.853 7.853 8.321 -0.468 18299 2732 1 8 . 1 1 16 16 ALA N N 16 121.907 121.907 122.565 -0.658 18299 2733 1 8 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.103 -0.081 18299 2734 1 8 . 1 1 16 16 ALA C C 16 180.089 180.089 179.059 1.030 18299 2735 1 8 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.049 0.745 18299 2736 1 8 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.083 0.199 18299 2737 1 8 . 1 1 16 16 ALA H H 16 8.196 8.196 8.626 -0.430 18299 2738 1 8 . 1 1 17 17 GLU N N 17 118.976 118.976 119.208 -0.232 18299 2739 1 8 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.071 -0.006 18299 2740 1 8 . 1 1 17 17 GLU C C 17 178.541 178.541 178.902 -0.361 18299 2741 1 8 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.263 0.417 18299 2742 1 8 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.468 -0.287 18299 2743 1 8 . 1 1 17 17 GLU H H 17 8.518 8.518 7.875 0.643 18299 2744 1 8 . 1 1 18 18 ALA N N 18 122.909 122.909 122.581 0.328 18299 2745 1 8 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.209 -0.120 18299 2746 1 8 . 1 1 18 18 ALA C C 18 179.665 179.665 179.597 0.068 18299 2747 1 8 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.592 0.492 18299 2748 1 8 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.368 -0.223 18299 2749 1 8 . 1 1 18 18 ALA H H 18 7.863 7.863 7.662 0.201 18299 2750 1 8 . 1 1 19 19 VAL N N 19 118.050 118.050 118.654 -0.604 18299 2751 1 8 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.487 -0.190 18299 2752 1 8 . 1 1 19 19 VAL C C 19 176.602 176.602 177.870 -1.268 18299 2753 1 8 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.153 0.148 18299 2754 1 8 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.680 -0.209 18299 2755 1 8 . 1 1 19 19 VAL H H 19 7.989 7.989 7.965 0.024 18299 2756 1 8 . 1 1 20 20 SER N N 20 113.425 113.425 115.175 -1.750 18299 2757 1 8 . 1 1 20 20 SER HA H 20 4.086 4.086 4.220 -0.134 18299 2758 1 8 . 1 1 20 20 SER C C 20 175.600 175.600 176.856 -1.256 18299 2759 1 8 . 1 1 20 20 SER CA C 20 62.064 62.064 61.942 0.122 18299 2760 1 8 . 1 1 20 20 SER CB C 20 62.443 62.443 62.788 -0.345 18299 2761 1 8 . 1 1 20 20 SER H H 20 7.808 7.808 7.896 -0.088 18299 2762 1 8 . 1 1 21 21 ARG N N 21 119.858 119.858 122.220 -2.362 18299 2763 1 8 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.959 0.045 18299 2764 1 8 . 1 1 21 21 ARG C C 21 180.231 180.231 178.298 1.933 18299 2765 1 8 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.025 1.045 18299 2766 1 8 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.922 0.554 18299 2767 1 8 . 1 1 21 21 ARG H H 21 8.086 8.086 7.400 0.686 18299 2768 1 8 . 1 1 22 22 VAL N N 22 112.224 112.224 119.188 -6.964 18299 2769 1 8 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.711 0.311 18299 2770 1 8 . 1 1 22 22 VAL C C 22 179.211 179.211 177.426 1.785 18299 2771 1 8 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.439 -0.493 18299 2772 1 8 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.823 -0.160 18299 2773 1 8 . 1 1 22 22 VAL H H 22 7.943 7.943 7.476 0.467 18299 2774 1 8 . 1 1 23 23 LEU N N 23 122.146 122.146 121.936 0.210 18299 2775 1 8 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.041 -0.055 18299 2776 1 8 . 1 1 23 23 LEU C C 23 178.347 178.347 178.105 0.242 18299 2777 1 8 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.575 -0.326 18299 2778 1 8 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.341 -0.491 18299 2779 1 8 . 1 1 23 23 LEU H H 23 7.692 7.692 7.847 -0.155 18299 2780 1 8 . 1 1 24 24 ASN N N 24 118.578 118.578 116.709 1.869 18299 2781 1 8 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.318 0.211 18299 2782 1 8 . 1 1 24 24 ASN C C 24 178.060 178.060 176.375 1.685 18299 2783 1 8 . 1 1 24 24 ASN CA C 24 55.606 55.606 55.642 -0.036 18299 2784 1 8 . 1 1 24 24 ASN CB C 24 37.192 37.192 37.668 -0.476 18299 2785 1 8 . 1 1 24 24 ASN H H 24 8.683 8.683 7.935 0.748 18299 2786 1 8 . 1 1 25 25 LYS N N 25 118.395 118.395 118.090 0.305 18299 2787 1 8 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.058 0.006 18299 2788 1 8 . 1 1 25 25 LYS C C 25 177.770 177.770 178.499 -0.729 18299 2789 1 8 . 1 1 25 25 LYS CA C 25 58.245 58.245 57.797 0.448 18299 2790 1 8 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.235 -0.049 18299 2791 1 8 . 1 1 25 25 LYS H H 25 7.469 7.469 7.483 -0.014 18299 2792 1 8 . 1 1 26 26 LEU N N 26 121.105 121.105 118.523 2.582 18299 2793 1 8 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.219 -0.128 18299 2794 1 8 . 1 1 26 26 LEU C C 26 178.609 178.609 178.203 0.406 18299 2795 1 8 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.420 1.321 18299 2796 1 8 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.074 0.117 18299 2797 1 8 . 1 1 26 26 LEU H H 26 7.209 7.209 7.551 -0.342 18299 2798 1 8 . 1 1 27 27 GLY N N 27 104.036 104.036 104.599 -0.563 18299 2799 1 8 . 1 1 27 27 GLY C C 27 173.508 173.508 175.124 -1.616 18299 2800 1 8 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.018 -0.785 18299 2801 1 8 . 1 1 27 27 GLY H H 27 7.691 7.691 8.382 -0.691 18299 2802 1 8 . 1 1 28 28 GLY N N 28 106.538 106.538 109.146 -2.608 18299 2803 1 8 . 1 1 28 28 GLY C C 28 175.737 175.737 174.079 1.658 18299 2804 1 8 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.830 1.788 18299 2805 1 8 . 1 1 28 28 GLY H H 28 8.603 8.603 7.678 0.925 18299 2806 1 8 . 1 1 29 29 VAL N N 29 112.116 112.116 115.133 -3.017 18299 2807 1 8 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.549 0.400 18299 2808 1 8 . 1 1 29 29 VAL C C 29 174.487 174.487 175.326 -0.839 18299 2809 1 8 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.569 0.169 18299 2810 1 8 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.233 2.281 18299 2811 1 8 . 1 1 29 29 VAL H H 29 7.974 7.974 7.445 0.529 18299 2812 1 8 . 1 1 30 30 LYS N N 30 124.568 124.568 121.909 2.659 18299 2813 1 8 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.374 0.274 18299 2814 1 8 . 1 1 30 30 LYS C C 30 174.964 174.964 175.491 -0.527 18299 2815 1 8 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.464 -1.461 18299 2816 1 8 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.789 1.850 18299 2817 1 8 . 1 1 30 30 LYS H H 30 8.370 8.370 8.656 -0.286 18299 2818 1 8 . 1 1 31 31 TYR N N 31 121.504 121.504 120.372 1.132 18299 2819 1 8 . 1 1 31 31 TYR HA H 31 5.984 5.984 4.915 1.069 18299 2820 1 8 . 1 1 31 31 TYR C C 31 172.758 172.758 173.329 -0.571 18299 2821 1 8 . 1 1 31 31 TYR CA C 31 55.124 55.124 54.530 0.594 18299 2822 1 8 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.542 1.239 18299 2823 1 8 . 1 1 31 31 TYR H H 31 8.531 8.531 8.439 0.092 18299 2824 1 8 . 1 1 32 32 ASP N N 32 119.262 119.262 119.969 -0.707 18299 2825 1 8 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.298 0.694 18299 2826 1 8 . 1 1 32 32 ASP C C 32 174.839 174.839 173.711 1.128 18299 2827 1 8 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.203 0.080 18299 2828 1 8 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.150 0.701 18299 2829 1 8 . 1 1 32 32 ASP H H 32 8.750 8.750 8.241 0.509 18299 2830 1 8 . 1 1 33 33 ILE N N 33 124.951 124.951 120.651 4.300 18299 2831 1 8 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.328 0.031 18299 2832 1 8 . 1 1 33 33 ILE C C 33 173.855 173.855 175.197 -1.342 18299 2833 1 8 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.467 1.465 18299 2834 1 8 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.275 0.359 18299 2835 1 8 . 1 1 33 33 ILE H H 33 9.001 9.001 8.234 0.767 18299 2836 1 8 . 1 1 34 34 ASP N N 34 130.202 130.202 128.858 1.344 18299 2837 1 8 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.934 0.041 18299 2838 1 8 . 1 1 34 34 ASP C C 34 175.761 175.761 175.881 -0.120 18299 2839 1 8 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.564 -1.755 18299 2840 1 8 . 1 1 34 34 ASP CB C 34 41.241 41.241 42.351 -1.110 18299 2841 1 8 . 1 1 34 34 ASP H H 34 9.033 9.033 8.174 0.859 18299 2842 1 8 . 1 1 35 35 LEU N N 35 123.830 123.830 126.722 -2.892 18299 2843 1 8 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.283 0.027 18299 2844 1 8 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.489 0.373 18299 2845 1 8 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.333 -0.981 18299 2846 1 8 . 1 1 35 35 LEU H H 35 8.888 8.888 8.742 0.146 18299 2847 1 8 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.226 0.070 18299 2848 1 8 . 1 1 36 36 PRO C C 36 177.959 177.959 177.388 0.571 18299 2849 1 8 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.455 0.931 18299 2850 1 8 . 1 1 36 36 PRO CB C 36 31.493 31.493 30.987 0.506 18299 2851 1 8 . 1 1 37 37 ASN N N 37 110.308 110.308 112.677 -2.369 18299 2852 1 8 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.755 0.144 18299 2853 1 8 . 1 1 37 37 ASN C C 37 172.880 172.880 174.202 -1.322 18299 2854 1 8 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.922 -0.314 18299 2855 1 8 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.589 -1.044 18299 2856 1 8 . 1 1 37 37 ASN H H 37 7.255 7.255 7.670 -0.415 18299 2857 1 8 . 1 1 38 38 LYS N N 38 119.648 119.648 117.268 2.380 18299 2858 1 8 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.893 -0.061 18299 2859 1 8 . 1 1 38 38 LYS C C 38 175.375 175.375 174.967 0.408 18299 2860 1 8 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.346 0.882 18299 2861 1 8 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.478 -0.026 18299 2862 1 8 . 1 1 38 38 LYS H H 38 8.328 8.328 8.093 0.235 18299 2863 1 8 . 1 1 39 39 LYS N N 39 116.950 116.950 115.840 1.110 18299 2864 1 8 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.680 0.974 18299 2865 1 8 . 1 1 39 39 LYS C C 39 174.797 174.797 174.232 0.565 18299 2866 1 8 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.966 -0.062 18299 2867 1 8 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.583 0.036 18299 2868 1 8 . 1 1 39 39 LYS H H 39 8.203 8.203 7.533 0.670 18299 2869 1 8 . 1 1 40 40 VAL N N 40 121.279 121.279 119.306 1.973 18299 2870 1 8 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.641 0.333 18299 2871 1 8 . 1 1 40 40 VAL C C 40 173.992 173.992 174.220 -0.228 18299 2872 1 8 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.656 0.035 18299 2873 1 8 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.518 1.299 18299 2874 1 8 . 1 1 40 40 VAL H H 40 9.115 9.115 8.701 0.414 18299 2875 1 8 . 1 1 41 41 CYS N N 41 126.779 126.779 127.729 -0.950 18299 2876 1 8 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.264 0.371 18299 2877 1 8 . 1 1 41 41 CYS C C 41 174.839 174.839 173.126 1.713 18299 2878 1 8 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.350 -0.379 18299 2879 1 8 . 1 1 41 41 CYS CB C 41 29.139 29.139 29.317 -0.178 18299 2880 1 8 . 1 1 41 41 CYS H H 41 8.767 8.767 9.050 -0.283 18299 2881 1 8 . 1 1 42 42 ILE N N 42 125.941 125.941 127.569 -1.628 18299 2882 1 8 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.780 0.199 18299 2883 1 8 . 1 1 42 42 ILE C C 42 174.113 174.113 173.269 0.844 18299 2884 1 8 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.414 1.815 18299 2885 1 8 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.195 0.244 18299 2886 1 8 . 1 1 42 42 ILE H H 42 9.697 9.697 8.896 0.801 18299 2887 1 8 . 1 1 43 43 GLU N N 43 130.488 130.488 129.557 0.931 18299 2888 1 8 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.670 0.786 18299 2889 1 8 . 1 1 43 43 GLU C C 43 176.185 176.185 174.510 1.675 18299 2890 1 8 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.352 -0.467 18299 2891 1 8 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.668 0.358 18299 2892 1 8 . 1 1 43 43 GLU H H 43 9.510 9.510 8.574 0.936 18299 2893 1 8 . 1 1 44 44 SER N N 44 119.391 119.391 119.541 -0.150 18299 2894 1 8 . 1 1 44 44 SER HA H 44 4.868 4.868 4.675 0.193 18299 2895 1 8 . 1 1 44 44 SER C C 44 173.026 173.026 173.903 -0.877 18299 2896 1 8 . 1 1 44 44 SER CA C 44 59.104 59.104 57.300 1.804 18299 2897 1 8 . 1 1 44 44 SER CB C 44 66.159 66.159 66.274 -0.115 18299 2898 1 8 . 1 1 44 44 SER H H 44 8.681 8.681 8.626 0.055 18299 2899 1 8 . 1 1 45 45 GLU N N 45 121.420 121.420 121.730 -0.310 18299 2900 1 8 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.012 0.542 18299 2901 1 8 . 1 1 45 45 GLU C C 45 177.473 177.473 177.048 0.425 18299 2902 1 8 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.616 -2.409 18299 2903 1 8 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.477 0.373 18299 2904 1 8 . 1 1 45 45 GLU H H 45 9.026 9.026 8.738 0.288 18299 2905 1 8 . 1 1 46 46 HIS N N 46 119.653 119.653 119.059 0.594 18299 2906 1 8 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.508 0.135 18299 2907 1 8 . 1 1 46 46 HIS C C 46 175.514 175.514 175.089 0.425 18299 2908 1 8 . 1 1 46 46 HIS CA C 46 56.915 56.915 58.063 -1.148 18299 2909 1 8 . 1 1 46 46 HIS CB C 46 31.725 31.725 29.689 2.036 18299 2910 1 8 . 1 1 46 46 HIS H H 46 8.423 8.423 8.211 0.212 18299 2911 1 8 . 1 1 47 47 SER N N 47 116.562 116.562 115.380 1.182 18299 2912 1 8 . 1 1 47 47 SER HA H 47 4.349 4.349 4.325 0.024 18299 2913 1 8 . 1 1 47 47 SER C C 47 174.638 174.638 174.024 0.614 18299 2914 1 8 . 1 1 47 47 SER CA C 47 57.438 57.438 58.693 -1.255 18299 2915 1 8 . 1 1 47 47 SER CB C 47 65.022 65.022 62.300 2.723 18299 2916 1 8 . 1 1 47 47 SER H H 47 9.093 9.093 8.650 0.443 18299 2917 1 8 . 1 1 48 48 MET N N 48 121.402 121.402 121.624 -0.222 18299 2918 1 8 . 1 1 48 48 MET HA H 48 3.412 3.412 4.301 -0.889 18299 2919 1 8 . 1 1 48 48 MET C C 48 177.797 177.797 174.220 3.577 18299 2920 1 8 . 1 1 48 48 MET CA C 48 60.298 60.298 56.241 4.057 18299 2921 1 8 . 1 1 48 48 MET CB C 48 30.776 30.776 32.592 -1.816 18299 2922 1 8 . 1 1 48 48 MET H H 48 8.920 8.920 8.512 0.408 18299 2923 1 8 . 1 1 49 49 ASP N N 49 116.251 116.251 116.511 -0.260 18299 2924 1 8 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.598 -0.396 18299 2925 1 8 . 1 1 49 49 ASP C C 49 179.291 179.291 176.638 2.653 18299 2926 1 8 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.714 1.841 18299 2927 1 8 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.388 0.464 18299 2928 1 8 . 1 1 49 49 ASP H H 49 8.345 8.345 8.018 0.327 18299 2929 1 8 . 1 1 50 50 THR N N 50 120.023 120.023 115.894 4.129 18299 2930 1 8 . 1 1 50 50 THR HA H 50 4.305 4.305 4.137 0.168 18299 2931 1 8 . 1 1 50 50 THR C C 50 177.416 177.416 176.126 1.290 18299 2932 1 8 . 1 1 50 50 THR CA C 50 66.392 66.392 64.676 1.716 18299 2933 1 8 . 1 1 50 50 THR CB C 50 68.452 68.452 68.701 -0.249 18299 2934 1 8 . 1 1 50 50 THR H H 50 8.019 8.019 8.208 -0.189 18299 2935 1 8 . 1 1 51 51 LEU N N 51 124.562 124.562 120.756 3.806 18299 2936 1 8 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.965 -0.457 18299 2937 1 8 . 1 1 51 51 LEU C C 51 177.386 177.386 178.865 -1.479 18299 2938 1 8 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.230 0.233 18299 2939 1 8 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.977 2.391 18299 2940 1 8 . 1 1 51 51 LEU H H 51 8.043 8.043 7.645 0.398 18299 2941 1 8 . 1 1 52 52 LEU N N 52 120.718 120.718 116.380 4.338 18299 2942 1 8 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.047 -0.501 18299 2943 1 8 . 1 1 52 52 LEU C C 52 178.065 178.065 178.786 -0.721 18299 2944 1 8 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.851 0.620 18299 2945 1 8 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.417 2.284 18299 2946 1 8 . 1 1 52 52 LEU H H 52 8.993 8.993 7.673 1.320 18299 2947 1 8 . 1 1 53 53 ALA N N 53 118.641 118.641 121.658 -3.017 18299 2948 1 8 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.950 -0.037 18299 2949 1 8 . 1 1 53 53 ALA C C 53 180.677 180.677 179.777 0.900 18299 2950 1 8 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.163 -0.129 18299 2951 1 8 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.094 0.075 18299 2952 1 8 . 1 1 53 53 ALA H H 53 7.859 7.859 7.700 0.159 18299 2953 1 8 . 1 1 54 54 THR N N 54 114.407 114.407 115.047 -0.640 18299 2954 1 8 . 1 1 54 54 THR HA H 54 3.662 3.662 3.969 -0.306 18299 2955 1 8 . 1 1 54 54 THR C C 54 175.694 175.694 176.653 -0.959 18299 2956 1 8 . 1 1 54 54 THR CA C 54 67.449 67.449 66.299 1.149 18299 2957 1 8 . 1 1 54 54 THR CB C 54 68.226 68.226 68.800 -0.574 18299 2958 1 8 . 1 1 54 54 THR H H 54 7.688 7.688 7.554 0.134 18299 2959 1 8 . 1 1 55 55 LEU N N 55 119.491 119.491 121.090 -1.599 18299 2960 1 8 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.008 -0.206 18299 2961 1 8 . 1 1 55 55 LEU C C 55 179.660 179.660 178.733 0.927 18299 2962 1 8 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.677 0.174 18299 2963 1 8 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.909 1.098 18299 2964 1 8 . 1 1 55 55 LEU H H 55 8.104 8.104 8.186 -0.082 18299 2965 1 8 . 1 1 56 56 LYS N N 56 119.317 119.317 117.839 1.478 18299 2966 1 8 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.099 -0.130 18299 2967 1 8 . 1 1 56 56 LYS C C 56 179.227 179.227 179.339 -0.112 18299 2968 1 8 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.586 1.190 18299 2969 1 8 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.191 0.032 18299 2970 1 8 . 1 1 56 56 LYS H H 56 8.333 8.333 8.393 -0.060 18299 2971 1 8 . 1 1 57 57 LYS N N 57 120.188 120.188 119.280 0.908 18299 2972 1 8 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.026 0.136 18299 2973 1 8 . 1 1 57 57 LYS C C 57 178.128 178.128 178.187 -0.059 18299 2974 1 8 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.179 -0.096 18299 2975 1 8 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.936 0.516 18299 2976 1 8 . 1 1 57 57 LYS H H 57 7.646 7.646 7.543 0.103 18299 2977 1 8 . 1 1 58 58 THR N N 58 106.563 106.563 108.839 -2.276 18299 2978 1 8 . 1 1 58 58 THR HA H 58 4.277 4.277 4.403 -0.126 18299 2979 1 8 . 1 1 58 58 THR C C 58 175.933 175.933 175.657 0.276 18299 2980 1 8 . 1 1 58 58 THR CA C 58 63.742 63.742 62.438 1.304 18299 2981 1 8 . 1 1 58 58 THR CB C 58 71.108 71.108 69.734 1.374 18299 2982 1 8 . 1 1 58 58 THR H H 58 7.483 7.483 7.757 -0.274 18299 2983 1 8 . 1 1 59 59 GLY N N 59 108.569 108.569 110.236 -1.667 18299 2984 1 8 . 1 1 59 59 GLY C C 59 173.171 173.171 174.022 -0.851 18299 2985 1 8 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.883 0.108 18299 2986 1 8 . 1 1 59 59 GLY H H 59 7.774 7.774 8.008 -0.234 18299 2987 1 8 . 1 1 60 60 ALA N N 60 122.420 122.420 122.534 -0.114 18299 2988 1 8 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.372 0.134 18299 2989 1 8 . 1 1 60 60 ALA C C 60 177.155 177.155 177.791 -0.636 18299 2990 1 8 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.725 -0.670 18299 2991 1 8 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.079 0.229 18299 2992 1 8 . 1 1 60 60 ALA H H 60 7.524 7.524 7.460 0.064 18299 2993 1 8 . 1 1 61 61 THR N N 61 117.690 117.690 117.558 0.132 18299 2994 1 8 . 1 1 61 61 THR HA H 61 4.321 4.321 4.185 0.136 18299 2995 1 8 . 1 1 61 61 THR C C 61 174.635 174.635 173.708 0.927 18299 2996 1 8 . 1 1 61 61 THR CA C 61 63.922 63.922 63.290 0.632 18299 2997 1 8 . 1 1 61 61 THR CB C 61 68.904 68.904 68.983 -0.079 18299 2998 1 8 . 1 1 61 61 THR H H 61 8.491 8.491 8.476 0.015 18299 2999 1 8 . 1 1 62 62 VAL N N 62 129.030 129.030 125.749 3.281 18299 3000 1 8 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.281 1.033 18299 3001 1 8 . 1 1 62 62 VAL C C 62 174.947 174.947 175.101 -0.154 18299 3002 1 8 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.713 -1.398 18299 3003 1 8 . 1 1 62 62 VAL CB C 62 35.664 35.664 33.401 2.263 18299 3004 1 8 . 1 1 62 62 VAL H H 62 8.709 8.709 8.324 0.385 18299 3005 1 8 . 1 1 63 63 SER N N 63 119.588 119.588 123.137 -3.549 18299 3006 1 8 . 1 1 63 63 SER HA H 63 4.865 4.865 4.691 0.174 18299 3007 1 8 . 1 1 63 63 SER C C 63 173.019 173.019 172.160 0.859 18299 3008 1 8 . 1 1 63 63 SER CA C 63 57.347 57.347 56.746 0.601 18299 3009 1 8 . 1 1 63 63 SER CB C 63 65.605 65.605 65.137 0.468 18299 3010 1 8 . 1 1 63 63 SER H H 63 8.988 8.988 8.502 0.486 18299 3011 1 8 . 1 1 64 64 TYR N N 64 125.400 125.400 125.451 -0.051 18299 3012 1 8 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.317 1.262 18299 3013 1 8 . 1 1 64 64 TYR C C 64 175.523 175.523 174.024 1.499 18299 3014 1 8 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.231 1.223 18299 3015 1 8 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.443 0.579 18299 3016 1 8 . 1 1 64 64 TYR H H 64 9.391 9.391 8.537 0.854 18299 3017 1 8 . 1 1 65 65 LEU N N 65 128.500 128.500 127.370 1.130 18299 3018 1 8 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.132 0.187 18299 3019 1 8 . 1 1 65 65 LEU C C 65 176.473 176.473 177.490 -1.017 18299 3020 1 8 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.478 -0.801 18299 3021 1 8 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.748 -0.690 18299 3022 1 8 . 1 1 65 65 LEU H H 65 8.304 8.304 8.269 0.035 18299 3023 1 8 . 1 1 66 66 GLY N N 66 105.737 105.737 105.693 0.044 18299 3024 1 8 . 1 1 66 66 GLY C C 66 171.330 171.330 172.338 -1.008 18299 3025 1 8 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.532 0.504 18299 3026 1 8 . 1 1 66 66 GLY H H 66 5.977 5.977 7.847 -1.870 18299 3027 1 8 . 1 1 67 67 LEU N N 67 120.133 120.133 120.809 -0.676 18299 3028 1 8 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.537 0.245 18299 3029 1 8 . 1 1 67 67 LEU C C 67 177.339 177.339 177.726 -0.387 18299 3030 1 8 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.189 0.187 18299 3031 1 8 . 1 1 67 67 LEU CB C 67 43.881 43.881 42.709 1.172 18299 3032 1 8 . 1 1 67 67 LEU H H 67 7.947 7.947 8.476 -0.529 18299 3033 1 9 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.663 -0.410 18299 3034 1 9 . 1 1 2 2 PRO C C 2 174.299 174.299 175.482 -1.183 18299 3035 1 9 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.807 0.528 18299 3036 1 9 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.501 0.132 18299 3037 1 9 . 1 1 3 3 LYS N N 3 121.020 121.020 119.515 1.505 18299 3038 1 9 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.382 0.552 18299 3039 1 9 . 1 1 3 3 LYS C C 3 175.055 175.055 175.632 -0.577 18299 3040 1 9 . 1 1 3 3 LYS CA C 3 54.894 54.894 56.122 -1.228 18299 3041 1 9 . 1 1 3 3 LYS CB C 3 34.382 34.382 33.954 0.428 18299 3042 1 9 . 1 1 3 3 LYS H H 3 8.038 8.038 8.382 -0.344 18299 3043 1 9 . 1 1 4 4 HIS N N 4 122.815 122.815 122.519 0.296 18299 3044 1 9 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.946 0.013 18299 3045 1 9 . 1 1 4 4 HIS C C 4 174.771 174.771 174.061 0.710 18299 3046 1 9 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.358 0.684 18299 3047 1 9 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.781 2.463 18299 3048 1 9 . 1 1 4 4 HIS H H 4 8.908 8.908 8.343 0.565 18299 3049 1 9 . 1 1 5 5 GLU N N 5 122.404 122.404 126.021 -3.617 18299 3050 1 9 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.566 0.727 18299 3051 1 9 . 1 1 5 5 GLU C C 5 174.389 174.389 174.600 -0.211 18299 3052 1 9 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.927 -0.079 18299 3053 1 9 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.637 1.105 18299 3054 1 9 . 1 1 5 5 GLU H H 5 8.951 8.951 7.892 1.059 18299 3055 1 9 . 1 1 6 6 PHE N N 6 119.234 119.234 125.025 -5.791 18299 3056 1 9 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.101 0.084 18299 3057 1 9 . 1 1 6 6 PHE C C 6 175.130 175.130 173.509 1.621 18299 3058 1 9 . 1 1 6 6 PHE CA C 6 56.746 56.746 57.043 -0.297 18299 3059 1 9 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.212 -1.530 18299 3060 1 9 . 1 1 6 6 PHE H H 6 9.075 9.075 8.147 0.928 18299 3061 1 9 . 1 1 7 7 SER N N 7 118.028 118.028 119.279 -1.251 18299 3062 1 9 . 1 1 7 7 SER HA H 7 5.322 5.322 4.878 0.444 18299 3063 1 9 . 1 1 7 7 SER C C 7 174.651 174.651 172.843 1.808 18299 3064 1 9 . 1 1 7 7 SER CA C 7 56.636 56.636 57.123 -0.487 18299 3065 1 9 . 1 1 7 7 SER CB C 7 63.983 63.983 64.453 -0.470 18299 3066 1 9 . 1 1 7 7 SER H H 7 9.346 9.346 9.185 0.161 18299 3067 1 9 . 1 1 8 8 VAL N N 8 125.476 125.476 127.913 -2.437 18299 3068 1 9 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.906 -0.223 18299 3069 1 9 . 1 1 8 8 VAL C C 8 174.360 174.360 174.618 -0.258 18299 3070 1 9 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.452 0.569 18299 3071 1 9 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.006 0.215 18299 3072 1 9 . 1 1 8 8 VAL H H 8 8.129 8.129 8.577 -0.448 18299 3073 1 9 . 1 1 9 9 ASP N N 9 124.989 124.989 130.234 -5.245 18299 3074 1 9 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.756 -0.060 18299 3075 1 9 . 1 1 9 9 ASP C C 9 175.278 175.278 175.667 -0.389 18299 3076 1 9 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.167 -0.156 18299 3077 1 9 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.684 -1.163 18299 3078 1 9 . 1 1 9 9 ASP H H 9 8.285 8.285 8.244 0.041 18299 3079 1 9 . 1 1 10 10 MET N N 10 125.927 125.927 124.073 1.854 18299 3080 1 9 . 1 1 10 10 MET HA H 10 4.712 4.712 4.669 0.043 18299 3081 1 9 . 1 1 10 10 MET C C 10 175.748 175.748 175.558 0.190 18299 3082 1 9 . 1 1 10 10 MET CA C 10 54.825 54.825 56.009 -1.184 18299 3083 1 9 . 1 1 10 10 MET CB C 10 34.030 34.030 32.165 1.865 18299 3084 1 9 . 1 1 10 10 MET H H 10 8.096 8.096 8.330 -0.234 18299 3085 1 9 . 1 1 11 11 THR N N 11 116.339 116.339 112.857 3.482 18299 3086 1 9 . 1 1 11 11 THR HA H 11 4.326 4.326 4.532 -0.206 18299 3087 1 9 . 1 1 11 11 THR C C 11 174.832 174.832 175.332 -0.500 18299 3088 1 9 . 1 1 11 11 THR CA C 11 63.908 63.908 62.510 1.398 18299 3089 1 9 . 1 1 11 11 THR CB C 11 69.529 69.529 69.874 -0.345 18299 3090 1 9 . 1 1 11 11 THR H H 11 8.886 8.886 8.567 0.319 18299 3091 1 9 . 1 1 12 12 CYS N N 12 117.534 117.534 121.785 -4.251 18299 3092 1 9 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.709 0.086 18299 3093 1 9 . 1 1 12 12 CYS C C 12 174.892 174.892 176.536 -1.644 18299 3094 1 9 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.878 -1.263 18299 3095 1 9 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.620 1.861 18299 3096 1 9 . 1 1 12 12 CYS H H 12 8.183 8.183 8.225 -0.042 18299 3097 1 9 . 1 1 13 13 GLY N N 13 110.516 110.516 111.163 -0.647 18299 3098 1 9 . 1 1 13 13 GLY C C 13 175.328 175.328 176.317 -0.989 18299 3099 1 9 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.757 -1.176 18299 3100 1 9 . 1 1 13 13 GLY H H 13 8.737 8.737 8.331 0.406 18299 3101 1 9 . 1 1 14 14 GLY N N 14 110.521 110.521 109.276 1.245 18299 3102 1 9 . 1 1 14 14 GLY C C 14 175.741 175.741 175.824 -0.083 18299 3103 1 9 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.763 -0.757 18299 3104 1 9 . 1 1 14 14 GLY H H 14 8.677 8.677 8.557 0.120 18299 3105 1 9 . 1 1 15 15 CYS N N 15 121.304 121.304 120.205 1.099 18299 3106 1 9 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.229 0.134 18299 3107 1 9 . 1 1 15 15 CYS C C 15 176.557 176.557 176.627 -0.070 18299 3108 1 9 . 1 1 15 15 CYS CA C 15 61.356 61.356 61.077 0.279 18299 3109 1 9 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.528 0.994 18299 3110 1 9 . 1 1 15 15 CYS H H 15 7.853 7.853 8.263 -0.410 18299 3111 1 9 . 1 1 16 16 ALA N N 16 121.907 121.907 123.589 -1.682 18299 3112 1 9 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.051 -0.029 18299 3113 1 9 . 1 1 16 16 ALA C C 16 180.089 180.089 179.264 0.825 18299 3114 1 9 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.872 0.922 18299 3115 1 9 . 1 1 16 16 ALA CB C 16 18.282 18.282 17.996 0.286 18299 3116 1 9 . 1 1 16 16 ALA H H 16 8.196 8.196 8.713 -0.517 18299 3117 1 9 . 1 1 17 17 GLU N N 17 118.976 118.976 119.204 -0.228 18299 3118 1 9 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.015 0.050 18299 3119 1 9 . 1 1 17 17 GLU C C 17 178.541 178.541 178.166 0.375 18299 3120 1 9 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.410 0.270 18299 3121 1 9 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.229 -0.048 18299 3122 1 9 . 1 1 17 17 GLU H H 17 8.518 8.518 8.031 0.487 18299 3123 1 9 . 1 1 18 18 ALA N N 18 122.909 122.909 121.902 1.007 18299 3124 1 9 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.161 -0.072 18299 3125 1 9 . 1 1 18 18 ALA C C 18 179.665 179.665 180.106 -0.441 18299 3126 1 9 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.590 0.494 18299 3127 1 9 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.177 -0.032 18299 3128 1 9 . 1 1 18 18 ALA H H 18 7.863 7.863 7.356 0.507 18299 3129 1 9 . 1 1 19 19 VAL N N 19 118.050 118.050 118.518 -0.468 18299 3130 1 9 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.642 -0.345 18299 3131 1 9 . 1 1 19 19 VAL C C 19 176.602 176.602 178.597 -1.995 18299 3132 1 9 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.781 0.520 18299 3133 1 9 . 1 1 19 19 VAL CB C 19 31.471 31.471 30.899 0.572 18299 3134 1 9 . 1 1 19 19 VAL H H 19 7.989 7.989 8.032 -0.043 18299 3135 1 9 . 1 1 20 20 SER N N 20 113.425 113.425 115.716 -2.291 18299 3136 1 9 . 1 1 20 20 SER HA H 20 4.086 4.086 4.113 -0.027 18299 3137 1 9 . 1 1 20 20 SER C C 20 175.600 175.600 176.567 -0.967 18299 3138 1 9 . 1 1 20 20 SER CA C 20 62.064 62.064 61.498 0.566 18299 3139 1 9 . 1 1 20 20 SER CB C 20 62.443 62.443 62.623 -0.180 18299 3140 1 9 . 1 1 20 20 SER H H 20 7.808 7.808 7.887 -0.079 18299 3141 1 9 . 1 1 21 21 ARG N N 21 119.858 119.858 121.565 -1.707 18299 3142 1 9 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.883 0.121 18299 3143 1 9 . 1 1 21 21 ARG C C 21 180.231 180.231 178.225 2.006 18299 3144 1 9 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.133 0.937 18299 3145 1 9 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.886 0.591 18299 3146 1 9 . 1 1 21 21 ARG H H 21 8.086 8.086 7.452 0.634 18299 3147 1 9 . 1 1 22 22 VAL N N 22 112.224 112.224 120.058 -7.834 18299 3148 1 9 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.726 0.296 18299 3149 1 9 . 1 1 22 22 VAL C C 22 179.211 179.211 177.225 1.986 18299 3150 1 9 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.158 -0.212 18299 3151 1 9 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.938 -0.275 18299 3152 1 9 . 1 1 22 22 VAL H H 22 7.943 7.943 7.687 0.256 18299 3153 1 9 . 1 1 23 23 LEU N N 23 122.146 122.146 121.948 0.198 18299 3154 1 9 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.058 -0.072 18299 3155 1 9 . 1 1 23 23 LEU C C 23 178.347 178.347 178.430 -0.083 18299 3156 1 9 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.891 -0.642 18299 3157 1 9 . 1 1 23 23 LEU CB C 23 40.850 40.850 40.519 0.331 18299 3158 1 9 . 1 1 23 23 LEU H H 23 7.692 7.692 8.107 -0.415 18299 3159 1 9 . 1 1 24 24 ASN N N 24 118.578 118.578 117.370 1.208 18299 3160 1 9 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.564 -0.035 18299 3161 1 9 . 1 1 24 24 ASN C C 24 178.060 178.060 177.337 0.723 18299 3162 1 9 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.371 -0.765 18299 3163 1 9 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.347 -1.155 18299 3164 1 9 . 1 1 24 24 ASN H H 24 8.683 8.683 7.955 0.728 18299 3165 1 9 . 1 1 25 25 LYS N N 25 118.395 118.395 119.809 -1.414 18299 3166 1 9 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.101 -0.037 18299 3167 1 9 . 1 1 25 25 LYS C C 25 177.770 177.770 178.641 -0.871 18299 3168 1 9 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.809 -0.565 18299 3169 1 9 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.522 -0.336 18299 3170 1 9 . 1 1 25 25 LYS H H 25 7.469 7.469 7.314 0.155 18299 3171 1 9 . 1 1 26 26 LEU N N 26 121.105 121.105 118.633 2.472 18299 3172 1 9 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.222 -0.131 18299 3173 1 9 . 1 1 26 26 LEU C C 26 178.609 178.609 178.172 0.437 18299 3174 1 9 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.764 0.978 18299 3175 1 9 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.934 0.257 18299 3176 1 9 . 1 1 26 26 LEU H H 26 7.209 7.209 7.933 -0.724 18299 3177 1 9 . 1 1 27 27 GLY N N 27 104.036 104.036 103.483 0.553 18299 3178 1 9 . 1 1 27 27 GLY C C 27 173.508 173.508 174.961 -1.453 18299 3179 1 9 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.019 -0.785 18299 3180 1 9 . 1 1 27 27 GLY H H 27 7.691 7.691 8.245 -0.554 18299 3181 1 9 . 1 1 28 28 GLY N N 28 106.538 106.538 109.115 -2.577 18299 3182 1 9 . 1 1 28 28 GLY C C 28 175.737 175.737 174.294 1.443 18299 3183 1 9 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.879 1.739 18299 3184 1 9 . 1 1 28 28 GLY H H 28 8.603 8.603 7.751 0.852 18299 3185 1 9 . 1 1 29 29 VAL N N 29 112.116 112.116 112.407 -0.291 18299 3186 1 9 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.365 0.584 18299 3187 1 9 . 1 1 29 29 VAL C C 29 174.487 174.487 174.674 -0.187 18299 3188 1 9 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.069 0.669 18299 3189 1 9 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.607 2.907 18299 3190 1 9 . 1 1 29 29 VAL H H 29 7.974 7.974 7.315 0.659 18299 3191 1 9 . 1 1 30 30 LYS N N 30 124.568 124.568 121.564 3.004 18299 3192 1 9 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.064 0.584 18299 3193 1 9 . 1 1 30 30 LYS C C 30 174.964 174.964 175.247 -0.283 18299 3194 1 9 . 1 1 30 30 LYS CA C 30 56.003 56.003 56.578 -0.576 18299 3195 1 9 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.930 1.709 18299 3196 1 9 . 1 1 30 30 LYS H H 30 8.370 8.370 8.486 -0.116 18299 3197 1 9 . 1 1 31 31 TYR N N 31 121.504 121.504 120.120 1.384 18299 3198 1 9 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.233 0.751 18299 3199 1 9 . 1 1 31 31 TYR C C 31 172.758 172.758 173.966 -1.208 18299 3200 1 9 . 1 1 31 31 TYR CA C 31 55.124 55.124 54.471 0.653 18299 3201 1 9 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.569 1.212 18299 3202 1 9 . 1 1 31 31 TYR H H 31 8.531 8.531 7.588 0.943 18299 3203 1 9 . 1 1 32 32 ASP N N 32 119.262 119.262 118.787 0.475 18299 3204 1 9 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.925 0.067 18299 3205 1 9 . 1 1 32 32 ASP C C 32 174.839 174.839 173.945 0.894 18299 3206 1 9 . 1 1 32 32 ASP CA C 32 53.283 53.283 54.327 -1.044 18299 3207 1 9 . 1 1 32 32 ASP CB C 32 44.851 44.851 43.613 1.238 18299 3208 1 9 . 1 1 32 32 ASP H H 32 8.750 8.750 8.844 -0.094 18299 3209 1 9 . 1 1 33 33 ILE N N 33 124.951 124.951 122.741 2.210 18299 3210 1 9 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.436 -0.077 18299 3211 1 9 . 1 1 33 33 ILE C C 33 173.855 173.855 174.322 -0.467 18299 3212 1 9 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.009 1.923 18299 3213 1 9 . 1 1 33 33 ILE CB C 33 39.634 39.634 40.807 -1.173 18299 3214 1 9 . 1 1 33 33 ILE H H 33 9.001 9.001 8.543 0.458 18299 3215 1 9 . 1 1 34 34 ASP N N 34 130.202 130.202 130.143 0.059 18299 3216 1 9 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.027 -0.052 18299 3217 1 9 . 1 1 34 34 ASP C C 34 175.761 175.761 175.859 -0.098 18299 3218 1 9 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.057 -1.248 18299 3219 1 9 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.164 0.077 18299 3220 1 9 . 1 1 34 34 ASP H H 34 9.033 9.033 8.726 0.307 18299 3221 1 9 . 1 1 35 35 LEU N N 35 123.830 123.830 126.029 -2.199 18299 3222 1 9 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.294 0.016 18299 3223 1 9 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.607 0.255 18299 3224 1 9 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.526 -1.174 18299 3225 1 9 . 1 1 35 35 LEU H H 35 8.888 8.888 8.777 0.111 18299 3226 1 9 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.257 0.039 18299 3227 1 9 . 1 1 36 36 PRO C C 36 177.959 177.959 177.504 0.455 18299 3228 1 9 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.472 0.913 18299 3229 1 9 . 1 1 36 36 PRO CB C 36 31.493 31.493 30.540 0.953 18299 3230 1 9 . 1 1 37 37 ASN N N 37 110.308 110.308 114.094 -3.786 18299 3231 1 9 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.713 0.186 18299 3232 1 9 . 1 1 37 37 ASN C C 37 172.880 172.880 174.418 -1.538 18299 3233 1 9 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.792 -0.184 18299 3234 1 9 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.362 -0.817 18299 3235 1 9 . 1 1 37 37 ASN H H 37 7.255 7.255 8.010 -0.755 18299 3236 1 9 . 1 1 38 38 LYS N N 38 119.648 119.648 117.806 1.842 18299 3237 1 9 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.967 -0.135 18299 3238 1 9 . 1 1 38 38 LYS C C 38 175.375 175.375 175.086 0.289 18299 3239 1 9 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.247 0.981 18299 3240 1 9 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.603 -0.151 18299 3241 1 9 . 1 1 38 38 LYS H H 38 8.328 8.328 7.780 0.548 18299 3242 1 9 . 1 1 39 39 LYS N N 39 116.950 116.950 118.611 -1.661 18299 3243 1 9 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.575 1.079 18299 3244 1 9 . 1 1 39 39 LYS C C 39 174.797 174.797 174.278 0.519 18299 3245 1 9 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.238 -0.334 18299 3246 1 9 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.961 0.658 18299 3247 1 9 . 1 1 39 39 LYS H H 39 8.203 8.203 7.563 0.640 18299 3248 1 9 . 1 1 40 40 VAL N N 40 121.279 121.279 123.257 -1.978 18299 3249 1 9 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.824 0.150 18299 3250 1 9 . 1 1 40 40 VAL C C 40 173.992 173.992 174.202 -0.210 18299 3251 1 9 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.149 -0.458 18299 3252 1 9 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.469 1.348 18299 3253 1 9 . 1 1 40 40 VAL H H 40 9.115 9.115 8.134 0.981 18299 3254 1 9 . 1 1 41 41 CYS N N 41 126.779 126.779 126.869 -0.090 18299 3255 1 9 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.395 0.240 18299 3256 1 9 . 1 1 41 41 CYS C C 41 174.839 174.839 173.188 1.651 18299 3257 1 9 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.322 -0.351 18299 3258 1 9 . 1 1 41 41 CYS CB C 41 29.139 29.139 29.220 -0.081 18299 3259 1 9 . 1 1 41 41 CYS H H 41 8.767 8.767 8.636 0.131 18299 3260 1 9 . 1 1 42 42 ILE N N 42 125.941 125.941 127.453 -1.512 18299 3261 1 9 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.741 0.238 18299 3262 1 9 . 1 1 42 42 ILE C C 42 174.113 174.113 173.447 0.666 18299 3263 1 9 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.411 1.818 18299 3264 1 9 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.334 0.105 18299 3265 1 9 . 1 1 42 42 ILE H H 42 9.697 9.697 8.505 1.192 18299 3266 1 9 . 1 1 43 43 GLU N N 43 130.488 130.488 129.908 0.580 18299 3267 1 9 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.812 0.644 18299 3268 1 9 . 1 1 43 43 GLU C C 43 176.185 176.185 174.424 1.761 18299 3269 1 9 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.351 -0.466 18299 3270 1 9 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.549 0.477 18299 3271 1 9 . 1 1 43 43 GLU H H 43 9.510 9.510 8.352 1.158 18299 3272 1 9 . 1 1 44 44 SER N N 44 119.391 119.391 121.332 -1.941 18299 3273 1 9 . 1 1 44 44 SER HA H 44 4.868 4.868 4.717 0.151 18299 3274 1 9 . 1 1 44 44 SER C C 44 173.026 173.026 175.403 -2.377 18299 3275 1 9 . 1 1 44 44 SER CA C 44 59.104 59.104 56.012 3.092 18299 3276 1 9 . 1 1 44 44 SER CB C 44 66.159 66.159 65.487 0.672 18299 3277 1 9 . 1 1 44 44 SER H H 44 8.681 8.681 8.410 0.271 18299 3278 1 9 . 1 1 45 45 GLU N N 45 121.420 121.420 121.488 -0.068 18299 3279 1 9 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.194 0.360 18299 3280 1 9 . 1 1 45 45 GLU C C 45 177.473 177.473 177.251 0.222 18299 3281 1 9 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.866 -2.659 18299 3282 1 9 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.695 0.157 18299 3283 1 9 . 1 1 45 45 GLU H H 45 9.026 9.026 8.770 0.256 18299 3284 1 9 . 1 1 46 46 HIS N N 46 119.653 119.653 116.336 3.317 18299 3285 1 9 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.798 -0.155 18299 3286 1 9 . 1 1 46 46 HIS C C 46 175.514 175.514 174.511 1.003 18299 3287 1 9 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.830 1.085 18299 3288 1 9 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.480 0.245 18299 3289 1 9 . 1 1 46 46 HIS H H 46 8.423 8.423 8.176 0.247 18299 3290 1 9 . 1 1 47 47 SER N N 47 116.562 116.562 114.400 2.162 18299 3291 1 9 . 1 1 47 47 SER HA H 47 4.349 4.349 3.948 0.401 18299 3292 1 9 . 1 1 47 47 SER C C 47 174.638 174.638 174.094 0.544 18299 3293 1 9 . 1 1 47 47 SER CA C 47 57.438 57.438 59.187 -1.749 18299 3294 1 9 . 1 1 47 47 SER CB C 47 65.022 65.022 62.600 2.422 18299 3295 1 9 . 1 1 47 47 SER H H 47 9.093 9.093 8.361 0.732 18299 3296 1 9 . 1 1 48 48 MET N N 48 121.402 121.402 116.817 4.585 18299 3297 1 9 . 1 1 48 48 MET HA H 48 3.412 3.412 4.339 -0.927 18299 3298 1 9 . 1 1 48 48 MET C C 48 177.797 177.797 173.919 3.878 18299 3299 1 9 . 1 1 48 48 MET CA C 48 60.298 60.298 56.923 3.375 18299 3300 1 9 . 1 1 48 48 MET CB C 48 30.776 30.776 31.176 -0.400 18299 3301 1 9 . 1 1 48 48 MET H H 48 8.920 8.920 8.878 0.042 18299 3302 1 9 . 1 1 49 49 ASP N N 49 116.251 116.251 114.698 1.553 18299 3303 1 9 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.774 -0.572 18299 3304 1 9 . 1 1 49 49 ASP C C 49 179.291 179.291 177.445 1.846 18299 3305 1 9 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.509 2.046 18299 3306 1 9 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.746 0.106 18299 3307 1 9 . 1 1 49 49 ASP H H 49 8.345 8.345 8.118 0.227 18299 3308 1 9 . 1 1 50 50 THR N N 50 120.023 120.023 117.064 2.959 18299 3309 1 9 . 1 1 50 50 THR HA H 50 4.305 4.305 4.204 0.101 18299 3310 1 9 . 1 1 50 50 THR C C 50 177.416 177.416 176.314 1.102 18299 3311 1 9 . 1 1 50 50 THR CA C 50 66.392 66.392 64.848 1.544 18299 3312 1 9 . 1 1 50 50 THR CB C 50 68.452 68.452 68.817 -0.365 18299 3313 1 9 . 1 1 50 50 THR H H 50 8.019 8.019 8.331 -0.312 18299 3314 1 9 . 1 1 51 51 LEU N N 51 124.562 124.562 121.384 3.178 18299 3315 1 9 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.997 -0.489 18299 3316 1 9 . 1 1 51 51 LEU C C 51 177.386 177.386 178.644 -1.258 18299 3317 1 9 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.607 -0.144 18299 3318 1 9 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.613 1.755 18299 3319 1 9 . 1 1 51 51 LEU H H 51 8.043 8.043 7.837 0.206 18299 3320 1 9 . 1 1 52 52 LEU N N 52 120.718 120.718 116.636 4.082 18299 3321 1 9 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.755 -0.209 18299 3322 1 9 . 1 1 52 52 LEU C C 52 178.065 178.065 178.716 -0.651 18299 3323 1 9 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.857 0.614 18299 3324 1 9 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.275 2.426 18299 3325 1 9 . 1 1 52 52 LEU H H 52 8.993 8.993 7.748 1.245 18299 3326 1 9 . 1 1 53 53 ALA N N 53 118.641 118.641 121.606 -2.965 18299 3327 1 9 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.906 0.007 18299 3328 1 9 . 1 1 53 53 ALA C C 53 180.677 180.677 179.732 0.945 18299 3329 1 9 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.054 -0.019 18299 3330 1 9 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.082 0.087 18299 3331 1 9 . 1 1 53 53 ALA H H 53 7.859 7.859 7.742 0.117 18299 3332 1 9 . 1 1 54 54 THR N N 54 114.407 114.407 116.009 -1.602 18299 3333 1 9 . 1 1 54 54 THR HA H 54 3.662 3.662 3.952 -0.290 18299 3334 1 9 . 1 1 54 54 THR C C 54 175.694 175.694 176.473 -0.779 18299 3335 1 9 . 1 1 54 54 THR CA C 54 67.449 67.449 67.103 0.346 18299 3336 1 9 . 1 1 54 54 THR CB C 54 68.226 68.226 69.021 -0.795 18299 3337 1 9 . 1 1 54 54 THR H H 54 7.688 7.688 7.483 0.205 18299 3338 1 9 . 1 1 55 55 LEU N N 55 119.491 119.491 120.859 -1.368 18299 3339 1 9 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.007 -0.205 18299 3340 1 9 . 1 1 55 55 LEU C C 55 179.660 179.660 178.777 0.883 18299 3341 1 9 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.560 0.291 18299 3342 1 9 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.535 1.472 18299 3343 1 9 . 1 1 55 55 LEU H H 55 8.104 8.104 8.574 -0.470 18299 3344 1 9 . 1 1 56 56 LYS N N 56 119.317 119.317 118.285 1.032 18299 3345 1 9 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.033 -0.064 18299 3346 1 9 . 1 1 56 56 LYS C C 56 179.227 179.227 178.601 0.626 18299 3347 1 9 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.758 2.018 18299 3348 1 9 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.878 0.344 18299 3349 1 9 . 1 1 56 56 LYS H H 56 8.333 8.333 8.118 0.215 18299 3350 1 9 . 1 1 57 57 LYS N N 57 120.188 120.188 118.341 1.847 18299 3351 1 9 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.040 0.122 18299 3352 1 9 . 1 1 57 57 LYS C C 57 178.128 178.128 178.103 0.025 18299 3353 1 9 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.978 0.105 18299 3354 1 9 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.966 0.486 18299 3355 1 9 . 1 1 57 57 LYS H H 57 7.646 7.646 7.444 0.202 18299 3356 1 9 . 1 1 58 58 THR N N 58 106.563 106.563 108.770 -2.207 18299 3357 1 9 . 1 1 58 58 THR HA H 58 4.277 4.277 4.382 -0.105 18299 3358 1 9 . 1 1 58 58 THR C C 58 175.933 175.933 174.766 1.167 18299 3359 1 9 . 1 1 58 58 THR CA C 58 63.742 63.742 62.544 1.198 18299 3360 1 9 . 1 1 58 58 THR CB C 58 71.108 71.108 69.612 1.496 18299 3361 1 9 . 1 1 58 58 THR H H 58 7.483 7.483 7.727 -0.244 18299 3362 1 9 . 1 1 59 59 GLY N N 59 108.569 108.569 109.387 -0.818 18299 3363 1 9 . 1 1 59 59 GLY C C 59 173.171 173.171 174.141 -0.970 18299 3364 1 9 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.936 0.055 18299 3365 1 9 . 1 1 59 59 GLY H H 59 7.774 7.774 7.820 -0.046 18299 3366 1 9 . 1 1 60 60 ALA N N 60 122.420 122.420 123.330 -0.910 18299 3367 1 9 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.409 0.097 18299 3368 1 9 . 1 1 60 60 ALA C C 60 177.155 177.155 177.537 -0.382 18299 3369 1 9 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.647 -0.592 18299 3370 1 9 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.996 0.312 18299 3371 1 9 . 1 1 60 60 ALA H H 60 7.524 7.524 7.361 0.163 18299 3372 1 9 . 1 1 61 61 THR N N 61 117.690 117.690 117.345 0.345 18299 3373 1 9 . 1 1 61 61 THR HA H 61 4.321 4.321 4.200 0.121 18299 3374 1 9 . 1 1 61 61 THR C C 61 174.635 174.635 173.250 1.385 18299 3375 1 9 . 1 1 61 61 THR CA C 61 63.922 63.922 64.146 -0.224 18299 3376 1 9 . 1 1 61 61 THR CB C 61 68.904 68.904 69.634 -0.730 18299 3377 1 9 . 1 1 61 61 THR H H 61 8.491 8.491 8.615 -0.124 18299 3378 1 9 . 1 1 62 62 VAL N N 62 129.030 129.030 125.115 3.915 18299 3379 1 9 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.501 0.813 18299 3380 1 9 . 1 1 62 62 VAL C C 62 174.947 174.947 174.994 -0.047 18299 3381 1 9 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.883 -0.568 18299 3382 1 9 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.106 0.558 18299 3383 1 9 . 1 1 62 62 VAL H H 62 8.709 8.709 8.299 0.410 18299 3384 1 9 . 1 1 63 63 SER N N 63 119.588 119.588 125.324 -5.736 18299 3385 1 9 . 1 1 63 63 SER HA H 63 4.865 4.865 5.038 -0.173 18299 3386 1 9 . 1 1 63 63 SER C C 63 173.019 173.019 172.676 0.343 18299 3387 1 9 . 1 1 63 63 SER CA C 63 57.347 57.347 56.761 0.586 18299 3388 1 9 . 1 1 63 63 SER CB C 63 65.605 65.605 65.075 0.530 18299 3389 1 9 . 1 1 63 63 SER H H 63 8.988 8.988 9.009 -0.021 18299 3390 1 9 . 1 1 64 64 TYR N N 64 125.400 125.400 126.996 -1.596 18299 3391 1 9 . 1 1 64 64 TYR HA H 64 4.579 4.579 2.911 1.668 18299 3392 1 9 . 1 1 64 64 TYR C C 64 175.523 175.523 173.956 1.567 18299 3393 1 9 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.720 0.734 18299 3394 1 9 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.361 0.661 18299 3395 1 9 . 1 1 64 64 TYR H H 64 9.391 9.391 8.816 0.575 18299 3396 1 9 . 1 1 65 65 LEU N N 65 128.500 128.500 127.027 1.473 18299 3397 1 9 . 1 1 65 65 LEU HA H 65 4.319 4.319 3.989 0.330 18299 3398 1 9 . 1 1 65 65 LEU C C 65 176.473 176.473 177.258 -0.785 18299 3399 1 9 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.065 -0.388 18299 3400 1 9 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.754 -0.696 18299 3401 1 9 . 1 1 65 65 LEU H H 65 8.304 8.304 7.871 0.433 18299 3402 1 9 . 1 1 66 66 GLY N N 66 105.737 105.737 105.249 0.488 18299 3403 1 9 . 1 1 66 66 GLY C C 66 171.330 171.330 172.250 -0.920 18299 3404 1 9 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.438 0.598 18299 3405 1 9 . 1 1 66 66 GLY H H 66 5.977 5.977 7.130 -1.153 18299 3406 1 9 . 1 1 67 67 LEU N N 67 120.133 120.133 121.045 -0.912 18299 3407 1 9 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.685 0.097 18299 3408 1 9 . 1 1 67 67 LEU C C 67 177.339 177.339 176.636 0.703 18299 3409 1 9 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.051 0.325 18299 3410 1 9 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.044 -0.163 18299 3411 1 9 . 1 1 67 67 LEU H H 67 7.947 7.947 8.258 -0.311 18299 3412 1 10 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.653 -0.400 18299 3413 1 10 . 1 1 2 2 PRO C C 2 174.299 174.299 175.678 -1.379 18299 3414 1 10 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.730 0.605 18299 3415 1 10 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.279 0.354 18299 3416 1 10 . 1 1 3 3 LYS N N 3 121.020 121.020 118.977 2.043 18299 3417 1 10 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.526 0.408 18299 3418 1 10 . 1 1 3 3 LYS C C 3 175.055 175.055 175.153 -0.098 18299 3419 1 10 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.335 -0.441 18299 3420 1 10 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.567 -0.185 18299 3421 1 10 . 1 1 3 3 LYS H H 3 8.038 8.038 8.173 -0.135 18299 3422 1 10 . 1 1 4 4 HIS N N 4 122.815 122.815 122.612 0.203 18299 3423 1 10 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.069 -0.110 18299 3424 1 10 . 1 1 4 4 HIS C C 4 174.771 174.771 173.726 1.045 18299 3425 1 10 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.306 1.736 18299 3426 1 10 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.898 2.346 18299 3427 1 10 . 1 1 4 4 HIS H H 4 8.908 8.908 8.749 0.159 18299 3428 1 10 . 1 1 5 5 GLU N N 5 122.404 122.404 126.671 -4.267 18299 3429 1 10 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.608 0.685 18299 3430 1 10 . 1 1 5 5 GLU C C 5 174.389 174.389 174.979 -0.590 18299 3431 1 10 . 1 1 5 5 GLU CA C 5 55.848 55.848 54.780 1.068 18299 3432 1 10 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.131 1.611 18299 3433 1 10 . 1 1 5 5 GLU H H 5 8.951 8.951 8.099 0.852 18299 3434 1 10 . 1 1 6 6 PHE N N 6 119.234 119.234 121.530 -2.296 18299 3435 1 10 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.425 -0.240 18299 3436 1 10 . 1 1 6 6 PHE C C 6 175.130 175.130 173.266 1.864 18299 3437 1 10 . 1 1 6 6 PHE CA C 6 56.746 56.746 55.428 1.319 18299 3438 1 10 . 1 1 6 6 PHE CB C 6 42.682 42.682 42.740 -0.058 18299 3439 1 10 . 1 1 6 6 PHE H H 6 9.075 9.075 8.295 0.780 18299 3440 1 10 . 1 1 7 7 SER N N 7 118.028 118.028 117.188 0.840 18299 3441 1 10 . 1 1 7 7 SER HA H 7 5.322 5.322 4.766 0.556 18299 3442 1 10 . 1 1 7 7 SER C C 7 174.651 174.651 173.220 1.431 18299 3443 1 10 . 1 1 7 7 SER CA C 7 56.636 56.636 56.980 -0.344 18299 3444 1 10 . 1 1 7 7 SER CB C 7 63.983 63.983 64.831 -0.848 18299 3445 1 10 . 1 1 7 7 SER H H 7 9.346 9.346 9.007 0.339 18299 3446 1 10 . 1 1 8 8 VAL N N 8 125.476 125.476 126.075 -0.599 18299 3447 1 10 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.899 -0.216 18299 3448 1 10 . 1 1 8 8 VAL C C 8 174.360 174.360 174.691 -0.331 18299 3449 1 10 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.370 0.650 18299 3450 1 10 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.738 -0.517 18299 3451 1 10 . 1 1 8 8 VAL H H 8 8.129 8.129 8.680 -0.551 18299 3452 1 10 . 1 1 9 9 ASP N N 9 124.989 124.989 129.489 -4.500 18299 3453 1 10 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.790 -0.094 18299 3454 1 10 . 1 1 9 9 ASP C C 9 175.278 175.278 175.888 -0.610 18299 3455 1 10 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.897 0.115 18299 3456 1 10 . 1 1 9 9 ASP CB C 9 40.521 40.521 42.038 -1.517 18299 3457 1 10 . 1 1 9 9 ASP H H 9 8.285 8.285 8.130 0.155 18299 3458 1 10 . 1 1 10 10 MET N N 10 125.927 125.927 123.025 2.902 18299 3459 1 10 . 1 1 10 10 MET HA H 10 4.712 4.712 4.588 0.124 18299 3460 1 10 . 1 1 10 10 MET C C 10 175.748 175.748 175.839 -0.091 18299 3461 1 10 . 1 1 10 10 MET CA C 10 54.825 54.825 56.328 -1.503 18299 3462 1 10 . 1 1 10 10 MET CB C 10 34.030 34.030 32.718 1.312 18299 3463 1 10 . 1 1 10 10 MET H H 10 8.096 8.096 8.445 -0.349 18299 3464 1 10 . 1 1 11 11 THR N N 11 116.339 116.339 119.784 -3.445 18299 3465 1 10 . 1 1 11 11 THR HA H 11 4.326 4.326 4.404 -0.078 18299 3466 1 10 . 1 1 11 11 THR C C 11 174.832 174.832 175.514 -0.682 18299 3467 1 10 . 1 1 11 11 THR CA C 11 63.908 63.908 63.593 0.315 18299 3468 1 10 . 1 1 11 11 THR CB C 11 69.529 69.529 69.536 -0.007 18299 3469 1 10 . 1 1 11 11 THR H H 11 8.886 8.886 8.755 0.131 18299 3470 1 10 . 1 1 12 12 CYS N N 12 117.534 117.534 122.191 -4.657 18299 3471 1 10 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.789 0.006 18299 3472 1 10 . 1 1 12 12 CYS C C 12 174.892 174.892 176.711 -1.819 18299 3473 1 10 . 1 1 12 12 CYS CA C 12 57.615 57.615 57.109 0.506 18299 3474 1 10 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.137 2.344 18299 3475 1 10 . 1 1 12 12 CYS H H 12 8.183 8.183 8.248 -0.065 18299 3476 1 10 . 1 1 13 13 GLY N N 13 110.516 110.516 111.428 -0.912 18299 3477 1 10 . 1 1 13 13 GLY C C 13 175.328 175.328 176.181 -0.853 18299 3478 1 10 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.768 -1.187 18299 3479 1 10 . 1 1 13 13 GLY H H 13 8.737 8.737 8.576 0.161 18299 3480 1 10 . 1 1 14 14 GLY N N 14 110.521 110.521 108.646 1.875 18299 3481 1 10 . 1 1 14 14 GLY C C 14 175.741 175.741 175.525 0.216 18299 3482 1 10 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.573 -0.567 18299 3483 1 10 . 1 1 14 14 GLY H H 14 8.677 8.677 8.319 0.358 18299 3484 1 10 . 1 1 15 15 CYS N N 15 121.304 121.304 120.001 1.303 18299 3485 1 10 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.199 0.164 18299 3486 1 10 . 1 1 15 15 CYS C C 15 176.557 176.557 176.426 0.131 18299 3487 1 10 . 1 1 15 15 CYS CA C 15 61.356 61.356 61.791 -0.435 18299 3488 1 10 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.972 0.550 18299 3489 1 10 . 1 1 15 15 CYS H H 15 7.853 7.853 8.419 -0.566 18299 3490 1 10 . 1 1 16 16 ALA N N 16 121.907 121.907 122.513 -0.606 18299 3491 1 10 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.071 -0.049 18299 3492 1 10 . 1 1 16 16 ALA C C 16 180.089 180.089 179.139 0.950 18299 3493 1 10 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.028 0.766 18299 3494 1 10 . 1 1 16 16 ALA CB C 16 18.282 18.282 17.983 0.299 18299 3495 1 10 . 1 1 16 16 ALA H H 16 8.196 8.196 8.669 -0.473 18299 3496 1 10 . 1 1 17 17 GLU N N 17 118.976 118.976 119.176 -0.200 18299 3497 1 10 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.064 0.001 18299 3498 1 10 . 1 1 17 17 GLU C C 17 178.541 178.541 178.118 0.423 18299 3499 1 10 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.425 0.256 18299 3500 1 10 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.231 -0.050 18299 3501 1 10 . 1 1 17 17 GLU H H 17 8.518 8.518 7.895 0.623 18299 3502 1 10 . 1 1 18 18 ALA N N 18 122.909 122.909 122.159 0.750 18299 3503 1 10 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.195 -0.106 18299 3504 1 10 . 1 1 18 18 ALA C C 18 179.665 179.665 180.127 -0.462 18299 3505 1 10 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.599 0.485 18299 3506 1 10 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.241 -0.096 18299 3507 1 10 . 1 1 18 18 ALA H H 18 7.863 7.863 7.434 0.429 18299 3508 1 10 . 1 1 19 19 VAL N N 19 118.050 118.050 118.446 -0.396 18299 3509 1 10 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.607 -0.310 18299 3510 1 10 . 1 1 19 19 VAL C C 19 176.602 176.602 178.530 -1.928 18299 3511 1 10 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.214 0.087 18299 3512 1 10 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.087 0.384 18299 3513 1 10 . 1 1 19 19 VAL H H 19 7.989 7.989 8.153 -0.164 18299 3514 1 10 . 1 1 20 20 SER N N 20 113.425 113.425 115.472 -2.047 18299 3515 1 10 . 1 1 20 20 SER HA H 20 4.086 4.086 4.018 0.068 18299 3516 1 10 . 1 1 20 20 SER C C 20 175.600 175.600 176.414 -0.814 18299 3517 1 10 . 1 1 20 20 SER CA C 20 62.064 62.064 62.114 -0.050 18299 3518 1 10 . 1 1 20 20 SER CB C 20 62.443 62.443 62.870 -0.427 18299 3519 1 10 . 1 1 20 20 SER H H 20 7.808 7.808 7.911 -0.103 18299 3520 1 10 . 1 1 21 21 ARG N N 21 119.858 119.858 121.504 -1.646 18299 3521 1 10 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.963 0.041 18299 3522 1 10 . 1 1 21 21 ARG C C 21 180.231 180.231 178.108 2.123 18299 3523 1 10 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.192 0.878 18299 3524 1 10 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.017 0.459 18299 3525 1 10 . 1 1 21 21 ARG H H 21 8.086 8.086 7.451 0.635 18299 3526 1 10 . 1 1 22 22 VAL N N 22 112.224 112.224 118.821 -6.597 18299 3527 1 10 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.791 0.231 18299 3528 1 10 . 1 1 22 22 VAL C C 22 179.211 179.211 177.310 1.901 18299 3529 1 10 . 1 1 22 22 VAL CA C 22 64.946 64.946 64.031 0.915 18299 3530 1 10 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.481 0.182 18299 3531 1 10 . 1 1 22 22 VAL H H 22 7.943 7.943 7.623 0.320 18299 3532 1 10 . 1 1 23 23 LEU N N 23 122.146 122.146 121.734 0.412 18299 3533 1 10 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.986 0.000 18299 3534 1 10 . 1 1 23 23 LEU C C 23 178.347 178.347 178.138 0.209 18299 3535 1 10 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.638 -0.389 18299 3536 1 10 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.618 -0.768 18299 3537 1 10 . 1 1 23 23 LEU H H 23 7.692 7.692 8.065 -0.373 18299 3538 1 10 . 1 1 24 24 ASN N N 24 118.578 118.578 116.944 1.634 18299 3539 1 10 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.339 0.190 18299 3540 1 10 . 1 1 24 24 ASN C C 24 178.060 178.060 176.989 1.071 18299 3541 1 10 . 1 1 24 24 ASN CA C 24 55.606 55.606 55.965 -0.359 18299 3542 1 10 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.349 -1.157 18299 3543 1 10 . 1 1 24 24 ASN H H 24 8.683 8.683 8.158 0.525 18299 3544 1 10 . 1 1 25 25 LYS N N 25 118.395 118.395 118.971 -0.576 18299 3545 1 10 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.056 0.008 18299 3546 1 10 . 1 1 25 25 LYS C C 25 177.770 177.770 178.284 -0.514 18299 3547 1 10 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.568 -0.323 18299 3548 1 10 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.310 -0.124 18299 3549 1 10 . 1 1 25 25 LYS H H 25 7.469 7.469 7.552 -0.083 18299 3550 1 10 . 1 1 26 26 LEU N N 26 121.105 121.105 118.627 2.478 18299 3551 1 10 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.276 -0.185 18299 3552 1 10 . 1 1 26 26 LEU C C 26 178.609 178.609 178.227 0.382 18299 3553 1 10 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.526 1.216 18299 3554 1 10 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.964 0.228 18299 3555 1 10 . 1 1 26 26 LEU H H 26 7.209 7.209 7.364 -0.155 18299 3556 1 10 . 1 1 27 27 GLY N N 27 104.036 104.036 103.807 0.229 18299 3557 1 10 . 1 1 27 27 GLY C C 27 173.508 173.508 174.949 -1.441 18299 3558 1 10 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.073 -0.840 18299 3559 1 10 . 1 1 27 27 GLY H H 27 7.691 7.691 8.310 -0.619 18299 3560 1 10 . 1 1 28 28 GLY N N 28 106.538 106.538 109.033 -2.495 18299 3561 1 10 . 1 1 28 28 GLY C C 28 175.737 175.737 174.085 1.652 18299 3562 1 10 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.078 1.540 18299 3563 1 10 . 1 1 28 28 GLY H H 28 8.603 8.603 7.774 0.829 18299 3564 1 10 . 1 1 29 29 VAL N N 29 112.116 112.116 116.945 -4.829 18299 3565 1 10 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.515 0.434 18299 3566 1 10 . 1 1 29 29 VAL C C 29 174.487 174.487 175.417 -0.930 18299 3567 1 10 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.324 0.414 18299 3568 1 10 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.995 2.519 18299 3569 1 10 . 1 1 29 29 VAL H H 29 7.974 7.974 7.483 0.491 18299 3570 1 10 . 1 1 30 30 LYS N N 30 124.568 124.568 122.153 2.415 18299 3571 1 10 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.607 0.041 18299 3572 1 10 . 1 1 30 30 LYS C C 30 174.964 174.964 175.246 -0.282 18299 3573 1 10 . 1 1 30 30 LYS CA C 30 56.003 56.003 56.162 -0.159 18299 3574 1 10 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.566 1.073 18299 3575 1 10 . 1 1 30 30 LYS H H 30 8.370 8.370 8.634 -0.264 18299 3576 1 10 . 1 1 31 31 TYR N N 31 121.504 121.504 119.169 2.335 18299 3577 1 10 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.365 0.619 18299 3578 1 10 . 1 1 31 31 TYR C C 31 172.758 172.758 173.625 -0.867 18299 3579 1 10 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.746 -0.622 18299 3580 1 10 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.667 1.114 18299 3581 1 10 . 1 1 31 31 TYR H H 31 8.531 8.531 8.119 0.412 18299 3582 1 10 . 1 1 32 32 ASP N N 32 119.262 119.262 121.707 -2.445 18299 3583 1 10 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.988 0.004 18299 3584 1 10 . 1 1 32 32 ASP C C 32 174.839 174.839 174.654 0.185 18299 3585 1 10 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.693 -0.410 18299 3586 1 10 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.670 0.181 18299 3587 1 10 . 1 1 32 32 ASP H H 32 8.750 8.750 9.002 -0.252 18299 3588 1 10 . 1 1 33 33 ILE N N 33 124.951 124.951 120.672 4.279 18299 3589 1 10 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.514 -0.155 18299 3590 1 10 . 1 1 33 33 ILE C C 33 173.855 173.855 174.459 -0.604 18299 3591 1 10 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.955 1.977 18299 3592 1 10 . 1 1 33 33 ILE CB C 33 39.634 39.634 38.933 0.701 18299 3593 1 10 . 1 1 33 33 ILE H H 33 9.001 9.001 8.455 0.546 18299 3594 1 10 . 1 1 34 34 ASP N N 34 130.202 130.202 127.570 2.632 18299 3595 1 10 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.988 -0.013 18299 3596 1 10 . 1 1 34 34 ASP C C 34 175.761 175.761 175.859 -0.098 18299 3597 1 10 . 1 1 34 34 ASP CA C 34 51.809 51.809 52.964 -1.155 18299 3598 1 10 . 1 1 34 34 ASP CB C 34 41.241 41.241 42.855 -1.614 18299 3599 1 10 . 1 1 34 34 ASP H H 34 9.033 9.033 8.083 0.950 18299 3600 1 10 . 1 1 35 35 LEU N N 35 123.830 123.830 126.515 -2.685 18299 3601 1 10 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.180 0.130 18299 3602 1 10 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.382 0.480 18299 3603 1 10 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.581 -1.229 18299 3604 1 10 . 1 1 35 35 LEU H H 35 8.888 8.888 8.776 0.112 18299 3605 1 10 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.194 0.102 18299 3606 1 10 . 1 1 36 36 PRO C C 36 177.959 177.959 177.845 0.114 18299 3607 1 10 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.590 0.796 18299 3608 1 10 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.204 0.289 18299 3609 1 10 . 1 1 37 37 ASN N N 37 110.308 110.308 113.528 -3.220 18299 3610 1 10 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.769 0.130 18299 3611 1 10 . 1 1 37 37 ASN C C 37 172.880 172.880 174.614 -1.734 18299 3612 1 10 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.722 -0.114 18299 3613 1 10 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.843 -1.298 18299 3614 1 10 . 1 1 37 37 ASN H H 37 7.255 7.255 7.574 -0.319 18299 3615 1 10 . 1 1 38 38 LYS N N 38 119.648 119.648 116.205 3.443 18299 3616 1 10 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.880 -0.048 18299 3617 1 10 . 1 1 38 38 LYS C C 38 175.375 175.375 174.908 0.467 18299 3618 1 10 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.491 0.737 18299 3619 1 10 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.627 -0.175 18299 3620 1 10 . 1 1 38 38 LYS H H 38 8.328 8.328 8.001 0.327 18299 3621 1 10 . 1 1 39 39 LYS N N 39 116.950 116.950 116.420 0.530 18299 3622 1 10 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.557 1.097 18299 3623 1 10 . 1 1 39 39 LYS C C 39 174.797 174.797 174.044 0.753 18299 3624 1 10 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.287 -0.383 18299 3625 1 10 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.572 0.048 18299 3626 1 10 . 1 1 39 39 LYS H H 39 8.203 8.203 7.278 0.925 18299 3627 1 10 . 1 1 40 40 VAL N N 40 121.279 121.279 120.490 0.789 18299 3628 1 10 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.441 0.533 18299 3629 1 10 . 1 1 40 40 VAL C C 40 173.992 173.992 173.613 0.379 18299 3630 1 10 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.739 -0.048 18299 3631 1 10 . 1 1 40 40 VAL CB C 40 35.817 35.817 35.400 0.417 18299 3632 1 10 . 1 1 40 40 VAL H H 40 9.115 9.115 7.781 1.334 18299 3633 1 10 . 1 1 41 41 CYS N N 41 126.779 126.779 127.242 -0.463 18299 3634 1 10 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.671 0.964 18299 3635 1 10 . 1 1 41 41 CYS C C 41 174.839 174.839 172.689 2.150 18299 3636 1 10 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.359 -0.388 18299 3637 1 10 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.363 0.776 18299 3638 1 10 . 1 1 41 41 CYS H H 41 8.767 8.767 8.611 0.156 18299 3639 1 10 . 1 1 42 42 ILE N N 42 125.941 125.941 128.268 -2.327 18299 3640 1 10 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.734 0.245 18299 3641 1 10 . 1 1 42 42 ILE C C 42 174.113 174.113 173.328 0.785 18299 3642 1 10 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.492 1.737 18299 3643 1 10 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.381 0.058 18299 3644 1 10 . 1 1 42 42 ILE H H 42 9.697 9.697 9.179 0.518 18299 3645 1 10 . 1 1 43 43 GLU N N 43 130.488 130.488 129.922 0.566 18299 3646 1 10 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.800 0.656 18299 3647 1 10 . 1 1 43 43 GLU C C 43 176.185 176.185 174.500 1.685 18299 3648 1 10 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.406 -0.521 18299 3649 1 10 . 1 1 43 43 GLU CB C 43 32.026 32.026 32.108 -0.083 18299 3650 1 10 . 1 1 43 43 GLU H H 43 9.510 9.510 8.639 0.871 18299 3651 1 10 . 1 1 44 44 SER N N 44 119.391 119.391 121.159 -1.768 18299 3652 1 10 . 1 1 44 44 SER HA H 44 4.868 4.868 4.745 0.123 18299 3653 1 10 . 1 1 44 44 SER C C 44 173.026 173.026 174.340 -1.314 18299 3654 1 10 . 1 1 44 44 SER CA C 44 59.104 59.104 56.077 3.027 18299 3655 1 10 . 1 1 44 44 SER CB C 44 66.159 66.159 65.672 0.487 18299 3656 1 10 . 1 1 44 44 SER H H 44 8.681 8.681 8.492 0.189 18299 3657 1 10 . 1 1 45 45 GLU N N 45 121.420 121.420 120.813 0.607 18299 3658 1 10 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.224 0.330 18299 3659 1 10 . 1 1 45 45 GLU C C 45 177.473 177.473 176.976 0.497 18299 3660 1 10 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.325 -2.118 18299 3661 1 10 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.840 0.011 18299 3662 1 10 . 1 1 45 45 GLU H H 45 9.026 9.026 8.791 0.235 18299 3663 1 10 . 1 1 46 46 HIS N N 46 119.653 119.653 118.298 1.355 18299 3664 1 10 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.782 -0.139 18299 3665 1 10 . 1 1 46 46 HIS C C 46 175.514 175.514 174.431 1.083 18299 3666 1 10 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.706 1.210 18299 3667 1 10 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.786 -0.061 18299 3668 1 10 . 1 1 46 46 HIS H H 46 8.423 8.423 8.439 -0.016 18299 3669 1 10 . 1 1 47 47 SER N N 47 116.562 116.562 115.932 0.630 18299 3670 1 10 . 1 1 47 47 SER HA H 47 4.349 4.349 4.102 0.247 18299 3671 1 10 . 1 1 47 47 SER C C 47 174.638 174.638 172.537 2.101 18299 3672 1 10 . 1 1 47 47 SER CA C 47 57.438 57.438 58.953 -1.515 18299 3673 1 10 . 1 1 47 47 SER CB C 47 65.022 65.022 61.828 3.194 18299 3674 1 10 . 1 1 47 47 SER H H 47 9.093 9.093 8.207 0.886 18299 3675 1 10 . 1 1 48 48 MET N N 48 121.402 121.402 117.809 3.593 18299 3676 1 10 . 1 1 48 48 MET HA H 48 3.412 3.412 4.358 -0.946 18299 3677 1 10 . 1 1 48 48 MET C C 48 177.797 177.797 173.781 4.016 18299 3678 1 10 . 1 1 48 48 MET CA C 48 60.298 60.298 56.027 4.271 18299 3679 1 10 . 1 1 48 48 MET CB C 48 30.776 30.776 32.568 -1.792 18299 3680 1 10 . 1 1 48 48 MET H H 48 8.920 8.920 8.108 0.812 18299 3681 1 10 . 1 1 49 49 ASP N N 49 116.251 116.251 115.495 0.756 18299 3682 1 10 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.498 -0.296 18299 3683 1 10 . 1 1 49 49 ASP C C 49 179.291 179.291 176.849 2.442 18299 3684 1 10 . 1 1 49 49 ASP CA C 49 57.555 57.555 54.985 2.570 18299 3685 1 10 . 1 1 49 49 ASP CB C 49 40.852 40.852 39.727 1.125 18299 3686 1 10 . 1 1 49 49 ASP H H 49 8.345 8.345 7.993 0.352 18299 3687 1 10 . 1 1 50 50 THR N N 50 120.023 120.023 115.533 4.490 18299 3688 1 10 . 1 1 50 50 THR HA H 50 4.305 4.305 4.113 0.192 18299 3689 1 10 . 1 1 50 50 THR C C 50 177.416 177.416 176.004 1.412 18299 3690 1 10 . 1 1 50 50 THR CA C 50 66.392 66.392 64.491 1.901 18299 3691 1 10 . 1 1 50 50 THR CB C 50 68.452 68.452 68.855 -0.403 18299 3692 1 10 . 1 1 50 50 THR H H 50 8.019 8.019 8.387 -0.368 18299 3693 1 10 . 1 1 51 51 LEU N N 51 124.562 124.562 119.897 4.665 18299 3694 1 10 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.980 -0.472 18299 3695 1 10 . 1 1 51 51 LEU C C 51 177.386 177.386 178.085 -0.699 18299 3696 1 10 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.918 0.545 18299 3697 1 10 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.544 1.824 18299 3698 1 10 . 1 1 51 51 LEU H H 51 8.043 8.043 7.739 0.304 18299 3699 1 10 . 1 1 52 52 LEU N N 52 120.718 120.718 116.668 4.050 18299 3700 1 10 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.964 -0.418 18299 3701 1 10 . 1 1 52 52 LEU C C 52 178.065 178.065 178.738 -0.673 18299 3702 1 10 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.705 0.766 18299 3703 1 10 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.382 2.319 18299 3704 1 10 . 1 1 52 52 LEU H H 52 8.993 8.993 7.777 1.216 18299 3705 1 10 . 1 1 53 53 ALA N N 53 118.641 118.641 121.149 -2.508 18299 3706 1 10 . 1 1 53 53 ALA HA H 53 3.913 3.913 4.007 -0.094 18299 3707 1 10 . 1 1 53 53 ALA C C 53 180.677 180.677 179.618 1.059 18299 3708 1 10 . 1 1 53 53 ALA CA C 53 55.035 55.035 54.989 0.046 18299 3709 1 10 . 1 1 53 53 ALA CB C 53 18.169 18.169 17.992 0.177 18299 3710 1 10 . 1 1 53 53 ALA H H 53 7.859 7.859 7.651 0.208 18299 3711 1 10 . 1 1 54 54 THR N N 54 114.407 114.407 116.054 -1.647 18299 3712 1 10 . 1 1 54 54 THR HA H 54 3.662 3.662 4.043 -0.381 18299 3713 1 10 . 1 1 54 54 THR C C 54 175.694 175.694 176.536 -0.842 18299 3714 1 10 . 1 1 54 54 THR CA C 54 67.449 67.449 66.269 1.180 18299 3715 1 10 . 1 1 54 54 THR CB C 54 68.226 68.226 68.662 -0.436 18299 3716 1 10 . 1 1 54 54 THR H H 54 7.688 7.688 7.580 0.108 18299 3717 1 10 . 1 1 55 55 LEU N N 55 119.491 119.491 120.909 -1.418 18299 3718 1 10 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.971 -0.169 18299 3719 1 10 . 1 1 55 55 LEU C C 55 179.660 179.660 178.912 0.748 18299 3720 1 10 . 1 1 55 55 LEU CA C 55 57.851 57.851 58.302 -0.451 18299 3721 1 10 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.558 1.449 18299 3722 1 10 . 1 1 55 55 LEU H H 55 8.104 8.104 8.285 -0.181 18299 3723 1 10 . 1 1 56 56 LYS N N 56 119.317 119.317 118.969 0.348 18299 3724 1 10 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.008 -0.039 18299 3725 1 10 . 1 1 56 56 LYS C C 56 179.227 179.227 179.481 -0.254 18299 3726 1 10 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.139 1.637 18299 3727 1 10 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.692 0.530 18299 3728 1 10 . 1 1 56 56 LYS H H 56 8.333 8.333 7.797 0.536 18299 3729 1 10 . 1 1 57 57 LYS N N 57 120.188 120.188 119.841 0.347 18299 3730 1 10 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.042 0.120 18299 3731 1 10 . 1 1 57 57 LYS C C 57 178.128 178.128 177.793 0.335 18299 3732 1 10 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.050 0.034 18299 3733 1 10 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.263 0.189 18299 3734 1 10 . 1 1 57 57 LYS H H 57 7.646 7.646 7.631 0.015 18299 3735 1 10 . 1 1 58 58 THR N N 58 106.563 106.563 109.149 -2.586 18299 3736 1 10 . 1 1 58 58 THR HA H 58 4.277 4.277 4.381 -0.104 18299 3737 1 10 . 1 1 58 58 THR C C 58 175.933 175.933 175.275 0.658 18299 3738 1 10 . 1 1 58 58 THR CA C 58 63.742 63.742 62.145 1.597 18299 3739 1 10 . 1 1 58 58 THR CB C 58 71.108 71.108 69.684 1.424 18299 3740 1 10 . 1 1 58 58 THR H H 58 7.483 7.483 7.748 -0.265 18299 3741 1 10 . 1 1 59 59 GLY N N 59 108.569 108.569 109.749 -1.180 18299 3742 1 10 . 1 1 59 59 GLY C C 59 173.171 173.171 173.847 -0.676 18299 3743 1 10 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.167 -0.176 18299 3744 1 10 . 1 1 59 59 GLY H H 59 7.774 7.774 7.933 -0.159 18299 3745 1 10 . 1 1 60 60 ALA N N 60 122.420 122.420 124.021 -1.601 18299 3746 1 10 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.434 0.072 18299 3747 1 10 . 1 1 60 60 ALA C C 60 177.155 177.155 176.957 0.198 18299 3748 1 10 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.661 -0.606 18299 3749 1 10 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.915 0.393 18299 3750 1 10 . 1 1 60 60 ALA H H 60 7.524 7.524 7.233 0.291 18299 3751 1 10 . 1 1 61 61 THR N N 61 117.690 117.690 116.600 1.090 18299 3752 1 10 . 1 1 61 61 THR HA H 61 4.321 4.321 4.219 0.102 18299 3753 1 10 . 1 1 61 61 THR C C 61 174.635 174.635 173.910 0.725 18299 3754 1 10 . 1 1 61 61 THR CA C 61 63.922 63.922 62.088 1.834 18299 3755 1 10 . 1 1 61 61 THR CB C 61 68.904 68.904 68.948 -0.044 18299 3756 1 10 . 1 1 61 61 THR H H 61 8.491 8.491 8.355 0.136 18299 3757 1 10 . 1 1 62 62 VAL N N 62 129.030 129.030 125.702 3.328 18299 3758 1 10 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.465 0.849 18299 3759 1 10 . 1 1 62 62 VAL C C 62 174.947 174.947 174.238 0.709 18299 3760 1 10 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.233 0.082 18299 3761 1 10 . 1 1 62 62 VAL CB C 62 35.664 35.664 33.629 2.035 18299 3762 1 10 . 1 1 62 62 VAL H H 62 8.709 8.709 8.296 0.413 18299 3763 1 10 . 1 1 63 63 SER N N 63 119.588 119.588 122.326 -2.738 18299 3764 1 10 . 1 1 63 63 SER HA H 63 4.865 4.865 4.872 -0.007 18299 3765 1 10 . 1 1 63 63 SER C C 63 173.019 173.019 172.829 0.190 18299 3766 1 10 . 1 1 63 63 SER CA C 63 57.347 57.347 57.023 0.325 18299 3767 1 10 . 1 1 63 63 SER CB C 63 65.605 65.605 65.108 0.497 18299 3768 1 10 . 1 1 63 63 SER H H 63 8.988 8.988 8.348 0.640 18299 3769 1 10 . 1 1 64 64 TYR N N 64 125.400 125.400 126.479 -1.079 18299 3770 1 10 . 1 1 64 64 TYR HA H 64 4.579 4.579 4.777 -0.198 18299 3771 1 10 . 1 1 64 64 TYR C C 64 175.523 175.523 174.715 0.808 18299 3772 1 10 . 1 1 64 64 TYR CA C 64 57.454 57.454 57.307 0.147 18299 3773 1 10 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.962 0.060 18299 3774 1 10 . 1 1 64 64 TYR H H 64 9.391 9.391 9.076 0.315 18299 3775 1 10 . 1 1 65 65 LEU N N 65 128.500 128.500 126.007 2.493 18299 3776 1 10 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.189 0.130 18299 3777 1 10 . 1 1 65 65 LEU C C 65 176.473 176.473 177.408 -0.935 18299 3778 1 10 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.008 -0.331 18299 3779 1 10 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.690 -0.632 18299 3780 1 10 . 1 1 65 65 LEU H H 65 8.304 8.304 8.429 -0.125 18299 3781 1 10 . 1 1 66 66 GLY N N 66 105.737 105.737 106.478 -0.741 18299 3782 1 10 . 1 1 66 66 GLY C C 66 171.330 171.330 171.798 -0.468 18299 3783 1 10 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.902 0.134 18299 3784 1 10 . 1 1 66 66 GLY H H 66 5.977 5.977 7.751 -1.774 18299 3785 1 10 . 1 1 67 67 LEU N N 67 120.133 120.133 119.515 0.618 18299 3786 1 10 . 1 1 67 67 LEU HA H 67 4.782 4.782 5.353 -0.571 18299 3787 1 10 . 1 1 67 67 LEU C C 67 177.339 177.339 176.937 0.402 18299 3788 1 10 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.607 0.769 18299 3789 1 10 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.779 -0.898 18299 3790 1 10 . 1 1 67 67 LEU H H 67 7.947 7.947 8.449 -0.502 18299 3791 1 11 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.625 -0.372 18299 3792 1 11 . 1 1 2 2 PRO C C 2 174.299 174.299 175.493 -1.194 18299 3793 1 11 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.632 0.703 18299 3794 1 11 . 1 1 2 2 PRO CB C 2 32.633 32.633 33.176 -0.543 18299 3795 1 11 . 1 1 3 3 LYS N N 3 121.020 121.020 118.878 2.142 18299 3796 1 11 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.482 0.452 18299 3797 1 11 . 1 1 3 3 LYS C C 3 175.055 175.055 175.425 -0.370 18299 3798 1 11 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.898 -1.004 18299 3799 1 11 . 1 1 3 3 LYS CB C 3 34.382 34.382 33.927 0.455 18299 3800 1 11 . 1 1 3 3 LYS H H 3 8.038 8.038 8.608 -0.570 18299 3801 1 11 . 1 1 4 4 HIS N N 4 122.815 122.815 124.157 -1.342 18299 3802 1 11 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.881 0.078 18299 3803 1 11 . 1 1 4 4 HIS C C 4 174.771 174.771 174.034 0.737 18299 3804 1 11 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.257 0.785 18299 3805 1 11 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.181 2.063 18299 3806 1 11 . 1 1 4 4 HIS H H 4 8.908 8.908 8.276 0.632 18299 3807 1 11 . 1 1 5 5 GLU N N 5 122.404 122.404 125.052 -2.648 18299 3808 1 11 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.564 0.729 18299 3809 1 11 . 1 1 5 5 GLU C C 5 174.389 174.389 174.449 -0.060 18299 3810 1 11 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.688 0.160 18299 3811 1 11 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.611 1.131 18299 3812 1 11 . 1 1 5 5 GLU H H 5 8.951 8.951 7.601 1.350 18299 3813 1 11 . 1 1 6 6 PHE N N 6 119.234 119.234 125.367 -6.133 18299 3814 1 11 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.238 -0.053 18299 3815 1 11 . 1 1 6 6 PHE C C 6 175.130 175.130 173.733 1.397 18299 3816 1 11 . 1 1 6 6 PHE CA C 6 56.746 56.746 57.022 -0.276 18299 3817 1 11 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.908 -1.226 18299 3818 1 11 . 1 1 6 6 PHE H H 6 9.075 9.075 8.119 0.956 18299 3819 1 11 . 1 1 7 7 SER N N 7 118.028 118.028 119.123 -1.095 18299 3820 1 11 . 1 1 7 7 SER HA H 7 5.322 5.322 4.730 0.592 18299 3821 1 11 . 1 1 7 7 SER C C 7 174.651 174.651 171.991 2.660 18299 3822 1 11 . 1 1 7 7 SER CA C 7 56.636 56.636 57.161 -0.525 18299 3823 1 11 . 1 1 7 7 SER CB C 7 63.983 63.983 65.137 -1.154 18299 3824 1 11 . 1 1 7 7 SER H H 7 9.346 9.346 7.834 1.512 18299 3825 1 11 . 1 1 8 8 VAL N N 8 125.476 125.476 125.675 -0.199 18299 3826 1 11 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.839 -0.156 18299 3827 1 11 . 1 1 8 8 VAL C C 8 174.360 174.360 174.977 -0.617 18299 3828 1 11 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.509 0.511 18299 3829 1 11 . 1 1 8 8 VAL CB C 8 35.221 35.221 34.768 0.453 18299 3830 1 11 . 1 1 8 8 VAL H H 8 8.129 8.129 8.383 -0.254 18299 3831 1 11 . 1 1 9 9 ASP N N 9 124.989 124.989 127.518 -2.529 18299 3832 1 11 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.692 0.004 18299 3833 1 11 . 1 1 9 9 ASP C C 9 175.278 175.278 175.735 -0.457 18299 3834 1 11 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.626 0.385 18299 3835 1 11 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.745 -1.224 18299 3836 1 11 . 1 1 9 9 ASP H H 9 8.285 8.285 8.161 0.124 18299 3837 1 11 . 1 1 10 10 MET N N 10 125.927 125.927 124.109 1.818 18299 3838 1 11 . 1 1 10 10 MET HA H 10 4.712 4.712 4.414 0.298 18299 3839 1 11 . 1 1 10 10 MET C C 10 175.748 175.748 176.197 -0.449 18299 3840 1 11 . 1 1 10 10 MET CA C 10 54.825 54.825 56.821 -1.996 18299 3841 1 11 . 1 1 10 10 MET CB C 10 34.030 34.030 32.415 1.615 18299 3842 1 11 . 1 1 10 10 MET H H 10 8.096 8.096 8.632 -0.536 18299 3843 1 11 . 1 1 11 11 THR N N 11 116.339 116.339 119.083 -2.744 18299 3844 1 11 . 1 1 11 11 THR HA H 11 4.326 4.326 4.438 -0.112 18299 3845 1 11 . 1 1 11 11 THR C C 11 174.832 174.832 175.128 -0.296 18299 3846 1 11 . 1 1 11 11 THR CA C 11 63.908 63.908 63.569 0.339 18299 3847 1 11 . 1 1 11 11 THR CB C 11 69.529 69.529 69.390 0.139 18299 3848 1 11 . 1 1 11 11 THR H H 11 8.886 8.886 8.765 0.121 18299 3849 1 11 . 1 1 12 12 CYS N N 12 117.534 117.534 122.204 -4.670 18299 3850 1 11 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.767 0.028 18299 3851 1 11 . 1 1 12 12 CYS C C 12 174.892 174.892 177.041 -2.149 18299 3852 1 11 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.489 -0.873 18299 3853 1 11 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.957 1.524 18299 3854 1 11 . 1 1 12 12 CYS H H 12 8.183 8.183 8.181 0.002 18299 3855 1 11 . 1 1 13 13 GLY N N 13 110.516 110.516 111.273 -0.757 18299 3856 1 11 . 1 1 13 13 GLY C C 13 175.328 175.328 176.086 -0.758 18299 3857 1 11 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.877 -1.296 18299 3858 1 11 . 1 1 13 13 GLY H H 13 8.737 8.737 8.376 0.361 18299 3859 1 11 . 1 1 14 14 GLY N N 14 110.521 110.521 108.713 1.808 18299 3860 1 11 . 1 1 14 14 GLY C C 14 175.741 175.741 175.610 0.131 18299 3861 1 11 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.593 -0.586 18299 3862 1 11 . 1 1 14 14 GLY H H 14 8.677 8.677 8.280 0.397 18299 3863 1 11 . 1 1 15 15 CYS N N 15 121.304 121.304 120.307 0.997 18299 3864 1 11 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.299 0.064 18299 3865 1 11 . 1 1 15 15 CYS C C 15 176.557 176.557 176.620 -0.063 18299 3866 1 11 . 1 1 15 15 CYS CA C 15 61.356 61.356 61.336 0.021 18299 3867 1 11 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.884 0.638 18299 3868 1 11 . 1 1 15 15 CYS H H 15 7.853 7.853 8.325 -0.472 18299 3869 1 11 . 1 1 16 16 ALA N N 16 121.907 121.907 122.438 -0.531 18299 3870 1 11 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.075 -0.053 18299 3871 1 11 . 1 1 16 16 ALA C C 16 180.089 180.089 179.161 0.928 18299 3872 1 11 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.082 0.712 18299 3873 1 11 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.031 0.251 18299 3874 1 11 . 1 1 16 16 ALA H H 16 8.196 8.196 8.681 -0.485 18299 3875 1 11 . 1 1 17 17 GLU N N 17 118.976 118.976 119.098 -0.122 18299 3876 1 11 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.026 0.039 18299 3877 1 11 . 1 1 17 17 GLU C C 17 178.541 178.541 178.315 0.226 18299 3878 1 11 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.655 0.025 18299 3879 1 11 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.344 -0.163 18299 3880 1 11 . 1 1 17 17 GLU H H 17 8.518 8.518 7.964 0.554 18299 3881 1 11 . 1 1 18 18 ALA N N 18 122.909 122.909 121.451 1.458 18299 3882 1 11 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.151 -0.062 18299 3883 1 11 . 1 1 18 18 ALA C C 18 179.665 179.665 179.976 -0.311 18299 3884 1 11 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.655 0.429 18299 3885 1 11 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.260 -0.115 18299 3886 1 11 . 1 1 18 18 ALA H H 18 7.863 7.863 7.303 0.560 18299 3887 1 11 . 1 1 19 19 VAL N N 19 118.050 118.050 119.024 -0.974 18299 3888 1 11 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.592 -0.295 18299 3889 1 11 . 1 1 19 19 VAL C C 19 176.602 176.602 177.703 -1.101 18299 3890 1 11 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.001 0.300 18299 3891 1 11 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.286 0.185 18299 3892 1 11 . 1 1 19 19 VAL H H 19 7.989 7.989 7.999 -0.010 18299 3893 1 11 . 1 1 20 20 SER N N 20 113.425 113.425 115.526 -2.101 18299 3894 1 11 . 1 1 20 20 SER HA H 20 4.086 4.086 4.069 0.017 18299 3895 1 11 . 1 1 20 20 SER C C 20 175.600 175.600 176.821 -1.221 18299 3896 1 11 . 1 1 20 20 SER CA C 20 62.064 62.064 61.837 0.227 18299 3897 1 11 . 1 1 20 20 SER CB C 20 62.443 62.443 63.036 -0.593 18299 3898 1 11 . 1 1 20 20 SER H H 20 7.808 7.808 7.781 0.027 18299 3899 1 11 . 1 1 21 21 ARG N N 21 119.858 119.858 122.452 -2.594 18299 3900 1 11 . 1 1 21 21 ARG HA H 21 4.004 4.004 4.042 -0.038 18299 3901 1 11 . 1 1 21 21 ARG C C 21 180.231 180.231 178.573 1.658 18299 3902 1 11 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.079 0.991 18299 3903 1 11 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.922 0.554 18299 3904 1 11 . 1 1 21 21 ARG H H 21 8.086 8.086 7.617 0.469 18299 3905 1 11 . 1 1 22 22 VAL N N 22 112.224 112.224 118.570 -6.346 18299 3906 1 11 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.678 0.344 18299 3907 1 11 . 1 1 22 22 VAL C C 22 179.211 179.211 177.229 1.982 18299 3908 1 11 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.404 -0.459 18299 3909 1 11 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.301 -0.638 18299 3910 1 11 . 1 1 22 22 VAL H H 22 7.943 7.943 7.319 0.624 18299 3911 1 11 . 1 1 23 23 LEU N N 23 122.146 122.146 121.203 0.943 18299 3912 1 11 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.981 0.005 18299 3913 1 11 . 1 1 23 23 LEU C C 23 178.347 178.347 177.677 0.670 18299 3914 1 11 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.526 -0.277 18299 3915 1 11 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.683 -0.833 18299 3916 1 11 . 1 1 23 23 LEU H H 23 7.692 7.692 7.935 -0.243 18299 3917 1 11 . 1 1 24 24 ASN N N 24 118.578 118.578 116.453 2.125 18299 3918 1 11 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.250 0.279 18299 3919 1 11 . 1 1 24 24 ASN C C 24 178.060 178.060 176.457 1.603 18299 3920 1 11 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.124 -0.518 18299 3921 1 11 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.287 -1.095 18299 3922 1 11 . 1 1 24 24 ASN H H 24 8.683 8.683 7.719 0.964 18299 3923 1 11 . 1 1 25 25 LYS N N 25 118.395 118.395 118.506 -0.111 18299 3924 1 11 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.030 0.034 18299 3925 1 11 . 1 1 25 25 LYS C C 25 177.770 177.770 178.622 -0.852 18299 3926 1 11 . 1 1 25 25 LYS CA C 25 58.245 58.245 57.981 0.264 18299 3927 1 11 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.177 0.009 18299 3928 1 11 . 1 1 25 25 LYS H H 25 7.469 7.469 7.607 -0.138 18299 3929 1 11 . 1 1 26 26 LEU N N 26 121.105 121.105 118.380 2.725 18299 3930 1 11 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.246 -0.155 18299 3931 1 11 . 1 1 26 26 LEU C C 26 178.609 178.609 178.206 0.403 18299 3932 1 11 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.397 1.345 18299 3933 1 11 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.139 0.052 18299 3934 1 11 . 1 1 26 26 LEU H H 26 7.209 7.209 7.385 -0.176 18299 3935 1 11 . 1 1 27 27 GLY N N 27 104.036 104.036 104.655 -0.619 18299 3936 1 11 . 1 1 27 27 GLY C C 27 173.508 173.508 175.097 -1.589 18299 3937 1 11 . 1 1 27 27 GLY CA C 27 44.233 44.233 44.994 -0.761 18299 3938 1 11 . 1 1 27 27 GLY H H 27 7.691 7.691 8.379 -0.688 18299 3939 1 11 . 1 1 28 28 GLY N N 28 106.538 106.538 109.012 -2.474 18299 3940 1 11 . 1 1 28 28 GLY C C 28 175.737 175.737 174.008 1.729 18299 3941 1 11 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.724 1.894 18299 3942 1 11 . 1 1 28 28 GLY H H 28 8.603 8.603 7.668 0.935 18299 3943 1 11 . 1 1 29 29 VAL N N 29 112.116 112.116 114.959 -2.843 18299 3944 1 11 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.251 0.698 18299 3945 1 11 . 1 1 29 29 VAL C C 29 174.487 174.487 175.067 -0.580 18299 3946 1 11 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.126 0.612 18299 3947 1 11 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.523 2.991 18299 3948 1 11 . 1 1 29 29 VAL H H 29 7.974 7.974 7.275 0.699 18299 3949 1 11 . 1 1 30 30 LYS N N 30 124.568 124.568 122.258 2.310 18299 3950 1 11 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.331 0.317 18299 3951 1 11 . 1 1 30 30 LYS C C 30 174.964 174.964 175.426 -0.462 18299 3952 1 11 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.377 -1.374 18299 3953 1 11 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.548 2.091 18299 3954 1 11 . 1 1 30 30 LYS H H 30 8.370 8.370 8.546 -0.176 18299 3955 1 11 . 1 1 31 31 TYR N N 31 121.504 121.504 119.684 1.820 18299 3956 1 11 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.480 0.504 18299 3957 1 11 . 1 1 31 31 TYR C C 31 172.758 172.758 173.953 -1.195 18299 3958 1 11 . 1 1 31 31 TYR CA C 31 55.124 55.124 54.436 0.688 18299 3959 1 11 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.657 1.124 18299 3960 1 11 . 1 1 31 31 TYR H H 31 8.531 8.531 8.203 0.328 18299 3961 1 11 . 1 1 32 32 ASP N N 32 119.262 119.262 120.819 -1.557 18299 3962 1 11 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.623 0.369 18299 3963 1 11 . 1 1 32 32 ASP C C 32 174.839 174.839 173.867 0.972 18299 3964 1 11 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.379 -0.096 18299 3965 1 11 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.306 0.545 18299 3966 1 11 . 1 1 32 32 ASP H H 32 8.750 8.750 8.420 0.330 18299 3967 1 11 . 1 1 33 33 ILE N N 33 124.951 124.951 119.402 5.549 18299 3968 1 11 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.572 -0.213 18299 3969 1 11 . 1 1 33 33 ILE C C 33 173.855 173.855 174.748 -0.893 18299 3970 1 11 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.002 1.930 18299 3971 1 11 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.736 -0.102 18299 3972 1 11 . 1 1 33 33 ILE H H 33 9.001 9.001 8.235 0.766 18299 3973 1 11 . 1 1 34 34 ASP N N 34 130.202 130.202 127.749 2.453 18299 3974 1 11 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.077 -0.102 18299 3975 1 11 . 1 1 34 34 ASP C C 34 175.761 175.761 175.826 -0.065 18299 3976 1 11 . 1 1 34 34 ASP CA C 34 51.809 51.809 52.954 -1.145 18299 3977 1 11 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.264 -0.023 18299 3978 1 11 . 1 1 34 34 ASP H H 34 9.033 9.033 8.374 0.659 18299 3979 1 11 . 1 1 35 35 LEU N N 35 123.830 123.830 124.973 -1.143 18299 3980 1 11 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.291 0.019 18299 3981 1 11 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.628 0.234 18299 3982 1 11 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.502 -1.150 18299 3983 1 11 . 1 1 35 35 LEU H H 35 8.888 8.888 8.788 0.100 18299 3984 1 11 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.277 0.019 18299 3985 1 11 . 1 1 36 36 PRO C C 36 177.959 177.959 177.467 0.492 18299 3986 1 11 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.153 1.233 18299 3987 1 11 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.541 -0.048 18299 3988 1 11 . 1 1 37 37 ASN N N 37 110.308 110.308 113.771 -3.463 18299 3989 1 11 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.795 0.104 18299 3990 1 11 . 1 1 37 37 ASN C C 37 172.880 172.880 174.807 -1.927 18299 3991 1 11 . 1 1 37 37 ASN CA C 37 52.608 52.608 53.051 -0.443 18299 3992 1 11 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.760 -1.215 18299 3993 1 11 . 1 1 37 37 ASN H H 37 7.255 7.255 7.472 -0.217 18299 3994 1 11 . 1 1 38 38 LYS N N 38 119.648 119.648 114.628 5.020 18299 3995 1 11 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.860 -0.028 18299 3996 1 11 . 1 1 38 38 LYS C C 38 175.375 175.375 175.027 0.348 18299 3997 1 11 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.474 0.754 18299 3998 1 11 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.381 0.071 18299 3999 1 11 . 1 1 38 38 LYS H H 38 8.328 8.328 7.959 0.369 18299 4000 1 11 . 1 1 39 39 LYS N N 39 116.950 116.950 116.314 0.636 18299 4001 1 11 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.621 1.033 18299 4002 1 11 . 1 1 39 39 LYS C C 39 174.797 174.797 174.258 0.539 18299 4003 1 11 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.119 -0.215 18299 4004 1 11 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.439 0.180 18299 4005 1 11 . 1 1 39 39 LYS H H 39 8.203 8.203 7.520 0.683 18299 4006 1 11 . 1 1 40 40 VAL N N 40 121.279 121.279 120.658 0.621 18299 4007 1 11 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.721 0.253 18299 4008 1 11 . 1 1 40 40 VAL C C 40 173.992 173.992 174.547 -0.555 18299 4009 1 11 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.968 -0.277 18299 4010 1 11 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.021 1.796 18299 4011 1 11 . 1 1 40 40 VAL H H 40 9.115 9.115 8.095 1.020 18299 4012 1 11 . 1 1 41 41 CYS N N 41 126.779 126.779 127.457 -0.678 18299 4013 1 11 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.758 0.877 18299 4014 1 11 . 1 1 41 41 CYS C C 41 174.839 174.839 173.361 1.478 18299 4015 1 11 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.646 -0.675 18299 4016 1 11 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.463 0.676 18299 4017 1 11 . 1 1 41 41 CYS H H 41 8.767 8.767 8.252 0.515 18299 4018 1 11 . 1 1 42 42 ILE N N 42 125.941 125.941 129.421 -3.480 18299 4019 1 11 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.854 0.125 18299 4020 1 11 . 1 1 42 42 ILE C C 42 174.113 174.113 173.348 0.765 18299 4021 1 11 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.886 1.343 18299 4022 1 11 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.513 0.926 18299 4023 1 11 . 1 1 42 42 ILE H H 42 9.697 9.697 8.299 1.398 18299 4024 1 11 . 1 1 43 43 GLU N N 43 130.488 130.488 130.259 0.229 18299 4025 1 11 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.934 0.522 18299 4026 1 11 . 1 1 43 43 GLU C C 43 176.185 176.185 174.544 1.641 18299 4027 1 11 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.397 -0.512 18299 4028 1 11 . 1 1 43 43 GLU CB C 43 32.026 32.026 32.148 -0.122 18299 4029 1 11 . 1 1 43 43 GLU H H 43 9.510 9.510 8.763 0.747 18299 4030 1 11 . 1 1 44 44 SER N N 44 119.391 119.391 121.116 -1.725 18299 4031 1 11 . 1 1 44 44 SER HA H 44 4.868 4.868 4.733 0.135 18299 4032 1 11 . 1 1 44 44 SER C C 44 173.026 173.026 174.514 -1.488 18299 4033 1 11 . 1 1 44 44 SER CA C 44 59.104 59.104 57.109 1.995 18299 4034 1 11 . 1 1 44 44 SER CB C 44 66.159 66.159 66.528 -0.369 18299 4035 1 11 . 1 1 44 44 SER H H 44 8.681 8.681 7.994 0.687 18299 4036 1 11 . 1 1 45 45 GLU N N 45 121.420 121.420 121.665 -0.245 18299 4037 1 11 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.117 0.437 18299 4038 1 11 . 1 1 45 45 GLU C C 45 177.473 177.473 177.221 0.252 18299 4039 1 11 . 1 1 45 45 GLU CA C 45 56.207 56.207 59.435 -3.228 18299 4040 1 11 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.912 -0.061 18299 4041 1 11 . 1 1 45 45 GLU H H 45 9.026 9.026 9.004 0.022 18299 4042 1 11 . 1 1 46 46 HIS N N 46 119.653 119.653 116.706 2.947 18299 4043 1 11 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.588 0.055 18299 4044 1 11 . 1 1 46 46 HIS C C 46 175.514 175.514 174.041 1.473 18299 4045 1 11 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.470 0.445 18299 4046 1 11 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.449 1.276 18299 4047 1 11 . 1 1 46 46 HIS H H 46 8.423 8.423 7.854 0.569 18299 4048 1 11 . 1 1 47 47 SER N N 47 116.562 116.562 115.835 0.727 18299 4049 1 11 . 1 1 47 47 SER HA H 47 4.349 4.349 4.069 0.280 18299 4050 1 11 . 1 1 47 47 SER C C 47 174.638 174.638 173.369 1.269 18299 4051 1 11 . 1 1 47 47 SER CA C 47 57.438 57.438 59.035 -1.597 18299 4052 1 11 . 1 1 47 47 SER CB C 47 65.022 65.022 62.522 2.500 18299 4053 1 11 . 1 1 47 47 SER H H 47 9.093 9.093 8.350 0.743 18299 4054 1 11 . 1 1 48 48 MET N N 48 121.402 121.402 120.093 1.309 18299 4055 1 11 . 1 1 48 48 MET HA H 48 3.412 3.412 4.367 -0.955 18299 4056 1 11 . 1 1 48 48 MET C C 48 177.797 177.797 173.529 4.268 18299 4057 1 11 . 1 1 48 48 MET CA C 48 60.298 60.298 56.257 4.041 18299 4058 1 11 . 1 1 48 48 MET CB C 48 30.776 30.776 33.125 -2.349 18299 4059 1 11 . 1 1 48 48 MET H H 48 8.920 8.920 7.846 1.074 18299 4060 1 11 . 1 1 49 49 ASP N N 49 116.251 116.251 115.275 0.976 18299 4061 1 11 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.446 -0.244 18299 4062 1 11 . 1 1 49 49 ASP C C 49 179.291 179.291 176.324 2.967 18299 4063 1 11 . 1 1 49 49 ASP CA C 49 57.555 57.555 54.824 2.731 18299 4064 1 11 . 1 1 49 49 ASP CB C 49 40.852 40.852 39.553 1.299 18299 4065 1 11 . 1 1 49 49 ASP H H 49 8.345 8.345 8.142 0.203 18299 4066 1 11 . 1 1 50 50 THR N N 50 120.023 120.023 115.668 4.355 18299 4067 1 11 . 1 1 50 50 THR HA H 50 4.305 4.305 4.123 0.182 18299 4068 1 11 . 1 1 50 50 THR C C 50 177.416 177.416 176.052 1.364 18299 4069 1 11 . 1 1 50 50 THR CA C 50 66.392 66.392 65.381 1.011 18299 4070 1 11 . 1 1 50 50 THR CB C 50 68.452 68.452 68.745 -0.293 18299 4071 1 11 . 1 1 50 50 THR H H 50 8.019 8.019 8.046 -0.027 18299 4072 1 11 . 1 1 51 51 LEU N N 51 124.562 124.562 120.399 4.163 18299 4073 1 11 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.990 -0.482 18299 4074 1 11 . 1 1 51 51 LEU C C 51 177.386 177.386 178.418 -1.032 18299 4075 1 11 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.893 0.570 18299 4076 1 11 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.058 2.310 18299 4077 1 11 . 1 1 51 51 LEU H H 51 8.043 8.043 7.917 0.126 18299 4078 1 11 . 1 1 52 52 LEU N N 52 120.718 120.718 116.918 3.800 18299 4079 1 11 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.200 -0.654 18299 4080 1 11 . 1 1 52 52 LEU C C 52 178.065 178.065 178.839 -0.774 18299 4081 1 11 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.528 0.943 18299 4082 1 11 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.594 2.107 18299 4083 1 11 . 1 1 52 52 LEU H H 52 8.993 8.993 7.503 1.490 18299 4084 1 11 . 1 1 53 53 ALA N N 53 118.641 118.641 121.939 -3.298 18299 4085 1 11 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.944 -0.031 18299 4086 1 11 . 1 1 53 53 ALA C C 53 180.677 180.677 179.601 1.076 18299 4087 1 11 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.242 -0.207 18299 4088 1 11 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.016 0.153 18299 4089 1 11 . 1 1 53 53 ALA H H 53 7.859 7.859 7.735 0.124 18299 4090 1 11 . 1 1 54 54 THR N N 54 114.407 114.407 115.451 -1.044 18299 4091 1 11 . 1 1 54 54 THR HA H 54 3.662 3.662 3.979 -0.317 18299 4092 1 11 . 1 1 54 54 THR C C 54 175.694 175.694 176.612 -0.918 18299 4093 1 11 . 1 1 54 54 THR CA C 54 67.449 67.449 67.032 0.417 18299 4094 1 11 . 1 1 54 54 THR CB C 54 68.226 68.226 68.810 -0.584 18299 4095 1 11 . 1 1 54 54 THR H H 54 7.688 7.688 7.500 0.188 18299 4096 1 11 . 1 1 55 55 LEU N N 55 119.491 119.491 121.296 -1.805 18299 4097 1 11 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.000 -0.198 18299 4098 1 11 . 1 1 55 55 LEU C C 55 179.660 179.660 179.123 0.537 18299 4099 1 11 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.911 -0.060 18299 4100 1 11 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.835 1.172 18299 4101 1 11 . 1 1 55 55 LEU H H 55 8.104 8.104 8.049 0.055 18299 4102 1 11 . 1 1 56 56 LYS N N 56 119.317 119.317 118.954 0.363 18299 4103 1 11 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.111 -0.142 18299 4104 1 11 . 1 1 56 56 LYS C C 56 179.227 179.227 179.016 0.211 18299 4105 1 11 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.279 1.497 18299 4106 1 11 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.947 0.275 18299 4107 1 11 . 1 1 56 56 LYS H H 56 8.333 8.333 8.468 -0.135 18299 4108 1 11 . 1 1 57 57 LYS N N 57 120.188 120.188 118.830 1.358 18299 4109 1 11 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.015 0.147 18299 4110 1 11 . 1 1 57 57 LYS C C 57 178.128 178.128 178.154 -0.026 18299 4111 1 11 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.113 -0.030 18299 4112 1 11 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.593 0.859 18299 4113 1 11 . 1 1 57 57 LYS H H 57 7.646 7.646 7.590 0.056 18299 4114 1 11 . 1 1 58 58 THR N N 58 106.563 106.563 109.154 -2.591 18299 4115 1 11 . 1 1 58 58 THR HA H 58 4.277 4.277 4.368 -0.091 18299 4116 1 11 . 1 1 58 58 THR C C 58 175.933 175.933 175.885 0.048 18299 4117 1 11 . 1 1 58 58 THR CA C 58 63.742 63.742 62.775 0.967 18299 4118 1 11 . 1 1 58 58 THR CB C 58 71.108 71.108 69.920 1.188 18299 4119 1 11 . 1 1 58 58 THR H H 58 7.483 7.483 7.651 -0.168 18299 4120 1 11 . 1 1 59 59 GLY N N 59 108.569 108.569 110.714 -2.145 18299 4121 1 11 . 1 1 59 59 GLY C C 59 173.171 173.171 173.722 -0.551 18299 4122 1 11 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.856 0.135 18299 4123 1 11 . 1 1 59 59 GLY H H 59 7.774 7.774 8.193 -0.419 18299 4124 1 11 . 1 1 60 60 ALA N N 60 122.420 122.420 123.895 -1.475 18299 4125 1 11 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.543 -0.037 18299 4126 1 11 . 1 1 60 60 ALA C C 60 177.155 177.155 177.153 0.002 18299 4127 1 11 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.490 -0.435 18299 4128 1 11 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.029 0.279 18299 4129 1 11 . 1 1 60 60 ALA H H 60 7.524 7.524 7.396 0.128 18299 4130 1 11 . 1 1 61 61 THR N N 61 117.690 117.690 115.818 1.872 18299 4131 1 11 . 1 1 61 61 THR HA H 61 4.321 4.321 4.169 0.152 18299 4132 1 11 . 1 1 61 61 THR C C 61 174.635 174.635 173.923 0.712 18299 4133 1 11 . 1 1 61 61 THR CA C 61 63.922 63.922 62.738 1.184 18299 4134 1 11 . 1 1 61 61 THR CB C 61 68.904 68.904 69.200 -0.296 18299 4135 1 11 . 1 1 61 61 THR H H 61 8.491 8.491 8.207 0.284 18299 4136 1 11 . 1 1 62 62 VAL N N 62 129.030 129.030 118.874 10.156 18299 4137 1 11 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.912 0.402 18299 4138 1 11 . 1 1 62 62 VAL C C 62 174.947 174.947 175.230 -0.283 18299 4139 1 11 . 1 1 62 62 VAL CA C 62 60.315 60.315 59.472 0.843 18299 4140 1 11 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.169 0.495 18299 4141 1 11 . 1 1 62 62 VAL H H 62 8.709 8.709 8.019 0.690 18299 4142 1 11 . 1 1 63 63 SER N N 63 119.588 119.588 118.095 1.493 18299 4143 1 11 . 1 1 63 63 SER HA H 63 4.865 4.865 4.536 0.329 18299 4144 1 11 . 1 1 63 63 SER C C 63 173.019 173.019 172.579 0.440 18299 4145 1 11 . 1 1 63 63 SER CA C 63 57.347 57.347 56.761 0.586 18299 4146 1 11 . 1 1 63 63 SER CB C 63 65.605 65.605 64.465 1.140 18299 4147 1 11 . 1 1 63 63 SER H H 63 8.988 8.988 7.394 1.594 18299 4148 1 11 . 1 1 64 64 TYR N N 64 125.400 125.400 130.328 -4.928 18299 4149 1 11 . 1 1 64 64 TYR HA H 64 4.579 4.579 4.979 -0.400 18299 4150 1 11 . 1 1 64 64 TYR C C 64 175.523 175.523 174.771 0.752 18299 4151 1 11 . 1 1 64 64 TYR CA C 64 57.454 57.454 57.954 -0.500 18299 4152 1 11 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.242 0.780 18299 4153 1 11 . 1 1 64 64 TYR H H 64 9.391 9.391 8.966 0.425 18299 4154 1 11 . 1 1 65 65 LEU N N 65 128.500 128.500 130.169 -1.669 18299 4155 1 11 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.023 0.296 18299 4156 1 11 . 1 1 65 65 LEU C C 65 176.473 176.473 176.804 -0.331 18299 4157 1 11 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.470 -0.793 18299 4158 1 11 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.514 -0.456 18299 4159 1 11 . 1 1 65 65 LEU H H 65 8.304 8.304 8.583 -0.279 18299 4160 1 11 . 1 1 66 66 GLY N N 66 105.737 105.737 102.550 3.187 18299 4161 1 11 . 1 1 66 66 GLY C C 66 171.330 171.330 171.772 -0.442 18299 4162 1 11 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.627 0.409 18299 4163 1 11 . 1 1 66 66 GLY H H 66 5.977 5.977 7.078 -1.101 18299 4164 1 11 . 1 1 67 67 LEU N N 67 120.133 120.133 121.214 -1.081 18299 4165 1 11 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.751 0.031 18299 4166 1 11 . 1 1 67 67 LEU C C 67 177.339 177.339 177.472 -0.133 18299 4167 1 11 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.033 0.343 18299 4168 1 11 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.819 -0.938 18299 4169 1 11 . 1 1 67 67 LEU H H 67 7.947 7.947 8.577 -0.630 18299 4170 1 12 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.493 -0.240 18299 4171 1 12 . 1 1 2 2 PRO C C 2 174.299 174.299 175.480 -1.181 18299 4172 1 12 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.851 0.484 18299 4173 1 12 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.132 0.501 18299 4174 1 12 . 1 1 3 3 LYS N N 3 121.020 121.020 119.617 1.403 18299 4175 1 12 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.431 0.503 18299 4176 1 12 . 1 1 3 3 LYS C C 3 175.055 175.055 175.418 -0.363 18299 4177 1 12 . 1 1 3 3 LYS CA C 3 54.894 54.894 56.126 -1.232 18299 4178 1 12 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.043 0.339 18299 4179 1 12 . 1 1 3 3 LYS H H 3 8.038 8.038 8.493 -0.455 18299 4180 1 12 . 1 1 4 4 HIS N N 4 122.815 122.815 121.850 0.965 18299 4181 1 12 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.919 0.040 18299 4182 1 12 . 1 1 4 4 HIS C C 4 174.771 174.771 173.359 1.412 18299 4183 1 12 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.127 0.915 18299 4184 1 12 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.214 2.030 18299 4185 1 12 . 1 1 4 4 HIS H H 4 8.908 8.908 8.703 0.205 18299 4186 1 12 . 1 1 5 5 GLU N N 5 122.404 122.404 126.252 -3.848 18299 4187 1 12 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.984 0.309 18299 4188 1 12 . 1 1 5 5 GLU C C 5 174.389 174.389 175.057 -0.668 18299 4189 1 12 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.715 0.133 18299 4190 1 12 . 1 1 5 5 GLU CB C 5 32.742 32.742 33.004 -0.262 18299 4191 1 12 . 1 1 5 5 GLU H H 5 8.951 8.951 8.763 0.188 18299 4192 1 12 . 1 1 6 6 PHE N N 6 119.234 119.234 124.308 -5.074 18299 4193 1 12 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.002 0.183 18299 4194 1 12 . 1 1 6 6 PHE C C 6 175.130 175.130 174.146 0.984 18299 4195 1 12 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.444 0.302 18299 4196 1 12 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.793 -1.111 18299 4197 1 12 . 1 1 6 6 PHE H H 6 9.075 9.075 8.482 0.593 18299 4198 1 12 . 1 1 7 7 SER N N 7 118.028 118.028 118.275 -0.247 18299 4199 1 12 . 1 1 7 7 SER HA H 7 5.322 5.322 4.749 0.573 18299 4200 1 12 . 1 1 7 7 SER C C 7 174.651 174.651 172.522 2.129 18299 4201 1 12 . 1 1 7 7 SER CA C 7 56.636 56.636 57.777 -1.141 18299 4202 1 12 . 1 1 7 7 SER CB C 7 63.983 63.983 64.144 -0.161 18299 4203 1 12 . 1 1 7 7 SER H H 7 9.346 9.346 8.957 0.389 18299 4204 1 12 . 1 1 8 8 VAL N N 8 125.476 125.476 125.585 -0.109 18299 4205 1 12 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.790 -0.107 18299 4206 1 12 . 1 1 8 8 VAL C C 8 174.360 174.360 174.196 0.164 18299 4207 1 12 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.973 1.047 18299 4208 1 12 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.470 -0.249 18299 4209 1 12 . 1 1 8 8 VAL H H 8 8.129 8.129 8.501 -0.372 18299 4210 1 12 . 1 1 9 9 ASP N N 9 124.989 124.989 129.806 -4.817 18299 4211 1 12 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.816 -0.120 18299 4212 1 12 . 1 1 9 9 ASP C C 9 175.278 175.278 175.544 -0.266 18299 4213 1 12 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.898 0.113 18299 4214 1 12 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.870 -1.349 18299 4215 1 12 . 1 1 9 9 ASP H H 9 8.285 8.285 8.115 0.170 18299 4216 1 12 . 1 1 10 10 MET N N 10 125.927 125.927 123.440 2.487 18299 4217 1 12 . 1 1 10 10 MET HA H 10 4.712 4.712 4.640 0.072 18299 4218 1 12 . 1 1 10 10 MET C C 10 175.748 175.748 175.878 -0.130 18299 4219 1 12 . 1 1 10 10 MET CA C 10 54.825 54.825 55.114 -0.289 18299 4220 1 12 . 1 1 10 10 MET CB C 10 34.030 34.030 31.370 2.660 18299 4221 1 12 . 1 1 10 10 MET H H 10 8.096 8.096 8.577 -0.481 18299 4222 1 12 . 1 1 11 11 THR N N 11 116.339 116.339 118.843 -2.504 18299 4223 1 12 . 1 1 11 11 THR HA H 11 4.326 4.326 4.527 -0.201 18299 4224 1 12 . 1 1 11 11 THR C C 11 174.832 174.832 175.249 -0.417 18299 4225 1 12 . 1 1 11 11 THR CA C 11 63.908 63.908 63.289 0.619 18299 4226 1 12 . 1 1 11 11 THR CB C 11 69.529 69.529 69.809 -0.280 18299 4227 1 12 . 1 1 11 11 THR H H 11 8.886 8.886 8.828 0.058 18299 4228 1 12 . 1 1 12 12 CYS N N 12 117.534 117.534 122.312 -4.778 18299 4229 1 12 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.687 0.108 18299 4230 1 12 . 1 1 12 12 CYS C C 12 174.892 174.892 176.457 -1.565 18299 4231 1 12 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.758 -1.143 18299 4232 1 12 . 1 1 12 12 CYS CB C 12 29.481 29.481 26.924 2.557 18299 4233 1 12 . 1 1 12 12 CYS H H 12 8.183 8.183 8.359 -0.176 18299 4234 1 12 . 1 1 13 13 GLY N N 13 110.516 110.516 111.027 -0.511 18299 4235 1 12 . 1 1 13 13 GLY C C 13 175.328 175.328 176.069 -0.741 18299 4236 1 12 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.786 -1.205 18299 4237 1 12 . 1 1 13 13 GLY H H 13 8.737 8.737 8.351 0.386 18299 4238 1 12 . 1 1 14 14 GLY N N 14 110.521 110.521 108.713 1.808 18299 4239 1 12 . 1 1 14 14 GLY C C 14 175.741 175.741 175.937 -0.196 18299 4240 1 12 . 1 1 14 14 GLY CA C 14 46.006 46.006 47.000 -0.994 18299 4241 1 12 . 1 1 14 14 GLY H H 14 8.677 8.677 8.553 0.124 18299 4242 1 12 . 1 1 15 15 CYS N N 15 121.304 121.304 120.630 0.674 18299 4243 1 12 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.552 -0.189 18299 4244 1 12 . 1 1 15 15 CYS C C 15 176.557 176.557 176.557 0.000 18299 4245 1 12 . 1 1 15 15 CYS CA C 15 61.356 61.356 59.023 2.333 18299 4246 1 12 . 1 1 15 15 CYS CB C 15 28.522 28.522 26.601 1.921 18299 4247 1 12 . 1 1 15 15 CYS H H 15 7.853 7.853 8.304 -0.451 18299 4248 1 12 . 1 1 16 16 ALA N N 16 121.907 121.907 123.805 -1.898 18299 4249 1 12 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.114 -0.092 18299 4250 1 12 . 1 1 16 16 ALA C C 16 180.089 180.089 179.368 0.721 18299 4251 1 12 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.981 0.813 18299 4252 1 12 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.045 0.237 18299 4253 1 12 . 1 1 16 16 ALA H H 16 8.196 8.196 8.722 -0.526 18299 4254 1 12 . 1 1 17 17 GLU N N 17 118.976 118.976 118.949 0.027 18299 4255 1 12 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.037 0.028 18299 4256 1 12 . 1 1 17 17 GLU C C 17 178.541 178.541 178.254 0.287 18299 4257 1 12 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.556 0.124 18299 4258 1 12 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.351 -0.170 18299 4259 1 12 . 1 1 17 17 GLU H H 17 8.518 8.518 7.923 0.595 18299 4260 1 12 . 1 1 18 18 ALA N N 18 122.909 122.909 120.867 2.042 18299 4261 1 12 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.105 -0.016 18299 4262 1 12 . 1 1 18 18 ALA C C 18 179.665 179.665 179.955 -0.290 18299 4263 1 12 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.711 0.373 18299 4264 1 12 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.146 -0.001 18299 4265 1 12 . 1 1 18 18 ALA H H 18 7.863 7.863 7.403 0.460 18299 4266 1 12 . 1 1 19 19 VAL N N 19 118.050 118.050 119.581 -1.531 18299 4267 1 12 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.627 -0.330 18299 4268 1 12 . 1 1 19 19 VAL C C 19 176.602 176.602 178.172 -1.570 18299 4269 1 12 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.945 0.356 18299 4270 1 12 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.269 0.202 18299 4271 1 12 . 1 1 19 19 VAL H H 19 7.989 7.989 8.068 -0.079 18299 4272 1 12 . 1 1 20 20 SER N N 20 113.425 113.425 115.664 -2.239 18299 4273 1 12 . 1 1 20 20 SER HA H 20 4.086 4.086 4.101 -0.015 18299 4274 1 12 . 1 1 20 20 SER C C 20 175.600 175.600 176.915 -1.315 18299 4275 1 12 . 1 1 20 20 SER CA C 20 62.064 62.064 61.706 0.358 18299 4276 1 12 . 1 1 20 20 SER CB C 20 62.443 62.443 62.906 -0.463 18299 4277 1 12 . 1 1 20 20 SER H H 20 7.808 7.808 7.803 0.005 18299 4278 1 12 . 1 1 21 21 ARG N N 21 119.858 119.858 121.832 -1.974 18299 4279 1 12 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.952 0.052 18299 4280 1 12 . 1 1 21 21 ARG C C 21 180.231 180.231 178.605 1.626 18299 4281 1 12 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.789 1.281 18299 4282 1 12 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.921 0.555 18299 4283 1 12 . 1 1 21 21 ARG H H 21 8.086 8.086 7.577 0.509 18299 4284 1 12 . 1 1 22 22 VAL N N 22 112.224 112.224 117.996 -5.772 18299 4285 1 12 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.708 0.314 18299 4286 1 12 . 1 1 22 22 VAL C C 22 179.211 179.211 176.863 2.348 18299 4287 1 12 . 1 1 22 22 VAL CA C 22 64.946 64.946 64.956 -0.010 18299 4288 1 12 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.445 -0.782 18299 4289 1 12 . 1 1 22 22 VAL H H 22 7.943 7.943 7.538 0.405 18299 4290 1 12 . 1 1 23 23 LEU N N 23 122.146 122.146 122.410 -0.264 18299 4291 1 12 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.029 -0.043 18299 4292 1 12 . 1 1 23 23 LEU C C 23 178.347 178.347 178.176 0.171 18299 4293 1 12 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.383 -0.134 18299 4294 1 12 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.439 -0.589 18299 4295 1 12 . 1 1 23 23 LEU H H 23 7.692 7.692 8.023 -0.331 18299 4296 1 12 . 1 1 24 24 ASN N N 24 118.578 118.578 116.654 1.924 18299 4297 1 12 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.311 0.218 18299 4298 1 12 . 1 1 24 24 ASN C C 24 178.060 178.060 176.830 1.230 18299 4299 1 12 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.196 -0.590 18299 4300 1 12 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.093 -0.901 18299 4301 1 12 . 1 1 24 24 ASN H H 24 8.683 8.683 7.943 0.740 18299 4302 1 12 . 1 1 25 25 LYS N N 25 118.395 118.395 119.627 -1.232 18299 4303 1 12 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.083 -0.019 18299 4304 1 12 . 1 1 25 25 LYS C C 25 177.770 177.770 178.736 -0.966 18299 4305 1 12 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.557 -0.312 18299 4306 1 12 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.318 -0.132 18299 4307 1 12 . 1 1 25 25 LYS H H 25 7.469 7.469 7.470 -0.001 18299 4308 1 12 . 1 1 26 26 LEU N N 26 121.105 121.105 118.853 2.252 18299 4309 1 12 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.176 -0.085 18299 4310 1 12 . 1 1 26 26 LEU C C 26 178.609 178.609 177.745 0.864 18299 4311 1 12 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.516 1.226 18299 4312 1 12 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.975 0.216 18299 4313 1 12 . 1 1 26 26 LEU H H 26 7.209 7.209 7.421 -0.212 18299 4314 1 12 . 1 1 27 27 GLY N N 27 104.036 104.036 102.540 1.496 18299 4315 1 12 . 1 1 27 27 GLY C C 27 173.508 173.508 174.821 -1.313 18299 4316 1 12 . 1 1 27 27 GLY CA C 27 44.233 44.233 44.959 -0.726 18299 4317 1 12 . 1 1 27 27 GLY H H 27 7.691 7.691 8.181 -0.490 18299 4318 1 12 . 1 1 28 28 GLY N N 28 106.538 106.538 108.658 -2.120 18299 4319 1 12 . 1 1 28 28 GLY C C 28 175.737 175.737 174.019 1.718 18299 4320 1 12 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.011 1.607 18299 4321 1 12 . 1 1 28 28 GLY H H 28 8.603 8.603 7.708 0.895 18299 4322 1 12 . 1 1 29 29 VAL N N 29 112.116 112.116 116.155 -4.039 18299 4323 1 12 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.481 0.468 18299 4324 1 12 . 1 1 29 29 VAL C C 29 174.487 174.487 175.796 -1.309 18299 4325 1 12 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.981 0.757 18299 4326 1 12 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.783 2.731 18299 4327 1 12 . 1 1 29 29 VAL H H 29 7.974 7.974 7.475 0.499 18299 4328 1 12 . 1 1 30 30 LYS N N 30 124.568 124.568 120.173 4.395 18299 4329 1 12 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.330 0.318 18299 4330 1 12 . 1 1 30 30 LYS C C 30 174.964 174.964 175.443 -0.479 18299 4331 1 12 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.641 -1.638 18299 4332 1 12 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.455 2.184 18299 4333 1 12 . 1 1 30 30 LYS H H 30 8.370 8.370 8.645 -0.275 18299 4334 1 12 . 1 1 31 31 TYR N N 31 121.504 121.504 118.104 3.400 18299 4335 1 12 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.501 0.483 18299 4336 1 12 . 1 1 31 31 TYR C C 31 172.758 172.758 173.759 -1.001 18299 4337 1 12 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.909 -0.785 18299 4338 1 12 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.874 0.907 18299 4339 1 12 . 1 1 31 31 TYR H H 31 8.531 8.531 8.339 0.192 18299 4340 1 12 . 1 1 32 32 ASP N N 32 119.262 119.262 120.888 -1.626 18299 4341 1 12 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.598 0.394 18299 4342 1 12 . 1 1 32 32 ASP C C 32 174.839 174.839 174.027 0.812 18299 4343 1 12 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.823 -0.540 18299 4344 1 12 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.613 0.238 18299 4345 1 12 . 1 1 32 32 ASP H H 32 8.750 8.750 8.507 0.243 18299 4346 1 12 . 1 1 33 33 ILE N N 33 124.951 124.951 120.293 4.658 18299 4347 1 12 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.576 -0.217 18299 4348 1 12 . 1 1 33 33 ILE C C 33 173.855 173.855 174.440 -0.585 18299 4349 1 12 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.852 2.080 18299 4350 1 12 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.032 0.601 18299 4351 1 12 . 1 1 33 33 ILE H H 33 9.001 9.001 8.352 0.649 18299 4352 1 12 . 1 1 34 34 ASP N N 34 130.202 130.202 128.823 1.379 18299 4353 1 12 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.003 -0.028 18299 4354 1 12 . 1 1 34 34 ASP C C 34 175.761 175.761 175.923 -0.162 18299 4355 1 12 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.497 -1.688 18299 4356 1 12 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.840 -0.599 18299 4357 1 12 . 1 1 34 34 ASP H H 34 9.033 9.033 8.750 0.283 18299 4358 1 12 . 1 1 35 35 LEU N N 35 123.830 123.830 124.621 -0.791 18299 4359 1 12 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.238 0.072 18299 4360 1 12 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.274 0.588 18299 4361 1 12 . 1 1 35 35 LEU CB C 35 39.352 39.352 39.645 -0.292 18299 4362 1 12 . 1 1 35 35 LEU H H 35 8.888 8.888 8.721 0.167 18299 4363 1 12 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.259 0.037 18299 4364 1 12 . 1 1 36 36 PRO C C 36 177.959 177.959 177.572 0.387 18299 4365 1 12 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.212 1.174 18299 4366 1 12 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.005 0.489 18299 4367 1 12 . 1 1 37 37 ASN N N 37 110.308 110.308 113.909 -3.601 18299 4368 1 12 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.749 0.150 18299 4369 1 12 . 1 1 37 37 ASN C C 37 172.880 172.880 174.574 -1.694 18299 4370 1 12 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.856 -0.248 18299 4371 1 12 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.201 -0.656 18299 4372 1 12 . 1 1 37 37 ASN H H 37 7.255 7.255 8.358 -1.103 18299 4373 1 12 . 1 1 38 38 LYS N N 38 119.648 119.648 116.199 3.449 18299 4374 1 12 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.913 -0.081 18299 4375 1 12 . 1 1 38 38 LYS C C 38 175.375 175.375 174.973 0.402 18299 4376 1 12 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.177 1.051 18299 4377 1 12 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.504 -0.052 18299 4378 1 12 . 1 1 38 38 LYS H H 38 8.328 8.328 7.686 0.642 18299 4379 1 12 . 1 1 39 39 LYS N N 39 116.950 116.950 116.509 0.441 18299 4380 1 12 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.695 0.959 18299 4381 1 12 . 1 1 39 39 LYS C C 39 174.797 174.797 174.402 0.395 18299 4382 1 12 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.935 -0.031 18299 4383 1 12 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.273 0.346 18299 4384 1 12 . 1 1 39 39 LYS H H 39 8.203 8.203 7.584 0.619 18299 4385 1 12 . 1 1 40 40 VAL N N 40 121.279 121.279 121.264 0.015 18299 4386 1 12 . 1 1 40 40 VAL HA H 40 4.974 4.974 5.031 -0.057 18299 4387 1 12 . 1 1 40 40 VAL C C 40 173.992 173.992 174.632 -0.640 18299 4388 1 12 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.967 -0.276 18299 4389 1 12 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.889 0.928 18299 4390 1 12 . 1 1 40 40 VAL H H 40 9.115 9.115 8.125 0.990 18299 4391 1 12 . 1 1 41 41 CYS N N 41 126.779 126.779 126.187 0.592 18299 4392 1 12 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.970 0.665 18299 4393 1 12 . 1 1 41 41 CYS C C 41 174.839 174.839 173.709 1.130 18299 4394 1 12 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.227 -0.256 18299 4395 1 12 . 1 1 41 41 CYS CB C 41 29.139 29.139 27.923 1.216 18299 4396 1 12 . 1 1 41 41 CYS H H 41 8.767 8.767 8.564 0.203 18299 4397 1 12 . 1 1 42 42 ILE N N 42 125.941 125.941 123.700 2.241 18299 4398 1 12 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.964 0.015 18299 4399 1 12 . 1 1 42 42 ILE C C 42 174.113 174.113 173.635 0.478 18299 4400 1 12 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.169 2.060 18299 4401 1 12 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.751 0.688 18299 4402 1 12 . 1 1 42 42 ILE H H 42 9.697 9.697 9.150 0.547 18299 4403 1 12 . 1 1 43 43 GLU N N 43 130.488 130.488 129.821 0.667 18299 4404 1 12 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.812 0.644 18299 4405 1 12 . 1 1 43 43 GLU C C 43 176.185 176.185 174.544 1.641 18299 4406 1 12 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.359 -0.474 18299 4407 1 12 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.674 0.352 18299 4408 1 12 . 1 1 43 43 GLU H H 43 9.510 9.510 8.368 1.142 18299 4409 1 12 . 1 1 44 44 SER N N 44 119.391 119.391 121.623 -2.232 18299 4410 1 12 . 1 1 44 44 SER HA H 44 4.868 4.868 4.785 0.083 18299 4411 1 12 . 1 1 44 44 SER C C 44 173.026 173.026 175.027 -2.001 18299 4412 1 12 . 1 1 44 44 SER CA C 44 59.104 59.104 56.580 2.525 18299 4413 1 12 . 1 1 44 44 SER CB C 44 66.159 66.159 64.670 1.489 18299 4414 1 12 . 1 1 44 44 SER H H 44 8.681 8.681 8.663 0.018 18299 4415 1 12 . 1 1 45 45 GLU N N 45 121.420 121.420 122.302 -0.882 18299 4416 1 12 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.427 0.127 18299 4417 1 12 . 1 1 45 45 GLU C C 45 177.473 177.473 176.875 0.598 18299 4418 1 12 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.313 -2.106 18299 4419 1 12 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.754 0.097 18299 4420 1 12 . 1 1 45 45 GLU H H 45 9.026 9.026 8.807 0.219 18299 4421 1 12 . 1 1 46 46 HIS N N 46 119.653 119.653 118.051 1.602 18299 4422 1 12 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.627 0.016 18299 4423 1 12 . 1 1 46 46 HIS C C 46 175.514 175.514 174.776 0.738 18299 4424 1 12 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.532 0.383 18299 4425 1 12 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.231 0.494 18299 4426 1 12 . 1 1 46 46 HIS H H 46 8.423 8.423 7.909 0.514 18299 4427 1 12 . 1 1 47 47 SER N N 47 116.562 116.562 114.856 1.706 18299 4428 1 12 . 1 1 47 47 SER HA H 47 4.349 4.349 4.245 0.104 18299 4429 1 12 . 1 1 47 47 SER C C 47 174.638 174.638 174.191 0.447 18299 4430 1 12 . 1 1 47 47 SER CA C 47 57.438 57.438 59.743 -2.305 18299 4431 1 12 . 1 1 47 47 SER CB C 47 65.022 65.022 63.036 1.986 18299 4432 1 12 . 1 1 47 47 SER H H 47 9.093 9.093 8.209 0.884 18299 4433 1 12 . 1 1 48 48 MET N N 48 121.402 121.402 122.554 -1.152 18299 4434 1 12 . 1 1 48 48 MET HA H 48 3.412 3.412 4.065 -0.653 18299 4435 1 12 . 1 1 48 48 MET C C 48 177.797 177.797 174.380 3.417 18299 4436 1 12 . 1 1 48 48 MET CA C 48 60.298 60.298 56.242 4.056 18299 4437 1 12 . 1 1 48 48 MET CB C 48 30.776 30.776 32.678 -1.901 18299 4438 1 12 . 1 1 48 48 MET H H 48 8.920 8.920 8.079 0.841 18299 4439 1 12 . 1 1 49 49 ASP N N 49 116.251 116.251 116.838 -0.587 18299 4440 1 12 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.405 -0.203 18299 4441 1 12 . 1 1 49 49 ASP C C 49 179.291 179.291 176.818 2.473 18299 4442 1 12 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.194 2.361 18299 4443 1 12 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.183 0.669 18299 4444 1 12 . 1 1 49 49 ASP H H 49 8.345 8.345 8.029 0.316 18299 4445 1 12 . 1 1 50 50 THR N N 50 120.023 120.023 115.875 4.148 18299 4446 1 12 . 1 1 50 50 THR HA H 50 4.305 4.305 4.093 0.212 18299 4447 1 12 . 1 1 50 50 THR C C 50 177.416 177.416 175.743 1.673 18299 4448 1 12 . 1 1 50 50 THR CA C 50 66.392 66.392 65.099 1.293 18299 4449 1 12 . 1 1 50 50 THR CB C 50 68.452 68.452 68.494 -0.042 18299 4450 1 12 . 1 1 50 50 THR H H 50 8.019 8.019 7.876 0.143 18299 4451 1 12 . 1 1 51 51 LEU N N 51 124.562 124.562 120.634 3.928 18299 4452 1 12 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.921 -0.413 18299 4453 1 12 . 1 1 51 51 LEU C C 51 177.386 177.386 178.793 -1.407 18299 4454 1 12 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.259 0.204 18299 4455 1 12 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.945 2.423 18299 4456 1 12 . 1 1 51 51 LEU H H 51 8.043 8.043 7.488 0.555 18299 4457 1 12 . 1 1 52 52 LEU N N 52 120.718 120.718 116.760 3.958 18299 4458 1 12 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.963 -0.417 18299 4459 1 12 . 1 1 52 52 LEU C C 52 178.065 178.065 178.792 -0.727 18299 4460 1 12 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.872 0.599 18299 4461 1 12 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.324 2.377 18299 4462 1 12 . 1 1 52 52 LEU H H 52 8.993 8.993 7.656 1.337 18299 4463 1 12 . 1 1 53 53 ALA N N 53 118.641 118.641 121.796 -3.155 18299 4464 1 12 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.910 0.003 18299 4465 1 12 . 1 1 53 53 ALA C C 53 180.677 180.677 179.601 1.076 18299 4466 1 12 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.146 -0.111 18299 4467 1 12 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.057 0.112 18299 4468 1 12 . 1 1 53 53 ALA H H 53 7.859 7.859 7.672 0.187 18299 4469 1 12 . 1 1 54 54 THR N N 54 114.407 114.407 115.807 -1.400 18299 4470 1 12 . 1 1 54 54 THR HA H 54 3.662 3.662 3.961 -0.299 18299 4471 1 12 . 1 1 54 54 THR C C 54 175.694 175.694 176.485 -0.791 18299 4472 1 12 . 1 1 54 54 THR CA C 54 67.449 67.449 67.295 0.154 18299 4473 1 12 . 1 1 54 54 THR CB C 54 68.226 68.226 68.930 -0.704 18299 4474 1 12 . 1 1 54 54 THR H H 54 7.688 7.688 7.511 0.177 18299 4475 1 12 . 1 1 55 55 LEU N N 55 119.491 119.491 121.209 -1.718 18299 4476 1 12 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.047 -0.245 18299 4477 1 12 . 1 1 55 55 LEU C C 55 179.660 179.660 178.530 1.130 18299 4478 1 12 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.873 -0.021 18299 4479 1 12 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.620 1.387 18299 4480 1 12 . 1 1 55 55 LEU H H 55 8.104 8.104 8.485 -0.381 18299 4481 1 12 . 1 1 56 56 LYS N N 56 119.317 119.317 117.086 2.231 18299 4482 1 12 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.148 -0.179 18299 4483 1 12 . 1 1 56 56 LYS C C 56 179.227 179.227 179.528 -0.301 18299 4484 1 12 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.273 1.502 18299 4485 1 12 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.092 0.130 18299 4486 1 12 . 1 1 56 56 LYS H H 56 8.333 8.333 8.466 -0.133 18299 4487 1 12 . 1 1 57 57 LYS N N 57 120.188 120.188 120.528 -0.340 18299 4488 1 12 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.100 0.062 18299 4489 1 12 . 1 1 57 57 LYS C C 57 178.128 178.128 177.609 0.519 18299 4490 1 12 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.923 0.160 18299 4491 1 12 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.151 0.301 18299 4492 1 12 . 1 1 57 57 LYS H H 57 7.646 7.646 7.445 0.201 18299 4493 1 12 . 1 1 58 58 THR N N 58 106.563 106.563 110.549 -3.986 18299 4494 1 12 . 1 1 58 58 THR HA H 58 4.277 4.277 4.394 -0.117 18299 4495 1 12 . 1 1 58 58 THR C C 58 175.933 175.933 174.688 1.245 18299 4496 1 12 . 1 1 58 58 THR CA C 58 63.742 63.742 61.601 2.141 18299 4497 1 12 . 1 1 58 58 THR CB C 58 71.108 71.108 68.694 2.414 18299 4498 1 12 . 1 1 58 58 THR H H 58 7.483 7.483 7.811 -0.328 18299 4499 1 12 . 1 1 59 59 GLY N N 59 108.569 108.569 109.761 -1.192 18299 4500 1 12 . 1 1 59 59 GLY C C 59 173.171 173.171 174.444 -1.273 18299 4501 1 12 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.707 -0.716 18299 4502 1 12 . 1 1 59 59 GLY H H 59 7.774 7.774 7.688 0.086 18299 4503 1 12 . 1 1 60 60 ALA N N 60 122.420 122.420 122.039 0.381 18299 4504 1 12 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.305 0.201 18299 4505 1 12 . 1 1 60 60 ALA C C 60 177.155 177.155 177.089 0.066 18299 4506 1 12 . 1 1 60 60 ALA CA C 60 51.055 51.055 52.048 -0.993 18299 4507 1 12 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.052 0.256 18299 4508 1 12 . 1 1 60 60 ALA H H 60 7.524 7.524 7.341 0.183 18299 4509 1 12 . 1 1 61 61 THR N N 61 117.690 117.690 114.859 2.831 18299 4510 1 12 . 1 1 61 61 THR HA H 61 4.321 4.321 4.200 0.121 18299 4511 1 12 . 1 1 61 61 THR C C 61 174.635 174.635 173.789 0.846 18299 4512 1 12 . 1 1 61 61 THR CA C 61 63.922 63.922 63.044 0.878 18299 4513 1 12 . 1 1 61 61 THR CB C 61 68.904 68.904 69.551 -0.647 18299 4514 1 12 . 1 1 61 61 THR H H 61 8.491 8.491 8.561 -0.070 18299 4515 1 12 . 1 1 62 62 VAL N N 62 129.030 129.030 127.302 1.728 18299 4516 1 12 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.599 0.715 18299 4517 1 12 . 1 1 62 62 VAL C C 62 174.947 174.947 174.541 0.406 18299 4518 1 12 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.352 -0.038 18299 4519 1 12 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.881 0.783 18299 4520 1 12 . 1 1 62 62 VAL H H 62 8.709 8.709 8.192 0.517 18299 4521 1 12 . 1 1 63 63 SER N N 63 119.588 119.588 125.022 -5.434 18299 4522 1 12 . 1 1 63 63 SER HA H 63 4.865 4.865 4.685 0.180 18299 4523 1 12 . 1 1 63 63 SER C C 63 173.019 173.019 172.459 0.560 18299 4524 1 12 . 1 1 63 63 SER CA C 63 57.347 57.347 57.056 0.291 18299 4525 1 12 . 1 1 63 63 SER CB C 63 65.605 65.605 64.876 0.729 18299 4526 1 12 . 1 1 63 63 SER H H 63 8.988 8.988 8.811 0.177 18299 4527 1 12 . 1 1 64 64 TYR N N 64 125.400 125.400 126.993 -1.593 18299 4528 1 12 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.222 1.357 18299 4529 1 12 . 1 1 64 64 TYR C C 64 175.523 175.523 174.397 1.126 18299 4530 1 12 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.905 0.549 18299 4531 1 12 . 1 1 64 64 TYR CB C 64 39.022 39.022 37.753 1.269 18299 4532 1 12 . 1 1 64 64 TYR H H 64 9.391 9.391 8.699 0.692 18299 4533 1 12 . 1 1 65 65 LEU N N 65 128.500 128.500 128.560 -0.060 18299 4534 1 12 . 1 1 65 65 LEU HA H 65 4.319 4.319 3.951 0.368 18299 4535 1 12 . 1 1 65 65 LEU C C 65 176.473 176.473 177.521 -1.048 18299 4536 1 12 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.599 -0.922 18299 4537 1 12 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.585 -0.527 18299 4538 1 12 . 1 1 65 65 LEU H H 65 8.304 8.304 8.254 0.050 18299 4539 1 12 . 1 1 66 66 GLY N N 66 105.737 105.737 104.717 1.020 18299 4540 1 12 . 1 1 66 66 GLY C C 66 171.330 171.330 172.283 -0.953 18299 4541 1 12 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.435 0.601 18299 4542 1 12 . 1 1 66 66 GLY H H 66 5.977 5.977 7.671 -1.694 18299 4543 1 12 . 1 1 67 67 LEU N N 67 120.133 120.133 120.417 -0.284 18299 4544 1 12 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.530 0.252 18299 4545 1 12 . 1 1 67 67 LEU C C 67 177.339 177.339 177.271 0.068 18299 4546 1 12 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.127 0.249 18299 4547 1 12 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.078 0.803 18299 4548 1 12 . 1 1 67 67 LEU H H 67 7.947 7.947 8.523 -0.576 18299 4549 1 13 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.409 -0.156 18299 4550 1 13 . 1 1 2 2 PRO C C 2 174.299 174.299 175.231 -0.932 18299 4551 1 13 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.936 0.399 18299 4552 1 13 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.143 0.490 18299 4553 1 13 . 1 1 3 3 LYS N N 3 121.020 121.020 121.520 -0.500 18299 4554 1 13 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.550 0.384 18299 4555 1 13 . 1 1 3 3 LYS C C 3 175.055 175.055 175.147 -0.092 18299 4556 1 13 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.961 -1.067 18299 4557 1 13 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.003 0.379 18299 4558 1 13 . 1 1 3 3 LYS H H 3 8.038 8.038 8.431 -0.393 18299 4559 1 13 . 1 1 4 4 HIS N N 4 122.815 122.815 124.177 -1.362 18299 4560 1 13 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.907 0.052 18299 4561 1 13 . 1 1 4 4 HIS C C 4 174.771 174.771 173.458 1.313 18299 4562 1 13 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.384 0.658 18299 4563 1 13 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.450 1.794 18299 4564 1 13 . 1 1 4 4 HIS H H 4 8.908 8.908 8.651 0.257 18299 4565 1 13 . 1 1 5 5 GLU N N 5 122.404 122.404 125.422 -3.018 18299 4566 1 13 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.718 0.575 18299 4567 1 13 . 1 1 5 5 GLU C C 5 174.389 174.389 174.654 -0.265 18299 4568 1 13 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.805 0.043 18299 4569 1 13 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.397 0.345 18299 4570 1 13 . 1 1 5 5 GLU H H 5 8.951 8.951 8.884 0.067 18299 4571 1 13 . 1 1 6 6 PHE N N 6 119.234 119.234 124.345 -5.111 18299 4572 1 13 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.826 0.359 18299 4573 1 13 . 1 1 6 6 PHE C C 6 175.130 175.130 173.800 1.330 18299 4574 1 13 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.786 -0.040 18299 4575 1 13 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.832 -1.150 18299 4576 1 13 . 1 1 6 6 PHE H H 6 9.075 9.075 8.177 0.898 18299 4577 1 13 . 1 1 7 7 SER N N 7 118.028 118.028 118.875 -0.847 18299 4578 1 13 . 1 1 7 7 SER HA H 7 5.322 5.322 4.756 0.566 18299 4579 1 13 . 1 1 7 7 SER C C 7 174.651 174.651 172.571 2.080 18299 4580 1 13 . 1 1 7 7 SER CA C 7 56.636 56.636 56.878 -0.242 18299 4581 1 13 . 1 1 7 7 SER CB C 7 63.983 63.983 64.041 -0.058 18299 4582 1 13 . 1 1 7 7 SER H H 7 9.346 9.346 8.140 1.206 18299 4583 1 13 . 1 1 8 8 VAL N N 8 125.476 125.476 127.035 -1.559 18299 4584 1 13 . 1 1 8 8 VAL HA H 8 4.683 4.683 5.130 -0.447 18299 4585 1 13 . 1 1 8 8 VAL C C 8 174.360 174.360 174.173 0.187 18299 4586 1 13 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.029 0.991 18299 4587 1 13 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.705 -0.484 18299 4588 1 13 . 1 1 8 8 VAL H H 8 8.129 8.129 8.178 -0.049 18299 4589 1 13 . 1 1 9 9 ASP N N 9 124.989 124.989 129.030 -4.041 18299 4590 1 13 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.812 -0.116 18299 4591 1 13 . 1 1 9 9 ASP C C 9 175.278 175.278 175.626 -0.348 18299 4592 1 13 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.041 0.970 18299 4593 1 13 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.601 -1.080 18299 4594 1 13 . 1 1 9 9 ASP H H 9 8.285 8.285 8.083 0.202 18299 4595 1 13 . 1 1 10 10 MET N N 10 125.927 125.927 124.027 1.900 18299 4596 1 13 . 1 1 10 10 MET HA H 10 4.712 4.712 4.449 0.263 18299 4597 1 13 . 1 1 10 10 MET C C 10 175.748 175.748 176.398 -0.650 18299 4598 1 13 . 1 1 10 10 MET CA C 10 54.825 54.825 56.492 -1.667 18299 4599 1 13 . 1 1 10 10 MET CB C 10 34.030 34.030 31.918 2.112 18299 4600 1 13 . 1 1 10 10 MET H H 10 8.096 8.096 8.608 -0.512 18299 4601 1 13 . 1 1 11 11 THR N N 11 116.339 116.339 119.246 -2.907 18299 4602 1 13 . 1 1 11 11 THR HA H 11 4.326 4.326 4.434 -0.108 18299 4603 1 13 . 1 1 11 11 THR C C 11 174.832 174.832 175.394 -0.562 18299 4604 1 13 . 1 1 11 11 THR CA C 11 63.908 63.908 64.083 -0.175 18299 4605 1 13 . 1 1 11 11 THR CB C 11 69.529 69.529 69.332 0.197 18299 4606 1 13 . 1 1 11 11 THR H H 11 8.886 8.886 8.818 0.068 18299 4607 1 13 . 1 1 12 12 CYS N N 12 117.534 117.534 122.115 -4.581 18299 4608 1 13 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.745 0.050 18299 4609 1 13 . 1 1 12 12 CYS C C 12 174.892 174.892 176.814 -1.922 18299 4610 1 13 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.388 -0.773 18299 4611 1 13 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.582 1.899 18299 4612 1 13 . 1 1 12 12 CYS H H 12 8.183 8.183 8.187 -0.004 18299 4613 1 13 . 1 1 13 13 GLY N N 13 110.516 110.516 111.197 -0.681 18299 4614 1 13 . 1 1 13 13 GLY C C 13 175.328 175.328 176.311 -0.983 18299 4615 1 13 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.716 -1.135 18299 4616 1 13 . 1 1 13 13 GLY H H 13 8.737 8.737 8.376 0.361 18299 4617 1 13 . 1 1 14 14 GLY N N 14 110.521 110.521 108.480 2.041 18299 4618 1 13 . 1 1 14 14 GLY C C 14 175.741 175.741 175.834 -0.093 18299 4619 1 13 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.896 -0.890 18299 4620 1 13 . 1 1 14 14 GLY H H 14 8.677 8.677 8.390 0.287 18299 4621 1 13 . 1 1 15 15 CYS N N 15 121.304 121.304 120.456 0.848 18299 4622 1 13 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.523 -0.160 18299 4623 1 13 . 1 1 15 15 CYS C C 15 176.557 176.557 176.523 0.034 18299 4624 1 13 . 1 1 15 15 CYS CA C 15 61.356 61.356 59.554 1.802 18299 4625 1 13 . 1 1 15 15 CYS CB C 15 28.522 28.522 26.890 1.632 18299 4626 1 13 . 1 1 15 15 CYS H H 15 7.853 7.853 8.360 -0.507 18299 4627 1 13 . 1 1 16 16 ALA N N 16 121.907 121.907 122.464 -0.557 18299 4628 1 13 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.140 -0.118 18299 4629 1 13 . 1 1 16 16 ALA C C 16 180.089 180.089 179.213 0.876 18299 4630 1 13 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.010 0.784 18299 4631 1 13 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.136 0.146 18299 4632 1 13 . 1 1 16 16 ALA H H 16 8.196 8.196 8.661 -0.465 18299 4633 1 13 . 1 1 17 17 GLU N N 17 118.976 118.976 119.171 -0.195 18299 4634 1 13 . 1 1 17 17 GLU HA H 17 4.065 4.065 3.979 0.086 18299 4635 1 13 . 1 1 17 17 GLU C C 17 178.541 178.541 178.336 0.205 18299 4636 1 13 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.603 0.077 18299 4637 1 13 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.413 -0.232 18299 4638 1 13 . 1 1 17 17 GLU H H 17 8.518 8.518 7.847 0.671 18299 4639 1 13 . 1 1 18 18 ALA N N 18 122.909 122.909 121.291 1.618 18299 4640 1 13 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.158 -0.069 18299 4641 1 13 . 1 1 18 18 ALA C C 18 179.665 179.665 179.840 -0.175 18299 4642 1 13 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.556 0.528 18299 4643 1 13 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.062 0.083 18299 4644 1 13 . 1 1 18 18 ALA H H 18 7.863 7.863 7.405 0.458 18299 4645 1 13 . 1 1 19 19 VAL N N 19 118.050 118.050 118.397 -0.347 18299 4646 1 13 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.525 -0.228 18299 4647 1 13 . 1 1 19 19 VAL C C 19 176.602 176.602 177.493 -0.891 18299 4648 1 13 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.059 0.242 18299 4649 1 13 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.710 -0.239 18299 4650 1 13 . 1 1 19 19 VAL H H 19 7.989 7.989 7.905 0.084 18299 4651 1 13 . 1 1 20 20 SER N N 20 113.425 113.425 115.076 -1.651 18299 4652 1 13 . 1 1 20 20 SER HA H 20 4.086 4.086 4.102 -0.016 18299 4653 1 13 . 1 1 20 20 SER C C 20 175.600 175.600 177.049 -1.449 18299 4654 1 13 . 1 1 20 20 SER CA C 20 62.064 62.064 61.465 0.599 18299 4655 1 13 . 1 1 20 20 SER CB C 20 62.443 62.443 63.072 -0.629 18299 4656 1 13 . 1 1 20 20 SER H H 20 7.808 7.808 7.637 0.171 18299 4657 1 13 . 1 1 21 21 ARG N N 21 119.858 119.858 122.051 -2.193 18299 4658 1 13 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.923 0.081 18299 4659 1 13 . 1 1 21 21 ARG C C 21 180.231 180.231 178.501 1.730 18299 4660 1 13 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.889 1.181 18299 4661 1 13 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.993 0.483 18299 4662 1 13 . 1 1 21 21 ARG H H 21 8.086 8.086 7.466 0.620 18299 4663 1 13 . 1 1 22 22 VAL N N 22 112.224 112.224 119.762 -7.538 18299 4664 1 13 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.779 0.243 18299 4665 1 13 . 1 1 22 22 VAL C C 22 179.211 179.211 177.601 1.610 18299 4666 1 13 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.045 -0.099 18299 4667 1 13 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.248 -0.585 18299 4668 1 13 . 1 1 22 22 VAL H H 22 7.943 7.943 7.448 0.495 18299 4669 1 13 . 1 1 23 23 LEU N N 23 122.146 122.146 122.414 -0.268 18299 4670 1 13 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.005 -0.019 18299 4671 1 13 . 1 1 23 23 LEU C C 23 178.347 178.347 177.840 0.507 18299 4672 1 13 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.330 -0.081 18299 4673 1 13 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.329 -0.479 18299 4674 1 13 . 1 1 23 23 LEU H H 23 7.692 7.692 7.672 0.020 18299 4675 1 13 . 1 1 24 24 ASN N N 24 118.578 118.578 116.789 1.789 18299 4676 1 13 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.283 0.246 18299 4677 1 13 . 1 1 24 24 ASN C C 24 178.060 178.060 176.856 1.204 18299 4678 1 13 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.089 -0.483 18299 4679 1 13 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.024 -0.832 18299 4680 1 13 . 1 1 24 24 ASN H H 24 8.683 8.683 7.961 0.722 18299 4681 1 13 . 1 1 25 25 LYS N N 25 118.395 118.395 119.910 -1.515 18299 4682 1 13 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.045 0.019 18299 4683 1 13 . 1 1 25 25 LYS C C 25 177.770 177.770 178.211 -0.441 18299 4684 1 13 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.670 -0.425 18299 4685 1 13 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.233 -0.047 18299 4686 1 13 . 1 1 25 25 LYS H H 25 7.469 7.469 7.677 -0.208 18299 4687 1 13 . 1 1 26 26 LEU N N 26 121.105 121.105 117.474 3.631 18299 4688 1 13 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.259 -0.168 18299 4689 1 13 . 1 1 26 26 LEU C C 26 178.609 178.609 178.100 0.509 18299 4690 1 13 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.364 1.378 18299 4691 1 13 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.004 0.188 18299 4692 1 13 . 1 1 26 26 LEU H H 26 7.209 7.209 7.899 -0.690 18299 4693 1 13 . 1 1 27 27 GLY N N 27 104.036 104.036 103.107 0.929 18299 4694 1 13 . 1 1 27 27 GLY C C 27 173.508 173.508 174.919 -1.411 18299 4695 1 13 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.150 -0.917 18299 4696 1 13 . 1 1 27 27 GLY H H 27 7.691 7.691 8.177 -0.485 18299 4697 1 13 . 1 1 28 28 GLY N N 28 106.538 106.538 108.654 -2.116 18299 4698 1 13 . 1 1 28 28 GLY C C 28 175.737 175.737 174.038 1.699 18299 4699 1 13 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.016 1.602 18299 4700 1 13 . 1 1 28 28 GLY H H 28 8.603 8.603 7.697 0.906 18299 4701 1 13 . 1 1 29 29 VAL N N 29 112.116 112.116 112.176 -0.060 18299 4702 1 13 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.752 0.197 18299 4703 1 13 . 1 1 29 29 VAL C C 29 174.487 174.487 175.233 -0.746 18299 4704 1 13 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.928 0.810 18299 4705 1 13 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.181 2.333 18299 4706 1 13 . 1 1 29 29 VAL H H 29 7.974 7.974 7.264 0.710 18299 4707 1 13 . 1 1 30 30 LYS N N 30 124.568 124.568 121.283 3.285 18299 4708 1 13 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.346 0.302 18299 4709 1 13 . 1 1 30 30 LYS C C 30 174.964 174.964 175.460 -0.496 18299 4710 1 13 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.475 -1.472 18299 4711 1 13 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.107 1.532 18299 4712 1 13 . 1 1 30 30 LYS H H 30 8.370 8.370 8.636 -0.266 18299 4713 1 13 . 1 1 31 31 TYR N N 31 121.504 121.504 119.701 1.803 18299 4714 1 13 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.495 0.489 18299 4715 1 13 . 1 1 31 31 TYR C C 31 172.758 172.758 174.367 -1.609 18299 4716 1 13 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.659 -0.535 18299 4717 1 13 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.480 1.301 18299 4718 1 13 . 1 1 31 31 TYR H H 31 8.531 8.531 8.090 0.441 18299 4719 1 13 . 1 1 32 32 ASP N N 32 119.262 119.262 120.934 -1.672 18299 4720 1 13 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.883 0.109 18299 4721 1 13 . 1 1 32 32 ASP C C 32 174.839 174.839 174.573 0.266 18299 4722 1 13 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.436 -0.153 18299 4723 1 13 . 1 1 32 32 ASP CB C 32 44.851 44.851 45.092 -0.241 18299 4724 1 13 . 1 1 32 32 ASP H H 32 8.750 8.750 8.303 0.447 18299 4725 1 13 . 1 1 33 33 ILE N N 33 124.951 124.951 117.754 7.197 18299 4726 1 13 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.500 -0.141 18299 4727 1 13 . 1 1 33 33 ILE C C 33 173.855 173.855 174.707 -0.852 18299 4728 1 13 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.003 1.929 18299 4729 1 13 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.464 0.170 18299 4730 1 13 . 1 1 33 33 ILE H H 33 9.001 9.001 8.346 0.655 18299 4731 1 13 . 1 1 34 34 ASP N N 34 130.202 130.202 127.888 2.314 18299 4732 1 13 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.993 -0.018 18299 4733 1 13 . 1 1 34 34 ASP C C 34 175.761 175.761 175.590 0.171 18299 4734 1 13 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.319 -1.510 18299 4735 1 13 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.246 -0.005 18299 4736 1 13 . 1 1 34 34 ASP H H 34 9.033 9.033 8.322 0.711 18299 4737 1 13 . 1 1 35 35 LEU N N 35 123.830 123.830 123.530 0.300 18299 4738 1 13 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.202 0.108 18299 4739 1 13 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.887 -0.025 18299 4740 1 13 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.294 -0.942 18299 4741 1 13 . 1 1 35 35 LEU H H 35 8.888 8.888 8.691 0.197 18299 4742 1 13 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.286 0.010 18299 4743 1 13 . 1 1 36 36 PRO C C 36 177.959 177.959 178.155 -0.196 18299 4744 1 13 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.337 1.049 18299 4745 1 13 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.165 0.328 18299 4746 1 13 . 1 1 37 37 ASN N N 37 110.308 110.308 115.246 -4.938 18299 4747 1 13 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.710 0.189 18299 4748 1 13 . 1 1 37 37 ASN C C 37 172.880 172.880 174.993 -2.113 18299 4749 1 13 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.845 -0.237 18299 4750 1 13 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.074 -0.529 18299 4751 1 13 . 1 1 37 37 ASN H H 37 7.255 7.255 8.137 -0.882 18299 4752 1 13 . 1 1 38 38 LYS N N 38 119.648 119.648 116.272 3.376 18299 4753 1 13 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.929 -0.097 18299 4754 1 13 . 1 1 38 38 LYS C C 38 175.375 175.375 174.307 1.068 18299 4755 1 13 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.423 0.805 18299 4756 1 13 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.532 -0.080 18299 4757 1 13 . 1 1 38 38 LYS H H 38 8.328 8.328 8.128 0.200 18299 4758 1 13 . 1 1 39 39 LYS N N 39 116.950 116.950 117.776 -0.826 18299 4759 1 13 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.681 0.973 18299 4760 1 13 . 1 1 39 39 LYS C C 39 174.797 174.797 173.961 0.836 18299 4761 1 13 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.867 0.037 18299 4762 1 13 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.050 0.569 18299 4763 1 13 . 1 1 39 39 LYS H H 39 8.203 8.203 7.384 0.819 18299 4764 1 13 . 1 1 40 40 VAL N N 40 121.279 121.279 120.427 0.852 18299 4765 1 13 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.900 0.074 18299 4766 1 13 . 1 1 40 40 VAL C C 40 173.992 173.992 174.581 -0.589 18299 4767 1 13 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.493 0.198 18299 4768 1 13 . 1 1 40 40 VAL CB C 40 35.817 35.817 33.167 2.650 18299 4769 1 13 . 1 1 40 40 VAL H H 40 9.115 9.115 8.130 0.985 18299 4770 1 13 . 1 1 41 41 CYS N N 41 126.779 126.779 126.400 0.379 18299 4771 1 13 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.839 0.796 18299 4772 1 13 . 1 1 41 41 CYS C C 41 174.839 174.839 173.422 1.417 18299 4773 1 13 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.659 -0.688 18299 4774 1 13 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.431 0.708 18299 4775 1 13 . 1 1 41 41 CYS H H 41 8.767 8.767 8.296 0.471 18299 4776 1 13 . 1 1 42 42 ILE N N 42 125.941 125.941 129.356 -3.415 18299 4777 1 13 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.911 0.068 18299 4778 1 13 . 1 1 42 42 ILE C C 42 174.113 174.113 173.296 0.817 18299 4779 1 13 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.459 1.770 18299 4780 1 13 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.860 0.579 18299 4781 1 13 . 1 1 42 42 ILE H H 42 9.697 9.697 8.352 1.345 18299 4782 1 13 . 1 1 43 43 GLU N N 43 130.488 130.488 128.917 1.571 18299 4783 1 13 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.964 0.492 18299 4784 1 13 . 1 1 43 43 GLU C C 43 176.185 176.185 174.785 1.400 18299 4785 1 13 . 1 1 43 43 GLU CA C 43 54.885 54.885 54.848 0.037 18299 4786 1 13 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.182 0.844 18299 4787 1 13 . 1 1 43 43 GLU H H 43 9.510 9.510 8.188 1.322 18299 4788 1 13 . 1 1 44 44 SER N N 44 119.391 119.391 118.611 0.780 18299 4789 1 13 . 1 1 44 44 SER HA H 44 4.868 4.868 4.715 0.153 18299 4790 1 13 . 1 1 44 44 SER C C 44 173.026 173.026 174.638 -1.612 18299 4791 1 13 . 1 1 44 44 SER CA C 44 59.104 59.104 56.782 2.322 18299 4792 1 13 . 1 1 44 44 SER CB C 44 66.159 66.159 65.014 1.145 18299 4793 1 13 . 1 1 44 44 SER H H 44 8.681 8.681 8.668 0.013 18299 4794 1 13 . 1 1 45 45 GLU N N 45 121.420 121.420 122.750 -1.330 18299 4795 1 13 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.351 0.203 18299 4796 1 13 . 1 1 45 45 GLU C C 45 177.473 177.473 176.921 0.552 18299 4797 1 13 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.921 -2.714 18299 4798 1 13 . 1 1 45 45 GLU CB C 45 29.851 29.851 30.017 -0.166 18299 4799 1 13 . 1 1 45 45 GLU H H 45 9.026 9.026 8.885 0.141 18299 4800 1 13 . 1 1 46 46 HIS N N 46 119.653 119.653 115.986 3.667 18299 4801 1 13 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.689 -0.046 18299 4802 1 13 . 1 1 46 46 HIS C C 46 175.514 175.514 174.474 1.040 18299 4803 1 13 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.242 0.673 18299 4804 1 13 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.435 0.290 18299 4805 1 13 . 1 1 46 46 HIS H H 46 8.423 8.423 7.825 0.598 18299 4806 1 13 . 1 1 47 47 SER N N 47 116.562 116.562 114.671 1.891 18299 4807 1 13 . 1 1 47 47 SER HA H 47 4.349 4.349 3.931 0.418 18299 4808 1 13 . 1 1 47 47 SER C C 47 174.638 174.638 174.254 0.384 18299 4809 1 13 . 1 1 47 47 SER CA C 47 57.438 57.438 58.711 -1.273 18299 4810 1 13 . 1 1 47 47 SER CB C 47 65.022 65.022 63.614 1.408 18299 4811 1 13 . 1 1 47 47 SER H H 47 9.093 9.093 8.016 1.077 18299 4812 1 13 . 1 1 48 48 MET N N 48 121.402 121.402 120.340 1.062 18299 4813 1 13 . 1 1 48 48 MET HA H 48 3.412 3.412 4.117 -0.705 18299 4814 1 13 . 1 1 48 48 MET C C 48 177.797 177.797 174.206 3.591 18299 4815 1 13 . 1 1 48 48 MET CA C 48 60.298 60.298 56.585 3.713 18299 4816 1 13 . 1 1 48 48 MET CB C 48 30.776 30.776 31.988 -1.212 18299 4817 1 13 . 1 1 48 48 MET H H 48 8.920 8.920 8.408 0.512 18299 4818 1 13 . 1 1 49 49 ASP N N 49 116.251 116.251 116.500 -0.249 18299 4819 1 13 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.559 -0.357 18299 4820 1 13 . 1 1 49 49 ASP C C 49 179.291 179.291 176.874 2.417 18299 4821 1 13 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.642 1.913 18299 4822 1 13 . 1 1 49 49 ASP CB C 49 40.852 40.852 39.944 0.908 18299 4823 1 13 . 1 1 49 49 ASP H H 49 8.345 8.345 8.205 0.140 18299 4824 1 13 . 1 1 50 50 THR N N 50 120.023 120.023 116.093 3.930 18299 4825 1 13 . 1 1 50 50 THR HA H 50 4.305 4.305 4.125 0.180 18299 4826 1 13 . 1 1 50 50 THR C C 50 177.416 177.416 175.950 1.466 18299 4827 1 13 . 1 1 50 50 THR CA C 50 66.392 66.392 64.729 1.663 18299 4828 1 13 . 1 1 50 50 THR CB C 50 68.452 68.452 68.406 0.046 18299 4829 1 13 . 1 1 50 50 THR H H 50 8.019 8.019 8.174 -0.155 18299 4830 1 13 . 1 1 51 51 LEU N N 51 124.562 124.562 120.606 3.956 18299 4831 1 13 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.821 -0.313 18299 4832 1 13 . 1 1 51 51 LEU C C 51 177.386 177.386 178.626 -1.240 18299 4833 1 13 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.834 0.629 18299 4834 1 13 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.355 3.013 18299 4835 1 13 . 1 1 51 51 LEU H H 51 8.043 8.043 7.430 0.613 18299 4836 1 13 . 1 1 52 52 LEU N N 52 120.718 120.718 115.652 5.066 18299 4837 1 13 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.163 -0.617 18299 4838 1 13 . 1 1 52 52 LEU C C 52 178.065 178.065 178.614 -0.549 18299 4839 1 13 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.794 0.677 18299 4840 1 13 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.573 2.128 18299 4841 1 13 . 1 1 52 52 LEU H H 52 8.993 8.993 7.456 1.537 18299 4842 1 13 . 1 1 53 53 ALA N N 53 118.641 118.641 122.103 -3.462 18299 4843 1 13 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.949 -0.036 18299 4844 1 13 . 1 1 53 53 ALA C C 53 180.677 180.677 179.491 1.186 18299 4845 1 13 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.218 -0.183 18299 4846 1 13 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.038 0.131 18299 4847 1 13 . 1 1 53 53 ALA H H 53 7.859 7.859 7.686 0.173 18299 4848 1 13 . 1 1 54 54 THR N N 54 114.407 114.407 114.741 -0.334 18299 4849 1 13 . 1 1 54 54 THR HA H 54 3.662 3.662 4.042 -0.380 18299 4850 1 13 . 1 1 54 54 THR C C 54 175.694 175.694 176.510 -0.816 18299 4851 1 13 . 1 1 54 54 THR CA C 54 67.449 67.449 65.841 1.608 18299 4852 1 13 . 1 1 54 54 THR CB C 54 68.226 68.226 68.653 -0.427 18299 4853 1 13 . 1 1 54 54 THR H H 54 7.688 7.688 7.451 0.237 18299 4854 1 13 . 1 1 55 55 LEU N N 55 119.491 119.491 120.699 -1.208 18299 4855 1 13 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.073 -0.271 18299 4856 1 13 . 1 1 55 55 LEU C C 55 179.660 179.660 178.292 1.368 18299 4857 1 13 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.872 -0.021 18299 4858 1 13 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.626 1.381 18299 4859 1 13 . 1 1 55 55 LEU H H 55 8.104 8.104 7.886 0.218 18299 4860 1 13 . 1 1 56 56 LYS N N 56 119.317 119.317 116.536 2.781 18299 4861 1 13 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.292 -0.323 18299 4862 1 13 . 1 1 56 56 LYS C C 56 179.227 179.227 178.322 0.905 18299 4863 1 13 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.962 1.814 18299 4864 1 13 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.116 0.106 18299 4865 1 13 . 1 1 56 56 LYS H H 56 8.333 8.333 8.349 -0.016 18299 4866 1 13 . 1 1 57 57 LYS N N 57 120.188 120.188 120.580 -0.392 18299 4867 1 13 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.093 0.069 18299 4868 1 13 . 1 1 57 57 LYS C C 57 178.128 178.128 177.929 0.199 18299 4869 1 13 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.931 0.152 18299 4870 1 13 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.176 0.276 18299 4871 1 13 . 1 1 57 57 LYS H H 57 7.646 7.646 7.424 0.222 18299 4872 1 13 . 1 1 58 58 THR N N 58 106.563 106.563 110.619 -4.056 18299 4873 1 13 . 1 1 58 58 THR HA H 58 4.277 4.277 4.417 -0.140 18299 4874 1 13 . 1 1 58 58 THR C C 58 175.933 175.933 174.680 1.253 18299 4875 1 13 . 1 1 58 58 THR CA C 58 63.742 63.742 61.779 1.964 18299 4876 1 13 . 1 1 58 58 THR CB C 58 71.108 71.108 69.035 2.073 18299 4877 1 13 . 1 1 58 58 THR H H 58 7.483 7.483 7.856 -0.373 18299 4878 1 13 . 1 1 59 59 GLY N N 59 108.569 108.569 108.708 -0.139 18299 4879 1 13 . 1 1 59 59 GLY C C 59 173.171 173.171 174.371 -1.200 18299 4880 1 13 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.190 -0.198 18299 4881 1 13 . 1 1 59 59 GLY H H 59 7.774 7.774 7.578 0.196 18299 4882 1 13 . 1 1 60 60 ALA N N 60 122.420 122.420 122.372 0.048 18299 4883 1 13 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.436 0.070 18299 4884 1 13 . 1 1 60 60 ALA C C 60 177.155 177.155 177.121 0.034 18299 4885 1 13 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.617 -0.562 18299 4886 1 13 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.105 0.203 18299 4887 1 13 . 1 1 60 60 ALA H H 60 7.524 7.524 7.310 0.214 18299 4888 1 13 . 1 1 61 61 THR N N 61 117.690 117.690 114.854 2.836 18299 4889 1 13 . 1 1 61 61 THR HA H 61 4.321 4.321 4.208 0.113 18299 4890 1 13 . 1 1 61 61 THR C C 61 174.635 174.635 173.696 0.939 18299 4891 1 13 . 1 1 61 61 THR CA C 61 63.922 63.922 62.346 1.575 18299 4892 1 13 . 1 1 61 61 THR CB C 61 68.904 68.904 69.450 -0.546 18299 4893 1 13 . 1 1 61 61 THR H H 61 8.491 8.491 8.331 0.160 18299 4894 1 13 . 1 1 62 62 VAL N N 62 129.030 129.030 126.611 2.419 18299 4895 1 13 . 1 1 62 62 VAL HA H 62 5.314 5.314 5.110 0.204 18299 4896 1 13 . 1 1 62 62 VAL C C 62 174.947 174.947 174.496 0.451 18299 4897 1 13 . 1 1 62 62 VAL CA C 62 60.315 60.315 59.697 0.618 18299 4898 1 13 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.279 0.385 18299 4899 1 13 . 1 1 62 62 VAL H H 62 8.709 8.709 8.168 0.541 18299 4900 1 13 . 1 1 63 63 SER N N 63 119.588 119.588 123.157 -3.569 18299 4901 1 13 . 1 1 63 63 SER HA H 63 4.865 4.865 4.684 0.181 18299 4902 1 13 . 1 1 63 63 SER C C 63 173.019 173.019 172.501 0.518 18299 4903 1 13 . 1 1 63 63 SER CA C 63 57.347 57.347 56.627 0.720 18299 4904 1 13 . 1 1 63 63 SER CB C 63 65.605 65.605 65.255 0.350 18299 4905 1 13 . 1 1 63 63 SER H H 63 8.988 8.988 8.147 0.841 18299 4906 1 13 . 1 1 64 64 TYR N N 64 125.400 125.400 129.015 -3.615 18299 4907 1 13 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.829 0.750 18299 4908 1 13 . 1 1 64 64 TYR C C 64 175.523 175.523 175.234 0.289 18299 4909 1 13 . 1 1 64 64 TYR CA C 64 57.454 57.454 58.384 -0.930 18299 4910 1 13 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.623 0.399 18299 4911 1 13 . 1 1 64 64 TYR H H 64 9.391 9.391 8.778 0.613 18299 4912 1 13 . 1 1 65 65 LEU N N 65 128.500 128.500 127.632 0.868 18299 4913 1 13 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.365 -0.046 18299 4914 1 13 . 1 1 65 65 LEU C C 65 176.473 176.473 177.596 -1.123 18299 4915 1 13 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.289 -0.612 18299 4916 1 13 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.348 -0.290 18299 4917 1 13 . 1 1 65 65 LEU H H 65 8.304 8.304 8.467 -0.163 18299 4918 1 13 . 1 1 66 66 GLY N N 66 105.737 105.737 104.707 1.030 18299 4919 1 13 . 1 1 66 66 GLY C C 66 171.330 171.330 172.205 -0.875 18299 4920 1 13 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.753 0.283 18299 4921 1 13 . 1 1 66 66 GLY H H 66 5.977 5.977 7.826 -1.849 18299 4922 1 13 . 1 1 67 67 LEU N N 67 120.133 120.133 121.096 -0.963 18299 4923 1 13 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.487 0.295 18299 4924 1 13 . 1 1 67 67 LEU C C 67 177.339 177.339 174.852 2.487 18299 4925 1 13 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.985 0.391 18299 4926 1 13 . 1 1 67 67 LEU CB C 67 43.881 43.881 45.577 -1.696 18299 4927 1 13 . 1 1 67 67 LEU H H 67 7.947 7.947 8.389 -0.442 18299 4928 1 14 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.590 -0.337 18299 4929 1 14 . 1 1 2 2 PRO C C 2 174.299 174.299 175.933 -1.634 18299 4930 1 14 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.382 0.953 18299 4931 1 14 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.541 0.092 18299 4932 1 14 . 1 1 3 3 LYS N N 3 121.020 121.020 121.670 -0.650 18299 4933 1 14 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.492 0.442 18299 4934 1 14 . 1 1 3 3 LYS C C 3 175.055 175.055 175.447 -0.392 18299 4935 1 14 . 1 1 3 3 LYS CA C 3 54.894 54.894 56.229 -1.335 18299 4936 1 14 . 1 1 3 3 LYS CB C 3 34.382 34.382 33.918 0.464 18299 4937 1 14 . 1 1 3 3 LYS H H 3 8.038 8.038 8.659 -0.621 18299 4938 1 14 . 1 1 4 4 HIS N N 4 122.815 122.815 123.778 -0.963 18299 4939 1 14 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.021 -0.062 18299 4940 1 14 . 1 1 4 4 HIS C C 4 174.771 174.771 173.509 1.262 18299 4941 1 14 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.621 1.421 18299 4942 1 14 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.360 1.884 18299 4943 1 14 . 1 1 4 4 HIS H H 4 8.908 8.908 8.918 -0.010 18299 4944 1 14 . 1 1 5 5 GLU N N 5 122.404 122.404 126.607 -4.203 18299 4945 1 14 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.856 0.437 18299 4946 1 14 . 1 1 5 5 GLU C C 5 174.389 174.389 174.843 -0.454 18299 4947 1 14 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.602 0.246 18299 4948 1 14 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.650 0.092 18299 4949 1 14 . 1 1 5 5 GLU H H 5 8.951 8.951 8.676 0.275 18299 4950 1 14 . 1 1 6 6 PHE N N 6 119.234 119.234 123.999 -4.765 18299 4951 1 14 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.962 0.223 18299 4952 1 14 . 1 1 6 6 PHE C C 6 175.130 175.130 173.618 1.512 18299 4953 1 14 . 1 1 6 6 PHE CA C 6 56.746 56.746 57.003 -0.257 18299 4954 1 14 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.138 -1.456 18299 4955 1 14 . 1 1 6 6 PHE H H 6 9.075 9.075 9.335 -0.260 18299 4956 1 14 . 1 1 7 7 SER N N 7 118.028 118.028 118.825 -0.797 18299 4957 1 14 . 1 1 7 7 SER HA H 7 5.322 5.322 4.835 0.487 18299 4958 1 14 . 1 1 7 7 SER C C 7 174.651 174.651 172.514 2.137 18299 4959 1 14 . 1 1 7 7 SER CA C 7 56.636 56.636 57.324 -0.688 18299 4960 1 14 . 1 1 7 7 SER CB C 7 63.983 63.983 64.118 -0.135 18299 4961 1 14 . 1 1 7 7 SER H H 7 9.346 9.346 8.980 0.366 18299 4962 1 14 . 1 1 8 8 VAL N N 8 125.476 125.476 127.195 -1.719 18299 4963 1 14 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.897 -0.214 18299 4964 1 14 . 1 1 8 8 VAL C C 8 174.360 174.360 175.329 -0.969 18299 4965 1 14 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.623 0.397 18299 4966 1 14 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.221 -0.000 18299 4967 1 14 . 1 1 8 8 VAL H H 8 8.129 8.129 8.612 -0.483 18299 4968 1 14 . 1 1 9 9 ASP N N 9 124.989 124.989 128.190 -3.201 18299 4969 1 14 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.714 -0.018 18299 4970 1 14 . 1 1 9 9 ASP C C 9 175.278 175.278 175.548 -0.270 18299 4971 1 14 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.382 -0.371 18299 4972 1 14 . 1 1 9 9 ASP CB C 9 40.521 40.521 42.321 -1.800 18299 4973 1 14 . 1 1 9 9 ASP H H 9 8.285 8.285 8.208 0.077 18299 4974 1 14 . 1 1 10 10 MET N N 10 125.927 125.927 124.033 1.894 18299 4975 1 14 . 1 1 10 10 MET HA H 10 4.712 4.712 4.383 0.329 18299 4976 1 14 . 1 1 10 10 MET C C 10 175.748 175.748 176.329 -0.581 18299 4977 1 14 . 1 1 10 10 MET CA C 10 54.825 54.825 56.171 -1.346 18299 4978 1 14 . 1 1 10 10 MET CB C 10 34.030 34.030 32.562 1.468 18299 4979 1 14 . 1 1 10 10 MET H H 10 8.096 8.096 8.740 -0.644 18299 4980 1 14 . 1 1 11 11 THR N N 11 116.339 116.339 120.351 -4.012 18299 4981 1 14 . 1 1 11 11 THR HA H 11 4.326 4.326 4.428 -0.102 18299 4982 1 14 . 1 1 11 11 THR C C 11 174.832 174.832 175.115 -0.283 18299 4983 1 14 . 1 1 11 11 THR CA C 11 63.908 63.908 63.782 0.126 18299 4984 1 14 . 1 1 11 11 THR CB C 11 69.529 69.529 69.404 0.124 18299 4985 1 14 . 1 1 11 11 THR H H 11 8.886 8.886 8.848 0.038 18299 4986 1 14 . 1 1 12 12 CYS N N 12 117.534 117.534 121.959 -4.425 18299 4987 1 14 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.803 -0.008 18299 4988 1 14 . 1 1 12 12 CYS C C 12 174.892 174.892 176.878 -1.986 18299 4989 1 14 . 1 1 12 12 CYS CA C 12 57.615 57.615 57.409 0.206 18299 4990 1 14 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.290 2.191 18299 4991 1 14 . 1 1 12 12 CYS H H 12 8.183 8.183 8.201 -0.018 18299 4992 1 14 . 1 1 13 13 GLY N N 13 110.516 110.516 111.435 -0.919 18299 4993 1 14 . 1 1 13 13 GLY C C 13 175.328 175.328 176.167 -0.839 18299 4994 1 14 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.861 -1.280 18299 4995 1 14 . 1 1 13 13 GLY H H 13 8.737 8.737 8.351 0.386 18299 4996 1 14 . 1 1 14 14 GLY N N 14 110.521 110.521 108.400 2.121 18299 4997 1 14 . 1 1 14 14 GLY C C 14 175.741 175.741 175.695 0.046 18299 4998 1 14 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.643 -0.637 18299 4999 1 14 . 1 1 14 14 GLY H H 14 8.677 8.677 8.266 0.411 18299 5000 1 14 . 1 1 15 15 CYS N N 15 121.304 121.304 120.259 1.045 18299 5001 1 14 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.306 0.057 18299 5002 1 14 . 1 1 15 15 CYS C C 15 176.557 176.557 176.598 -0.041 18299 5003 1 14 . 1 1 15 15 CYS CA C 15 61.356 61.356 61.595 -0.239 18299 5004 1 14 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.712 0.810 18299 5005 1 14 . 1 1 15 15 CYS H H 15 7.853 7.853 8.334 -0.481 18299 5006 1 14 . 1 1 16 16 ALA N N 16 121.907 121.907 122.352 -0.445 18299 5007 1 14 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.075 -0.053 18299 5008 1 14 . 1 1 16 16 ALA C C 16 180.089 180.089 179.060 1.029 18299 5009 1 14 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.891 0.903 18299 5010 1 14 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.107 0.175 18299 5011 1 14 . 1 1 16 16 ALA H H 16 8.196 8.196 8.653 -0.457 18299 5012 1 14 . 1 1 17 17 GLU N N 17 118.976 118.976 118.693 0.283 18299 5013 1 14 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.011 0.054 18299 5014 1 14 . 1 1 17 17 GLU C C 17 178.541 178.541 178.413 0.128 18299 5015 1 14 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.411 0.269 18299 5016 1 14 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.378 -0.198 18299 5017 1 14 . 1 1 17 17 GLU H H 17 8.518 8.518 7.971 0.547 18299 5018 1 14 . 1 1 18 18 ALA N N 18 122.909 122.909 120.587 2.322 18299 5019 1 14 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.104 -0.015 18299 5020 1 14 . 1 1 18 18 ALA C C 18 179.665 179.665 179.644 0.021 18299 5021 1 14 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.595 0.489 18299 5022 1 14 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.381 -0.235 18299 5023 1 14 . 1 1 18 18 ALA H H 18 7.863 7.863 7.344 0.519 18299 5024 1 14 . 1 1 19 19 VAL N N 19 118.050 118.050 118.503 -0.453 18299 5025 1 14 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.658 -0.361 18299 5026 1 14 . 1 1 19 19 VAL C C 19 176.602 176.602 178.276 -1.674 18299 5027 1 14 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.659 0.642 18299 5028 1 14 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.446 0.025 18299 5029 1 14 . 1 1 19 19 VAL H H 19 7.989 7.989 7.874 0.115 18299 5030 1 14 . 1 1 20 20 SER N N 20 113.425 113.425 116.429 -3.004 18299 5031 1 14 . 1 1 20 20 SER HA H 20 4.086 4.086 4.028 0.058 18299 5032 1 14 . 1 1 20 20 SER C C 20 175.600 175.600 176.297 -0.697 18299 5033 1 14 . 1 1 20 20 SER CA C 20 62.064 62.064 61.467 0.597 18299 5034 1 14 . 1 1 20 20 SER CB C 20 62.443 62.443 62.830 -0.387 18299 5035 1 14 . 1 1 20 20 SER H H 20 7.808 7.808 8.030 -0.222 18299 5036 1 14 . 1 1 21 21 ARG N N 21 119.858 119.858 121.605 -1.747 18299 5037 1 14 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.928 0.076 18299 5038 1 14 . 1 1 21 21 ARG C C 21 180.231 180.231 178.405 1.826 18299 5039 1 14 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.899 1.171 18299 5040 1 14 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.804 0.672 18299 5041 1 14 . 1 1 21 21 ARG H H 21 8.086 8.086 7.473 0.613 18299 5042 1 14 . 1 1 22 22 VAL N N 22 112.224 112.224 120.105 -7.881 18299 5043 1 14 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.634 0.388 18299 5044 1 14 . 1 1 22 22 VAL C C 22 179.211 179.211 177.274 1.937 18299 5045 1 14 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.350 -0.404 18299 5046 1 14 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.982 -0.319 18299 5047 1 14 . 1 1 22 22 VAL H H 22 7.943 7.943 7.634 0.309 18299 5048 1 14 . 1 1 23 23 LEU N N 23 122.146 122.146 122.171 -0.025 18299 5049 1 14 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.997 -0.011 18299 5050 1 14 . 1 1 23 23 LEU C C 23 178.347 178.347 178.435 -0.088 18299 5051 1 14 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.511 -0.262 18299 5052 1 14 . 1 1 23 23 LEU CB C 23 40.850 40.850 40.623 0.227 18299 5053 1 14 . 1 1 23 23 LEU H H 23 7.692 7.692 8.169 -0.477 18299 5054 1 14 . 1 1 24 24 ASN N N 24 118.578 118.578 117.730 0.848 18299 5055 1 14 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.412 0.117 18299 5056 1 14 . 1 1 24 24 ASN C C 24 178.060 178.060 176.727 1.333 18299 5057 1 14 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.150 -0.544 18299 5058 1 14 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.271 -1.079 18299 5059 1 14 . 1 1 24 24 ASN H H 24 8.683 8.683 7.964 0.719 18299 5060 1 14 . 1 1 25 25 LYS N N 25 118.395 118.395 118.904 -0.509 18299 5061 1 14 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.116 -0.052 18299 5062 1 14 . 1 1 25 25 LYS C C 25 177.770 177.770 178.664 -0.894 18299 5063 1 14 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.350 -0.105 18299 5064 1 14 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.398 -0.212 18299 5065 1 14 . 1 1 25 25 LYS H H 25 7.469 7.469 7.320 0.149 18299 5066 1 14 . 1 1 26 26 LEU N N 26 121.105 121.105 118.673 2.432 18299 5067 1 14 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.195 -0.104 18299 5068 1 14 . 1 1 26 26 LEU C C 26 178.609 178.609 178.170 0.439 18299 5069 1 14 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.797 0.945 18299 5070 1 14 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.087 0.104 18299 5071 1 14 . 1 1 26 26 LEU H H 26 7.209 7.209 7.936 -0.727 18299 5072 1 14 . 1 1 27 27 GLY N N 27 104.036 104.036 104.141 -0.105 18299 5073 1 14 . 1 1 27 27 GLY C C 27 173.508 173.508 175.090 -1.582 18299 5074 1 14 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.024 -0.791 18299 5075 1 14 . 1 1 27 27 GLY H H 27 7.691 7.691 8.397 -0.706 18299 5076 1 14 . 1 1 28 28 GLY N N 28 106.538 106.538 109.075 -2.537 18299 5077 1 14 . 1 1 28 28 GLY C C 28 175.737 175.737 174.167 1.570 18299 5078 1 14 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.978 1.639 18299 5079 1 14 . 1 1 28 28 GLY H H 28 8.603 8.603 7.714 0.889 18299 5080 1 14 . 1 1 29 29 VAL N N 29 112.116 112.116 113.424 -1.308 18299 5081 1 14 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.432 0.517 18299 5082 1 14 . 1 1 29 29 VAL C C 29 174.487 174.487 175.226 -0.739 18299 5083 1 14 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.749 0.989 18299 5084 1 14 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.047 2.467 18299 5085 1 14 . 1 1 29 29 VAL H H 29 7.974 7.974 7.260 0.714 18299 5086 1 14 . 1 1 30 30 LYS N N 30 124.568 124.568 122.004 2.564 18299 5087 1 14 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.458 0.190 18299 5088 1 14 . 1 1 30 30 LYS C C 30 174.964 174.964 175.677 -0.713 18299 5089 1 14 . 1 1 30 30 LYS CA C 30 56.003 56.003 56.831 -0.828 18299 5090 1 14 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.042 1.597 18299 5091 1 14 . 1 1 30 30 LYS H H 30 8.370 8.370 8.664 -0.294 18299 5092 1 14 . 1 1 31 31 TYR N N 31 121.504 121.504 120.458 1.046 18299 5093 1 14 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.488 0.496 18299 5094 1 14 . 1 1 31 31 TYR C C 31 172.758 172.758 174.298 -1.540 18299 5095 1 14 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.087 0.038 18299 5096 1 14 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.746 1.035 18299 5097 1 14 . 1 1 31 31 TYR H H 31 8.531 8.531 8.051 0.480 18299 5098 1 14 . 1 1 32 32 ASP N N 32 119.262 119.262 120.989 -1.727 18299 5099 1 14 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.899 0.093 18299 5100 1 14 . 1 1 32 32 ASP C C 32 174.839 174.839 174.747 0.092 18299 5101 1 14 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.398 -0.115 18299 5102 1 14 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.392 0.459 18299 5103 1 14 . 1 1 32 32 ASP H H 32 8.750 8.750 8.366 0.384 18299 5104 1 14 . 1 1 33 33 ILE N N 33 124.951 124.951 120.352 4.599 18299 5105 1 14 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.629 -0.270 18299 5106 1 14 . 1 1 33 33 ILE C C 33 173.855 173.855 174.712 -0.857 18299 5107 1 14 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.068 1.865 18299 5108 1 14 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.352 0.282 18299 5109 1 14 . 1 1 33 33 ILE H H 33 9.001 9.001 8.423 0.578 18299 5110 1 14 . 1 1 34 34 ASP N N 34 130.202 130.202 128.309 1.893 18299 5111 1 14 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.050 -0.075 18299 5112 1 14 . 1 1 34 34 ASP C C 34 175.761 175.761 175.426 0.335 18299 5113 1 14 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.230 -1.421 18299 5114 1 14 . 1 1 34 34 ASP CB C 34 41.241 41.241 42.031 -0.790 18299 5115 1 14 . 1 1 34 34 ASP H H 34 9.033 9.033 8.339 0.694 18299 5116 1 14 . 1 1 35 35 LEU N N 35 123.830 123.830 126.191 -2.361 18299 5117 1 14 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.275 0.035 18299 5118 1 14 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.296 0.566 18299 5119 1 14 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.342 -0.990 18299 5120 1 14 . 1 1 35 35 LEU H H 35 8.888 8.888 8.839 0.049 18299 5121 1 14 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.236 0.060 18299 5122 1 14 . 1 1 36 36 PRO C C 36 177.959 177.959 177.842 0.117 18299 5123 1 14 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.482 0.904 18299 5124 1 14 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.322 0.171 18299 5125 1 14 . 1 1 37 37 ASN N N 37 110.308 110.308 113.615 -3.307 18299 5126 1 14 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.699 0.200 18299 5127 1 14 . 1 1 37 37 ASN C C 37 172.880 172.880 174.991 -2.111 18299 5128 1 14 . 1 1 37 37 ASN CA C 37 52.608 52.608 53.110 -0.502 18299 5129 1 14 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.458 -0.913 18299 5130 1 14 . 1 1 37 37 ASN H H 37 7.255 7.255 7.512 -0.257 18299 5131 1 14 . 1 1 38 38 LYS N N 38 119.648 119.648 117.209 2.439 18299 5132 1 14 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.924 -0.092 18299 5133 1 14 . 1 1 38 38 LYS C C 38 175.375 175.375 175.049 0.326 18299 5134 1 14 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.436 0.792 18299 5135 1 14 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.708 -0.256 18299 5136 1 14 . 1 1 38 38 LYS H H 38 8.328 8.328 8.033 0.295 18299 5137 1 14 . 1 1 39 39 LYS N N 39 116.950 116.950 118.300 -1.350 18299 5138 1 14 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.552 1.102 18299 5139 1 14 . 1 1 39 39 LYS C C 39 174.797 174.797 174.405 0.392 18299 5140 1 14 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.882 0.022 18299 5141 1 14 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.642 0.977 18299 5142 1 14 . 1 1 39 39 LYS H H 39 8.203 8.203 7.529 0.674 18299 5143 1 14 . 1 1 40 40 VAL N N 40 121.279 121.279 121.671 -0.392 18299 5144 1 14 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.732 0.242 18299 5145 1 14 . 1 1 40 40 VAL C C 40 173.992 173.992 174.386 -0.394 18299 5146 1 14 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.430 0.261 18299 5147 1 14 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.069 1.748 18299 5148 1 14 . 1 1 40 40 VAL H H 40 9.115 9.115 8.376 0.739 18299 5149 1 14 . 1 1 41 41 CYS N N 41 126.779 126.779 128.184 -1.405 18299 5150 1 14 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.918 0.717 18299 5151 1 14 . 1 1 41 41 CYS C C 41 174.839 174.839 172.865 1.974 18299 5152 1 14 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.283 -0.312 18299 5153 1 14 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.497 0.641 18299 5154 1 14 . 1 1 41 41 CYS H H 41 8.767 8.767 8.404 0.363 18299 5155 1 14 . 1 1 42 42 ILE N N 42 125.941 125.941 128.786 -2.845 18299 5156 1 14 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.945 0.034 18299 5157 1 14 . 1 1 42 42 ILE C C 42 174.113 174.113 173.103 1.010 18299 5158 1 14 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.391 1.838 18299 5159 1 14 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.060 0.379 18299 5160 1 14 . 1 1 42 42 ILE H H 42 9.697 9.697 9.137 0.560 18299 5161 1 14 . 1 1 43 43 GLU N N 43 130.488 130.488 129.882 0.606 18299 5162 1 14 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.772 0.684 18299 5163 1 14 . 1 1 43 43 GLU C C 43 176.185 176.185 174.778 1.407 18299 5164 1 14 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.534 -0.649 18299 5165 1 14 . 1 1 43 43 GLU CB C 43 32.026 32.026 32.080 -0.054 18299 5166 1 14 . 1 1 43 43 GLU H H 43 9.510 9.510 8.439 1.071 18299 5167 1 14 . 1 1 44 44 SER N N 44 119.391 119.391 122.847 -3.456 18299 5168 1 14 . 1 1 44 44 SER HA H 44 4.868 4.868 4.864 0.004 18299 5169 1 14 . 1 1 44 44 SER C C 44 173.026 173.026 174.999 -1.973 18299 5170 1 14 . 1 1 44 44 SER CA C 44 59.104 59.104 56.072 3.032 18299 5171 1 14 . 1 1 44 44 SER CB C 44 66.159 66.159 66.339 -0.180 18299 5172 1 14 . 1 1 44 44 SER H H 44 8.681 8.681 8.115 0.566 18299 5173 1 14 . 1 1 45 45 GLU N N 45 121.420 121.420 120.556 0.864 18299 5174 1 14 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.259 0.295 18299 5175 1 14 . 1 1 45 45 GLU C C 45 177.473 177.473 177.193 0.280 18299 5176 1 14 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.962 -2.756 18299 5177 1 14 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.846 0.005 18299 5178 1 14 . 1 1 45 45 GLU H H 45 9.026 9.026 8.878 0.148 18299 5179 1 14 . 1 1 46 46 HIS N N 46 119.653 119.653 116.339 3.314 18299 5180 1 14 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.763 -0.120 18299 5181 1 14 . 1 1 46 46 HIS C C 46 175.514 175.514 175.049 0.465 18299 5182 1 14 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.439 0.476 18299 5183 1 14 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.265 0.460 18299 5184 1 14 . 1 1 46 46 HIS H H 46 8.423 8.423 7.586 0.837 18299 5185 1 14 . 1 1 47 47 SER N N 47 116.562 116.562 115.129 1.433 18299 5186 1 14 . 1 1 47 47 SER HA H 47 4.349 4.349 4.408 -0.059 18299 5187 1 14 . 1 1 47 47 SER C C 47 174.638 174.638 174.319 0.319 18299 5188 1 14 . 1 1 47 47 SER CA C 47 57.438 57.438 59.906 -2.468 18299 5189 1 14 . 1 1 47 47 SER CB C 47 65.022 65.022 62.870 2.152 18299 5190 1 14 . 1 1 47 47 SER H H 47 9.093 9.093 8.763 0.330 18299 5191 1 14 . 1 1 48 48 MET N N 48 121.402 121.402 123.121 -1.719 18299 5192 1 14 . 1 1 48 48 MET HA H 48 3.412 3.412 4.360 -0.948 18299 5193 1 14 . 1 1 48 48 MET C C 48 177.797 177.797 174.309 3.488 18299 5194 1 14 . 1 1 48 48 MET CA C 48 60.298 60.298 56.167 4.130 18299 5195 1 14 . 1 1 48 48 MET CB C 48 30.776 30.776 32.206 -1.430 18299 5196 1 14 . 1 1 48 48 MET H H 48 8.920 8.920 9.147 -0.227 18299 5197 1 14 . 1 1 49 49 ASP N N 49 116.251 116.251 113.029 3.222 18299 5198 1 14 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.624 -0.422 18299 5199 1 14 . 1 1 49 49 ASP C C 49 179.291 179.291 176.477 2.814 18299 5200 1 14 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.351 2.204 18299 5201 1 14 . 1 1 49 49 ASP CB C 49 40.852 40.852 39.810 1.042 18299 5202 1 14 . 1 1 49 49 ASP H H 49 8.345 8.345 8.086 0.259 18299 5203 1 14 . 1 1 50 50 THR N N 50 120.023 120.023 116.453 3.570 18299 5204 1 14 . 1 1 50 50 THR HA H 50 4.305 4.305 4.139 0.166 18299 5205 1 14 . 1 1 50 50 THR C C 50 177.416 177.416 176.010 1.406 18299 5206 1 14 . 1 1 50 50 THR CA C 50 66.392 66.392 64.820 1.572 18299 5207 1 14 . 1 1 50 50 THR CB C 50 68.452 68.452 68.663 -0.211 18299 5208 1 14 . 1 1 50 50 THR H H 50 8.019 8.019 8.228 -0.209 18299 5209 1 14 . 1 1 51 51 LEU N N 51 124.562 124.562 121.493 3.069 18299 5210 1 14 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.827 -0.319 18299 5211 1 14 . 1 1 51 51 LEU C C 51 177.386 177.386 178.281 -0.895 18299 5212 1 14 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.207 0.256 18299 5213 1 14 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.964 2.404 18299 5214 1 14 . 1 1 51 51 LEU H H 51 8.043 8.043 7.935 0.108 18299 5215 1 14 . 1 1 52 52 LEU N N 52 120.718 120.718 115.884 4.834 18299 5216 1 14 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.935 -0.389 18299 5217 1 14 . 1 1 52 52 LEU C C 52 178.065 178.065 178.626 -0.561 18299 5218 1 14 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.787 0.684 18299 5219 1 14 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.389 2.312 18299 5220 1 14 . 1 1 52 52 LEU H H 52 8.993 8.993 7.475 1.518 18299 5221 1 14 . 1 1 53 53 ALA N N 53 118.641 118.641 122.058 -3.417 18299 5222 1 14 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.926 -0.013 18299 5223 1 14 . 1 1 53 53 ALA C C 53 180.677 180.677 179.214 1.463 18299 5224 1 14 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.154 -0.119 18299 5225 1 14 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.021 0.148 18299 5226 1 14 . 1 1 53 53 ALA H H 53 7.859 7.859 7.640 0.219 18299 5227 1 14 . 1 1 54 54 THR N N 54 114.407 114.407 114.449 -0.042 18299 5228 1 14 . 1 1 54 54 THR HA H 54 3.662 3.662 4.012 -0.350 18299 5229 1 14 . 1 1 54 54 THR C C 54 175.694 175.694 177.091 -1.397 18299 5230 1 14 . 1 1 54 54 THR CA C 54 67.449 67.449 66.738 0.711 18299 5231 1 14 . 1 1 54 54 THR CB C 54 68.226 68.226 69.008 -0.782 18299 5232 1 14 . 1 1 54 54 THR H H 54 7.688 7.688 7.352 0.336 18299 5233 1 14 . 1 1 55 55 LEU N N 55 119.491 119.491 122.099 -2.608 18299 5234 1 14 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.970 -0.168 18299 5235 1 14 . 1 1 55 55 LEU C C 55 179.660 179.660 178.139 1.521 18299 5236 1 14 . 1 1 55 55 LEU CA C 55 57.851 57.851 58.151 -0.299 18299 5237 1 14 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.867 1.139 18299 5238 1 14 . 1 1 55 55 LEU H H 55 8.104 8.104 8.244 -0.140 18299 5239 1 14 . 1 1 56 56 LYS N N 56 119.317 119.317 116.032 3.285 18299 5240 1 14 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.138 -0.169 18299 5241 1 14 . 1 1 56 56 LYS C C 56 179.227 179.227 177.749 1.478 18299 5242 1 14 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.914 1.862 18299 5243 1 14 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.833 0.389 18299 5244 1 14 . 1 1 56 56 LYS H H 56 8.333 8.333 8.614 -0.281 18299 5245 1 14 . 1 1 57 57 LYS N N 57 120.188 120.188 119.821 0.367 18299 5246 1 14 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.104 0.058 18299 5247 1 14 . 1 1 57 57 LYS C C 57 178.128 178.128 177.809 0.319 18299 5248 1 14 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.836 0.247 18299 5249 1 14 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.392 0.060 18299 5250 1 14 . 1 1 57 57 LYS H H 57 7.646 7.646 7.514 0.132 18299 5251 1 14 . 1 1 58 58 THR N N 58 106.563 106.563 110.416 -3.853 18299 5252 1 14 . 1 1 58 58 THR HA H 58 4.277 4.277 4.378 -0.101 18299 5253 1 14 . 1 1 58 58 THR C C 58 175.933 175.933 175.055 0.878 18299 5254 1 14 . 1 1 58 58 THR CA C 58 63.742 63.742 61.996 1.746 18299 5255 1 14 . 1 1 58 58 THR CB C 58 71.108 71.108 69.624 1.484 18299 5256 1 14 . 1 1 58 58 THR H H 58 7.483 7.483 7.744 -0.261 18299 5257 1 14 . 1 1 59 59 GLY N N 59 108.569 108.569 109.991 -1.422 18299 5258 1 14 . 1 1 59 59 GLY C C 59 173.171 173.171 174.271 -1.100 18299 5259 1 14 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.292 -0.301 18299 5260 1 14 . 1 1 59 59 GLY H H 59 7.774 7.774 7.347 0.427 18299 5261 1 14 . 1 1 60 60 ALA N N 60 122.420 122.420 122.534 -0.114 18299 5262 1 14 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.306 0.200 18299 5263 1 14 . 1 1 60 60 ALA C C 60 177.155 177.155 177.657 -0.502 18299 5264 1 14 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.599 -0.544 18299 5265 1 14 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.082 0.226 18299 5266 1 14 . 1 1 60 60 ALA H H 60 7.524 7.524 7.454 0.070 18299 5267 1 14 . 1 1 61 61 THR N N 61 117.690 117.690 117.463 0.227 18299 5268 1 14 . 1 1 61 61 THR HA H 61 4.321 4.321 4.167 0.154 18299 5269 1 14 . 1 1 61 61 THR C C 61 174.635 174.635 174.043 0.592 18299 5270 1 14 . 1 1 61 61 THR CA C 61 63.922 63.922 63.598 0.324 18299 5271 1 14 . 1 1 61 61 THR CB C 61 68.904 68.904 68.624 0.280 18299 5272 1 14 . 1 1 61 61 THR H H 61 8.491 8.491 8.578 -0.087 18299 5273 1 14 . 1 1 62 62 VAL N N 62 129.030 129.030 126.752 2.278 18299 5274 1 14 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.377 0.937 18299 5275 1 14 . 1 1 62 62 VAL C C 62 174.947 174.947 175.393 -0.446 18299 5276 1 14 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.651 -1.336 18299 5277 1 14 . 1 1 62 62 VAL CB C 62 35.664 35.664 33.955 1.710 18299 5278 1 14 . 1 1 62 62 VAL H H 62 8.709 8.709 8.333 0.376 18299 5279 1 14 . 1 1 63 63 SER N N 63 119.588 119.588 123.232 -3.644 18299 5280 1 14 . 1 1 63 63 SER HA H 63 4.865 4.865 4.837 0.028 18299 5281 1 14 . 1 1 63 63 SER C C 63 173.019 173.019 172.203 0.816 18299 5282 1 14 . 1 1 63 63 SER CA C 63 57.347 57.347 57.116 0.231 18299 5283 1 14 . 1 1 63 63 SER CB C 63 65.605 65.605 65.599 0.006 18299 5284 1 14 . 1 1 63 63 SER H H 63 8.988 8.988 8.665 0.323 18299 5285 1 14 . 1 1 64 64 TYR N N 64 125.400 125.400 125.150 0.250 18299 5286 1 14 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.219 1.360 18299 5287 1 14 . 1 1 64 64 TYR C C 64 175.523 175.523 174.202 1.321 18299 5288 1 14 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.209 1.245 18299 5289 1 14 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.571 0.451 18299 5290 1 14 . 1 1 64 64 TYR H H 64 9.391 9.391 8.605 0.786 18299 5291 1 14 . 1 1 65 65 LEU N N 65 128.500 128.500 126.491 2.009 18299 5292 1 14 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.046 0.273 18299 5293 1 14 . 1 1 65 65 LEU C C 65 176.473 176.473 177.468 -0.995 18299 5294 1 14 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.231 -0.554 18299 5295 1 14 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.481 -0.423 18299 5296 1 14 . 1 1 65 65 LEU H H 65 8.304 8.304 8.330 -0.026 18299 5297 1 14 . 1 1 66 66 GLY N N 66 105.737 105.737 105.163 0.574 18299 5298 1 14 . 1 1 66 66 GLY C C 66 171.330 171.330 172.325 -0.995 18299 5299 1 14 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.593 0.443 18299 5300 1 14 . 1 1 66 66 GLY H H 66 5.977 5.977 7.864 -1.887 18299 5301 1 14 . 1 1 67 67 LEU N N 67 120.133 120.133 121.169 -1.036 18299 5302 1 14 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.676 0.106 18299 5303 1 14 . 1 1 67 67 LEU C C 67 177.339 177.339 176.953 0.386 18299 5304 1 14 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.931 0.445 18299 5305 1 14 . 1 1 67 67 LEU CB C 67 43.881 43.881 41.686 2.195 18299 5306 1 14 . 1 1 67 67 LEU H H 67 7.947 7.947 8.505 -0.558 18299 5307 1 15 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.561 -0.308 18299 5308 1 15 . 1 1 2 2 PRO C C 2 174.299 174.299 175.617 -1.318 18299 5309 1 15 . 1 1 2 2 PRO CA C 2 63.335 63.335 63.120 0.215 18299 5310 1 15 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.344 0.289 18299 5311 1 15 . 1 1 3 3 LYS N N 3 121.020 121.020 120.118 0.902 18299 5312 1 15 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.600 0.334 18299 5313 1 15 . 1 1 3 3 LYS C C 3 175.055 175.055 175.006 0.049 18299 5314 1 15 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.041 -0.147 18299 5315 1 15 . 1 1 3 3 LYS CB C 3 34.382 34.382 35.258 -0.876 18299 5316 1 15 . 1 1 3 3 LYS H H 3 8.038 8.038 8.217 -0.179 18299 5317 1 15 . 1 1 4 4 HIS N N 4 122.815 122.815 121.924 0.891 18299 5318 1 15 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.025 -0.066 18299 5319 1 15 . 1 1 4 4 HIS C C 4 174.771 174.771 173.754 1.017 18299 5320 1 15 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.538 1.504 18299 5321 1 15 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.399 2.845 18299 5322 1 15 . 1 1 4 4 HIS H H 4 8.908 8.908 9.021 -0.113 18299 5323 1 15 . 1 1 5 5 GLU N N 5 122.404 122.404 127.956 -5.552 18299 5324 1 15 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.605 0.688 18299 5325 1 15 . 1 1 5 5 GLU C C 5 174.389 174.389 174.612 -0.223 18299 5326 1 15 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.765 0.083 18299 5327 1 15 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.434 1.308 18299 5328 1 15 . 1 1 5 5 GLU H H 5 8.951 8.951 8.489 0.462 18299 5329 1 15 . 1 1 6 6 PHE N N 6 119.234 119.234 124.931 -5.697 18299 5330 1 15 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.803 0.382 18299 5331 1 15 . 1 1 6 6 PHE C C 6 175.130 175.130 173.560 1.570 18299 5332 1 15 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.841 -0.095 18299 5333 1 15 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.814 -1.132 18299 5334 1 15 . 1 1 6 6 PHE H H 6 9.075 9.075 8.150 0.925 18299 5335 1 15 . 1 1 7 7 SER N N 7 118.028 118.028 120.148 -2.120 18299 5336 1 15 . 1 1 7 7 SER HA H 7 5.322 5.322 4.782 0.540 18299 5337 1 15 . 1 1 7 7 SER C C 7 174.651 174.651 173.015 1.636 18299 5338 1 15 . 1 1 7 7 SER CA C 7 56.636 56.636 56.674 -0.038 18299 5339 1 15 . 1 1 7 7 SER CB C 7 63.983 63.983 63.866 0.117 18299 5340 1 15 . 1 1 7 7 SER H H 7 9.346 9.346 8.341 1.005 18299 5341 1 15 . 1 1 8 8 VAL N N 8 125.476 125.476 124.761 0.715 18299 5342 1 15 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.698 -0.015 18299 5343 1 15 . 1 1 8 8 VAL C C 8 174.360 174.360 174.677 -0.317 18299 5344 1 15 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.657 0.363 18299 5345 1 15 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.340 -0.119 18299 5346 1 15 . 1 1 8 8 VAL H H 8 8.129 8.129 8.558 -0.429 18299 5347 1 15 . 1 1 9 9 ASP N N 9 124.989 124.989 130.072 -5.083 18299 5348 1 15 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.785 -0.089 18299 5349 1 15 . 1 1 9 9 ASP C C 9 175.278 175.278 175.625 -0.347 18299 5350 1 15 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.840 0.171 18299 5351 1 15 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.617 -1.096 18299 5352 1 15 . 1 1 9 9 ASP H H 9 8.285 8.285 8.121 0.164 18299 5353 1 15 . 1 1 10 10 MET N N 10 125.927 125.927 123.414 2.513 18299 5354 1 15 . 1 1 10 10 MET HA H 10 4.712 4.712 4.421 0.291 18299 5355 1 15 . 1 1 10 10 MET C C 10 175.748 175.748 176.536 -0.788 18299 5356 1 15 . 1 1 10 10 MET CA C 10 54.825 54.825 55.978 -1.153 18299 5357 1 15 . 1 1 10 10 MET CB C 10 34.030 34.030 31.682 2.348 18299 5358 1 15 . 1 1 10 10 MET H H 10 8.096 8.096 8.586 -0.490 18299 5359 1 15 . 1 1 11 11 THR N N 11 116.339 116.339 116.854 -0.515 18299 5360 1 15 . 1 1 11 11 THR HA H 11 4.326 4.326 4.435 -0.109 18299 5361 1 15 . 1 1 11 11 THR C C 11 174.832 174.832 175.620 -0.788 18299 5362 1 15 . 1 1 11 11 THR CA C 11 63.908 63.908 62.806 1.103 18299 5363 1 15 . 1 1 11 11 THR CB C 11 69.529 69.529 69.240 0.289 18299 5364 1 15 . 1 1 11 11 THR H H 11 8.886 8.886 8.755 0.131 18299 5365 1 15 . 1 1 12 12 CYS N N 12 117.534 117.534 121.847 -4.313 18299 5366 1 15 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.721 0.074 18299 5367 1 15 . 1 1 12 12 CYS C C 12 174.892 174.892 176.442 -1.550 18299 5368 1 15 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.558 -0.943 18299 5369 1 15 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.526 1.955 18299 5370 1 15 . 1 1 12 12 CYS H H 12 8.183 8.183 8.218 -0.035 18299 5371 1 15 . 1 1 13 13 GLY N N 13 110.516 110.516 111.174 -0.658 18299 5372 1 15 . 1 1 13 13 GLY C C 13 175.328 175.328 176.304 -0.976 18299 5373 1 15 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.786 -1.205 18299 5374 1 15 . 1 1 13 13 GLY H H 13 8.737 8.737 8.341 0.396 18299 5375 1 15 . 1 1 14 14 GLY N N 14 110.521 110.521 108.817 1.704 18299 5376 1 15 . 1 1 14 14 GLY C C 14 175.741 175.741 175.898 -0.157 18299 5377 1 15 . 1 1 14 14 GLY CA C 14 46.006 46.006 47.009 -1.003 18299 5378 1 15 . 1 1 14 14 GLY H H 14 8.677 8.677 8.520 0.157 18299 5379 1 15 . 1 1 15 15 CYS N N 15 121.304 121.304 120.449 0.855 18299 5380 1 15 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.579 -0.216 18299 5381 1 15 . 1 1 15 15 CYS C C 15 176.557 176.557 176.444 0.113 18299 5382 1 15 . 1 1 15 15 CYS CA C 15 61.356 61.356 58.568 2.788 18299 5383 1 15 . 1 1 15 15 CYS CB C 15 28.522 28.522 26.519 2.003 18299 5384 1 15 . 1 1 15 15 CYS H H 15 7.853 7.853 8.334 -0.481 18299 5385 1 15 . 1 1 16 16 ALA N N 16 121.907 121.907 123.791 -1.884 18299 5386 1 15 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.116 -0.094 18299 5387 1 15 . 1 1 16 16 ALA C C 16 180.089 180.089 179.294 0.795 18299 5388 1 15 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.908 0.886 18299 5389 1 15 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.054 0.228 18299 5390 1 15 . 1 1 16 16 ALA H H 16 8.196 8.196 8.691 -0.495 18299 5391 1 15 . 1 1 17 17 GLU N N 17 118.976 118.976 119.268 -0.292 18299 5392 1 15 . 1 1 17 17 GLU HA H 17 4.065 4.065 3.954 0.111 18299 5393 1 15 . 1 1 17 17 GLU C C 17 178.541 178.541 178.379 0.162 18299 5394 1 15 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.154 0.526 18299 5395 1 15 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.117 0.064 18299 5396 1 15 . 1 1 17 17 GLU H H 17 8.518 8.518 7.831 0.687 18299 5397 1 15 . 1 1 18 18 ALA N N 18 122.909 122.909 120.738 2.171 18299 5398 1 15 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.157 -0.068 18299 5399 1 15 . 1 1 18 18 ALA C C 18 179.665 179.665 179.984 -0.319 18299 5400 1 15 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.635 0.449 18299 5401 1 15 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.023 0.122 18299 5402 1 15 . 1 1 18 18 ALA H H 18 7.863 7.863 7.370 0.493 18299 5403 1 15 . 1 1 19 19 VAL N N 19 118.050 118.050 118.382 -0.332 18299 5404 1 15 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.616 -0.319 18299 5405 1 15 . 1 1 19 19 VAL C C 19 176.602 176.602 178.171 -1.569 18299 5406 1 15 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.447 0.854 18299 5407 1 15 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.275 0.196 18299 5408 1 15 . 1 1 19 19 VAL H H 19 7.989 7.989 7.787 0.202 18299 5409 1 15 . 1 1 20 20 SER N N 20 113.425 113.425 115.330 -1.905 18299 5410 1 15 . 1 1 20 20 SER HA H 20 4.086 4.086 3.925 0.161 18299 5411 1 15 . 1 1 20 20 SER C C 20 175.600 175.600 176.413 -0.813 18299 5412 1 15 . 1 1 20 20 SER CA C 20 62.064 62.064 61.486 0.578 18299 5413 1 15 . 1 1 20 20 SER CB C 20 62.443 62.443 62.768 -0.325 18299 5414 1 15 . 1 1 20 20 SER H H 20 7.808 7.808 7.767 0.041 18299 5415 1 15 . 1 1 21 21 ARG N N 21 119.858 119.858 121.483 -1.625 18299 5416 1 15 . 1 1 21 21 ARG HA H 21 4.004 4.004 4.025 -0.021 18299 5417 1 15 . 1 1 21 21 ARG C C 21 180.231 180.231 178.475 1.756 18299 5418 1 15 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.167 0.903 18299 5419 1 15 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.114 0.362 18299 5420 1 15 . 1 1 21 21 ARG H H 21 8.086 8.086 7.400 0.686 18299 5421 1 15 . 1 1 22 22 VAL N N 22 112.224 112.224 119.695 -7.471 18299 5422 1 15 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.670 0.352 18299 5423 1 15 . 1 1 22 22 VAL C C 22 179.211 179.211 177.865 1.346 18299 5424 1 15 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.141 -0.195 18299 5425 1 15 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.413 -0.750 18299 5426 1 15 . 1 1 22 22 VAL H H 22 7.943 7.943 7.655 0.288 18299 5427 1 15 . 1 1 23 23 LEU N N 23 122.146 122.146 122.217 -0.071 18299 5428 1 15 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.027 -0.041 18299 5429 1 15 . 1 1 23 23 LEU C C 23 178.347 178.347 177.906 0.441 18299 5430 1 15 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.197 0.052 18299 5431 1 15 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.332 -0.482 18299 5432 1 15 . 1 1 23 23 LEU H H 23 7.692 7.692 8.084 -0.392 18299 5433 1 15 . 1 1 24 24 ASN N N 24 118.578 118.578 116.786 1.792 18299 5434 1 15 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.458 0.071 18299 5435 1 15 . 1 1 24 24 ASN C C 24 178.060 178.060 176.834 1.226 18299 5436 1 15 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.989 -1.383 18299 5437 1 15 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.184 -0.992 18299 5438 1 15 . 1 1 24 24 ASN H H 24 8.683 8.683 8.121 0.562 18299 5439 1 15 . 1 1 25 25 LYS N N 25 118.395 118.395 119.210 -0.815 18299 5440 1 15 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.109 -0.045 18299 5441 1 15 . 1 1 25 25 LYS C C 25 177.770 177.770 178.509 -0.739 18299 5442 1 15 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.734 -0.489 18299 5443 1 15 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.409 -0.223 18299 5444 1 15 . 1 1 25 25 LYS H H 25 7.469 7.469 7.523 -0.054 18299 5445 1 15 . 1 1 26 26 LEU N N 26 121.105 121.105 118.141 2.964 18299 5446 1 15 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.272 -0.181 18299 5447 1 15 . 1 1 26 26 LEU C C 26 178.609 178.609 178.166 0.443 18299 5448 1 15 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.459 1.283 18299 5449 1 15 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.023 0.168 18299 5450 1 15 . 1 1 26 26 LEU H H 26 7.209 7.209 7.365 -0.156 18299 5451 1 15 . 1 1 27 27 GLY N N 27 104.036 104.036 103.232 0.804 18299 5452 1 15 . 1 1 27 27 GLY C C 27 173.508 173.508 174.931 -1.423 18299 5453 1 15 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.037 -0.804 18299 5454 1 15 . 1 1 27 27 GLY H H 27 7.691 7.691 8.304 -0.613 18299 5455 1 15 . 1 1 28 28 GLY N N 28 106.538 106.538 109.064 -2.526 18299 5456 1 15 . 1 1 28 28 GLY C C 28 175.737 175.737 173.921 1.816 18299 5457 1 15 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.225 1.393 18299 5458 1 15 . 1 1 28 28 GLY H H 28 8.603 8.603 7.835 0.768 18299 5459 1 15 . 1 1 29 29 VAL N N 29 112.116 112.116 111.605 0.511 18299 5460 1 15 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.360 0.589 18299 5461 1 15 . 1 1 29 29 VAL C C 29 174.487 174.487 174.637 -0.150 18299 5462 1 15 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.965 0.773 18299 5463 1 15 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.298 2.216 18299 5464 1 15 . 1 1 29 29 VAL H H 29 7.974 7.974 7.425 0.549 18299 5465 1 15 . 1 1 30 30 LYS N N 30 124.568 124.568 121.364 3.204 18299 5466 1 15 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.387 0.261 18299 5467 1 15 . 1 1 30 30 LYS C C 30 174.964 174.964 175.315 -0.351 18299 5468 1 15 . 1 1 30 30 LYS CA C 30 56.003 56.003 56.317 -0.314 18299 5469 1 15 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.578 2.061 18299 5470 1 15 . 1 1 30 30 LYS H H 30 8.370 8.370 8.525 -0.155 18299 5471 1 15 . 1 1 31 31 TYR N N 31 121.504 121.504 119.088 2.416 18299 5472 1 15 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.468 0.516 18299 5473 1 15 . 1 1 31 31 TYR C C 31 172.758 172.758 173.969 -1.211 18299 5474 1 15 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.162 -0.038 18299 5475 1 15 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.824 0.957 18299 5476 1 15 . 1 1 31 31 TYR H H 31 8.531 8.531 7.813 0.718 18299 5477 1 15 . 1 1 32 32 ASP N N 32 119.262 119.262 121.846 -2.584 18299 5478 1 15 . 1 1 32 32 ASP HA H 32 4.992 4.992 5.048 -0.056 18299 5479 1 15 . 1 1 32 32 ASP C C 32 174.839 174.839 174.685 0.154 18299 5480 1 15 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.851 -0.568 18299 5481 1 15 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.466 0.385 18299 5482 1 15 . 1 1 32 32 ASP H H 32 8.750 8.750 9.028 -0.278 18299 5483 1 15 . 1 1 33 33 ILE N N 33 124.951 124.951 121.579 3.372 18299 5484 1 15 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.674 -0.315 18299 5485 1 15 . 1 1 33 33 ILE C C 33 173.855 173.855 174.998 -1.143 18299 5486 1 15 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.434 2.498 18299 5487 1 15 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.029 0.605 18299 5488 1 15 . 1 1 33 33 ILE H H 33 9.001 9.001 8.514 0.487 18299 5489 1 15 . 1 1 34 34 ASP N N 34 130.202 130.202 127.346 2.856 18299 5490 1 15 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.048 -0.073 18299 5491 1 15 . 1 1 34 34 ASP C C 34 175.761 175.761 176.580 -0.819 18299 5492 1 15 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.487 -1.678 18299 5493 1 15 . 1 1 34 34 ASP CB C 34 41.241 41.241 42.217 -0.976 18299 5494 1 15 . 1 1 34 34 ASP H H 34 9.033 9.033 8.255 0.778 18299 5495 1 15 . 1 1 35 35 LEU N N 35 123.830 123.830 125.898 -2.068 18299 5496 1 15 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.305 0.005 18299 5497 1 15 . 1 1 35 35 LEU CA C 35 59.862 59.862 58.746 1.116 18299 5498 1 15 . 1 1 35 35 LEU CB C 35 39.352 39.352 39.413 -0.061 18299 5499 1 15 . 1 1 35 35 LEU H H 35 8.888 8.888 8.703 0.185 18299 5500 1 15 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.324 -0.028 18299 5501 1 15 . 1 1 36 36 PRO C C 36 177.959 177.959 177.563 0.396 18299 5502 1 15 . 1 1 36 36 PRO CA C 36 66.386 66.386 64.816 1.570 18299 5503 1 15 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.505 -0.011 18299 5504 1 15 . 1 1 37 37 ASN N N 37 110.308 110.308 113.864 -3.556 18299 5505 1 15 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.757 0.142 18299 5506 1 15 . 1 1 37 37 ASN C C 37 172.880 172.880 175.262 -2.382 18299 5507 1 15 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.930 -0.322 18299 5508 1 15 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.964 -1.419 18299 5509 1 15 . 1 1 37 37 ASN H H 37 7.255 7.255 7.615 -0.360 18299 5510 1 15 . 1 1 38 38 LYS N N 38 119.648 119.648 116.592 3.056 18299 5511 1 15 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.836 -0.004 18299 5512 1 15 . 1 1 38 38 LYS C C 38 175.375 175.375 174.467 0.908 18299 5513 1 15 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.551 0.677 18299 5514 1 15 . 1 1 38 38 LYS CB C 38 29.452 29.452 30.219 -0.767 18299 5515 1 15 . 1 1 38 38 LYS H H 38 8.328 8.328 8.130 0.198 18299 5516 1 15 . 1 1 39 39 LYS N N 39 116.950 116.950 116.836 0.114 18299 5517 1 15 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.668 0.986 18299 5518 1 15 . 1 1 39 39 LYS C C 39 174.797 174.797 174.500 0.297 18299 5519 1 15 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.715 0.188 18299 5520 1 15 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.633 0.986 18299 5521 1 15 . 1 1 39 39 LYS H H 39 8.203 8.203 7.504 0.699 18299 5522 1 15 . 1 1 40 40 VAL N N 40 121.279 121.279 120.353 0.926 18299 5523 1 15 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.466 0.508 18299 5524 1 15 . 1 1 40 40 VAL C C 40 173.992 173.992 174.135 -0.143 18299 5525 1 15 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.334 -0.643 18299 5526 1 15 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.408 1.409 18299 5527 1 15 . 1 1 40 40 VAL H H 40 9.115 9.115 8.001 1.114 18299 5528 1 15 . 1 1 41 41 CYS N N 41 126.779 126.779 127.718 -0.939 18299 5529 1 15 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.060 0.575 18299 5530 1 15 . 1 1 41 41 CYS C C 41 174.839 174.839 172.928 1.911 18299 5531 1 15 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.266 -0.295 18299 5532 1 15 . 1 1 41 41 CYS CB C 41 29.139 29.139 29.094 0.045 18299 5533 1 15 . 1 1 41 41 CYS H H 41 8.767 8.767 8.688 0.079 18299 5534 1 15 . 1 1 42 42 ILE N N 42 125.941 125.941 128.224 -2.283 18299 5535 1 15 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.809 0.170 18299 5536 1 15 . 1 1 42 42 ILE C C 42 174.113 174.113 173.232 0.881 18299 5537 1 15 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.613 1.616 18299 5538 1 15 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.310 0.129 18299 5539 1 15 . 1 1 42 42 ILE H H 42 9.697 9.697 8.916 0.781 18299 5540 1 15 . 1 1 43 43 GLU N N 43 130.488 130.488 129.942 0.546 18299 5541 1 15 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.768 0.688 18299 5542 1 15 . 1 1 43 43 GLU C C 43 176.185 176.185 174.254 1.931 18299 5543 1 15 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.170 -0.285 18299 5544 1 15 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.536 0.490 18299 5545 1 15 . 1 1 43 43 GLU H H 43 9.510 9.510 8.486 1.024 18299 5546 1 15 . 1 1 44 44 SER N N 44 119.391 119.391 121.628 -2.237 18299 5547 1 15 . 1 1 44 44 SER HA H 44 4.868 4.868 4.701 0.167 18299 5548 1 15 . 1 1 44 44 SER C C 44 173.026 173.026 175.049 -2.023 18299 5549 1 15 . 1 1 44 44 SER CA C 44 59.104 59.104 56.411 2.693 18299 5550 1 15 . 1 1 44 44 SER CB C 44 66.159 66.159 64.812 1.347 18299 5551 1 15 . 1 1 44 44 SER H H 44 8.681 8.681 8.665 0.016 18299 5552 1 15 . 1 1 45 45 GLU N N 45 121.420 121.420 121.469 -0.049 18299 5553 1 15 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.202 0.352 18299 5554 1 15 . 1 1 45 45 GLU C C 45 177.473 177.473 177.002 0.471 18299 5555 1 15 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.359 -2.152 18299 5556 1 15 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.554 0.297 18299 5557 1 15 . 1 1 45 45 GLU H H 45 9.026 9.026 8.632 0.394 18299 5558 1 15 . 1 1 46 46 HIS N N 46 119.653 119.653 116.530 3.123 18299 5559 1 15 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.791 -0.148 18299 5560 1 15 . 1 1 46 46 HIS C C 46 175.514 175.514 175.022 0.492 18299 5561 1 15 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.469 1.446 18299 5562 1 15 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.998 0.727 18299 5563 1 15 . 1 1 46 46 HIS H H 46 8.423 8.423 8.160 0.263 18299 5564 1 15 . 1 1 47 47 SER N N 47 116.562 116.562 117.787 -1.225 18299 5565 1 15 . 1 1 47 47 SER HA H 47 4.349 4.349 4.248 0.101 18299 5566 1 15 . 1 1 47 47 SER C C 47 174.638 174.638 173.981 0.657 18299 5567 1 15 . 1 1 47 47 SER CA C 47 57.438 57.438 59.191 -1.753 18299 5568 1 15 . 1 1 47 47 SER CB C 47 65.022 65.022 63.389 1.633 18299 5569 1 15 . 1 1 47 47 SER H H 47 9.093 9.093 8.281 0.812 18299 5570 1 15 . 1 1 48 48 MET N N 48 121.402 121.402 124.821 -3.419 18299 5571 1 15 . 1 1 48 48 MET HA H 48 3.412 3.412 4.313 -0.901 18299 5572 1 15 . 1 1 48 48 MET C C 48 177.797 177.797 173.729 4.068 18299 5573 1 15 . 1 1 48 48 MET CA C 48 60.298 60.298 57.202 3.096 18299 5574 1 15 . 1 1 48 48 MET CB C 48 30.776 30.776 31.421 -0.645 18299 5575 1 15 . 1 1 48 48 MET H H 48 8.920 8.920 9.166 -0.246 18299 5576 1 15 . 1 1 49 49 ASP N N 49 116.251 116.251 116.447 -0.196 18299 5577 1 15 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.463 -0.261 18299 5578 1 15 . 1 1 49 49 ASP C C 49 179.291 179.291 176.644 2.647 18299 5579 1 15 . 1 1 49 49 ASP CA C 49 57.555 57.555 54.896 2.659 18299 5580 1 15 . 1 1 49 49 ASP CB C 49 40.852 40.852 39.665 1.187 18299 5581 1 15 . 1 1 49 49 ASP H H 49 8.345 8.345 8.369 -0.024 18299 5582 1 15 . 1 1 50 50 THR N N 50 120.023 120.023 116.887 3.136 18299 5583 1 15 . 1 1 50 50 THR HA H 50 4.305 4.305 4.110 0.195 18299 5584 1 15 . 1 1 50 50 THR C C 50 177.416 177.416 175.706 1.710 18299 5585 1 15 . 1 1 50 50 THR CA C 50 66.392 66.392 65.308 1.084 18299 5586 1 15 . 1 1 50 50 THR CB C 50 68.452 68.452 68.842 -0.390 18299 5587 1 15 . 1 1 50 50 THR H H 50 8.019 8.019 8.360 -0.341 18299 5588 1 15 . 1 1 51 51 LEU N N 51 124.562 124.562 119.171 5.391 18299 5589 1 15 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.948 -0.440 18299 5590 1 15 . 1 1 51 51 LEU C C 51 177.386 177.386 178.329 -0.943 18299 5591 1 15 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.870 0.593 18299 5592 1 15 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.358 2.010 18299 5593 1 15 . 1 1 51 51 LEU H H 51 8.043 8.043 8.017 0.026 18299 5594 1 15 . 1 1 52 52 LEU N N 52 120.718 120.718 117.371 3.347 18299 5595 1 15 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.788 -0.242 18299 5596 1 15 . 1 1 52 52 LEU C C 52 178.065 178.065 178.791 -0.726 18299 5597 1 15 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.670 0.801 18299 5598 1 15 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.065 2.636 18299 5599 1 15 . 1 1 52 52 LEU H H 52 8.993 8.993 7.478 1.515 18299 5600 1 15 . 1 1 53 53 ALA N N 53 118.641 118.641 121.646 -3.005 18299 5601 1 15 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.911 0.002 18299 5602 1 15 . 1 1 53 53 ALA C C 53 180.677 180.677 179.701 0.976 18299 5603 1 15 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.129 -0.094 18299 5604 1 15 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.025 0.144 18299 5605 1 15 . 1 1 53 53 ALA H H 53 7.859 7.859 7.731 0.128 18299 5606 1 15 . 1 1 54 54 THR N N 54 114.407 114.407 115.694 -1.287 18299 5607 1 15 . 1 1 54 54 THR HA H 54 3.662 3.662 4.033 -0.371 18299 5608 1 15 . 1 1 54 54 THR C C 54 175.694 175.694 176.576 -0.882 18299 5609 1 15 . 1 1 54 54 THR CA C 54 67.449 67.449 65.739 1.710 18299 5610 1 15 . 1 1 54 54 THR CB C 54 68.226 68.226 68.587 -0.361 18299 5611 1 15 . 1 1 54 54 THR H H 54 7.688 7.688 7.515 0.173 18299 5612 1 15 . 1 1 55 55 LEU N N 55 119.491 119.491 121.836 -2.345 18299 5613 1 15 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.935 -0.133 18299 5614 1 15 . 1 1 55 55 LEU C C 55 179.660 179.660 178.806 0.854 18299 5615 1 15 . 1 1 55 55 LEU CA C 55 57.851 57.851 58.081 -0.230 18299 5616 1 15 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.448 1.559 18299 5617 1 15 . 1 1 55 55 LEU H H 55 8.104 8.104 8.698 -0.594 18299 5618 1 15 . 1 1 56 56 LYS N N 56 119.317 119.317 118.549 0.768 18299 5619 1 15 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.077 -0.108 18299 5620 1 15 . 1 1 56 56 LYS C C 56 179.227 179.227 179.514 -0.287 18299 5621 1 15 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.547 2.229 18299 5622 1 15 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.709 0.513 18299 5623 1 15 . 1 1 56 56 LYS H H 56 8.333 8.333 8.404 -0.071 18299 5624 1 15 . 1 1 57 57 LYS N N 57 120.188 120.188 119.928 0.260 18299 5625 1 15 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.048 0.114 18299 5626 1 15 . 1 1 57 57 LYS C C 57 178.128 178.128 178.151 -0.023 18299 5627 1 15 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.923 0.160 18299 5628 1 15 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.916 0.536 18299 5629 1 15 . 1 1 57 57 LYS H H 57 7.646 7.646 7.611 0.035 18299 5630 1 15 . 1 1 58 58 THR N N 58 106.563 106.563 109.085 -2.522 18299 5631 1 15 . 1 1 58 58 THR HA H 58 4.277 4.277 4.334 -0.057 18299 5632 1 15 . 1 1 58 58 THR C C 58 175.933 175.933 175.043 0.890 18299 5633 1 15 . 1 1 58 58 THR CA C 58 63.742 63.742 62.507 1.235 18299 5634 1 15 . 1 1 58 58 THR CB C 58 71.108 71.108 69.782 1.326 18299 5635 1 15 . 1 1 58 58 THR H H 58 7.483 7.483 7.686 -0.203 18299 5636 1 15 . 1 1 59 59 GLY N N 59 108.569 108.569 109.165 -0.596 18299 5637 1 15 . 1 1 59 59 GLY C C 59 173.171 173.171 174.054 -0.883 18299 5638 1 15 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.787 0.204 18299 5639 1 15 . 1 1 59 59 GLY H H 59 7.774 7.774 7.964 -0.190 18299 5640 1 15 . 1 1 60 60 ALA N N 60 122.420 122.420 123.465 -1.045 18299 5641 1 15 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.718 -0.212 18299 5642 1 15 . 1 1 60 60 ALA C C 60 177.155 177.155 177.348 -0.193 18299 5643 1 15 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.413 -0.358 18299 5644 1 15 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.202 0.106 18299 5645 1 15 . 1 1 60 60 ALA H H 60 7.524 7.524 7.295 0.229 18299 5646 1 15 . 1 1 61 61 THR N N 61 117.690 117.690 115.753 1.937 18299 5647 1 15 . 1 1 61 61 THR HA H 61 4.321 4.321 4.265 0.056 18299 5648 1 15 . 1 1 61 61 THR C C 61 174.635 174.635 173.858 0.777 18299 5649 1 15 . 1 1 61 61 THR CA C 61 63.922 63.922 62.679 1.243 18299 5650 1 15 . 1 1 61 61 THR CB C 61 68.904 68.904 69.415 -0.511 18299 5651 1 15 . 1 1 61 61 THR H H 61 8.491 8.491 8.504 -0.013 18299 5652 1 15 . 1 1 62 62 VAL N N 62 129.030 129.030 124.301 4.729 18299 5653 1 15 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.400 0.914 18299 5654 1 15 . 1 1 62 62 VAL C C 62 174.947 174.947 175.086 -0.139 18299 5655 1 15 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.018 -0.703 18299 5656 1 15 . 1 1 62 62 VAL CB C 62 35.664 35.664 33.953 1.711 18299 5657 1 15 . 1 1 62 62 VAL H H 62 8.709 8.709 8.332 0.377 18299 5658 1 15 . 1 1 63 63 SER N N 63 119.588 119.588 124.340 -4.752 18299 5659 1 15 . 1 1 63 63 SER HA H 63 4.865 4.865 4.911 -0.046 18299 5660 1 15 . 1 1 63 63 SER C C 63 173.019 173.019 172.026 0.993 18299 5661 1 15 . 1 1 63 63 SER CA C 63 57.347 57.347 56.732 0.615 18299 5662 1 15 . 1 1 63 63 SER CB C 63 65.605 65.605 65.854 -0.249 18299 5663 1 15 . 1 1 63 63 SER H H 63 8.988 8.988 8.723 0.265 18299 5664 1 15 . 1 1 64 64 TYR N N 64 125.400 125.400 127.876 -2.476 18299 5665 1 15 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.303 1.276 18299 5666 1 15 . 1 1 64 64 TYR C C 64 175.523 175.523 174.339 1.184 18299 5667 1 15 . 1 1 64 64 TYR CA C 64 57.454 57.454 57.363 0.091 18299 5668 1 15 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.418 0.604 18299 5669 1 15 . 1 1 64 64 TYR H H 64 9.391 9.391 8.824 0.567 18299 5670 1 15 . 1 1 65 65 LEU N N 65 128.500 128.500 128.288 0.212 18299 5671 1 15 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.348 -0.029 18299 5672 1 15 . 1 1 65 65 LEU C C 65 176.473 176.473 176.253 0.220 18299 5673 1 15 . 1 1 65 65 LEU CA C 65 54.677 54.677 54.500 0.177 18299 5674 1 15 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.739 -0.681 18299 5675 1 15 . 1 1 65 65 LEU H H 65 8.304 8.304 8.187 0.117 18299 5676 1 15 . 1 1 66 66 GLY N N 66 105.737 105.737 104.011 1.726 18299 5677 1 15 . 1 1 66 66 GLY C C 66 171.330 171.330 172.127 -0.797 18299 5678 1 15 . 1 1 66 66 GLY CA C 66 45.036 45.036 45.031 0.005 18299 5679 1 15 . 1 1 66 66 GLY H H 66 5.977 5.977 7.243 -1.266 18299 5680 1 15 . 1 1 67 67 LEU N N 67 120.133 120.133 121.426 -1.293 18299 5681 1 15 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.672 0.110 18299 5682 1 15 . 1 1 67 67 LEU C C 67 177.339 177.339 177.342 -0.003 18299 5683 1 15 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.499 -0.123 18299 5684 1 15 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.434 0.447 18299 5685 1 15 . 1 1 67 67 LEU H H 67 7.947 7.947 8.528 -0.581 18299 5686 1 16 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.857 -0.604 18299 5687 1 16 . 1 1 2 2 PRO C C 2 174.299 174.299 176.031 -1.732 18299 5688 1 16 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.149 1.186 18299 5689 1 16 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.660 -0.027 18299 5690 1 16 . 1 1 3 3 LYS N N 3 121.020 121.020 120.408 0.612 18299 5691 1 16 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.559 0.375 18299 5692 1 16 . 1 1 3 3 LYS C C 3 175.055 175.055 175.649 -0.594 18299 5693 1 16 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.360 -0.466 18299 5694 1 16 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.378 0.004 18299 5695 1 16 . 1 1 3 3 LYS H H 3 8.038 8.038 8.453 -0.415 18299 5696 1 16 . 1 1 4 4 HIS N N 4 122.815 122.815 122.404 0.411 18299 5697 1 16 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.998 -0.039 18299 5698 1 16 . 1 1 4 4 HIS C C 4 174.771 174.771 173.859 0.912 18299 5699 1 16 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.594 0.448 18299 5700 1 16 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.148 2.096 18299 5701 1 16 . 1 1 4 4 HIS H H 4 8.908 8.908 8.623 0.285 18299 5702 1 16 . 1 1 5 5 GLU N N 5 122.404 122.404 124.964 -2.560 18299 5703 1 16 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.756 0.537 18299 5704 1 16 . 1 1 5 5 GLU C C 5 174.389 174.389 174.855 -0.466 18299 5705 1 16 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.582 0.266 18299 5706 1 16 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.383 0.359 18299 5707 1 16 . 1 1 5 5 GLU H H 5 8.951 8.951 8.163 0.788 18299 5708 1 16 . 1 1 6 6 PHE N N 6 119.234 119.234 124.369 -5.135 18299 5709 1 16 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.003 0.182 18299 5710 1 16 . 1 1 6 6 PHE C C 6 175.130 175.130 173.943 1.187 18299 5711 1 16 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.397 0.349 18299 5712 1 16 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.855 -1.173 18299 5713 1 16 . 1 1 6 6 PHE H H 6 9.075 9.075 8.843 0.232 18299 5714 1 16 . 1 1 7 7 SER N N 7 118.028 118.028 118.363 -0.335 18299 5715 1 16 . 1 1 7 7 SER HA H 7 5.322 5.322 4.774 0.548 18299 5716 1 16 . 1 1 7 7 SER C C 7 174.651 174.651 172.696 1.955 18299 5717 1 16 . 1 1 7 7 SER CA C 7 56.636 56.636 56.717 -0.081 18299 5718 1 16 . 1 1 7 7 SER CB C 7 63.983 63.983 63.719 0.264 18299 5719 1 16 . 1 1 7 7 SER H H 7 9.346 9.346 8.494 0.852 18299 5720 1 16 . 1 1 8 8 VAL N N 8 125.476 125.476 128.218 -2.742 18299 5721 1 16 . 1 1 8 8 VAL HA H 8 4.683 4.683 5.003 -0.320 18299 5722 1 16 . 1 1 8 8 VAL C C 8 174.360 174.360 174.316 0.044 18299 5723 1 16 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.364 0.656 18299 5724 1 16 . 1 1 8 8 VAL CB C 8 35.221 35.221 36.056 -0.835 18299 5725 1 16 . 1 1 8 8 VAL H H 8 8.129 8.129 8.230 -0.101 18299 5726 1 16 . 1 1 9 9 ASP N N 9 124.989 124.989 129.592 -4.603 18299 5727 1 16 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.745 -0.049 18299 5728 1 16 . 1 1 9 9 ASP C C 9 175.278 175.278 175.863 -0.585 18299 5729 1 16 . 1 1 9 9 ASP CA C 9 54.011 54.011 54.287 -0.276 18299 5730 1 16 . 1 1 9 9 ASP CB C 9 40.521 40.521 42.125 -1.604 18299 5731 1 16 . 1 1 9 9 ASP H H 9 8.285 8.285 8.102 0.183 18299 5732 1 16 . 1 1 10 10 MET N N 10 125.927 125.927 121.862 4.065 18299 5733 1 16 . 1 1 10 10 MET HA H 10 4.712 4.712 4.483 0.229 18299 5734 1 16 . 1 1 10 10 MET C C 10 175.748 175.748 175.732 0.016 18299 5735 1 16 . 1 1 10 10 MET CA C 10 54.825 54.825 55.980 -1.155 18299 5736 1 16 . 1 1 10 10 MET CB C 10 34.030 34.030 32.539 1.491 18299 5737 1 16 . 1 1 10 10 MET H H 10 8.096 8.096 8.277 -0.181 18299 5738 1 16 . 1 1 11 11 THR N N 11 116.339 116.339 117.665 -1.326 18299 5739 1 16 . 1 1 11 11 THR HA H 11 4.326 4.326 4.444 -0.118 18299 5740 1 16 . 1 1 11 11 THR C C 11 174.832 174.832 175.394 -0.562 18299 5741 1 16 . 1 1 11 11 THR CA C 11 63.908 63.908 62.508 1.400 18299 5742 1 16 . 1 1 11 11 THR CB C 11 69.529 69.529 69.807 -0.278 18299 5743 1 16 . 1 1 11 11 THR H H 11 8.886 8.886 8.454 0.432 18299 5744 1 16 . 1 1 12 12 CYS N N 12 117.534 117.534 121.138 -3.604 18299 5745 1 16 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.730 0.065 18299 5746 1 16 . 1 1 12 12 CYS C C 12 174.892 174.892 176.245 -1.353 18299 5747 1 16 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.195 -0.580 18299 5748 1 16 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.536 1.945 18299 5749 1 16 . 1 1 12 12 CYS H H 12 8.183 8.183 8.393 -0.210 18299 5750 1 16 . 1 1 13 13 GLY N N 13 110.516 110.516 110.921 -0.405 18299 5751 1 16 . 1 1 13 13 GLY C C 13 175.328 175.328 176.208 -0.880 18299 5752 1 16 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.783 -1.202 18299 5753 1 16 . 1 1 13 13 GLY H H 13 8.737 8.737 8.325 0.412 18299 5754 1 16 . 1 1 14 14 GLY N N 14 110.521 110.521 108.539 1.982 18299 5755 1 16 . 1 1 14 14 GLY C C 14 175.741 175.741 175.847 -0.106 18299 5756 1 16 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.911 -0.905 18299 5757 1 16 . 1 1 14 14 GLY H H 14 8.677 8.677 8.472 0.205 18299 5758 1 16 . 1 1 15 15 CYS N N 15 121.304 121.304 120.528 0.776 18299 5759 1 16 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.544 -0.181 18299 5760 1 16 . 1 1 15 15 CYS C C 15 176.557 176.557 176.564 -0.007 18299 5761 1 16 . 1 1 15 15 CYS CA C 15 61.356 61.356 59.990 1.366 18299 5762 1 16 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.278 1.244 18299 5763 1 16 . 1 1 15 15 CYS H H 15 7.853 7.853 8.322 -0.469 18299 5764 1 16 . 1 1 16 16 ALA N N 16 121.907 121.907 123.676 -1.769 18299 5765 1 16 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.120 -0.098 18299 5766 1 16 . 1 1 16 16 ALA C C 16 180.089 180.089 179.590 0.499 18299 5767 1 16 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.119 0.675 18299 5768 1 16 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.057 0.225 18299 5769 1 16 . 1 1 16 16 ALA H H 16 8.196 8.196 8.758 -0.562 18299 5770 1 16 . 1 1 17 17 GLU N N 17 118.976 118.976 118.434 0.542 18299 5771 1 16 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.125 -0.060 18299 5772 1 16 . 1 1 17 17 GLU C C 17 178.541 178.541 178.327 0.214 18299 5773 1 16 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.140 0.540 18299 5774 1 16 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.580 -0.399 18299 5775 1 16 . 1 1 17 17 GLU H H 17 8.518 8.518 7.781 0.737 18299 5776 1 16 . 1 1 18 18 ALA N N 18 122.909 122.909 122.237 0.672 18299 5777 1 16 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.168 -0.079 18299 5778 1 16 . 1 1 18 18 ALA C C 18 179.665 179.665 180.346 -0.681 18299 5779 1 16 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.633 0.451 18299 5780 1 16 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.463 -0.318 18299 5781 1 16 . 1 1 18 18 ALA H H 18 7.863 7.863 7.385 0.478 18299 5782 1 16 . 1 1 19 19 VAL N N 19 118.050 118.050 119.091 -1.041 18299 5783 1 16 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.562 -0.265 18299 5784 1 16 . 1 1 19 19 VAL C C 19 176.602 176.602 178.186 -1.584 18299 5785 1 16 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.145 0.156 18299 5786 1 16 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.524 -0.053 18299 5787 1 16 . 1 1 19 19 VAL H H 19 7.989 7.989 8.680 -0.691 18299 5788 1 16 . 1 1 20 20 SER N N 20 113.425 113.425 114.637 -1.212 18299 5789 1 16 . 1 1 20 20 SER HA H 20 4.086 4.086 4.125 -0.039 18299 5790 1 16 . 1 1 20 20 SER C C 20 175.600 175.600 176.376 -0.776 18299 5791 1 16 . 1 1 20 20 SER CA C 20 62.064 62.064 61.069 0.994 18299 5792 1 16 . 1 1 20 20 SER CB C 20 62.443 62.443 62.754 -0.311 18299 5793 1 16 . 1 1 20 20 SER H H 20 7.808 7.808 7.704 0.104 18299 5794 1 16 . 1 1 21 21 ARG N N 21 119.858 119.858 120.724 -0.866 18299 5795 1 16 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.889 0.115 18299 5796 1 16 . 1 1 21 21 ARG C C 21 180.231 180.231 178.542 1.689 18299 5797 1 16 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.308 0.762 18299 5798 1 16 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.171 0.305 18299 5799 1 16 . 1 1 21 21 ARG H H 21 8.086 8.086 7.522 0.564 18299 5800 1 16 . 1 1 22 22 VAL N N 22 112.224 112.224 117.918 -5.694 18299 5801 1 16 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.722 0.300 18299 5802 1 16 . 1 1 22 22 VAL C C 22 179.211 179.211 177.112 2.099 18299 5803 1 16 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.289 -0.343 18299 5804 1 16 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.439 -0.776 18299 5805 1 16 . 1 1 22 22 VAL H H 22 7.943 7.943 7.520 0.423 18299 5806 1 16 . 1 1 23 23 LEU N N 23 122.146 122.146 122.215 -0.069 18299 5807 1 16 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.866 0.120 18299 5808 1 16 . 1 1 23 23 LEU C C 23 178.347 178.347 177.696 0.651 18299 5809 1 16 . 1 1 23 23 LEU CA C 23 57.249 57.249 58.005 -0.756 18299 5810 1 16 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.543 -0.693 18299 5811 1 16 . 1 1 23 23 LEU H H 23 7.692 7.692 8.083 -0.391 18299 5812 1 16 . 1 1 24 24 ASN N N 24 118.578 118.578 116.568 2.010 18299 5813 1 16 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.266 0.263 18299 5814 1 16 . 1 1 24 24 ASN C C 24 178.060 178.060 177.018 1.042 18299 5815 1 16 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.760 -1.154 18299 5816 1 16 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.313 -1.121 18299 5817 1 16 . 1 1 24 24 ASN H H 24 8.683 8.683 8.076 0.607 18299 5818 1 16 . 1 1 25 25 LYS N N 25 118.395 118.395 119.095 -0.700 18299 5819 1 16 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.016 0.048 18299 5820 1 16 . 1 1 25 25 LYS C C 25 177.770 177.770 177.911 -0.141 18299 5821 1 16 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.589 -0.344 18299 5822 1 16 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.300 -0.114 18299 5823 1 16 . 1 1 25 25 LYS H H 25 7.469 7.469 7.620 -0.151 18299 5824 1 16 . 1 1 26 26 LEU N N 26 121.105 121.105 118.776 2.329 18299 5825 1 16 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.276 -0.184 18299 5826 1 16 . 1 1 26 26 LEU C C 26 178.609 178.609 178.027 0.582 18299 5827 1 16 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.326 1.416 18299 5828 1 16 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.849 0.342 18299 5829 1 16 . 1 1 26 26 LEU H H 26 7.209 7.209 7.258 -0.049 18299 5830 1 16 . 1 1 27 27 GLY N N 27 104.036 104.036 103.779 0.257 18299 5831 1 16 . 1 1 27 27 GLY C C 27 173.508 173.508 174.783 -1.275 18299 5832 1 16 . 1 1 27 27 GLY CA C 27 44.233 44.233 44.967 -0.734 18299 5833 1 16 . 1 1 27 27 GLY H H 27 7.691 7.691 8.244 -0.553 18299 5834 1 16 . 1 1 28 28 GLY N N 28 106.538 106.538 108.745 -2.207 18299 5835 1 16 . 1 1 28 28 GLY C C 28 175.737 175.737 174.085 1.652 18299 5836 1 16 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.798 1.820 18299 5837 1 16 . 1 1 28 28 GLY H H 28 8.603 8.603 7.856 0.747 18299 5838 1 16 . 1 1 29 29 VAL N N 29 112.116 112.116 115.743 -3.627 18299 5839 1 16 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.499 0.450 18299 5840 1 16 . 1 1 29 29 VAL C C 29 174.487 174.487 175.433 -0.946 18299 5841 1 16 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.600 0.138 18299 5842 1 16 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.870 2.644 18299 5843 1 16 . 1 1 29 29 VAL H H 29 7.974 7.974 7.319 0.655 18299 5844 1 16 . 1 1 30 30 LYS N N 30 124.568 124.568 121.670 2.898 18299 5845 1 16 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.312 0.336 18299 5846 1 16 . 1 1 30 30 LYS C C 30 174.964 174.964 175.278 -0.314 18299 5847 1 16 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.467 -1.464 18299 5848 1 16 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.232 1.407 18299 5849 1 16 . 1 1 30 30 LYS H H 30 8.370 8.370 8.648 -0.278 18299 5850 1 16 . 1 1 31 31 TYR N N 31 121.504 121.504 120.550 0.954 18299 5851 1 16 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.315 0.669 18299 5852 1 16 . 1 1 31 31 TYR C C 31 172.758 172.758 174.404 -1.646 18299 5853 1 16 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.827 -0.703 18299 5854 1 16 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.728 1.053 18299 5855 1 16 . 1 1 31 31 TYR H H 31 8.531 8.531 8.067 0.464 18299 5856 1 16 . 1 1 32 32 ASP N N 32 119.262 119.262 121.901 -2.639 18299 5857 1 16 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.850 0.142 18299 5858 1 16 . 1 1 32 32 ASP C C 32 174.839 174.839 174.573 0.266 18299 5859 1 16 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.982 -0.699 18299 5860 1 16 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.983 -0.132 18299 5861 1 16 . 1 1 32 32 ASP H H 32 8.750 8.750 8.428 0.322 18299 5862 1 16 . 1 1 33 33 ILE N N 33 124.951 124.951 119.378 5.573 18299 5863 1 16 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.626 -0.267 18299 5864 1 16 . 1 1 33 33 ILE C C 33 173.855 173.855 174.651 -0.796 18299 5865 1 16 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.156 1.776 18299 5866 1 16 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.081 0.553 18299 5867 1 16 . 1 1 33 33 ILE H H 33 9.001 9.001 8.360 0.641 18299 5868 1 16 . 1 1 34 34 ASP N N 34 130.202 130.202 128.408 1.794 18299 5869 1 16 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.058 -0.083 18299 5870 1 16 . 1 1 34 34 ASP C C 34 175.761 175.761 175.755 0.006 18299 5871 1 16 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.039 -1.230 18299 5872 1 16 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.934 -0.694 18299 5873 1 16 . 1 1 34 34 ASP H H 34 9.033 9.033 8.308 0.725 18299 5874 1 16 . 1 1 35 35 LEU N N 35 123.830 123.830 125.876 -2.046 18299 5875 1 16 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.228 0.082 18299 5876 1 16 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.262 0.600 18299 5877 1 16 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.335 -0.983 18299 5878 1 16 . 1 1 35 35 LEU H H 35 8.888 8.888 8.821 0.067 18299 5879 1 16 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.235 0.061 18299 5880 1 16 . 1 1 36 36 PRO C C 36 177.959 177.959 177.299 0.660 18299 5881 1 16 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.542 0.844 18299 5882 1 16 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.054 0.439 18299 5883 1 16 . 1 1 37 37 ASN N N 37 110.308 110.308 112.385 -2.077 18299 5884 1 16 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.817 0.082 18299 5885 1 16 . 1 1 37 37 ASN C C 37 172.880 172.880 174.043 -1.163 18299 5886 1 16 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.711 -0.103 18299 5887 1 16 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.660 -1.115 18299 5888 1 16 . 1 1 37 37 ASN H H 37 7.255 7.255 7.521 -0.266 18299 5889 1 16 . 1 1 38 38 LYS N N 38 119.648 119.648 116.668 2.980 18299 5890 1 16 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.900 -0.068 18299 5891 1 16 . 1 1 38 38 LYS C C 38 175.375 175.375 175.201 0.174 18299 5892 1 16 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.495 0.733 18299 5893 1 16 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.408 0.044 18299 5894 1 16 . 1 1 38 38 LYS H H 38 8.328 8.328 8.141 0.187 18299 5895 1 16 . 1 1 39 39 LYS N N 39 116.950 116.950 115.831 1.119 18299 5896 1 16 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.665 0.989 18299 5897 1 16 . 1 1 39 39 LYS C C 39 174.797 174.797 174.402 0.395 18299 5898 1 16 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.097 -0.193 18299 5899 1 16 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.628 -0.009 18299 5900 1 16 . 1 1 39 39 LYS H H 39 8.203 8.203 7.486 0.717 18299 5901 1 16 . 1 1 40 40 VAL N N 40 121.279 121.279 119.320 1.959 18299 5902 1 16 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.666 0.308 18299 5903 1 16 . 1 1 40 40 VAL C C 40 173.992 173.992 174.174 -0.182 18299 5904 1 16 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.437 -0.746 18299 5905 1 16 . 1 1 40 40 VAL CB C 40 35.817 35.817 35.063 0.754 18299 5906 1 16 . 1 1 40 40 VAL H H 40 9.115 9.115 8.395 0.720 18299 5907 1 16 . 1 1 41 41 CYS N N 41 126.779 126.779 127.611 -0.832 18299 5908 1 16 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.102 0.533 18299 5909 1 16 . 1 1 41 41 CYS C C 41 174.839 174.839 173.239 1.600 18299 5910 1 16 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.351 -0.380 18299 5911 1 16 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.323 0.817 18299 5912 1 16 . 1 1 41 41 CYS H H 41 8.767 8.767 8.560 0.207 18299 5913 1 16 . 1 1 42 42 ILE N N 42 125.941 125.941 127.495 -1.554 18299 5914 1 16 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.936 0.043 18299 5915 1 16 . 1 1 42 42 ILE C C 42 174.113 174.113 173.237 0.876 18299 5916 1 16 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.191 2.038 18299 5917 1 16 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.186 0.253 18299 5918 1 16 . 1 1 42 42 ILE H H 42 9.697 9.697 8.929 0.768 18299 5919 1 16 . 1 1 43 43 GLU N N 43 130.488 130.488 129.314 1.174 18299 5920 1 16 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.802 0.654 18299 5921 1 16 . 1 1 43 43 GLU C C 43 176.185 176.185 174.658 1.527 18299 5922 1 16 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.585 -0.700 18299 5923 1 16 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.674 0.352 18299 5924 1 16 . 1 1 43 43 GLU H H 43 9.510 9.510 8.630 0.880 18299 5925 1 16 . 1 1 44 44 SER N N 44 119.391 119.391 120.795 -1.404 18299 5926 1 16 . 1 1 44 44 SER HA H 44 4.868 4.868 4.792 0.076 18299 5927 1 16 . 1 1 44 44 SER C C 44 173.026 173.026 174.435 -1.409 18299 5928 1 16 . 1 1 44 44 SER CA C 44 59.104 59.104 56.245 2.859 18299 5929 1 16 . 1 1 44 44 SER CB C 44 66.159 66.159 66.187 -0.028 18299 5930 1 16 . 1 1 44 44 SER H H 44 8.681 8.681 8.373 0.308 18299 5931 1 16 . 1 1 45 45 GLU N N 45 121.420 121.420 121.942 -0.522 18299 5932 1 16 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.128 0.426 18299 5933 1 16 . 1 1 45 45 GLU C C 45 177.473 177.473 176.343 1.130 18299 5934 1 16 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.920 -2.713 18299 5935 1 16 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.666 0.185 18299 5936 1 16 . 1 1 45 45 GLU H H 45 9.026 9.026 8.876 0.150 18299 5937 1 16 . 1 1 46 46 HIS N N 46 119.653 119.653 115.522 4.131 18299 5938 1 16 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.670 -0.027 18299 5939 1 16 . 1 1 46 46 HIS C C 46 175.514 175.514 174.914 0.600 18299 5940 1 16 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.835 1.080 18299 5941 1 16 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.796 0.929 18299 5942 1 16 . 1 1 46 46 HIS H H 46 8.423 8.423 8.175 0.248 18299 5943 1 16 . 1 1 47 47 SER N N 47 116.562 116.562 112.606 3.956 18299 5944 1 16 . 1 1 47 47 SER HA H 47 4.349 4.349 3.829 0.520 18299 5945 1 16 . 1 1 47 47 SER C C 47 174.638 174.638 174.406 0.232 18299 5946 1 16 . 1 1 47 47 SER CA C 47 57.438 57.438 59.473 -2.035 18299 5947 1 16 . 1 1 47 47 SER CB C 47 65.022 65.022 62.550 2.472 18299 5948 1 16 . 1 1 47 47 SER H H 47 9.093 9.093 8.098 0.995 18299 5949 1 16 . 1 1 48 48 MET N N 48 121.402 121.402 118.024 3.378 18299 5950 1 16 . 1 1 48 48 MET HA H 48 3.412 3.412 4.108 -0.696 18299 5951 1 16 . 1 1 48 48 MET C C 48 177.797 177.797 174.411 3.386 18299 5952 1 16 . 1 1 48 48 MET CA C 48 60.298 60.298 56.895 3.403 18299 5953 1 16 . 1 1 48 48 MET CB C 48 30.776 30.776 32.011 -1.235 18299 5954 1 16 . 1 1 48 48 MET H H 48 8.920 8.920 8.519 0.401 18299 5955 1 16 . 1 1 49 49 ASP N N 49 116.251 116.251 114.850 1.401 18299 5956 1 16 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.618 -0.416 18299 5957 1 16 . 1 1 49 49 ASP C C 49 179.291 179.291 177.100 2.191 18299 5958 1 16 . 1 1 49 49 ASP CA C 49 57.555 57.555 54.655 2.900 18299 5959 1 16 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.996 -0.144 18299 5960 1 16 . 1 1 49 49 ASP H H 49 8.345 8.345 7.838 0.507 18299 5961 1 16 . 1 1 50 50 THR N N 50 120.023 120.023 115.893 4.130 18299 5962 1 16 . 1 1 50 50 THR HA H 50 4.305 4.305 4.171 0.134 18299 5963 1 16 . 1 1 50 50 THR C C 50 177.416 177.416 175.756 1.660 18299 5964 1 16 . 1 1 50 50 THR CA C 50 66.392 66.392 64.800 1.591 18299 5965 1 16 . 1 1 50 50 THR CB C 50 68.452 68.452 68.677 -0.224 18299 5966 1 16 . 1 1 50 50 THR H H 50 8.019 8.019 7.791 0.228 18299 5967 1 16 . 1 1 51 51 LEU N N 51 124.562 124.562 121.127 3.435 18299 5968 1 16 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.006 -0.498 18299 5969 1 16 . 1 1 51 51 LEU C C 51 177.386 177.386 179.112 -1.726 18299 5970 1 16 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.150 0.313 18299 5971 1 16 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.996 2.372 18299 5972 1 16 . 1 1 51 51 LEU H H 51 8.043 8.043 7.718 0.325 18299 5973 1 16 . 1 1 52 52 LEU N N 52 120.718 120.718 115.946 4.772 18299 5974 1 16 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.202 -0.656 18299 5975 1 16 . 1 1 52 52 LEU C C 52 178.065 178.065 178.757 -0.692 18299 5976 1 16 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.900 0.571 18299 5977 1 16 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.518 2.183 18299 5978 1 16 . 1 1 52 52 LEU H H 52 8.993 8.993 7.681 1.312 18299 5979 1 16 . 1 1 53 53 ALA N N 53 118.641 118.641 121.670 -3.029 18299 5980 1 16 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.960 -0.047 18299 5981 1 16 . 1 1 53 53 ALA C C 53 180.677 180.677 179.680 0.997 18299 5982 1 16 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.267 -0.232 18299 5983 1 16 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.139 0.031 18299 5984 1 16 . 1 1 53 53 ALA H H 53 7.859 7.859 7.818 0.041 18299 5985 1 16 . 1 1 54 54 THR N N 54 114.407 114.407 112.835 1.572 18299 5986 1 16 . 1 1 54 54 THR HA H 54 3.662 3.662 4.015 -0.353 18299 5987 1 16 . 1 1 54 54 THR C C 54 175.694 175.694 176.585 -0.891 18299 5988 1 16 . 1 1 54 54 THR CA C 54 67.449 67.449 65.391 2.058 18299 5989 1 16 . 1 1 54 54 THR CB C 54 68.226 68.226 68.989 -0.763 18299 5990 1 16 . 1 1 54 54 THR H H 54 7.688 7.688 7.627 0.061 18299 5991 1 16 . 1 1 55 55 LEU N N 55 119.491 119.491 122.220 -2.729 18299 5992 1 16 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.136 -0.334 18299 5993 1 16 . 1 1 55 55 LEU C C 55 179.660 179.660 178.533 1.127 18299 5994 1 16 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.870 -0.019 18299 5995 1 16 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.699 1.308 18299 5996 1 16 . 1 1 55 55 LEU H H 55 8.104 8.104 8.275 -0.171 18299 5997 1 16 . 1 1 56 56 LYS N N 56 119.317 119.317 117.058 2.259 18299 5998 1 16 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.134 -0.165 18299 5999 1 16 . 1 1 56 56 LYS C C 56 179.227 179.227 178.434 0.793 18299 6000 1 16 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.418 1.358 18299 6001 1 16 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.068 0.154 18299 6002 1 16 . 1 1 56 56 LYS H H 56 8.333 8.333 8.468 -0.135 18299 6003 1 16 . 1 1 57 57 LYS N N 57 120.188 120.188 119.586 0.602 18299 6004 1 16 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.118 0.044 18299 6005 1 16 . 1 1 57 57 LYS C C 57 178.128 178.128 177.901 0.227 18299 6006 1 16 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.819 0.264 18299 6007 1 16 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.463 -0.011 18299 6008 1 16 . 1 1 57 57 LYS H H 57 7.646 7.646 7.441 0.205 18299 6009 1 16 . 1 1 58 58 THR N N 58 106.563 106.563 111.275 -4.712 18299 6010 1 16 . 1 1 58 58 THR HA H 58 4.277 4.277 4.425 -0.148 18299 6011 1 16 . 1 1 58 58 THR C C 58 175.933 175.933 174.785 1.148 18299 6012 1 16 . 1 1 58 58 THR CA C 58 63.742 63.742 61.721 2.021 18299 6013 1 16 . 1 1 58 58 THR CB C 58 71.108 71.108 68.998 2.111 18299 6014 1 16 . 1 1 58 58 THR H H 58 7.483 7.483 7.747 -0.264 18299 6015 1 16 . 1 1 59 59 GLY N N 59 108.569 108.569 108.812 -0.243 18299 6016 1 16 . 1 1 59 59 GLY C C 59 173.171 173.171 174.265 -1.094 18299 6017 1 16 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.298 -0.307 18299 6018 1 16 . 1 1 59 59 GLY H H 59 7.774 7.774 7.624 0.150 18299 6019 1 16 . 1 1 60 60 ALA N N 60 122.420 122.420 123.767 -1.347 18299 6020 1 16 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.442 0.064 18299 6021 1 16 . 1 1 60 60 ALA C C 60 177.155 177.155 177.182 -0.027 18299 6022 1 16 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.757 -0.702 18299 6023 1 16 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.885 0.423 18299 6024 1 16 . 1 1 60 60 ALA H H 60 7.524 7.524 7.307 0.217 18299 6025 1 16 . 1 1 61 61 THR N N 61 117.690 117.690 118.442 -0.752 18299 6026 1 16 . 1 1 61 61 THR HA H 61 4.321 4.321 4.176 0.145 18299 6027 1 16 . 1 1 61 61 THR C C 61 174.635 174.635 173.727 0.908 18299 6028 1 16 . 1 1 61 61 THR CA C 61 63.922 63.922 63.362 0.560 18299 6029 1 16 . 1 1 61 61 THR CB C 61 68.904 68.904 69.407 -0.503 18299 6030 1 16 . 1 1 61 61 THR H H 61 8.491 8.491 8.393 0.098 18299 6031 1 16 . 1 1 62 62 VAL N N 62 129.030 129.030 125.340 3.690 18299 6032 1 16 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.523 0.791 18299 6033 1 16 . 1 1 62 62 VAL C C 62 174.947 174.947 174.893 0.054 18299 6034 1 16 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.876 -0.561 18299 6035 1 16 . 1 1 62 62 VAL CB C 62 35.664 35.664 35.216 0.448 18299 6036 1 16 . 1 1 62 62 VAL H H 62 8.709 8.709 8.269 0.440 18299 6037 1 16 . 1 1 63 63 SER N N 63 119.588 119.588 125.465 -5.877 18299 6038 1 16 . 1 1 63 63 SER HA H 63 4.865 4.865 4.725 0.140 18299 6039 1 16 . 1 1 63 63 SER C C 63 173.019 173.019 172.382 0.637 18299 6040 1 16 . 1 1 63 63 SER CA C 63 57.347 57.347 56.721 0.626 18299 6041 1 16 . 1 1 63 63 SER CB C 63 65.605 65.605 64.722 0.883 18299 6042 1 16 . 1 1 63 63 SER H H 63 8.988 8.988 8.664 0.324 18299 6043 1 16 . 1 1 64 64 TYR N N 64 125.400 125.400 128.413 -3.013 18299 6044 1 16 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.797 0.782 18299 6045 1 16 . 1 1 64 64 TYR C C 64 175.523 175.523 174.696 0.827 18299 6046 1 16 . 1 1 64 64 TYR CA C 64 57.454 57.454 57.970 -0.516 18299 6047 1 16 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.088 0.934 18299 6048 1 16 . 1 1 64 64 TYR H H 64 9.391 9.391 8.818 0.573 18299 6049 1 16 . 1 1 65 65 LEU N N 65 128.500 128.500 128.304 0.196 18299 6050 1 16 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.230 0.089 18299 6051 1 16 . 1 1 65 65 LEU C C 65 176.473 176.473 176.506 -0.033 18299 6052 1 16 . 1 1 65 65 LEU CA C 65 54.677 54.677 54.618 0.059 18299 6053 1 16 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.437 -0.379 18299 6054 1 16 . 1 1 65 65 LEU H H 65 8.304 8.304 8.368 -0.064 18299 6055 1 16 . 1 1 66 66 GLY N N 66 105.737 105.737 103.747 1.990 18299 6056 1 16 . 1 1 66 66 GLY C C 66 171.330 171.330 171.470 -0.140 18299 6057 1 16 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.438 0.598 18299 6058 1 16 . 1 1 66 66 GLY H H 66 5.977 5.977 7.010 -1.033 18299 6059 1 16 . 1 1 67 67 LEU N N 67 120.133 120.133 120.977 -0.844 18299 6060 1 16 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.535 0.247 18299 6061 1 16 . 1 1 67 67 LEU C C 67 177.339 177.339 176.279 1.060 18299 6062 1 16 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.359 1.016 18299 6063 1 16 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.853 -0.972 18299 6064 1 16 . 1 1 67 67 LEU H H 67 7.947 7.947 8.305 -0.358 18299 6065 1 17 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.490 -0.237 18299 6066 1 17 . 1 1 2 2 PRO C C 2 174.299 174.299 175.591 -1.292 18299 6067 1 17 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.770 0.564 18299 6068 1 17 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.162 0.471 18299 6069 1 17 . 1 1 3 3 LYS N N 3 121.020 121.020 118.669 2.351 18299 6070 1 17 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.579 0.355 18299 6071 1 17 . 1 1 3 3 LYS C C 3 175.055 175.055 174.573 0.482 18299 6072 1 17 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.303 -0.409 18299 6073 1 17 . 1 1 3 3 LYS CB C 3 34.382 34.382 35.291 -0.909 18299 6074 1 17 . 1 1 3 3 LYS H H 3 8.038 8.038 8.126 -0.088 18299 6075 1 17 . 1 1 4 4 HIS N N 4 122.815 122.815 122.289 0.526 18299 6076 1 17 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.151 -0.192 18299 6077 1 17 . 1 1 4 4 HIS C C 4 174.771 174.771 173.809 0.962 18299 6078 1 17 . 1 1 4 4 HIS CA C 4 56.042 56.042 55.053 0.989 18299 6079 1 17 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.766 1.478 18299 6080 1 17 . 1 1 4 4 HIS H H 4 8.908 8.908 8.866 0.042 18299 6081 1 17 . 1 1 5 5 GLU N N 5 122.404 122.404 124.979 -2.575 18299 6082 1 17 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.725 0.568 18299 6083 1 17 . 1 1 5 5 GLU C C 5 174.389 174.389 174.786 -0.397 18299 6084 1 17 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.663 0.185 18299 6085 1 17 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.132 0.610 18299 6086 1 17 . 1 1 5 5 GLU H H 5 8.951 8.951 8.053 0.898 18299 6087 1 17 . 1 1 6 6 PHE N N 6 119.234 119.234 124.697 -5.463 18299 6088 1 17 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.886 0.299 18299 6089 1 17 . 1 1 6 6 PHE C C 6 175.130 175.130 174.104 1.026 18299 6090 1 17 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.298 0.448 18299 6091 1 17 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.391 -0.709 18299 6092 1 17 . 1 1 6 6 PHE H H 6 9.075 9.075 8.322 0.753 18299 6093 1 17 . 1 1 7 7 SER N N 7 118.028 118.028 119.490 -1.462 18299 6094 1 17 . 1 1 7 7 SER HA H 7 5.322 5.322 4.811 0.511 18299 6095 1 17 . 1 1 7 7 SER C C 7 174.651 174.651 172.844 1.807 18299 6096 1 17 . 1 1 7 7 SER CA C 7 56.636 56.636 57.010 -0.374 18299 6097 1 17 . 1 1 7 7 SER CB C 7 63.983 63.983 63.649 0.334 18299 6098 1 17 . 1 1 7 7 SER H H 7 9.346 9.346 8.395 0.951 18299 6099 1 17 . 1 1 8 8 VAL N N 8 125.476 125.476 125.559 -0.083 18299 6100 1 17 . 1 1 8 8 VAL HA H 8 4.683 4.683 5.047 -0.364 18299 6101 1 17 . 1 1 8 8 VAL C C 8 174.360 174.360 174.267 0.093 18299 6102 1 17 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.956 1.063 18299 6103 1 17 . 1 1 8 8 VAL CB C 8 35.221 35.221 34.710 0.511 18299 6104 1 17 . 1 1 8 8 VAL H H 8 8.129 8.129 8.509 -0.380 18299 6105 1 17 . 1 1 9 9 ASP N N 9 124.989 124.989 129.251 -4.262 18299 6106 1 17 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.676 0.020 18299 6107 1 17 . 1 1 9 9 ASP C C 9 175.278 175.278 175.845 -0.567 18299 6108 1 17 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.537 0.474 18299 6109 1 17 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.637 -1.116 18299 6110 1 17 . 1 1 9 9 ASP H H 9 8.285 8.285 8.076 0.209 18299 6111 1 17 . 1 1 10 10 MET N N 10 125.927 125.927 123.896 2.031 18299 6112 1 17 . 1 1 10 10 MET HA H 10 4.712 4.712 4.442 0.270 18299 6113 1 17 . 1 1 10 10 MET C C 10 175.748 175.748 176.411 -0.663 18299 6114 1 17 . 1 1 10 10 MET CA C 10 54.825 54.825 55.652 -0.827 18299 6115 1 17 . 1 1 10 10 MET CB C 10 34.030 34.030 31.458 2.572 18299 6116 1 17 . 1 1 10 10 MET H H 10 8.096 8.096 8.637 -0.541 18299 6117 1 17 . 1 1 11 11 THR N N 11 116.339 116.339 117.301 -0.962 18299 6118 1 17 . 1 1 11 11 THR HA H 11 4.326 4.326 4.567 -0.241 18299 6119 1 17 . 1 1 11 11 THR C C 11 174.832 174.832 175.537 -0.705 18299 6120 1 17 . 1 1 11 11 THR CA C 11 63.908 63.908 62.775 1.133 18299 6121 1 17 . 1 1 11 11 THR CB C 11 69.529 69.529 69.910 -0.381 18299 6122 1 17 . 1 1 11 11 THR H H 11 8.886 8.886 8.774 0.112 18299 6123 1 17 . 1 1 12 12 CYS N N 12 117.534 117.534 121.107 -3.573 18299 6124 1 17 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.680 0.115 18299 6125 1 17 . 1 1 12 12 CYS C C 12 174.892 174.892 176.570 -1.678 18299 6126 1 17 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.518 -0.903 18299 6127 1 17 . 1 1 12 12 CYS CB C 12 29.481 29.481 28.370 1.111 18299 6128 1 17 . 1 1 12 12 CYS H H 12 8.183 8.183 7.873 0.310 18299 6129 1 17 . 1 1 13 13 GLY N N 13 110.516 110.516 111.859 -1.343 18299 6130 1 17 . 1 1 13 13 GLY C C 13 175.328 175.328 176.496 -1.168 18299 6131 1 17 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.478 -0.897 18299 6132 1 17 . 1 1 13 13 GLY H H 13 8.737 8.737 8.352 0.385 18299 6133 1 17 . 1 1 14 14 GLY N N 14 110.521 110.521 108.190 2.331 18299 6134 1 17 . 1 1 14 14 GLY C C 14 175.741 175.741 175.606 0.135 18299 6135 1 17 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.702 -0.696 18299 6136 1 17 . 1 1 14 14 GLY H H 14 8.677 8.677 8.236 0.441 18299 6137 1 17 . 1 1 15 15 CYS N N 15 121.304 121.304 120.178 1.126 18299 6138 1 17 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.448 -0.085 18299 6139 1 17 . 1 1 15 15 CYS C C 15 176.557 176.557 176.485 0.072 18299 6140 1 17 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.733 0.623 18299 6141 1 17 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.391 1.131 18299 6142 1 17 . 1 1 15 15 CYS H H 15 7.853 7.853 8.308 -0.455 18299 6143 1 17 . 1 1 16 16 ALA N N 16 121.907 121.907 122.451 -0.544 18299 6144 1 17 . 1 1 16 16 ALA HA H 16 4.022 4.022 3.987 0.035 18299 6145 1 17 . 1 1 16 16 ALA C C 16 180.089 180.089 178.850 1.239 18299 6146 1 17 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.316 0.478 18299 6147 1 17 . 1 1 16 16 ALA CB C 16 18.282 18.282 17.896 0.386 18299 6148 1 17 . 1 1 16 16 ALA H H 16 8.196 8.196 8.774 -0.578 18299 6149 1 17 . 1 1 17 17 GLU N N 17 118.976 118.976 118.447 0.529 18299 6150 1 17 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.015 0.050 18299 6151 1 17 . 1 1 17 17 GLU C C 17 178.541 178.541 178.092 0.449 18299 6152 1 17 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.104 0.576 18299 6153 1 17 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.474 -0.293 18299 6154 1 17 . 1 1 17 17 GLU H H 17 8.518 8.518 7.798 0.720 18299 6155 1 17 . 1 1 18 18 ALA N N 18 122.909 122.909 121.674 1.235 18299 6156 1 17 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.211 -0.122 18299 6157 1 17 . 1 1 18 18 ALA C C 18 179.665 179.665 180.119 -0.454 18299 6158 1 17 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.471 0.612 18299 6159 1 17 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.377 -0.232 18299 6160 1 17 . 1 1 18 18 ALA H H 18 7.863 7.863 7.393 0.470 18299 6161 1 17 . 1 1 19 19 VAL N N 19 118.050 118.050 119.559 -1.509 18299 6162 1 17 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.602 -0.305 18299 6163 1 17 . 1 1 19 19 VAL C C 19 176.602 176.602 178.102 -1.500 18299 6164 1 17 . 1 1 19 19 VAL CA C 19 66.301 66.301 66.277 0.024 18299 6165 1 17 . 1 1 19 19 VAL CB C 19 31.471 31.471 30.785 0.686 18299 6166 1 17 . 1 1 19 19 VAL H H 19 7.989 7.989 8.500 -0.511 18299 6167 1 17 . 1 1 20 20 SER N N 20 113.425 113.425 115.266 -1.841 18299 6168 1 17 . 1 1 20 20 SER HA H 20 4.086 4.086 4.147 -0.061 18299 6169 1 17 . 1 1 20 20 SER C C 20 175.600 175.600 176.673 -1.073 18299 6170 1 17 . 1 1 20 20 SER CA C 20 62.064 62.064 61.297 0.767 18299 6171 1 17 . 1 1 20 20 SER CB C 20 62.443 62.443 62.760 -0.317 18299 6172 1 17 . 1 1 20 20 SER H H 20 7.808 7.808 7.825 -0.017 18299 6173 1 17 . 1 1 21 21 ARG N N 21 119.858 119.858 121.387 -1.529 18299 6174 1 17 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.922 0.082 18299 6175 1 17 . 1 1 21 21 ARG C C 21 180.231 180.231 178.418 1.813 18299 6176 1 17 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.941 1.129 18299 6177 1 17 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.963 0.513 18299 6178 1 17 . 1 1 21 21 ARG H H 21 8.086 8.086 7.693 0.393 18299 6179 1 17 . 1 1 22 22 VAL N N 22 112.224 112.224 120.312 -8.088 18299 6180 1 17 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.706 0.316 18299 6181 1 17 . 1 1 22 22 VAL C C 22 179.211 179.211 177.333 1.878 18299 6182 1 17 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.248 -0.302 18299 6183 1 17 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.732 -0.069 18299 6184 1 17 . 1 1 22 22 VAL H H 22 7.943 7.943 7.773 0.170 18299 6185 1 17 . 1 1 23 23 LEU N N 23 122.146 122.146 121.737 0.409 18299 6186 1 17 . 1 1 23 23 LEU HA H 23 3.986 3.986 4.001 -0.015 18299 6187 1 17 . 1 1 23 23 LEU C C 23 178.347 178.347 178.479 -0.132 18299 6188 1 17 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.461 -0.212 18299 6189 1 17 . 1 1 23 23 LEU CB C 23 40.850 40.850 40.752 0.098 18299 6190 1 17 . 1 1 23 23 LEU H H 23 7.692 7.692 8.212 -0.520 18299 6191 1 17 . 1 1 24 24 ASN N N 24 118.578 118.578 117.165 1.413 18299 6192 1 17 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.285 0.244 18299 6193 1 17 . 1 1 24 24 ASN C C 24 178.060 178.060 177.478 0.582 18299 6194 1 17 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.263 -0.657 18299 6195 1 17 . 1 1 24 24 ASN CB C 24 37.192 37.192 37.950 -0.758 18299 6196 1 17 . 1 1 24 24 ASN H H 24 8.683 8.683 7.956 0.727 18299 6197 1 17 . 1 1 25 25 LYS N N 25 118.395 118.395 119.595 -1.200 18299 6198 1 17 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.023 0.041 18299 6199 1 17 . 1 1 25 25 LYS C C 25 177.770 177.770 178.140 -0.370 18299 6200 1 17 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.624 -0.379 18299 6201 1 17 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.307 -0.121 18299 6202 1 17 . 1 1 25 25 LYS H H 25 7.469 7.469 7.366 0.103 18299 6203 1 17 . 1 1 26 26 LEU N N 26 121.105 121.105 118.223 2.882 18299 6204 1 17 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.263 -0.172 18299 6205 1 17 . 1 1 26 26 LEU C C 26 178.609 178.609 178.326 0.283 18299 6206 1 17 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.536 1.206 18299 6207 1 17 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.121 0.070 18299 6208 1 17 . 1 1 26 26 LEU H H 26 7.209 7.209 7.716 -0.507 18299 6209 1 17 . 1 1 27 27 GLY N N 27 104.036 104.036 104.827 -0.791 18299 6210 1 17 . 1 1 27 27 GLY C C 27 173.508 173.508 175.326 -1.818 18299 6211 1 17 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.069 -0.836 18299 6212 1 17 . 1 1 27 27 GLY H H 27 7.691 7.691 8.411 -0.720 18299 6213 1 17 . 1 1 28 28 GLY N N 28 106.538 106.538 109.017 -2.479 18299 6214 1 17 . 1 1 28 28 GLY C C 28 175.737 175.737 174.363 1.374 18299 6215 1 17 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.902 1.716 18299 6216 1 17 . 1 1 28 28 GLY H H 28 8.603 8.603 7.752 0.851 18299 6217 1 17 . 1 1 29 29 VAL N N 29 112.116 112.116 115.386 -3.270 18299 6218 1 17 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.557 0.392 18299 6219 1 17 . 1 1 29 29 VAL C C 29 174.487 174.487 175.686 -1.199 18299 6220 1 17 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.485 0.253 18299 6221 1 17 . 1 1 29 29 VAL CB C 29 36.514 36.514 33.585 2.929 18299 6222 1 17 . 1 1 29 29 VAL H H 29 7.974 7.974 7.281 0.693 18299 6223 1 17 . 1 1 30 30 LYS N N 30 124.568 124.568 120.899 3.669 18299 6224 1 17 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.234 0.414 18299 6225 1 17 . 1 1 30 30 LYS C C 30 174.964 174.964 175.690 -0.726 18299 6226 1 17 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.697 -1.694 18299 6227 1 17 . 1 1 30 30 LYS CB C 30 34.639 34.639 33.005 1.634 18299 6228 1 17 . 1 1 30 30 LYS H H 30 8.370 8.370 8.649 -0.279 18299 6229 1 17 . 1 1 31 31 TYR N N 31 121.504 121.504 119.205 2.299 18299 6230 1 17 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.049 0.935 18299 6231 1 17 . 1 1 31 31 TYR C C 31 172.758 172.758 174.127 -1.369 18299 6232 1 17 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.701 -0.577 18299 6233 1 17 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.882 0.899 18299 6234 1 17 . 1 1 31 31 TYR H H 31 8.531 8.531 8.192 0.339 18299 6235 1 17 . 1 1 32 32 ASP N N 32 119.262 119.262 121.061 -1.799 18299 6236 1 17 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.705 0.287 18299 6237 1 17 . 1 1 32 32 ASP C C 32 174.839 174.839 173.766 1.073 18299 6238 1 17 . 1 1 32 32 ASP CA C 32 53.283 53.283 54.508 -1.225 18299 6239 1 17 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.697 0.154 18299 6240 1 17 . 1 1 32 32 ASP H H 32 8.750 8.750 8.787 -0.037 18299 6241 1 17 . 1 1 33 33 ILE N N 33 124.951 124.951 123.455 1.496 18299 6242 1 17 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.403 -0.044 18299 6243 1 17 . 1 1 33 33 ILE C C 33 173.855 173.855 174.093 -0.238 18299 6244 1 17 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.878 2.054 18299 6245 1 17 . 1 1 33 33 ILE CB C 33 39.634 39.634 40.813 -1.179 18299 6246 1 17 . 1 1 33 33 ILE H H 33 9.001 9.001 8.520 0.481 18299 6247 1 17 . 1 1 34 34 ASP N N 34 130.202 130.202 129.809 0.393 18299 6248 1 17 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.022 -0.047 18299 6249 1 17 . 1 1 34 34 ASP C C 34 175.761 175.761 175.843 -0.082 18299 6250 1 17 . 1 1 34 34 ASP CA C 34 51.809 51.809 52.889 -1.080 18299 6251 1 17 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.693 -0.452 18299 6252 1 17 . 1 1 34 34 ASP H H 34 9.033 9.033 8.672 0.361 18299 6253 1 17 . 1 1 35 35 LEU N N 35 123.830 123.830 126.597 -2.767 18299 6254 1 17 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.177 0.133 18299 6255 1 17 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.849 0.014 18299 6256 1 17 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.387 -1.035 18299 6257 1 17 . 1 1 35 35 LEU H H 35 8.888 8.888 8.707 0.181 18299 6258 1 17 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.281 0.015 18299 6259 1 17 . 1 1 36 36 PRO C C 36 177.959 177.959 177.340 0.619 18299 6260 1 17 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.315 1.071 18299 6261 1 17 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.194 0.299 18299 6262 1 17 . 1 1 37 37 ASN N N 37 110.308 110.308 112.354 -2.046 18299 6263 1 17 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.815 0.084 18299 6264 1 17 . 1 1 37 37 ASN C C 37 172.880 172.880 174.261 -1.381 18299 6265 1 17 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.996 -0.388 18299 6266 1 17 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.434 -0.889 18299 6267 1 17 . 1 1 37 37 ASN H H 37 7.255 7.255 7.616 -0.361 18299 6268 1 17 . 1 1 38 38 LYS N N 38 119.648 119.648 115.624 4.024 18299 6269 1 17 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.901 -0.069 18299 6270 1 17 . 1 1 38 38 LYS C C 38 175.375 175.375 175.128 0.247 18299 6271 1 17 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.260 0.968 18299 6272 1 17 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.844 -0.392 18299 6273 1 17 . 1 1 38 38 LYS H H 38 8.328 8.328 7.822 0.506 18299 6274 1 17 . 1 1 39 39 LYS N N 39 116.950 116.950 118.514 -1.564 18299 6275 1 17 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.549 1.105 18299 6276 1 17 . 1 1 39 39 LYS C C 39 174.797 174.797 174.292 0.505 18299 6277 1 17 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.092 -0.188 18299 6278 1 17 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.444 1.175 18299 6279 1 17 . 1 1 39 39 LYS H H 39 8.203 8.203 7.646 0.557 18299 6280 1 17 . 1 1 40 40 VAL N N 40 121.279 121.279 124.434 -3.155 18299 6281 1 17 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.747 0.227 18299 6282 1 17 . 1 1 40 40 VAL C C 40 173.992 173.992 174.475 -0.483 18299 6283 1 17 . 1 1 40 40 VAL CA C 40 60.691 60.691 61.285 -0.594 18299 6284 1 17 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.197 1.620 18299 6285 1 17 . 1 1 40 40 VAL H H 40 9.115 9.115 8.058 1.057 18299 6286 1 17 . 1 1 41 41 CYS N N 41 126.779 126.779 126.654 0.125 18299 6287 1 17 . 1 1 41 41 CYS HA H 41 5.635 5.635 4.812 0.823 18299 6288 1 17 . 1 1 41 41 CYS C C 41 174.839 174.839 173.398 1.441 18299 6289 1 17 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.973 -1.002 18299 6290 1 17 . 1 1 41 41 CYS CB C 41 29.139 29.139 27.950 1.189 18299 6291 1 17 . 1 1 41 41 CYS H H 41 8.767 8.767 8.732 0.035 18299 6292 1 17 . 1 1 42 42 ILE N N 42 125.941 125.941 126.734 -0.793 18299 6293 1 17 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.682 0.297 18299 6294 1 17 . 1 1 42 42 ILE C C 42 174.113 174.113 173.220 0.893 18299 6295 1 17 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.547 1.683 18299 6296 1 17 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.158 0.281 18299 6297 1 17 . 1 1 42 42 ILE H H 42 9.697 9.697 8.567 1.130 18299 6298 1 17 . 1 1 43 43 GLU N N 43 130.488 130.488 129.062 1.426 18299 6299 1 17 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.768 0.688 18299 6300 1 17 . 1 1 43 43 GLU C C 43 176.185 176.185 174.923 1.262 18299 6301 1 17 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.455 -0.570 18299 6302 1 17 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.176 0.850 18299 6303 1 17 . 1 1 43 43 GLU H H 43 9.510 9.510 8.492 1.018 18299 6304 1 17 . 1 1 44 44 SER N N 44 119.391 119.391 117.541 1.850 18299 6305 1 17 . 1 1 44 44 SER HA H 44 4.868 4.868 4.718 0.150 18299 6306 1 17 . 1 1 44 44 SER C C 44 173.026 173.026 174.363 -1.337 18299 6307 1 17 . 1 1 44 44 SER CA C 44 59.104 59.104 56.207 2.897 18299 6308 1 17 . 1 1 44 44 SER CB C 44 66.159 66.159 66.331 -0.172 18299 6309 1 17 . 1 1 44 44 SER H H 44 8.681 8.681 8.183 0.498 18299 6310 1 17 . 1 1 45 45 GLU N N 45 121.420 121.420 121.170 0.250 18299 6311 1 17 . 1 1 45 45 GLU HA H 45 4.554 4.554 3.893 0.661 18299 6312 1 17 . 1 1 45 45 GLU C C 45 177.473 177.473 176.110 1.363 18299 6313 1 17 . 1 1 45 45 GLU CA C 45 56.207 56.207 59.043 -2.836 18299 6314 1 17 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.259 0.592 18299 6315 1 17 . 1 1 45 45 GLU H H 45 9.026 9.026 8.751 0.275 18299 6316 1 17 . 1 1 46 46 HIS N N 46 119.653 119.653 116.544 3.109 18299 6317 1 17 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.615 0.028 18299 6318 1 17 . 1 1 46 46 HIS C C 46 175.514 175.514 174.630 0.884 18299 6319 1 17 . 1 1 46 46 HIS CA C 46 56.915 56.915 55.738 1.177 18299 6320 1 17 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.626 1.099 18299 6321 1 17 . 1 1 46 46 HIS H H 46 8.423 8.423 7.763 0.660 18299 6322 1 17 . 1 1 47 47 SER N N 47 116.562 116.562 114.120 2.442 18299 6323 1 17 . 1 1 47 47 SER HA H 47 4.349 4.349 4.206 0.143 18299 6324 1 17 . 1 1 47 47 SER C C 47 174.638 174.638 173.339 1.299 18299 6325 1 17 . 1 1 47 47 SER CA C 47 57.438 57.438 58.874 -1.436 18299 6326 1 17 . 1 1 47 47 SER CB C 47 65.022 65.022 62.183 2.839 18299 6327 1 17 . 1 1 47 47 SER H H 47 9.093 9.093 8.376 0.717 18299 6328 1 17 . 1 1 48 48 MET N N 48 121.402 121.402 114.543 6.859 18299 6329 1 17 . 1 1 48 48 MET HA H 48 3.412 3.412 4.727 -1.315 18299 6330 1 17 . 1 1 48 48 MET C C 48 177.797 177.797 174.304 3.493 18299 6331 1 17 . 1 1 48 48 MET CA C 48 60.298 60.298 55.634 4.664 18299 6332 1 17 . 1 1 48 48 MET CB C 48 30.776 30.776 33.490 -2.715 18299 6333 1 17 . 1 1 48 48 MET H H 48 8.920 8.920 7.677 1.243 18299 6334 1 17 . 1 1 49 49 ASP N N 49 116.251 116.251 116.757 -0.506 18299 6335 1 17 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.509 -0.307 18299 6336 1 17 . 1 1 49 49 ASP C C 49 179.291 179.291 177.133 2.158 18299 6337 1 17 . 1 1 49 49 ASP CA C 49 57.555 57.555 54.596 2.959 18299 6338 1 17 . 1 1 49 49 ASP CB C 49 40.852 40.852 39.377 1.475 18299 6339 1 17 . 1 1 49 49 ASP H H 49 8.345 8.345 7.894 0.451 18299 6340 1 17 . 1 1 50 50 THR N N 50 120.023 120.023 114.935 5.088 18299 6341 1 17 . 1 1 50 50 THR HA H 50 4.305 4.305 4.165 0.140 18299 6342 1 17 . 1 1 50 50 THR C C 50 177.416 177.416 175.952 1.464 18299 6343 1 17 . 1 1 50 50 THR CA C 50 66.392 66.392 64.850 1.542 18299 6344 1 17 . 1 1 50 50 THR CB C 50 68.452 68.452 68.618 -0.166 18299 6345 1 17 . 1 1 50 50 THR H H 50 8.019 8.019 8.055 -0.036 18299 6346 1 17 . 1 1 51 51 LEU N N 51 124.562 124.562 121.276 3.286 18299 6347 1 17 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.058 -0.550 18299 6348 1 17 . 1 1 51 51 LEU C C 51 177.386 177.386 179.239 -1.853 18299 6349 1 17 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.758 0.705 18299 6350 1 17 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.647 1.721 18299 6351 1 17 . 1 1 51 51 LEU H H 51 8.043 8.043 7.970 0.073 18299 6352 1 17 . 1 1 52 52 LEU N N 52 120.718 120.718 117.059 3.659 18299 6353 1 17 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.053 -0.507 18299 6354 1 17 . 1 1 52 52 LEU C C 52 178.065 178.065 178.849 -0.784 18299 6355 1 17 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.885 0.586 18299 6356 1 17 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.521 2.180 18299 6357 1 17 . 1 1 52 52 LEU H H 52 8.993 8.993 7.847 1.146 18299 6358 1 17 . 1 1 53 53 ALA N N 53 118.641 118.641 121.521 -2.880 18299 6359 1 17 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.991 -0.078 18299 6360 1 17 . 1 1 53 53 ALA C C 53 180.677 180.677 179.603 1.074 18299 6361 1 17 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.143 -0.108 18299 6362 1 17 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.330 -0.161 18299 6363 1 17 . 1 1 53 53 ALA H H 53 7.859 7.859 7.777 0.082 18299 6364 1 17 . 1 1 54 54 THR N N 54 114.407 114.407 113.480 0.927 18299 6365 1 17 . 1 1 54 54 THR HA H 54 3.662 3.662 4.001 -0.339 18299 6366 1 17 . 1 1 54 54 THR C C 54 175.694 175.694 176.730 -1.036 18299 6367 1 17 . 1 1 54 54 THR CA C 54 67.449 67.449 65.624 1.825 18299 6368 1 17 . 1 1 54 54 THR CB C 54 68.226 68.226 69.020 -0.794 18299 6369 1 17 . 1 1 54 54 THR H H 54 7.688 7.688 7.672 0.016 18299 6370 1 17 . 1 1 55 55 LEU N N 55 119.491 119.491 121.384 -1.893 18299 6371 1 17 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.137 -0.335 18299 6372 1 17 . 1 1 55 55 LEU C C 55 179.660 179.660 179.270 0.390 18299 6373 1 17 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.781 0.070 18299 6374 1 17 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.501 1.506 18299 6375 1 17 . 1 1 55 55 LEU H H 55 8.104 8.104 8.503 -0.399 18299 6376 1 17 . 1 1 56 56 LYS N N 56 119.317 119.317 118.710 0.607 18299 6377 1 17 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.360 -0.391 18299 6378 1 17 . 1 1 56 56 LYS C C 56 179.227 179.227 179.159 0.068 18299 6379 1 17 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.451 1.325 18299 6380 1 17 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.101 0.121 18299 6381 1 17 . 1 1 56 56 LYS H H 56 8.333 8.333 8.263 0.070 18299 6382 1 17 . 1 1 57 57 LYS N N 57 120.188 120.188 120.183 0.005 18299 6383 1 17 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.063 0.099 18299 6384 1 17 . 1 1 57 57 LYS C C 57 178.128 178.128 177.773 0.355 18299 6385 1 17 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.112 -0.029 18299 6386 1 17 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.305 0.147 18299 6387 1 17 . 1 1 57 57 LYS H H 57 7.646 7.646 7.526 0.120 18299 6388 1 17 . 1 1 58 58 THR N N 58 106.563 106.563 110.896 -4.333 18299 6389 1 17 . 1 1 58 58 THR HA H 58 4.277 4.277 4.394 -0.117 18299 6390 1 17 . 1 1 58 58 THR C C 58 175.933 175.933 175.373 0.560 18299 6391 1 17 . 1 1 58 58 THR CA C 58 63.742 63.742 61.713 2.029 18299 6392 1 17 . 1 1 58 58 THR CB C 58 71.108 71.108 69.098 2.010 18299 6393 1 17 . 1 1 58 58 THR H H 58 7.483 7.483 7.631 -0.148 18299 6394 1 17 . 1 1 59 59 GLY N N 59 108.569 108.569 109.841 -1.272 18299 6395 1 17 . 1 1 59 59 GLY C C 59 173.171 173.171 173.997 -0.826 18299 6396 1 17 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.437 -0.446 18299 6397 1 17 . 1 1 59 59 GLY H H 59 7.774 7.774 8.283 -0.509 18299 6398 1 17 . 1 1 60 60 ALA N N 60 122.420 122.420 121.839 0.581 18299 6399 1 17 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.346 0.160 18299 6400 1 17 . 1 1 60 60 ALA C C 60 177.155 177.155 177.137 0.018 18299 6401 1 17 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.664 -0.609 18299 6402 1 17 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.208 0.100 18299 6403 1 17 . 1 1 60 60 ALA H H 60 7.524 7.524 7.353 0.171 18299 6404 1 17 . 1 1 61 61 THR N N 61 117.690 117.690 116.330 1.360 18299 6405 1 17 . 1 1 61 61 THR HA H 61 4.321 4.321 4.344 -0.023 18299 6406 1 17 . 1 1 61 61 THR C C 61 174.635 174.635 173.524 1.111 18299 6407 1 17 . 1 1 61 61 THR CA C 61 63.922 63.922 62.360 1.562 18299 6408 1 17 . 1 1 61 61 THR CB C 61 68.904 68.904 69.641 -0.737 18299 6409 1 17 . 1 1 61 61 THR H H 61 8.491 8.491 8.619 -0.128 18299 6410 1 17 . 1 1 62 62 VAL N N 62 129.030 129.030 127.070 1.960 18299 6411 1 17 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.753 0.561 18299 6412 1 17 . 1 1 62 62 VAL C C 62 174.947 174.947 174.607 0.340 18299 6413 1 17 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.146 0.169 18299 6414 1 17 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.312 1.353 18299 6415 1 17 . 1 1 62 62 VAL H H 62 8.709 8.709 8.370 0.339 18299 6416 1 17 . 1 1 63 63 SER N N 63 119.588 119.588 123.940 -4.352 18299 6417 1 17 . 1 1 63 63 SER HA H 63 4.865 4.865 4.668 0.197 18299 6418 1 17 . 1 1 63 63 SER C C 63 173.019 173.019 172.082 0.937 18299 6419 1 17 . 1 1 63 63 SER CA C 63 57.347 57.347 56.817 0.530 18299 6420 1 17 . 1 1 63 63 SER CB C 63 65.605 65.605 65.220 0.385 18299 6421 1 17 . 1 1 63 63 SER H H 63 8.988 8.988 8.277 0.712 18299 6422 1 17 . 1 1 64 64 TYR N N 64 125.400 125.400 126.961 -1.561 18299 6423 1 17 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.442 1.137 18299 6424 1 17 . 1 1 64 64 TYR C C 64 175.523 175.523 174.457 1.066 18299 6425 1 17 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.310 1.144 18299 6426 1 17 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.000 1.022 18299 6427 1 17 . 1 1 64 64 TYR H H 64 9.391 9.391 8.507 0.884 18299 6428 1 17 . 1 1 65 65 LEU N N 65 128.500 128.500 128.328 0.172 18299 6429 1 17 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.010 0.309 18299 6430 1 17 . 1 1 65 65 LEU C C 65 176.473 176.473 177.599 -1.126 18299 6431 1 17 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.629 -0.952 18299 6432 1 17 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.435 -0.377 18299 6433 1 17 . 1 1 65 65 LEU H H 65 8.304 8.304 8.277 0.027 18299 6434 1 17 . 1 1 66 66 GLY N N 66 105.737 105.737 104.036 1.701 18299 6435 1 17 . 1 1 66 66 GLY C C 66 171.330 171.330 172.171 -0.841 18299 6436 1 17 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.753 0.283 18299 6437 1 17 . 1 1 66 66 GLY H H 66 5.977 5.977 7.583 -1.606 18299 6438 1 17 . 1 1 67 67 LEU N N 67 120.133 120.133 120.016 0.117 18299 6439 1 17 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.925 -0.143 18299 6440 1 17 . 1 1 67 67 LEU C C 67 177.339 177.339 176.962 0.377 18299 6441 1 17 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.740 -0.364 18299 6442 1 17 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.008 0.873 18299 6443 1 17 . 1 1 67 67 LEU H H 67 7.947 7.947 8.604 -0.657 18299 6444 1 18 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.654 -0.401 18299 6445 1 18 . 1 1 2 2 PRO C C 2 174.299 174.299 175.880 -1.581 18299 6446 1 18 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.301 1.034 18299 6447 1 18 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.674 -0.041 18299 6448 1 18 . 1 1 3 3 LYS N N 3 121.020 121.020 121.042 -0.022 18299 6449 1 18 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.644 0.290 18299 6450 1 18 . 1 1 3 3 LYS C C 3 175.055 175.055 174.702 0.353 18299 6451 1 18 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.038 -0.144 18299 6452 1 18 . 1 1 3 3 LYS CB C 3 34.382 34.382 35.157 -0.775 18299 6453 1 18 . 1 1 3 3 LYS H H 3 8.038 8.038 8.384 -0.346 18299 6454 1 18 . 1 1 4 4 HIS N N 4 122.815 122.815 122.326 0.489 18299 6455 1 18 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.065 -0.106 18299 6456 1 18 . 1 1 4 4 HIS C C 4 174.771 174.771 173.610 1.161 18299 6457 1 18 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.536 1.506 18299 6458 1 18 . 1 1 4 4 HIS CB C 4 35.244 35.244 33.188 2.056 18299 6459 1 18 . 1 1 4 4 HIS H H 4 8.908 8.908 8.633 0.275 18299 6460 1 18 . 1 1 5 5 GLU N N 5 122.404 122.404 127.240 -4.836 18299 6461 1 18 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.726 0.567 18299 6462 1 18 . 1 1 5 5 GLU C C 5 174.389 174.389 175.024 -0.635 18299 6463 1 18 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.453 0.395 18299 6464 1 18 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.396 1.346 18299 6465 1 18 . 1 1 5 5 GLU H H 5 8.951 8.951 8.634 0.317 18299 6466 1 18 . 1 1 6 6 PHE N N 6 119.234 119.234 124.872 -5.638 18299 6467 1 18 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.859 0.326 18299 6468 1 18 . 1 1 6 6 PHE C C 6 175.130 175.130 174.008 1.122 18299 6469 1 18 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.310 0.436 18299 6470 1 18 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.693 -1.011 18299 6471 1 18 . 1 1 6 6 PHE H H 6 9.075 9.075 8.790 0.285 18299 6472 1 18 . 1 1 7 7 SER N N 7 118.028 118.028 118.725 -0.697 18299 6473 1 18 . 1 1 7 7 SER HA H 7 5.322 5.322 4.770 0.552 18299 6474 1 18 . 1 1 7 7 SER C C 7 174.651 174.651 172.530 2.121 18299 6475 1 18 . 1 1 7 7 SER CA C 7 56.636 56.636 56.827 -0.191 18299 6476 1 18 . 1 1 7 7 SER CB C 7 63.983 63.983 64.033 -0.050 18299 6477 1 18 . 1 1 7 7 SER H H 7 9.346 9.346 9.004 0.342 18299 6478 1 18 . 1 1 8 8 VAL N N 8 125.476 125.476 127.190 -1.714 18299 6479 1 18 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.978 -0.295 18299 6480 1 18 . 1 1 8 8 VAL C C 8 174.360 174.360 174.285 0.075 18299 6481 1 18 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.658 1.362 18299 6482 1 18 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.493 -0.272 18299 6483 1 18 . 1 1 8 8 VAL H H 8 8.129 8.129 8.454 -0.325 18299 6484 1 18 . 1 1 9 9 ASP N N 9 124.989 124.989 129.577 -4.588 18299 6485 1 18 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.786 -0.090 18299 6486 1 18 . 1 1 9 9 ASP C C 9 175.278 175.278 175.460 -0.182 18299 6487 1 18 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.754 0.257 18299 6488 1 18 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.807 -1.286 18299 6489 1 18 . 1 1 9 9 ASP H H 9 8.285 8.285 8.205 0.080 18299 6490 1 18 . 1 1 10 10 MET N N 10 125.927 125.927 124.004 1.923 18299 6491 1 18 . 1 1 10 10 MET HA H 10 4.712 4.712 4.398 0.314 18299 6492 1 18 . 1 1 10 10 MET C C 10 175.748 175.748 176.555 -0.807 18299 6493 1 18 . 1 1 10 10 MET CA C 10 54.825 54.825 56.235 -1.410 18299 6494 1 18 . 1 1 10 10 MET CB C 10 34.030 34.030 32.302 1.728 18299 6495 1 18 . 1 1 10 10 MET H H 10 8.096 8.096 8.466 -0.370 18299 6496 1 18 . 1 1 11 11 THR N N 11 116.339 116.339 114.827 1.512 18299 6497 1 18 . 1 1 11 11 THR HA H 11 4.326 4.326 4.465 -0.139 18299 6498 1 18 . 1 1 11 11 THR C C 11 174.832 174.832 175.460 -0.628 18299 6499 1 18 . 1 1 11 11 THR CA C 11 63.908 63.908 62.279 1.629 18299 6500 1 18 . 1 1 11 11 THR CB C 11 69.529 69.529 69.726 -0.197 18299 6501 1 18 . 1 1 11 11 THR H H 11 8.886 8.886 8.606 0.280 18299 6502 1 18 . 1 1 12 12 CYS N N 12 117.534 117.534 122.645 -5.111 18299 6503 1 18 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.691 0.103 18299 6504 1 18 . 1 1 12 12 CYS C C 12 174.892 174.892 176.854 -1.962 18299 6505 1 18 . 1 1 12 12 CYS CA C 12 57.615 57.615 57.709 -0.094 18299 6506 1 18 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.449 2.032 18299 6507 1 18 . 1 1 12 12 CYS H H 12 8.183 8.183 8.374 -0.191 18299 6508 1 18 . 1 1 13 13 GLY N N 13 110.516 110.516 111.797 -1.281 18299 6509 1 18 . 1 1 13 13 GLY C C 13 175.328 175.328 176.428 -1.100 18299 6510 1 18 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.467 -0.886 18299 6511 1 18 . 1 1 13 13 GLY H H 13 8.737 8.737 8.323 0.414 18299 6512 1 18 . 1 1 14 14 GLY N N 14 110.521 110.521 108.598 1.923 18299 6513 1 18 . 1 1 14 14 GLY C C 14 175.741 175.741 175.651 0.090 18299 6514 1 18 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.825 -0.819 18299 6515 1 18 . 1 1 14 14 GLY H H 14 8.677 8.677 8.341 0.336 18299 6516 1 18 . 1 1 15 15 CYS N N 15 121.304 121.304 120.364 0.940 18299 6517 1 18 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.477 -0.114 18299 6518 1 18 . 1 1 15 15 CYS C C 15 176.557 176.557 176.368 0.189 18299 6519 1 18 . 1 1 15 15 CYS CA C 15 61.356 61.356 59.931 1.425 18299 6520 1 18 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.287 1.236 18299 6521 1 18 . 1 1 15 15 CYS H H 15 7.853 7.853 8.362 -0.509 18299 6522 1 18 . 1 1 16 16 ALA N N 16 121.907 121.907 122.782 -0.875 18299 6523 1 18 . 1 1 16 16 ALA HA H 16 4.022 4.022 3.971 0.051 18299 6524 1 18 . 1 1 16 16 ALA C C 16 180.089 180.089 179.191 0.898 18299 6525 1 18 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.317 0.477 18299 6526 1 18 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.158 0.124 18299 6527 1 18 . 1 1 16 16 ALA H H 16 8.196 8.196 8.785 -0.589 18299 6528 1 18 . 1 1 17 17 GLU N N 17 118.976 118.976 118.385 0.591 18299 6529 1 18 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.038 0.027 18299 6530 1 18 . 1 1 17 17 GLU C C 17 178.541 178.541 178.627 -0.086 18299 6531 1 18 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.372 0.308 18299 6532 1 18 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.568 -0.387 18299 6533 1 18 . 1 1 17 17 GLU H H 17 8.518 8.518 7.845 0.673 18299 6534 1 18 . 1 1 18 18 ALA N N 18 122.909 122.909 121.866 1.043 18299 6535 1 18 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.196 -0.107 18299 6536 1 18 . 1 1 18 18 ALA C C 18 179.665 179.665 179.778 -0.113 18299 6537 1 18 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.558 0.526 18299 6538 1 18 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.212 -0.067 18299 6539 1 18 . 1 1 18 18 ALA H H 18 7.863 7.863 7.368 0.495 18299 6540 1 18 . 1 1 19 19 VAL N N 19 118.050 118.050 118.535 -0.485 18299 6541 1 18 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.529 -0.232 18299 6542 1 18 . 1 1 19 19 VAL C C 19 176.602 176.602 177.762 -1.160 18299 6543 1 18 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.959 0.342 18299 6544 1 18 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.798 -0.327 18299 6545 1 18 . 1 1 19 19 VAL H H 19 7.989 7.989 8.062 -0.073 18299 6546 1 18 . 1 1 20 20 SER N N 20 113.425 113.425 114.958 -1.533 18299 6547 1 18 . 1 1 20 20 SER HA H 20 4.086 4.086 3.987 0.099 18299 6548 1 18 . 1 1 20 20 SER C C 20 175.600 175.600 176.668 -1.068 18299 6549 1 18 . 1 1 20 20 SER CA C 20 62.064 62.064 61.702 0.362 18299 6550 1 18 . 1 1 20 20 SER CB C 20 62.443 62.443 62.979 -0.536 18299 6551 1 18 . 1 1 20 20 SER H H 20 7.808 7.808 7.688 0.120 18299 6552 1 18 . 1 1 21 21 ARG N N 21 119.858 119.858 121.602 -1.744 18299 6553 1 18 . 1 1 21 21 ARG HA H 21 4.004 4.004 4.019 -0.015 18299 6554 1 18 . 1 1 21 21 ARG C C 21 180.231 180.231 178.414 1.817 18299 6555 1 18 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.193 0.877 18299 6556 1 18 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.945 0.531 18299 6557 1 18 . 1 1 21 21 ARG H H 21 8.086 8.086 7.504 0.582 18299 6558 1 18 . 1 1 22 22 VAL N N 22 112.224 112.224 119.824 -7.600 18299 6559 1 18 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.775 0.247 18299 6560 1 18 . 1 1 22 22 VAL C C 22 179.211 179.211 177.312 1.899 18299 6561 1 18 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.295 -0.349 18299 6562 1 18 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.835 -1.172 18299 6563 1 18 . 1 1 22 22 VAL H H 22 7.943 7.943 7.633 0.310 18299 6564 1 18 . 1 1 23 23 LEU N N 23 122.146 122.146 121.484 0.662 18299 6565 1 18 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.936 0.050 18299 6566 1 18 . 1 1 23 23 LEU C C 23 178.347 178.347 177.579 0.768 18299 6567 1 18 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.465 -0.216 18299 6568 1 18 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.400 -0.550 18299 6569 1 18 . 1 1 23 23 LEU H H 23 7.692 7.692 8.012 -0.320 18299 6570 1 18 . 1 1 24 24 ASN N N 24 118.578 118.578 116.405 2.173 18299 6571 1 18 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.263 0.266 18299 6572 1 18 . 1 1 24 24 ASN C C 24 178.060 178.060 176.827 1.233 18299 6573 1 18 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.039 -0.433 18299 6574 1 18 . 1 1 24 24 ASN CB C 24 37.192 37.192 37.666 -0.474 18299 6575 1 18 . 1 1 24 24 ASN H H 24 8.683 8.683 8.089 0.594 18299 6576 1 18 . 1 1 25 25 LYS N N 25 118.395 118.395 120.546 -2.151 18299 6577 1 18 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.082 -0.018 18299 6578 1 18 . 1 1 25 25 LYS C C 25 177.770 177.770 177.999 -0.229 18299 6579 1 18 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.713 -0.468 18299 6580 1 18 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.264 -0.077 18299 6581 1 18 . 1 1 25 25 LYS H H 25 7.469 7.469 7.649 -0.180 18299 6582 1 18 . 1 1 26 26 LEU N N 26 121.105 121.105 117.888 3.217 18299 6583 1 18 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.296 -0.205 18299 6584 1 18 . 1 1 26 26 LEU C C 26 178.609 178.609 177.534 1.075 18299 6585 1 18 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.046 1.696 18299 6586 1 18 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.938 0.253 18299 6587 1 18 . 1 1 26 26 LEU H H 26 7.209 7.209 7.950 -0.741 18299 6588 1 18 . 1 1 27 27 GLY N N 27 104.036 104.036 103.714 0.322 18299 6589 1 18 . 1 1 27 27 GLY C C 27 173.508 173.508 174.666 -1.158 18299 6590 1 18 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.150 -0.917 18299 6591 1 18 . 1 1 27 27 GLY H H 27 7.691 7.691 8.126 -0.435 18299 6592 1 18 . 1 1 28 28 GLY N N 28 106.538 106.538 109.428 -2.890 18299 6593 1 18 . 1 1 28 28 GLY C C 28 175.737 175.737 174.225 1.512 18299 6594 1 18 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.216 1.402 18299 6595 1 18 . 1 1 28 28 GLY H H 28 8.603 8.603 7.670 0.933 18299 6596 1 18 . 1 1 29 29 VAL N N 29 112.116 112.116 112.749 -0.633 18299 6597 1 18 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.702 0.247 18299 6598 1 18 . 1 1 29 29 VAL C C 29 174.487 174.487 175.032 -0.545 18299 6599 1 18 . 1 1 29 29 VAL CA C 29 59.738 59.738 58.542 1.196 18299 6600 1 18 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.072 2.442 18299 6601 1 18 . 1 1 29 29 VAL H H 29 7.974 7.974 7.342 0.632 18299 6602 1 18 . 1 1 30 30 LYS N N 30 124.568 124.568 121.868 2.700 18299 6603 1 18 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.515 0.133 18299 6604 1 18 . 1 1 30 30 LYS C C 30 174.964 174.964 175.503 -0.539 18299 6605 1 18 . 1 1 30 30 LYS CA C 30 56.003 56.003 56.975 -0.972 18299 6606 1 18 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.676 1.963 18299 6607 1 18 . 1 1 30 30 LYS H H 30 8.370 8.370 8.645 -0.275 18299 6608 1 18 . 1 1 31 31 TYR N N 31 121.504 121.504 121.650 -0.146 18299 6609 1 18 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.483 0.501 18299 6610 1 18 . 1 1 31 31 TYR C C 31 172.758 172.758 173.958 -1.200 18299 6611 1 18 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.317 -0.193 18299 6612 1 18 . 1 1 31 31 TYR CB C 31 42.781 42.781 42.078 0.703 18299 6613 1 18 . 1 1 31 31 TYR H H 31 8.531 8.531 8.361 0.170 18299 6614 1 18 . 1 1 32 32 ASP N N 32 119.262 119.262 121.124 -1.862 18299 6615 1 18 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.690 0.302 18299 6616 1 18 . 1 1 32 32 ASP C C 32 174.839 174.839 174.758 0.081 18299 6617 1 18 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.413 -0.130 18299 6618 1 18 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.279 0.572 18299 6619 1 18 . 1 1 32 32 ASP H H 32 8.750 8.750 8.387 0.363 18299 6620 1 18 . 1 1 33 33 ILE N N 33 124.951 124.951 117.430 7.521 18299 6621 1 18 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.509 -0.150 18299 6622 1 18 . 1 1 33 33 ILE C C 33 173.855 173.855 175.085 -1.230 18299 6623 1 18 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.001 1.931 18299 6624 1 18 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.153 0.481 18299 6625 1 18 . 1 1 33 33 ILE H H 33 9.001 9.001 8.280 0.722 18299 6626 1 18 . 1 1 34 34 ASP N N 34 130.202 130.202 126.894 3.308 18299 6627 1 18 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.986 -0.011 18299 6628 1 18 . 1 1 34 34 ASP C C 34 175.761 175.761 176.432 -0.671 18299 6629 1 18 . 1 1 34 34 ASP CA C 34 51.809 51.809 52.952 -1.143 18299 6630 1 18 . 1 1 34 34 ASP CB C 34 41.241 41.241 40.746 0.495 18299 6631 1 18 . 1 1 34 34 ASP H H 34 9.033 9.033 8.152 0.881 18299 6632 1 18 . 1 1 35 35 LEU N N 35 123.830 123.830 122.595 1.235 18299 6633 1 18 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.443 -0.133 18299 6634 1 18 . 1 1 35 35 LEU CA C 35 59.862 59.862 58.318 1.544 18299 6635 1 18 . 1 1 35 35 LEU CB C 35 39.352 39.352 39.522 -0.169 18299 6636 1 18 . 1 1 35 35 LEU H H 35 8.888 8.888 8.580 0.308 18299 6637 1 18 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.244 0.052 18299 6638 1 18 . 1 1 36 36 PRO C C 36 177.959 177.959 177.449 0.510 18299 6639 1 18 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.501 0.885 18299 6640 1 18 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.197 0.296 18299 6641 1 18 . 1 1 37 37 ASN N N 37 110.308 110.308 112.328 -2.020 18299 6642 1 18 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.800 0.099 18299 6643 1 18 . 1 1 37 37 ASN C C 37 172.880 172.880 174.276 -1.396 18299 6644 1 18 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.566 0.042 18299 6645 1 18 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.921 -1.376 18299 6646 1 18 . 1 1 37 37 ASN H H 37 7.255 7.255 7.668 -0.413 18299 6647 1 18 . 1 1 38 38 LYS N N 38 119.648 119.648 117.242 2.406 18299 6648 1 18 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.871 -0.039 18299 6649 1 18 . 1 1 38 38 LYS C C 38 175.375 175.375 174.462 0.913 18299 6650 1 18 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.418 0.810 18299 6651 1 18 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.538 -0.086 18299 6652 1 18 . 1 1 38 38 LYS H H 38 8.328 8.328 7.990 0.338 18299 6653 1 18 . 1 1 39 39 LYS N N 39 116.950 116.950 117.511 -0.561 18299 6654 1 18 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.694 0.960 18299 6655 1 18 . 1 1 39 39 LYS C C 39 174.797 174.797 173.899 0.898 18299 6656 1 18 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.897 0.007 18299 6657 1 18 . 1 1 39 39 LYS CB C 39 37.619 37.619 36.773 0.846 18299 6658 1 18 . 1 1 39 39 LYS H H 39 8.203 8.203 7.395 0.808 18299 6659 1 18 . 1 1 40 40 VAL N N 40 121.279 121.279 119.703 1.576 18299 6660 1 18 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.607 0.367 18299 6661 1 18 . 1 1 40 40 VAL C C 40 173.992 173.992 174.466 -0.474 18299 6662 1 18 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.322 0.369 18299 6663 1 18 . 1 1 40 40 VAL CB C 40 35.817 35.817 33.316 2.501 18299 6664 1 18 . 1 1 40 40 VAL H H 40 9.115 9.115 8.069 1.046 18299 6665 1 18 . 1 1 41 41 CYS N N 41 126.779 126.779 126.710 0.069 18299 6666 1 18 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.076 0.559 18299 6667 1 18 . 1 1 41 41 CYS C C 41 174.839 174.839 173.429 1.410 18299 6668 1 18 . 1 1 41 41 CYS CA C 41 56.971 56.971 56.971 -0.000 18299 6669 1 18 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.695 0.445 18299 6670 1 18 . 1 1 41 41 CYS H H 41 8.767 8.767 8.340 0.427 18299 6671 1 18 . 1 1 42 42 ILE N N 42 125.941 125.941 128.172 -2.231 18299 6672 1 18 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.984 -0.005 18299 6673 1 18 . 1 1 42 42 ILE C C 42 174.113 174.113 173.162 0.951 18299 6674 1 18 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.219 2.010 18299 6675 1 18 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.103 0.336 18299 6676 1 18 . 1 1 42 42 ILE H H 42 9.697 9.697 9.152 0.545 18299 6677 1 18 . 1 1 43 43 GLU N N 43 130.488 130.488 129.632 0.856 18299 6678 1 18 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.682 0.774 18299 6679 1 18 . 1 1 43 43 GLU C C 43 176.185 176.185 174.279 1.906 18299 6680 1 18 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.302 -0.417 18299 6681 1 18 . 1 1 43 43 GLU CB C 43 32.026 32.026 32.206 -0.180 18299 6682 1 18 . 1 1 43 43 GLU H H 43 9.510 9.510 8.677 0.833 18299 6683 1 18 . 1 1 44 44 SER N N 44 119.391 119.391 119.408 -0.017 18299 6684 1 18 . 1 1 44 44 SER HA H 44 4.868 4.868 4.580 0.288 18299 6685 1 18 . 1 1 44 44 SER C C 44 173.026 173.026 174.328 -1.302 18299 6686 1 18 . 1 1 44 44 SER CA C 44 59.104 59.104 56.342 2.762 18299 6687 1 18 . 1 1 44 44 SER CB C 44 66.159 66.159 65.395 0.764 18299 6688 1 18 . 1 1 44 44 SER H H 44 8.681 8.681 8.504 0.177 18299 6689 1 18 . 1 1 45 45 GLU N N 45 121.420 121.420 122.400 -0.980 18299 6690 1 18 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.119 0.435 18299 6691 1 18 . 1 1 45 45 GLU C C 45 177.473 177.473 176.404 1.069 18299 6692 1 18 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.104 -1.897 18299 6693 1 18 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.924 -0.073 18299 6694 1 18 . 1 1 45 45 GLU H H 45 9.026 9.026 8.496 0.530 18299 6695 1 18 . 1 1 46 46 HIS N N 46 119.653 119.653 117.297 2.356 18299 6696 1 18 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.616 0.027 18299 6697 1 18 . 1 1 46 46 HIS C C 46 175.514 175.514 174.829 0.685 18299 6698 1 18 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.460 0.455 18299 6699 1 18 . 1 1 46 46 HIS CB C 46 31.725 31.725 29.717 2.008 18299 6700 1 18 . 1 1 46 46 HIS H H 46 8.423 8.423 7.416 1.007 18299 6701 1 18 . 1 1 47 47 SER N N 47 116.562 116.562 116.206 0.356 18299 6702 1 18 . 1 1 47 47 SER HA H 47 4.349 4.349 4.142 0.207 18299 6703 1 18 . 1 1 47 47 SER C C 47 174.638 174.638 174.220 0.418 18299 6704 1 18 . 1 1 47 47 SER CA C 47 57.438 57.438 58.755 -1.317 18299 6705 1 18 . 1 1 47 47 SER CB C 47 65.022 65.022 63.200 1.823 18299 6706 1 18 . 1 1 47 47 SER H H 47 9.093 9.093 7.922 1.171 18299 6707 1 18 . 1 1 48 48 MET N N 48 121.402 121.402 121.116 0.286 18299 6708 1 18 . 1 1 48 48 MET HA H 48 3.412 3.412 4.188 -0.776 18299 6709 1 18 . 1 1 48 48 MET C C 48 177.797 177.797 174.455 3.342 18299 6710 1 18 . 1 1 48 48 MET CA C 48 60.298 60.298 57.031 3.267 18299 6711 1 18 . 1 1 48 48 MET CB C 48 30.776 30.776 31.736 -0.961 18299 6712 1 18 . 1 1 48 48 MET H H 48 8.920 8.920 8.893 0.027 18299 6713 1 18 . 1 1 49 49 ASP N N 49 116.251 116.251 116.154 0.097 18299 6714 1 18 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.576 -0.374 18299 6715 1 18 . 1 1 49 49 ASP C C 49 179.291 179.291 177.292 1.999 18299 6716 1 18 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.476 2.079 18299 6717 1 18 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.815 0.037 18299 6718 1 18 . 1 1 49 49 ASP H H 49 8.345 8.345 8.368 -0.023 18299 6719 1 18 . 1 1 50 50 THR N N 50 120.023 120.023 116.148 3.875 18299 6720 1 18 . 1 1 50 50 THR HA H 50 4.305 4.305 4.146 0.159 18299 6721 1 18 . 1 1 50 50 THR C C 50 177.416 177.416 175.881 1.535 18299 6722 1 18 . 1 1 50 50 THR CA C 50 66.392 66.392 64.335 2.057 18299 6723 1 18 . 1 1 50 50 THR CB C 50 68.452 68.452 68.329 0.123 18299 6724 1 18 . 1 1 50 50 THR H H 50 8.019 8.019 8.287 -0.268 18299 6725 1 18 . 1 1 51 51 LEU N N 51 124.562 124.562 120.215 4.347 18299 6726 1 18 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.948 -0.440 18299 6727 1 18 . 1 1 51 51 LEU C C 51 177.386 177.386 178.659 -1.273 18299 6728 1 18 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.266 0.197 18299 6729 1 18 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.181 2.187 18299 6730 1 18 . 1 1 51 51 LEU H H 51 8.043 8.043 7.943 0.100 18299 6731 1 18 . 1 1 52 52 LEU N N 52 120.718 120.718 117.006 3.712 18299 6732 1 18 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.083 -0.537 18299 6733 1 18 . 1 1 52 52 LEU C C 52 178.065 178.065 178.982 -0.917 18299 6734 1 18 . 1 1 52 52 LEU CA C 52 58.471 58.471 58.350 0.121 18299 6735 1 18 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.229 2.472 18299 6736 1 18 . 1 1 52 52 LEU H H 52 8.993 8.993 7.669 1.324 18299 6737 1 18 . 1 1 53 53 ALA N N 53 118.641 118.641 121.439 -2.798 18299 6738 1 18 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.966 -0.053 18299 6739 1 18 . 1 1 53 53 ALA C C 53 180.677 180.677 179.773 0.904 18299 6740 1 18 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.195 -0.160 18299 6741 1 18 . 1 1 53 53 ALA CB C 53 18.169 18.169 17.961 0.208 18299 6742 1 18 . 1 1 53 53 ALA H H 53 7.859 7.859 7.778 0.081 18299 6743 1 18 . 1 1 54 54 THR N N 54 114.407 114.407 115.707 -1.300 18299 6744 1 18 . 1 1 54 54 THR HA H 54 3.662 3.662 4.069 -0.407 18299 6745 1 18 . 1 1 54 54 THR C C 54 175.694 175.694 176.621 -0.927 18299 6746 1 18 . 1 1 54 54 THR CA C 54 67.449 67.449 66.341 1.107 18299 6747 1 18 . 1 1 54 54 THR CB C 54 68.226 68.226 68.592 -0.366 18299 6748 1 18 . 1 1 54 54 THR H H 54 7.688 7.688 7.560 0.128 18299 6749 1 18 . 1 1 55 55 LEU N N 55 119.491 119.491 121.133 -1.642 18299 6750 1 18 . 1 1 55 55 LEU HA H 55 3.802 3.802 3.941 -0.139 18299 6751 1 18 . 1 1 55 55 LEU C C 55 179.660 179.660 178.749 0.911 18299 6752 1 18 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.913 -0.062 18299 6753 1 18 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.603 1.404 18299 6754 1 18 . 1 1 55 55 LEU H H 55 8.104 8.104 8.582 -0.478 18299 6755 1 18 . 1 1 56 56 LYS N N 56 119.317 119.317 118.896 0.421 18299 6756 1 18 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.149 -0.180 18299 6757 1 18 . 1 1 56 56 LYS C C 56 179.227 179.227 179.691 -0.464 18299 6758 1 18 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.859 0.917 18299 6759 1 18 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.199 0.023 18299 6760 1 18 . 1 1 56 56 LYS H H 56 8.333 8.333 8.575 -0.242 18299 6761 1 18 . 1 1 57 57 LYS N N 57 120.188 120.188 119.870 0.318 18299 6762 1 18 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.074 0.088 18299 6763 1 18 . 1 1 57 57 LYS C C 57 178.128 178.128 178.062 0.066 18299 6764 1 18 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.017 0.065 18299 6765 1 18 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.050 0.403 18299 6766 1 18 . 1 1 57 57 LYS H H 57 7.646 7.646 7.778 -0.132 18299 6767 1 18 . 1 1 58 58 THR N N 58 106.563 106.563 110.048 -3.485 18299 6768 1 18 . 1 1 58 58 THR HA H 58 4.277 4.277 4.331 -0.054 18299 6769 1 18 . 1 1 58 58 THR C C 58 175.933 175.933 175.573 0.360 18299 6770 1 18 . 1 1 58 58 THR CA C 58 63.742 63.742 62.083 1.659 18299 6771 1 18 . 1 1 58 58 THR CB C 58 71.108 71.108 69.450 1.658 18299 6772 1 18 . 1 1 58 58 THR H H 58 7.483 7.483 7.839 -0.356 18299 6773 1 18 . 1 1 59 59 GLY N N 59 108.569 108.569 110.482 -1.913 18299 6774 1 18 . 1 1 59 59 GLY C C 59 173.171 173.171 174.189 -1.018 18299 6775 1 18 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.347 -0.356 18299 6776 1 18 . 1 1 59 59 GLY H H 59 7.774 7.774 7.999 -0.225 18299 6777 1 18 . 1 1 60 60 ALA N N 60 122.420 122.420 122.847 -0.427 18299 6778 1 18 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.350 0.156 18299 6779 1 18 . 1 1 60 60 ALA C C 60 177.155 177.155 177.444 -0.289 18299 6780 1 18 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.707 -0.652 18299 6781 1 18 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.121 0.187 18299 6782 1 18 . 1 1 60 60 ALA H H 60 7.524 7.524 7.333 0.191 18299 6783 1 18 . 1 1 61 61 THR N N 61 117.690 117.690 115.408 2.282 18299 6784 1 18 . 1 1 61 61 THR HA H 61 4.321 4.321 4.129 0.192 18299 6785 1 18 . 1 1 61 61 THR C C 61 174.635 174.635 173.857 0.778 18299 6786 1 18 . 1 1 61 61 THR CA C 61 63.922 63.922 63.001 0.921 18299 6787 1 18 . 1 1 61 61 THR CB C 61 68.904 68.904 69.245 -0.341 18299 6788 1 18 . 1 1 61 61 THR H H 61 8.491 8.491 8.482 0.009 18299 6789 1 18 . 1 1 62 62 VAL N N 62 129.030 129.030 124.936 4.094 18299 6790 1 18 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.428 0.886 18299 6791 1 18 . 1 1 62 62 VAL C C 62 174.947 174.947 174.971 -0.024 18299 6792 1 18 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.992 -0.677 18299 6793 1 18 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.558 1.106 18299 6794 1 18 . 1 1 62 62 VAL H H 62 8.709 8.709 8.203 0.506 18299 6795 1 18 . 1 1 63 63 SER N N 63 119.588 119.588 124.624 -5.036 18299 6796 1 18 . 1 1 63 63 SER HA H 63 4.865 4.865 4.670 0.195 18299 6797 1 18 . 1 1 63 63 SER C C 63 173.019 173.019 172.302 0.717 18299 6798 1 18 . 1 1 63 63 SER CA C 63 57.347 57.347 56.608 0.739 18299 6799 1 18 . 1 1 63 63 SER CB C 63 65.605 65.605 64.852 0.754 18299 6800 1 18 . 1 1 63 63 SER H H 63 8.988 8.988 8.762 0.226 18299 6801 1 18 . 1 1 64 64 TYR N N 64 125.400 125.400 126.827 -1.427 18299 6802 1 18 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.320 1.259 18299 6803 1 18 . 1 1 64 64 TYR C C 64 175.523 175.523 174.275 1.248 18299 6804 1 18 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.493 0.961 18299 6805 1 18 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.008 1.014 18299 6806 1 18 . 1 1 64 64 TYR H H 64 9.391 9.391 8.486 0.905 18299 6807 1 18 . 1 1 65 65 LEU N N 65 128.500 128.500 128.375 0.125 18299 6808 1 18 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.093 0.226 18299 6809 1 18 . 1 1 65 65 LEU C C 65 176.473 176.473 177.547 -1.074 18299 6810 1 18 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.871 -1.194 18299 6811 1 18 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.812 -0.754 18299 6812 1 18 . 1 1 65 65 LEU H H 65 8.304 8.304 8.198 0.106 18299 6813 1 18 . 1 1 66 66 GLY N N 66 105.737 105.737 104.216 1.521 18299 6814 1 18 . 1 1 66 66 GLY C C 66 171.330 171.330 172.140 -0.810 18299 6815 1 18 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.742 0.294 18299 6816 1 18 . 1 1 66 66 GLY H H 66 5.977 5.977 7.748 -1.771 18299 6817 1 18 . 1 1 67 67 LEU N N 67 120.133 120.133 123.050 -2.917 18299 6818 1 18 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.649 0.133 18299 6819 1 18 . 1 1 67 67 LEU C C 67 177.339 177.339 177.269 0.070 18299 6820 1 18 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.083 0.293 18299 6821 1 18 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.703 0.178 18299 6822 1 18 . 1 1 67 67 LEU H H 67 7.947 7.947 8.562 -0.615 18299 6823 1 19 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.445 -0.192 18299 6824 1 19 . 1 1 2 2 PRO C C 2 174.299 174.299 176.191 -1.892 18299 6825 1 19 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.557 0.778 18299 6826 1 19 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.304 0.329 18299 6827 1 19 . 1 1 3 3 LYS N N 3 121.020 121.020 120.932 0.088 18299 6828 1 19 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.491 0.443 18299 6829 1 19 . 1 1 3 3 LYS C C 3 175.055 175.055 175.222 -0.167 18299 6830 1 19 . 1 1 3 3 LYS CA C 3 54.894 54.894 56.068 -1.174 18299 6831 1 19 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.500 -0.118 18299 6832 1 19 . 1 1 3 3 LYS H H 3 8.038 8.038 8.509 -0.471 18299 6833 1 19 . 1 1 4 4 HIS N N 4 122.815 122.815 122.077 0.738 18299 6834 1 19 . 1 1 4 4 HIS HA H 4 4.959 4.959 4.867 0.092 18299 6835 1 19 . 1 1 4 4 HIS C C 4 174.771 174.771 173.466 1.305 18299 6836 1 19 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.220 1.822 18299 6837 1 19 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.875 2.369 18299 6838 1 19 . 1 1 4 4 HIS H H 4 8.908 8.908 8.724 0.184 18299 6839 1 19 . 1 1 5 5 GLU N N 5 122.404 122.404 125.958 -3.554 18299 6840 1 19 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.732 0.561 18299 6841 1 19 . 1 1 5 5 GLU C C 5 174.389 174.389 174.623 -0.234 18299 6842 1 19 . 1 1 5 5 GLU CA C 5 55.848 55.848 54.891 0.957 18299 6843 1 19 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.101 0.641 18299 6844 1 19 . 1 1 5 5 GLU H H 5 8.951 8.951 8.643 0.308 18299 6845 1 19 . 1 1 6 6 PHE N N 6 119.234 119.234 123.779 -4.545 18299 6846 1 19 . 1 1 6 6 PHE HA H 6 5.185 5.185 4.876 0.309 18299 6847 1 19 . 1 1 6 6 PHE C C 6 175.130 175.130 173.967 1.163 18299 6848 1 19 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.335 0.411 18299 6849 1 19 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.456 -0.774 18299 6850 1 19 . 1 1 6 6 PHE H H 6 9.075 9.075 8.348 0.727 18299 6851 1 19 . 1 1 7 7 SER N N 7 118.028 118.028 118.550 -0.522 18299 6852 1 19 . 1 1 7 7 SER HA H 7 5.322 5.322 4.725 0.597 18299 6853 1 19 . 1 1 7 7 SER C C 7 174.651 174.651 172.423 2.228 18299 6854 1 19 . 1 1 7 7 SER CA C 7 56.636 56.636 57.074 -0.438 18299 6855 1 19 . 1 1 7 7 SER CB C 7 63.983 63.983 64.001 -0.018 18299 6856 1 19 . 1 1 7 7 SER H H 7 9.346 9.346 8.611 0.735 18299 6857 1 19 . 1 1 8 8 VAL N N 8 125.476 125.476 127.058 -1.582 18299 6858 1 19 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.907 -0.224 18299 6859 1 19 . 1 1 8 8 VAL C C 8 174.360 174.360 174.315 0.045 18299 6860 1 19 . 1 1 8 8 VAL CA C 8 61.020 61.020 59.536 1.484 18299 6861 1 19 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.243 -0.022 18299 6862 1 19 . 1 1 8 8 VAL H H 8 8.129 8.129 8.382 -0.253 18299 6863 1 19 . 1 1 9 9 ASP N N 9 124.989 124.989 129.232 -4.243 18299 6864 1 19 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.735 -0.039 18299 6865 1 19 . 1 1 9 9 ASP C C 9 175.278 175.278 175.678 -0.400 18299 6866 1 19 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.506 0.505 18299 6867 1 19 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.592 -1.071 18299 6868 1 19 . 1 1 9 9 ASP H H 9 8.285 8.285 8.077 0.208 18299 6869 1 19 . 1 1 10 10 MET N N 10 125.927 125.927 125.147 0.780 18299 6870 1 19 . 1 1 10 10 MET HA H 10 4.712 4.712 4.396 0.316 18299 6871 1 19 . 1 1 10 10 MET C C 10 175.748 175.748 175.318 0.430 18299 6872 1 19 . 1 1 10 10 MET CA C 10 54.825 54.825 56.175 -1.350 18299 6873 1 19 . 1 1 10 10 MET CB C 10 34.030 34.030 32.671 1.359 18299 6874 1 19 . 1 1 10 10 MET H H 10 8.096 8.096 8.690 -0.594 18299 6875 1 19 . 1 1 11 11 THR N N 11 116.339 116.339 120.752 -4.413 18299 6876 1 19 . 1 1 11 11 THR HA H 11 4.326 4.326 4.525 -0.199 18299 6877 1 19 . 1 1 11 11 THR C C 11 174.832 174.832 175.099 -0.267 18299 6878 1 19 . 1 1 11 11 THR CA C 11 63.908 63.908 63.266 0.642 18299 6879 1 19 . 1 1 11 11 THR CB C 11 69.529 69.529 69.536 -0.007 18299 6880 1 19 . 1 1 11 11 THR H H 11 8.886 8.886 8.429 0.457 18299 6881 1 19 . 1 1 12 12 CYS N N 12 117.534 117.534 121.879 -4.345 18299 6882 1 19 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.744 0.051 18299 6883 1 19 . 1 1 12 12 CYS C C 12 174.892 174.892 176.622 -1.730 18299 6884 1 19 . 1 1 12 12 CYS CA C 12 57.615 57.615 57.570 0.045 18299 6885 1 19 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.689 1.792 18299 6886 1 19 . 1 1 12 12 CYS H H 12 8.183 8.183 8.372 -0.189 18299 6887 1 19 . 1 1 13 13 GLY N N 13 110.516 110.516 110.989 -0.473 18299 6888 1 19 . 1 1 13 13 GLY C C 13 175.328 175.328 176.000 -0.672 18299 6889 1 19 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.893 -1.312 18299 6890 1 19 . 1 1 13 13 GLY H H 13 8.737 8.737 8.261 0.476 18299 6891 1 19 . 1 1 14 14 GLY N N 14 110.521 110.521 108.690 1.831 18299 6892 1 19 . 1 1 14 14 GLY C C 14 175.741 175.741 175.700 0.041 18299 6893 1 19 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.696 -0.690 18299 6894 1 19 . 1 1 14 14 GLY H H 14 8.677 8.677 8.375 0.302 18299 6895 1 19 . 1 1 15 15 CYS N N 15 121.304 121.304 120.430 0.874 18299 6896 1 19 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.382 -0.019 18299 6897 1 19 . 1 1 15 15 CYS C C 15 176.557 176.557 176.421 0.136 18299 6898 1 19 . 1 1 15 15 CYS CA C 15 61.356 61.356 62.070 -0.714 18299 6899 1 19 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.914 0.608 18299 6900 1 19 . 1 1 15 15 CYS H H 15 7.853 7.853 8.315 -0.462 18299 6901 1 19 . 1 1 16 16 ALA N N 16 121.907 121.907 122.399 -0.492 18299 6902 1 19 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.114 -0.092 18299 6903 1 19 . 1 1 16 16 ALA C C 16 180.089 180.089 179.013 1.076 18299 6904 1 19 . 1 1 16 16 ALA CA C 16 55.794 55.794 54.873 0.920 18299 6905 1 19 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.048 0.234 18299 6906 1 19 . 1 1 16 16 ALA H H 16 8.196 8.196 8.647 -0.451 18299 6907 1 19 . 1 1 17 17 GLU N N 17 118.976 118.976 118.784 0.192 18299 6908 1 19 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.039 0.026 18299 6909 1 19 . 1 1 17 17 GLU C C 17 178.541 178.541 178.353 0.188 18299 6910 1 19 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.374 0.306 18299 6911 1 19 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.348 -0.167 18299 6912 1 19 . 1 1 17 17 GLU H H 17 8.518 8.518 7.917 0.601 18299 6913 1 19 . 1 1 18 18 ALA N N 18 122.909 122.909 121.459 1.450 18299 6914 1 19 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.153 -0.064 18299 6915 1 19 . 1 1 18 18 ALA C C 18 179.665 179.665 179.848 -0.183 18299 6916 1 19 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.591 0.493 18299 6917 1 19 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.161 -0.016 18299 6918 1 19 . 1 1 18 18 ALA H H 18 7.863 7.863 7.377 0.486 18299 6919 1 19 . 1 1 19 19 VAL N N 19 118.050 118.050 118.486 -0.436 18299 6920 1 19 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.567 -0.270 18299 6921 1 19 . 1 1 19 19 VAL C C 19 176.602 176.602 177.748 -1.146 18299 6922 1 19 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.997 0.304 18299 6923 1 19 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.674 -0.203 18299 6924 1 19 . 1 1 19 19 VAL H H 19 7.989 7.989 7.836 0.153 18299 6925 1 19 . 1 1 20 20 SER N N 20 113.425 113.425 114.416 -0.991 18299 6926 1 19 . 1 1 20 20 SER HA H 20 4.086 4.086 4.215 -0.129 18299 6927 1 19 . 1 1 20 20 SER C C 20 175.600 175.600 176.959 -1.359 18299 6928 1 19 . 1 1 20 20 SER CA C 20 62.064 62.064 61.370 0.694 18299 6929 1 19 . 1 1 20 20 SER CB C 20 62.443 62.443 63.092 -0.649 18299 6930 1 19 . 1 1 20 20 SER H H 20 7.808 7.808 7.720 0.088 18299 6931 1 19 . 1 1 21 21 ARG N N 21 119.858 119.858 121.129 -1.271 18299 6932 1 19 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.977 0.027 18299 6933 1 19 . 1 1 21 21 ARG C C 21 180.231 180.231 178.402 1.829 18299 6934 1 19 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.142 0.928 18299 6935 1 19 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.055 0.421 18299 6936 1 19 . 1 1 21 21 ARG H H 21 8.086 8.086 7.441 0.645 18299 6937 1 19 . 1 1 22 22 VAL N N 22 112.224 112.224 119.549 -7.325 18299 6938 1 19 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.715 0.307 18299 6939 1 19 . 1 1 22 22 VAL C C 22 179.211 179.211 177.081 2.130 18299 6940 1 19 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.556 -0.610 18299 6941 1 19 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.129 -0.466 18299 6942 1 19 . 1 1 22 22 VAL H H 22 7.943 7.943 7.405 0.538 18299 6943 1 19 . 1 1 23 23 LEU N N 23 122.146 122.146 121.460 0.686 18299 6944 1 19 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.870 0.116 18299 6945 1 19 . 1 1 23 23 LEU C C 23 178.347 178.347 178.342 0.005 18299 6946 1 19 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.656 -0.407 18299 6947 1 19 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.534 -0.684 18299 6948 1 19 . 1 1 23 23 LEU H H 23 7.692 7.692 7.547 0.145 18299 6949 1 19 . 1 1 24 24 ASN N N 24 118.578 118.578 116.426 2.152 18299 6950 1 19 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.341 0.188 18299 6951 1 19 . 1 1 24 24 ASN C C 24 178.060 178.060 176.192 1.868 18299 6952 1 19 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.271 -0.665 18299 6953 1 19 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.575 -1.383 18299 6954 1 19 . 1 1 24 24 ASN H H 24 8.683 8.683 7.849 0.834 18299 6955 1 19 . 1 1 25 25 LYS N N 25 118.395 118.395 118.803 -0.408 18299 6956 1 19 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.070 -0.006 18299 6957 1 19 . 1 1 25 25 LYS C C 25 177.770 177.770 178.833 -1.063 18299 6958 1 19 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.378 -0.133 18299 6959 1 19 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.336 -0.150 18299 6960 1 19 . 1 1 25 25 LYS H H 25 7.469 7.469 7.476 -0.007 18299 6961 1 19 . 1 1 26 26 LEU N N 26 121.105 121.105 118.866 2.239 18299 6962 1 19 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.227 -0.136 18299 6963 1 19 . 1 1 26 26 LEU C C 26 178.609 178.609 178.106 0.503 18299 6964 1 19 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.652 1.090 18299 6965 1 19 . 1 1 26 26 LEU CB C 26 42.191 42.191 42.105 0.086 18299 6966 1 19 . 1 1 26 26 LEU H H 26 7.209 7.209 7.483 -0.274 18299 6967 1 19 . 1 1 27 27 GLY N N 27 104.036 104.036 104.127 -0.091 18299 6968 1 19 . 1 1 27 27 GLY C C 27 173.508 173.508 175.016 -1.508 18299 6969 1 19 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.041 -0.808 18299 6970 1 19 . 1 1 27 27 GLY H H 27 7.691 7.691 8.405 -0.714 18299 6971 1 19 . 1 1 28 28 GLY N N 28 106.538 106.538 109.141 -2.603 18299 6972 1 19 . 1 1 28 28 GLY C C 28 175.737 175.737 173.697 2.040 18299 6973 1 19 . 1 1 28 28 GLY CA C 28 47.618 47.618 46.018 1.600 18299 6974 1 19 . 1 1 28 28 GLY H H 28 8.603 8.603 7.668 0.935 18299 6975 1 19 . 1 1 29 29 VAL N N 29 112.116 112.116 114.889 -2.773 18299 6976 1 19 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.440 0.509 18299 6977 1 19 . 1 1 29 29 VAL C C 29 174.487 174.487 175.433 -0.946 18299 6978 1 19 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.443 0.295 18299 6979 1 19 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.302 2.212 18299 6980 1 19 . 1 1 29 29 VAL H H 29 7.974 7.974 7.367 0.607 18299 6981 1 19 . 1 1 30 30 LYS N N 30 124.568 124.568 121.530 3.038 18299 6982 1 19 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.253 0.395 18299 6983 1 19 . 1 1 30 30 LYS C C 30 174.964 174.964 175.566 -0.602 18299 6984 1 19 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.885 -1.882 18299 6985 1 19 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.890 1.749 18299 6986 1 19 . 1 1 30 30 LYS H H 30 8.370 8.370 8.657 -0.287 18299 6987 1 19 . 1 1 31 31 TYR N N 31 121.504 121.504 120.583 0.921 18299 6988 1 19 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.092 0.892 18299 6989 1 19 . 1 1 31 31 TYR C C 31 172.758 172.758 174.429 -1.671 18299 6990 1 19 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.682 -0.558 18299 6991 1 19 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.891 0.890 18299 6992 1 19 . 1 1 31 31 TYR H H 31 8.531 8.531 8.222 0.309 18299 6993 1 19 . 1 1 32 32 ASP N N 32 119.262 119.262 122.309 -3.047 18299 6994 1 19 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.755 0.237 18299 6995 1 19 . 1 1 32 32 ASP C C 32 174.839 174.839 174.370 0.469 18299 6996 1 19 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.822 -0.539 18299 6997 1 19 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.584 0.267 18299 6998 1 19 . 1 1 32 32 ASP H H 32 8.750 8.750 8.331 0.419 18299 6999 1 19 . 1 1 33 33 ILE N N 33 124.951 124.951 121.826 3.125 18299 7000 1 19 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.423 -0.064 18299 7001 1 19 . 1 1 33 33 ILE C C 33 173.855 173.855 174.819 -0.964 18299 7002 1 19 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.184 1.748 18299 7003 1 19 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.642 -0.008 18299 7004 1 19 . 1 1 33 33 ILE H H 33 9.001 9.001 8.402 0.599 18299 7005 1 19 . 1 1 34 34 ASP N N 34 130.202 130.202 128.375 1.827 18299 7006 1 19 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.043 -0.068 18299 7007 1 19 . 1 1 34 34 ASP C C 34 175.761 175.761 175.638 0.123 18299 7008 1 19 . 1 1 34 34 ASP CA C 34 51.809 51.809 52.619 -0.810 18299 7009 1 19 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.454 -0.213 18299 7010 1 19 . 1 1 34 34 ASP H H 34 9.033 9.033 8.447 0.586 18299 7011 1 19 . 1 1 35 35 LEU N N 35 123.830 123.830 124.154 -0.324 18299 7012 1 19 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.160 0.150 18299 7013 1 19 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.785 0.077 18299 7014 1 19 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.499 -1.147 18299 7015 1 19 . 1 1 35 35 LEU H H 35 8.888 8.888 8.719 0.169 18299 7016 1 19 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.237 0.059 18299 7017 1 19 . 1 1 36 36 PRO C C 36 177.959 177.959 177.359 0.600 18299 7018 1 19 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.433 0.953 18299 7019 1 19 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.058 0.435 18299 7020 1 19 . 1 1 37 37 ASN N N 37 110.308 110.308 112.280 -1.972 18299 7021 1 19 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.764 0.135 18299 7022 1 19 . 1 1 37 37 ASN C C 37 172.880 172.880 174.251 -1.371 18299 7023 1 19 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.811 -0.203 18299 7024 1 19 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.834 -1.289 18299 7025 1 19 . 1 1 37 37 ASN H H 37 7.255 7.255 7.502 -0.247 18299 7026 1 19 . 1 1 38 38 LYS N N 38 119.648 119.648 117.805 1.843 18299 7027 1 19 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.924 -0.092 18299 7028 1 19 . 1 1 38 38 LYS C C 38 175.375 175.375 174.954 0.421 18299 7029 1 19 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.335 0.893 18299 7030 1 19 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.879 -0.427 18299 7031 1 19 . 1 1 38 38 LYS H H 38 8.328 8.328 7.933 0.395 18299 7032 1 19 . 1 1 39 39 LYS N N 39 116.950 116.950 116.304 0.646 18299 7033 1 19 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.653 1.001 18299 7034 1 19 . 1 1 39 39 LYS C C 39 174.797 174.797 174.163 0.634 18299 7035 1 19 . 1 1 39 39 LYS CA C 39 54.904 54.904 55.164 -0.260 18299 7036 1 19 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.302 0.317 18299 7037 1 19 . 1 1 39 39 LYS H H 39 8.203 8.203 7.481 0.722 18299 7038 1 19 . 1 1 40 40 VAL N N 40 121.279 121.279 120.943 0.336 18299 7039 1 19 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.935 0.039 18299 7040 1 19 . 1 1 40 40 VAL C C 40 173.992 173.992 174.687 -0.695 18299 7041 1 19 . 1 1 40 40 VAL CA C 40 60.691 60.691 59.902 0.789 18299 7042 1 19 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.479 1.338 18299 7043 1 19 . 1 1 40 40 VAL H H 40 9.115 9.115 8.046 1.069 18299 7044 1 19 . 1 1 41 41 CYS N N 41 126.779 126.779 125.832 0.947 18299 7045 1 19 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.021 0.614 18299 7046 1 19 . 1 1 41 41 CYS C C 41 174.839 174.839 173.637 1.202 18299 7047 1 19 . 1 1 41 41 CYS CA C 41 56.971 56.971 56.015 0.956 18299 7048 1 19 . 1 1 41 41 CYS CB C 41 29.139 29.139 27.356 1.783 18299 7049 1 19 . 1 1 41 41 CYS H H 41 8.767 8.767 8.602 0.165 18299 7050 1 19 . 1 1 42 42 ILE N N 42 125.941 125.941 123.447 2.494 18299 7051 1 19 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.799 0.180 18299 7052 1 19 . 1 1 42 42 ILE C C 42 174.113 174.113 173.623 0.490 18299 7053 1 19 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.210 2.019 18299 7054 1 19 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.779 0.660 18299 7055 1 19 . 1 1 42 42 ILE H H 42 9.697 9.697 9.002 0.695 18299 7056 1 19 . 1 1 43 43 GLU N N 43 130.488 130.488 129.624 0.864 18299 7057 1 19 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.711 0.745 18299 7058 1 19 . 1 1 43 43 GLU C C 43 176.185 176.185 174.414 1.771 18299 7059 1 19 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.521 -0.636 18299 7060 1 19 . 1 1 43 43 GLU CB C 43 32.026 32.026 32.258 -0.232 18299 7061 1 19 . 1 1 43 43 GLU H H 43 9.510 9.510 8.449 1.061 18299 7062 1 19 . 1 1 44 44 SER N N 44 119.391 119.391 120.375 -0.984 18299 7063 1 19 . 1 1 44 44 SER HA H 44 4.868 4.868 4.740 0.128 18299 7064 1 19 . 1 1 44 44 SER C C 44 173.026 173.026 174.760 -1.734 18299 7065 1 19 . 1 1 44 44 SER CA C 44 59.104 59.104 56.434 2.670 18299 7066 1 19 . 1 1 44 44 SER CB C 44 66.159 66.159 65.172 0.987 18299 7067 1 19 . 1 1 44 44 SER H H 44 8.681 8.681 8.507 0.174 18299 7068 1 19 . 1 1 45 45 GLU N N 45 121.420 121.420 121.972 -0.552 18299 7069 1 19 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.265 0.289 18299 7070 1 19 . 1 1 45 45 GLU C C 45 177.473 177.473 177.335 0.138 18299 7071 1 19 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.619 -2.412 18299 7072 1 19 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.765 0.086 18299 7073 1 19 . 1 1 45 45 GLU H H 45 9.026 9.026 8.784 0.242 18299 7074 1 19 . 1 1 46 46 HIS N N 46 119.653 119.653 116.679 2.974 18299 7075 1 19 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.641 0.002 18299 7076 1 19 . 1 1 46 46 HIS C C 46 175.514 175.514 174.643 0.871 18299 7077 1 19 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.233 0.682 18299 7078 1 19 . 1 1 46 46 HIS CB C 46 31.725 31.725 31.423 0.302 18299 7079 1 19 . 1 1 46 46 HIS H H 46 8.423 8.423 7.713 0.710 18299 7080 1 19 . 1 1 47 47 SER N N 47 116.562 116.562 113.328 3.234 18299 7081 1 19 . 1 1 47 47 SER HA H 47 4.349 4.349 4.311 0.038 18299 7082 1 19 . 1 1 47 47 SER C C 47 174.638 174.638 174.181 0.457 18299 7083 1 19 . 1 1 47 47 SER CA C 47 57.438 57.438 59.448 -2.010 18299 7084 1 19 . 1 1 47 47 SER CB C 47 65.022 65.022 63.409 1.613 18299 7085 1 19 . 1 1 47 47 SER H H 47 9.093 9.093 8.488 0.605 18299 7086 1 19 . 1 1 48 48 MET N N 48 121.402 121.402 120.744 0.658 18299 7087 1 19 . 1 1 48 48 MET HA H 48 3.412 3.412 4.267 -0.855 18299 7088 1 19 . 1 1 48 48 MET C C 48 177.797 177.797 174.369 3.428 18299 7089 1 19 . 1 1 48 48 MET CA C 48 60.298 60.298 56.894 3.405 18299 7090 1 19 . 1 1 48 48 MET CB C 48 30.776 30.776 32.103 -1.327 18299 7091 1 19 . 1 1 48 48 MET H H 48 8.920 8.920 8.931 -0.011 18299 7092 1 19 . 1 1 49 49 ASP N N 49 116.251 116.251 116.695 -0.444 18299 7093 1 19 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.521 -0.319 18299 7094 1 19 . 1 1 49 49 ASP C C 49 179.291 179.291 177.134 2.157 18299 7095 1 19 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.432 2.123 18299 7096 1 19 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.707 0.145 18299 7097 1 19 . 1 1 49 49 ASP H H 49 8.345 8.345 8.079 0.266 18299 7098 1 19 . 1 1 50 50 THR N N 50 120.023 120.023 115.736 4.287 18299 7099 1 19 . 1 1 50 50 THR HA H 50 4.305 4.305 4.227 0.078 18299 7100 1 19 . 1 1 50 50 THR C C 50 177.416 177.416 176.346 1.070 18299 7101 1 19 . 1 1 50 50 THR CA C 50 66.392 66.392 64.013 2.379 18299 7102 1 19 . 1 1 50 50 THR CB C 50 68.452 68.452 68.535 -0.083 18299 7103 1 19 . 1 1 50 50 THR H H 50 8.019 8.019 7.952 0.067 18299 7104 1 19 . 1 1 51 51 LEU N N 51 124.562 124.562 120.586 3.976 18299 7105 1 19 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.057 -0.549 18299 7106 1 19 . 1 1 51 51 LEU C C 51 177.386 177.386 179.291 -1.905 18299 7107 1 19 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.654 0.809 18299 7108 1 19 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.938 2.430 18299 7109 1 19 . 1 1 51 51 LEU H H 51 8.043 8.043 7.758 0.285 18299 7110 1 19 . 1 1 52 52 LEU N N 52 120.718 120.718 117.276 3.442 18299 7111 1 19 . 1 1 52 52 LEU HA H 52 3.546 3.546 4.079 -0.533 18299 7112 1 19 . 1 1 52 52 LEU C C 52 178.065 178.065 178.800 -0.735 18299 7113 1 19 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.991 0.480 18299 7114 1 19 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.548 2.153 18299 7115 1 19 . 1 1 52 52 LEU H H 52 8.993 8.993 7.792 1.201 18299 7116 1 19 . 1 1 53 53 ALA N N 53 118.641 118.641 120.614 -1.973 18299 7117 1 19 . 1 1 53 53 ALA HA H 53 3.913 3.913 4.023 -0.110 18299 7118 1 19 . 1 1 53 53 ALA C C 53 180.677 180.677 179.700 0.977 18299 7119 1 19 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.124 -0.089 18299 7120 1 19 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.303 -0.134 18299 7121 1 19 . 1 1 53 53 ALA H H 53 7.859 7.859 7.858 0.001 18299 7122 1 19 . 1 1 54 54 THR N N 54 114.407 114.407 113.729 0.678 18299 7123 1 19 . 1 1 54 54 THR HA H 54 3.662 3.662 4.057 -0.395 18299 7124 1 19 . 1 1 54 54 THR C C 54 175.694 175.694 176.464 -0.770 18299 7125 1 19 . 1 1 54 54 THR CA C 54 67.449 67.449 65.483 1.966 18299 7126 1 19 . 1 1 54 54 THR CB C 54 68.226 68.226 68.913 -0.687 18299 7127 1 19 . 1 1 54 54 THR H H 54 7.688 7.688 7.693 -0.005 18299 7128 1 19 . 1 1 55 55 LEU N N 55 119.491 119.491 121.868 -2.377 18299 7129 1 19 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.153 -0.351 18299 7130 1 19 . 1 1 55 55 LEU C C 55 179.660 179.660 179.440 0.220 18299 7131 1 19 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.510 0.341 18299 7132 1 19 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.653 1.354 18299 7133 1 19 . 1 1 55 55 LEU H H 55 8.104 8.104 8.670 -0.566 18299 7134 1 19 . 1 1 56 56 LYS N N 56 119.317 119.317 118.415 0.902 18299 7135 1 19 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.086 -0.117 18299 7136 1 19 . 1 1 56 56 LYS C C 56 179.227 179.227 178.335 0.892 18299 7137 1 19 . 1 1 56 56 LYS CA C 56 59.776 59.776 57.919 1.857 18299 7138 1 19 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.919 0.303 18299 7139 1 19 . 1 1 56 56 LYS H H 56 8.333 8.333 8.024 0.309 18299 7140 1 19 . 1 1 57 57 LYS N N 57 120.188 120.188 118.012 2.176 18299 7141 1 19 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.031 0.131 18299 7142 1 19 . 1 1 57 57 LYS C C 57 178.128 178.128 178.221 -0.093 18299 7143 1 19 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.033 0.050 18299 7144 1 19 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.749 0.703 18299 7145 1 19 . 1 1 57 57 LYS H H 57 7.646 7.646 7.434 0.212 18299 7146 1 19 . 1 1 58 58 THR N N 58 106.563 106.563 109.187 -2.624 18299 7147 1 19 . 1 1 58 58 THR HA H 58 4.277 4.277 4.365 -0.088 18299 7148 1 19 . 1 1 58 58 THR C C 58 175.933 175.933 175.557 0.376 18299 7149 1 19 . 1 1 58 58 THR CA C 58 63.742 63.742 62.628 1.114 18299 7150 1 19 . 1 1 58 58 THR CB C 58 71.108 71.108 69.683 1.425 18299 7151 1 19 . 1 1 58 58 THR H H 58 7.483 7.483 7.688 -0.205 18299 7152 1 19 . 1 1 59 59 GLY N N 59 108.569 108.569 109.526 -0.957 18299 7153 1 19 . 1 1 59 59 GLY C C 59 173.171 173.171 173.669 -0.498 18299 7154 1 19 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.878 0.113 18299 7155 1 19 . 1 1 59 59 GLY H H 59 7.774 7.774 7.822 -0.048 18299 7156 1 19 . 1 1 60 60 ALA N N 60 122.420 122.420 122.651 -0.231 18299 7157 1 19 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.489 0.017 18299 7158 1 19 . 1 1 60 60 ALA C C 60 177.155 177.155 177.440 -0.285 18299 7159 1 19 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.068 -0.013 18299 7160 1 19 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.091 0.217 18299 7161 1 19 . 1 1 60 60 ALA H H 60 7.524 7.524 7.441 0.083 18299 7162 1 19 . 1 1 61 61 THR N N 61 117.690 117.690 117.065 0.625 18299 7163 1 19 . 1 1 61 61 THR HA H 61 4.321 4.321 4.196 0.125 18299 7164 1 19 . 1 1 61 61 THR C C 61 174.635 174.635 173.376 1.259 18299 7165 1 19 . 1 1 61 61 THR CA C 61 63.922 63.922 63.470 0.452 18299 7166 1 19 . 1 1 61 61 THR CB C 61 68.904 68.904 69.457 -0.553 18299 7167 1 19 . 1 1 61 61 THR H H 61 8.491 8.491 8.312 0.179 18299 7168 1 19 . 1 1 62 62 VAL N N 62 129.030 129.030 124.617 4.413 18299 7169 1 19 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.360 0.954 18299 7170 1 19 . 1 1 62 62 VAL C C 62 174.947 174.947 175.562 -0.615 18299 7171 1 19 . 1 1 62 62 VAL CA C 62 60.315 60.315 61.224 -0.909 18299 7172 1 19 . 1 1 62 62 VAL CB C 62 35.664 35.664 33.905 1.759 18299 7173 1 19 . 1 1 62 62 VAL H H 62 8.709 8.709 8.281 0.428 18299 7174 1 19 . 1 1 63 63 SER N N 63 119.588 119.588 122.774 -3.186 18299 7175 1 19 . 1 1 63 63 SER HA H 63 4.865 4.865 4.650 0.215 18299 7176 1 19 . 1 1 63 63 SER C C 63 173.019 173.019 172.464 0.555 18299 7177 1 19 . 1 1 63 63 SER CA C 63 57.347 57.347 56.398 0.949 18299 7178 1 19 . 1 1 63 63 SER CB C 63 65.605 65.605 64.912 0.693 18299 7179 1 19 . 1 1 63 63 SER H H 63 8.988 8.988 8.491 0.497 18299 7180 1 19 . 1 1 64 64 TYR N N 64 125.400 125.400 128.053 -2.653 18299 7181 1 19 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.540 1.039 18299 7182 1 19 . 1 1 64 64 TYR C C 64 175.523 175.523 174.410 1.113 18299 7183 1 19 . 1 1 64 64 TYR CA C 64 57.454 57.454 56.712 0.742 18299 7184 1 19 . 1 1 64 64 TYR CB C 64 39.022 39.022 37.876 1.146 18299 7185 1 19 . 1 1 64 64 TYR H H 64 9.391 9.391 8.643 0.748 18299 7186 1 19 . 1 1 65 65 LEU N N 65 128.500 128.500 129.418 -0.918 18299 7187 1 19 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.015 0.304 18299 7188 1 19 . 1 1 65 65 LEU C C 65 176.473 176.473 177.694 -1.221 18299 7189 1 19 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.762 -1.085 18299 7190 1 19 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.605 -0.547 18299 7191 1 19 . 1 1 65 65 LEU H H 65 8.304 8.304 8.443 -0.139 18299 7192 1 19 . 1 1 66 66 GLY N N 66 105.737 105.737 104.928 0.809 18299 7193 1 19 . 1 1 66 66 GLY C C 66 171.330 171.330 172.685 -1.355 18299 7194 1 19 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.538 0.498 18299 7195 1 19 . 1 1 66 66 GLY H H 66 5.977 5.977 7.868 -1.891 18299 7196 1 19 . 1 1 67 67 LEU N N 67 120.133 120.133 121.438 -1.305 18299 7197 1 19 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.714 0.068 18299 7198 1 19 . 1 1 67 67 LEU C C 67 177.339 177.339 177.337 0.002 18299 7199 1 19 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.621 -0.245 18299 7200 1 19 . 1 1 67 67 LEU CB C 67 43.881 43.881 43.110 0.771 18299 7201 1 19 . 1 1 67 67 LEU H H 67 7.947 7.947 8.638 -0.691 18299 7202 1 20 . 1 1 2 2 PRO HA H 2 4.253 4.253 4.390 -0.137 18299 7203 1 20 . 1 1 2 2 PRO C C 2 174.299 174.299 175.509 -1.210 18299 7204 1 20 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.665 0.670 18299 7205 1 20 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.078 0.555 18299 7206 1 20 . 1 1 3 3 LYS N N 3 121.020 121.020 121.797 -0.777 18299 7207 1 20 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.094 0.840 18299 7208 1 20 . 1 1 3 3 LYS C C 3 175.055 175.055 175.652 -0.597 18299 7209 1 20 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.781 -0.887 18299 7210 1 20 . 1 1 3 3 LYS CB C 3 34.382 34.382 33.830 0.552 18299 7211 1 20 . 1 1 3 3 LYS H H 3 8.038 8.038 8.132 -0.094 18299 7212 1 20 . 1 1 4 4 HIS N N 4 122.815 122.815 121.382 1.433 18299 7213 1 20 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.388 -0.429 18299 7214 1 20 . 1 1 4 4 HIS C C 4 174.771 174.771 174.583 0.188 18299 7215 1 20 . 1 1 4 4 HIS CA C 4 56.042 56.042 53.616 2.426 18299 7216 1 20 . 1 1 4 4 HIS CB C 4 35.244 35.244 31.845 3.399 18299 7217 1 20 . 1 1 4 4 HIS H H 4 8.908 8.908 8.422 0.486 18299 7218 1 20 . 1 1 5 5 GLU N N 5 122.404 122.404 122.430 -0.026 18299 7219 1 20 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.773 0.520 18299 7220 1 20 . 1 1 5 5 GLU C C 5 174.389 174.389 174.660 -0.271 18299 7221 1 20 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.561 0.287 18299 7222 1 20 . 1 1 5 5 GLU CB C 5 32.742 32.742 32.340 0.402 18299 7223 1 20 . 1 1 5 5 GLU H H 5 8.951 8.951 8.269 0.682 18299 7224 1 20 . 1 1 6 6 PHE N N 6 119.234 119.234 124.074 -4.840 18299 7225 1 20 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.221 -0.036 18299 7226 1 20 . 1 1 6 6 PHE C C 6 175.130 175.130 174.333 0.797 18299 7227 1 20 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.899 -0.153 18299 7228 1 20 . 1 1 6 6 PHE CB C 6 42.682 42.682 44.021 -1.339 18299 7229 1 20 . 1 1 6 6 PHE H H 6 9.075 9.075 8.220 0.855 18299 7230 1 20 . 1 1 7 7 SER N N 7 118.028 118.028 119.131 -1.103 18299 7231 1 20 . 1 1 7 7 SER HA H 7 5.322 5.322 4.809 0.513 18299 7232 1 20 . 1 1 7 7 SER C C 7 174.651 174.651 172.606 2.045 18299 7233 1 20 . 1 1 7 7 SER CA C 7 56.636 56.636 57.734 -1.098 18299 7234 1 20 . 1 1 7 7 SER CB C 7 63.983 63.983 64.178 -0.195 18299 7235 1 20 . 1 1 7 7 SER H H 7 9.346 9.346 8.214 1.132 18299 7236 1 20 . 1 1 8 8 VAL N N 8 125.476 125.476 125.850 -0.374 18299 7237 1 20 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.902 -0.219 18299 7238 1 20 . 1 1 8 8 VAL C C 8 174.360 174.360 174.277 0.083 18299 7239 1 20 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.000 1.020 18299 7240 1 20 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.064 0.157 18299 7241 1 20 . 1 1 8 8 VAL H H 8 8.129 8.129 8.390 -0.261 18299 7242 1 20 . 1 1 9 9 ASP N N 9 124.989 124.989 130.126 -5.137 18299 7243 1 20 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.829 -0.133 18299 7244 1 20 . 1 1 9 9 ASP C C 9 175.278 175.278 175.972 -0.694 18299 7245 1 20 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.836 0.175 18299 7246 1 20 . 1 1 9 9 ASP CB C 9 40.521 40.521 42.048 -1.528 18299 7247 1 20 . 1 1 9 9 ASP H H 9 8.285 8.285 8.175 0.110 18299 7248 1 20 . 1 1 10 10 MET N N 10 125.927 125.927 124.356 1.571 18299 7249 1 20 . 1 1 10 10 MET HA H 10 4.712 4.712 4.463 0.249 18299 7250 1 20 . 1 1 10 10 MET C C 10 175.748 175.748 176.343 -0.595 18299 7251 1 20 . 1 1 10 10 MET CA C 10 54.825 54.825 56.715 -1.890 18299 7252 1 20 . 1 1 10 10 MET CB C 10 34.030 34.030 31.944 2.087 18299 7253 1 20 . 1 1 10 10 MET H H 10 8.096 8.096 8.766 -0.670 18299 7254 1 20 . 1 1 11 11 THR N N 11 116.339 116.339 119.015 -2.676 18299 7255 1 20 . 1 1 11 11 THR HA H 11 4.326 4.326 4.520 -0.194 18299 7256 1 20 . 1 1 11 11 THR C C 11 174.832 174.832 175.161 -0.329 18299 7257 1 20 . 1 1 11 11 THR CA C 11 63.908 63.908 63.829 0.079 18299 7258 1 20 . 1 1 11 11 THR CB C 11 69.529 69.529 69.784 -0.255 18299 7259 1 20 . 1 1 11 11 THR H H 11 8.886 8.886 8.748 0.138 18299 7260 1 20 . 1 1 12 12 CYS N N 12 117.534 117.534 121.247 -3.713 18299 7261 1 20 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.684 0.111 18299 7262 1 20 . 1 1 12 12 CYS C C 12 174.892 174.892 177.136 -2.244 18299 7263 1 20 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.702 -1.087 18299 7264 1 20 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.678 1.803 18299 7265 1 20 . 1 1 12 12 CYS H H 12 8.183 8.183 8.376 -0.193 18299 7266 1 20 . 1 1 13 13 GLY N N 13 110.516 110.516 111.128 -0.612 18299 7267 1 20 . 1 1 13 13 GLY C C 13 175.328 175.328 176.052 -0.724 18299 7268 1 20 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.754 -1.173 18299 7269 1 20 . 1 1 13 13 GLY H H 13 8.737 8.737 8.372 0.365 18299 7270 1 20 . 1 1 14 14 GLY N N 14 110.521 110.521 108.816 1.705 18299 7271 1 20 . 1 1 14 14 GLY C C 14 175.741 175.741 175.914 -0.173 18299 7272 1 20 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.865 -0.859 18299 7273 1 20 . 1 1 14 14 GLY H H 14 8.677 8.677 8.451 0.226 18299 7274 1 20 . 1 1 15 15 CYS N N 15 121.304 121.304 120.422 0.882 18299 7275 1 20 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.488 -0.125 18299 7276 1 20 . 1 1 15 15 CYS C C 15 176.557 176.557 176.379 0.178 18299 7277 1 20 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.361 0.995 18299 7278 1 20 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.261 1.261 18299 7279 1 20 . 1 1 15 15 CYS H H 15 7.853 7.853 8.398 -0.545 18299 7280 1 20 . 1 1 16 16 ALA N N 16 121.907 121.907 123.028 -1.121 18299 7281 1 20 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.112 -0.090 18299 7282 1 20 . 1 1 16 16 ALA C C 16 180.089 180.089 179.350 0.739 18299 7283 1 20 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.162 0.632 18299 7284 1 20 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.256 0.026 18299 7285 1 20 . 1 1 16 16 ALA H H 16 8.196 8.196 8.625 -0.429 18299 7286 1 20 . 1 1 17 17 GLU N N 17 118.976 118.976 118.692 0.284 18299 7287 1 20 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.086 -0.021 18299 7288 1 20 . 1 1 17 17 GLU C C 17 178.541 178.541 179.213 -0.672 18299 7289 1 20 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.474 0.206 18299 7290 1 20 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.208 -0.027 18299 7291 1 20 . 1 1 17 17 GLU H H 17 8.518 8.518 7.875 0.643 18299 7292 1 20 . 1 1 18 18 ALA N N 18 122.909 122.909 122.082 0.827 18299 7293 1 20 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.150 -0.061 18299 7294 1 20 . 1 1 18 18 ALA C C 18 179.665 179.665 179.580 0.085 18299 7295 1 20 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.669 0.415 18299 7296 1 20 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.076 0.069 18299 7297 1 20 . 1 1 18 18 ALA H H 18 7.863 7.863 7.358 0.505 18299 7298 1 20 . 1 1 19 19 VAL N N 19 118.050 118.050 118.699 -0.649 18299 7299 1 20 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.580 -0.283 18299 7300 1 20 . 1 1 19 19 VAL C C 19 176.602 176.602 177.819 -1.217 18299 7301 1 20 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.891 0.410 18299 7302 1 20 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.468 0.003 18299 7303 1 20 . 1 1 19 19 VAL H H 19 7.989 7.989 7.877 0.112 18299 7304 1 20 . 1 1 20 20 SER N N 20 113.425 113.425 115.039 -1.614 18299 7305 1 20 . 1 1 20 20 SER HA H 20 4.086 4.086 4.090 -0.004 18299 7306 1 20 . 1 1 20 20 SER C C 20 175.600 175.600 176.374 -0.774 18299 7307 1 20 . 1 1 20 20 SER CA C 20 62.064 62.064 61.739 0.325 18299 7308 1 20 . 1 1 20 20 SER CB C 20 62.443 62.443 62.872 -0.429 18299 7309 1 20 . 1 1 20 20 SER H H 20 7.808 7.808 7.759 0.049 18299 7310 1 20 . 1 1 21 21 ARG N N 21 119.858 119.858 120.527 -0.669 18299 7311 1 20 . 1 1 21 21 ARG HA H 21 4.004 4.004 4.046 -0.042 18299 7312 1 20 . 1 1 21 21 ARG C C 21 180.231 180.231 178.661 1.570 18299 7313 1 20 . 1 1 21 21 ARG CA C 21 60.070 60.070 58.783 1.286 18299 7314 1 20 . 1 1 21 21 ARG CB C 21 30.476 30.476 30.187 0.289 18299 7315 1 20 . 1 1 21 21 ARG H H 21 8.086 8.086 7.273 0.813 18299 7316 1 20 . 1 1 22 22 VAL N N 22 112.224 112.224 119.288 -7.064 18299 7317 1 20 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.776 0.246 18299 7318 1 20 . 1 1 22 22 VAL C C 22 179.211 179.211 177.502 1.709 18299 7319 1 20 . 1 1 22 22 VAL CA C 22 64.946 64.946 64.941 0.005 18299 7320 1 20 . 1 1 22 22 VAL CB C 22 30.663 30.663 30.763 -0.100 18299 7321 1 20 . 1 1 22 22 VAL H H 22 7.943 7.943 7.501 0.442 18299 7322 1 20 . 1 1 23 23 LEU N N 23 122.146 122.146 122.407 -0.261 18299 7323 1 20 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.901 0.085 18299 7324 1 20 . 1 1 23 23 LEU C C 23 178.347 178.347 177.415 0.932 18299 7325 1 20 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.948 -0.699 18299 7326 1 20 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.402 -0.552 18299 7327 1 20 . 1 1 23 23 LEU H H 23 7.692 7.692 7.751 -0.059 18299 7328 1 20 . 1 1 24 24 ASN N N 24 118.578 118.578 116.515 2.063 18299 7329 1 20 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.178 0.351 18299 7330 1 20 . 1 1 24 24 ASN C C 24 178.060 178.060 176.430 1.630 18299 7331 1 20 . 1 1 24 24 ASN CA C 24 55.606 55.606 55.453 0.153 18299 7332 1 20 . 1 1 24 24 ASN CB C 24 37.192 37.192 37.474 -0.282 18299 7333 1 20 . 1 1 24 24 ASN H H 24 8.683 8.683 7.893 0.790 18299 7334 1 20 . 1 1 25 25 LYS N N 25 118.395 118.395 119.057 -0.662 18299 7335 1 20 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.067 -0.003 18299 7336 1 20 . 1 1 25 25 LYS C C 25 177.770 177.770 178.378 -0.608 18299 7337 1 20 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.524 -0.279 18299 7338 1 20 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.517 -0.330 18299 7339 1 20 . 1 1 25 25 LYS H H 25 7.469 7.469 7.572 -0.103 18299 7340 1 20 . 1 1 26 26 LEU N N 26 121.105 121.105 119.447 1.658 18299 7341 1 20 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.180 -0.089 18299 7342 1 20 . 1 1 26 26 LEU C C 26 178.609 178.609 178.137 0.472 18299 7343 1 20 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.643 1.099 18299 7344 1 20 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.899 0.292 18299 7345 1 20 . 1 1 26 26 LEU H H 26 7.209 7.209 7.572 -0.363 18299 7346 1 20 . 1 1 27 27 GLY N N 27 104.036 104.036 104.389 -0.353 18299 7347 1 20 . 1 1 27 27 GLY C C 27 173.508 173.508 174.930 -1.422 18299 7348 1 20 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.127 -0.894 18299 7349 1 20 . 1 1 27 27 GLY H H 27 7.691 7.691 8.244 -0.553 18299 7350 1 20 . 1 1 28 28 GLY N N 28 106.538 106.538 108.551 -2.013 18299 7351 1 20 . 1 1 28 28 GLY C C 28 175.737 175.737 173.869 1.868 18299 7352 1 20 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.989 1.629 18299 7353 1 20 . 1 1 28 28 GLY H H 28 8.603 8.603 8.058 0.545 18299 7354 1 20 . 1 1 29 29 VAL N N 29 112.116 112.116 115.730 -3.614 18299 7355 1 20 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.440 0.509 18299 7356 1 20 . 1 1 29 29 VAL C C 29 174.487 174.487 175.218 -0.731 18299 7357 1 20 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.474 0.264 18299 7358 1 20 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.252 2.261 18299 7359 1 20 . 1 1 29 29 VAL H H 29 7.974 7.974 7.329 0.645 18299 7360 1 20 . 1 1 30 30 LYS N N 30 124.568 124.568 121.599 2.969 18299 7361 1 20 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.287 0.361 18299 7362 1 20 . 1 1 30 30 LYS C C 30 174.964 174.964 174.998 -0.034 18299 7363 1 20 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.858 -1.855 18299 7364 1 20 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.802 1.837 18299 7365 1 20 . 1 1 30 30 LYS H H 30 8.370 8.370 8.544 -0.174 18299 7366 1 20 . 1 1 31 31 TYR N N 31 121.504 121.504 119.001 2.503 18299 7367 1 20 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.367 0.617 18299 7368 1 20 . 1 1 31 31 TYR C C 31 172.758 172.758 174.176 -1.418 18299 7369 1 20 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.555 -0.431 18299 7370 1 20 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.422 1.359 18299 7371 1 20 . 1 1 31 31 TYR H H 31 8.531 8.531 8.273 0.258 18299 7372 1 20 . 1 1 32 32 ASP N N 32 119.262 119.262 120.634 -1.372 18299 7373 1 20 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.637 0.355 18299 7374 1 20 . 1 1 32 32 ASP C C 32 174.839 174.839 174.291 0.548 18299 7375 1 20 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.712 -0.429 18299 7376 1 20 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.186 0.665 18299 7377 1 20 . 1 1 32 32 ASP H H 32 8.750 8.750 8.466 0.284 18299 7378 1 20 . 1 1 33 33 ILE N N 33 124.951 124.951 122.312 2.639 18299 7379 1 20 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.276 0.083 18299 7380 1 20 . 1 1 33 33 ILE C C 33 173.855 173.855 174.901 -1.046 18299 7381 1 20 . 1 1 33 33 ILE CA C 33 61.932 61.932 60.685 1.247 18299 7382 1 20 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.162 0.472 18299 7383 1 20 . 1 1 33 33 ILE H H 33 9.001 9.001 8.397 0.604 18299 7384 1 20 . 1 1 34 34 ASP N N 34 130.202 130.202 130.083 0.119 18299 7385 1 20 . 1 1 34 34 ASP HA H 34 4.975 4.975 4.963 0.012 18299 7386 1 20 . 1 1 34 34 ASP C C 34 175.761 175.761 176.244 -0.483 18299 7387 1 20 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.361 -1.552 18299 7388 1 20 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.949 -0.708 18299 7389 1 20 . 1 1 34 34 ASP H H 34 9.033 9.033 8.212 0.821 18299 7390 1 20 . 1 1 35 35 LEU N N 35 123.830 123.830 125.390 -1.560 18299 7391 1 20 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.277 0.033 18299 7392 1 20 . 1 1 35 35 LEU CA C 35 59.862 59.862 58.825 1.037 18299 7393 1 20 . 1 1 35 35 LEU CB C 35 39.352 39.352 39.364 -0.012 18299 7394 1 20 . 1 1 35 35 LEU H H 35 8.888 8.888 8.809 0.079 18299 7395 1 20 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.257 0.039 18299 7396 1 20 . 1 1 36 36 PRO C C 36 177.959 177.959 177.452 0.507 18299 7397 1 20 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.449 0.937 18299 7398 1 20 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.331 0.162 18299 7399 1 20 . 1 1 37 37 ASN N N 37 110.308 110.308 112.750 -2.442 18299 7400 1 20 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.873 0.026 18299 7401 1 20 . 1 1 37 37 ASN C C 37 172.880 172.880 173.962 -1.082 18299 7402 1 20 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.795 -0.187 18299 7403 1 20 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.817 -1.272 18299 7404 1 20 . 1 1 37 37 ASN H H 37 7.255 7.255 7.684 -0.429 18299 7405 1 20 . 1 1 38 38 LYS N N 38 119.648 119.648 116.287 3.361 18299 7406 1 20 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.866 -0.034 18299 7407 1 20 . 1 1 38 38 LYS C C 38 175.375 175.375 175.045 0.330 18299 7408 1 20 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.349 0.879 18299 7409 1 20 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.588 -0.136 18299 7410 1 20 . 1 1 38 38 LYS H H 38 8.328 8.328 8.024 0.304 18299 7411 1 20 . 1 1 39 39 LYS N N 39 116.950 116.950 116.469 0.481 18299 7412 1 20 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.689 0.965 18299 7413 1 20 . 1 1 39 39 LYS C C 39 174.797 174.797 174.191 0.606 18299 7414 1 20 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.918 -0.014 18299 7415 1 20 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.361 0.258 18299 7416 1 20 . 1 1 39 39 LYS H H 39 8.203 8.203 7.510 0.693 18299 7417 1 20 . 1 1 40 40 VAL N N 40 121.279 121.279 120.709 0.570 18299 7418 1 20 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.867 0.107 18299 7419 1 20 . 1 1 40 40 VAL C C 40 173.992 173.992 174.715 -0.723 18299 7420 1 20 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.377 0.314 18299 7421 1 20 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.324 1.493 18299 7422 1 20 . 1 1 40 40 VAL H H 40 9.115 9.115 8.081 1.034 18299 7423 1 20 . 1 1 41 41 CYS N N 41 126.779 126.779 125.974 0.805 18299 7424 1 20 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.098 0.537 18299 7425 1 20 . 1 1 41 41 CYS C C 41 174.839 174.839 173.788 1.051 18299 7426 1 20 . 1 1 41 41 CYS CA C 41 56.971 56.971 56.054 0.917 18299 7427 1 20 . 1 1 41 41 CYS CB C 41 29.139 29.139 27.597 1.542 18299 7428 1 20 . 1 1 41 41 CYS H H 41 8.767 8.767 8.431 0.336 18299 7429 1 20 . 1 1 42 42 ILE N N 42 125.941 125.941 122.779 3.162 18299 7430 1 20 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.800 0.179 18299 7431 1 20 . 1 1 42 42 ILE C C 42 174.113 174.113 173.750 0.363 18299 7432 1 20 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.427 1.802 18299 7433 1 20 . 1 1 42 42 ILE CB C 42 42.439 42.439 41.975 0.464 18299 7434 1 20 . 1 1 42 42 ILE H H 42 9.697 9.697 8.618 1.079 18299 7435 1 20 . 1 1 43 43 GLU N N 43 130.488 130.488 130.101 0.387 18299 7436 1 20 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.383 1.073 18299 7437 1 20 . 1 1 43 43 GLU C C 43 176.185 176.185 174.193 1.992 18299 7438 1 20 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.086 -0.201 18299 7439 1 20 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.618 0.408 18299 7440 1 20 . 1 1 43 43 GLU H H 43 9.510 9.510 8.389 1.121 18299 7441 1 20 . 1 1 44 44 SER N N 44 119.391 119.391 121.119 -1.728 18299 7442 1 20 . 1 1 44 44 SER HA H 44 4.868 4.868 4.794 0.074 18299 7443 1 20 . 1 1 44 44 SER C C 44 173.026 173.026 174.051 -1.025 18299 7444 1 20 . 1 1 44 44 SER CA C 44 59.104 59.104 56.225 2.879 18299 7445 1 20 . 1 1 44 44 SER CB C 44 66.159 66.159 65.679 0.480 18299 7446 1 20 . 1 1 44 44 SER H H 44 8.681 8.681 7.570 1.111 18299 7447 1 20 . 1 1 45 45 GLU N N 45 121.420 121.420 121.207 0.213 18299 7448 1 20 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.219 0.335 18299 7449 1 20 . 1 1 45 45 GLU C C 45 177.473 177.473 177.563 -0.090 18299 7450 1 20 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.564 -2.357 18299 7451 1 20 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.865 -0.014 18299 7452 1 20 . 1 1 45 45 GLU H H 45 9.026 9.026 8.817 0.209 18299 7453 1 20 . 1 1 46 46 HIS N N 46 119.653 119.653 118.649 1.004 18299 7454 1 20 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.596 0.047 18299 7455 1 20 . 1 1 46 46 HIS C C 46 175.514 175.514 174.715 0.799 18299 7456 1 20 . 1 1 46 46 HIS CA C 46 56.915 56.915 57.544 -0.628 18299 7457 1 20 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.924 0.801 18299 7458 1 20 . 1 1 46 46 HIS H H 46 8.423 8.423 8.281 0.142 18299 7459 1 20 . 1 1 47 47 SER N N 47 116.562 116.562 113.937 2.625 18299 7460 1 20 . 1 1 47 47 SER HA H 47 4.349 4.349 3.718 0.631 18299 7461 1 20 . 1 1 47 47 SER C C 47 174.638 174.638 173.801 0.837 18299 7462 1 20 . 1 1 47 47 SER CA C 47 57.438 57.438 58.086 -0.648 18299 7463 1 20 . 1 1 47 47 SER CB C 47 65.022 65.022 61.820 3.202 18299 7464 1 20 . 1 1 47 47 SER H H 47 9.093 9.093 8.373 0.720 18299 7465 1 20 . 1 1 48 48 MET N N 48 121.402 121.402 120.821 0.581 18299 7466 1 20 . 1 1 48 48 MET HA H 48 3.412 3.412 4.142 -0.730 18299 7467 1 20 . 1 1 48 48 MET C C 48 177.797 177.797 174.289 3.508 18299 7468 1 20 . 1 1 48 48 MET CA C 48 60.298 60.298 57.018 3.280 18299 7469 1 20 . 1 1 48 48 MET CB C 48 30.776 30.776 31.406 -0.630 18299 7470 1 20 . 1 1 48 48 MET H H 48 8.920 8.920 8.399 0.521 18299 7471 1 20 . 1 1 49 49 ASP N N 49 116.251 116.251 117.606 -1.355 18299 7472 1 20 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.407 -0.205 18299 7473 1 20 . 1 1 49 49 ASP C C 49 179.291 179.291 176.522 2.769 18299 7474 1 20 . 1 1 49 49 ASP CA C 49 57.555 57.555 54.960 2.595 18299 7475 1 20 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.489 0.363 18299 7476 1 20 . 1 1 49 49 ASP H H 49 8.345 8.345 8.054 0.291 18299 7477 1 20 . 1 1 50 50 THR N N 50 120.023 120.023 117.097 2.926 18299 7478 1 20 . 1 1 50 50 THR HA H 50 4.305 4.305 4.198 0.107 18299 7479 1 20 . 1 1 50 50 THR C C 50 177.416 177.416 176.529 0.887 18299 7480 1 20 . 1 1 50 50 THR CA C 50 66.392 66.392 65.231 1.161 18299 7481 1 20 . 1 1 50 50 THR CB C 50 68.452 68.452 68.732 -0.280 18299 7482 1 20 . 1 1 50 50 THR H H 50 8.019 8.019 8.163 -0.144 18299 7483 1 20 . 1 1 51 51 LEU N N 51 124.562 124.562 121.031 3.531 18299 7484 1 20 . 1 1 51 51 LEU HA H 51 3.508 3.508 4.044 -0.536 18299 7485 1 20 . 1 1 51 51 LEU C C 51 177.386 177.386 179.448 -2.062 18299 7486 1 20 . 1 1 51 51 LEU CA C 51 58.463 58.463 57.624 0.839 18299 7487 1 20 . 1 1 51 51 LEU CB C 51 42.368 42.368 39.992 2.376 18299 7488 1 20 . 1 1 51 51 LEU H H 51 8.043 8.043 7.835 0.208 18299 7489 1 20 . 1 1 52 52 LEU N N 52 120.718 120.718 116.815 3.903 18299 7490 1 20 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.927 -0.381 18299 7491 1 20 . 1 1 52 52 LEU C C 52 178.065 178.065 178.819 -0.754 18299 7492 1 20 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.703 0.768 18299 7493 1 20 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.419 2.282 18299 7494 1 20 . 1 1 52 52 LEU H H 52 8.993 8.993 7.659 1.334 18299 7495 1 20 . 1 1 53 53 ALA N N 53 118.641 118.641 120.382 -1.741 18299 7496 1 20 . 1 1 53 53 ALA HA H 53 3.913 3.913 4.008 -0.095 18299 7497 1 20 . 1 1 53 53 ALA C C 53 180.677 180.677 179.383 1.294 18299 7498 1 20 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.019 0.016 18299 7499 1 20 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.297 -0.127 18299 7500 1 20 . 1 1 53 53 ALA H H 53 7.859 7.859 7.707 0.152 18299 7501 1 20 . 1 1 54 54 THR N N 54 114.407 114.407 113.440 0.967 18299 7502 1 20 . 1 1 54 54 THR HA H 54 3.662 3.662 4.028 -0.366 18299 7503 1 20 . 1 1 54 54 THR C C 54 175.694 175.694 177.077 -1.383 18299 7504 1 20 . 1 1 54 54 THR CA C 54 67.449 67.449 65.362 2.087 18299 7505 1 20 . 1 1 54 54 THR CB C 54 68.226 68.226 68.920 -0.694 18299 7506 1 20 . 1 1 54 54 THR H H 54 7.688 7.688 7.595 0.093 18299 7507 1 20 . 1 1 55 55 LEU N N 55 119.491 119.491 123.513 -4.022 18299 7508 1 20 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.091 -0.289 18299 7509 1 20 . 1 1 55 55 LEU C C 55 179.660 179.660 178.862 0.798 18299 7510 1 20 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.613 0.238 18299 7511 1 20 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.362 1.645 18299 7512 1 20 . 1 1 55 55 LEU H H 55 8.104 8.104 8.631 -0.527 18299 7513 1 20 . 1 1 56 56 LYS N N 56 119.317 119.317 118.035 1.282 18299 7514 1 20 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.025 -0.056 18299 7515 1 20 . 1 1 56 56 LYS C C 56 179.227 179.227 179.124 0.103 18299 7516 1 20 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.560 1.216 18299 7517 1 20 . 1 1 56 56 LYS CB C 56 32.222 32.222 32.074 0.148 18299 7518 1 20 . 1 1 56 56 LYS H H 56 8.333 8.333 7.968 0.365 18299 7519 1 20 . 1 1 57 57 LYS N N 57 120.188 120.188 119.141 1.047 18299 7520 1 20 . 1 1 57 57 LYS HA H 57 4.162 4.162 3.987 0.175 18299 7521 1 20 . 1 1 57 57 LYS C C 57 178.128 178.128 178.205 -0.077 18299 7522 1 20 . 1 1 57 57 LYS CA C 57 59.083 59.083 59.119 -0.036 18299 7523 1 20 . 1 1 57 57 LYS CB C 57 32.452 32.452 31.733 0.719 18299 7524 1 20 . 1 1 57 57 LYS H H 57 7.646 7.646 7.601 0.045 18299 7525 1 20 . 1 1 58 58 THR N N 58 106.563 106.563 108.486 -1.923 18299 7526 1 20 . 1 1 58 58 THR HA H 58 4.277 4.277 4.369 -0.092 18299 7527 1 20 . 1 1 58 58 THR C C 58 175.933 175.933 175.807 0.126 18299 7528 1 20 . 1 1 58 58 THR CA C 58 63.742 63.742 62.855 0.887 18299 7529 1 20 . 1 1 58 58 THR CB C 58 71.108 71.108 70.076 1.032 18299 7530 1 20 . 1 1 58 58 THR H H 58 7.483 7.483 7.698 -0.215 18299 7531 1 20 . 1 1 59 59 GLY N N 59 108.569 108.569 110.570 -2.001 18299 7532 1 20 . 1 1 59 59 GLY C C 59 173.171 173.171 173.744 -0.573 18299 7533 1 20 . 1 1 59 59 GLY CA C 59 44.991 44.991 44.704 0.287 18299 7534 1 20 . 1 1 59 59 GLY H H 59 7.774 7.774 8.009 -0.235 18299 7535 1 20 . 1 1 60 60 ALA N N 60 122.420 122.420 123.744 -1.324 18299 7536 1 20 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.462 0.044 18299 7537 1 20 . 1 1 60 60 ALA C C 60 177.155 177.155 177.026 0.129 18299 7538 1 20 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.892 -0.837 18299 7539 1 20 . 1 1 60 60 ALA CB C 60 20.308 20.308 19.880 0.428 18299 7540 1 20 . 1 1 60 60 ALA H H 60 7.524 7.524 7.387 0.137 18299 7541 1 20 . 1 1 61 61 THR N N 61 117.690 117.690 117.818 -0.128 18299 7542 1 20 . 1 1 61 61 THR HA H 61 4.321 4.321 4.385 -0.064 18299 7543 1 20 . 1 1 61 61 THR C C 61 174.635 174.635 173.791 0.844 18299 7544 1 20 . 1 1 61 61 THR CA C 61 63.922 63.922 63.266 0.656 18299 7545 1 20 . 1 1 61 61 THR CB C 61 68.904 68.904 69.129 -0.225 18299 7546 1 20 . 1 1 61 61 THR H H 61 8.491 8.491 8.294 0.197 18299 7547 1 20 . 1 1 62 62 VAL N N 62 129.030 129.030 120.492 8.538 18299 7548 1 20 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.880 0.434 18299 7549 1 20 . 1 1 62 62 VAL C C 62 174.947 174.947 175.510 -0.563 18299 7550 1 20 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.376 -0.061 18299 7551 1 20 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.495 1.169 18299 7552 1 20 . 1 1 62 62 VAL H H 62 8.709 8.709 8.212 0.497 18299 7553 1 20 . 1 1 63 63 SER N N 63 119.588 119.588 118.507 1.081 18299 7554 1 20 . 1 1 63 63 SER HA H 63 4.865 4.865 4.698 0.167 18299 7555 1 20 . 1 1 63 63 SER C C 63 173.019 173.019 172.557 0.462 18299 7556 1 20 . 1 1 63 63 SER CA C 63 57.347 57.347 57.522 -0.174 18299 7557 1 20 . 1 1 63 63 SER CB C 63 65.605 65.605 65.402 0.203 18299 7558 1 20 . 1 1 63 63 SER H H 63 8.988 8.988 8.141 0.847 18299 7559 1 20 . 1 1 64 64 TYR N N 64 125.400 125.400 128.379 -2.979 18299 7560 1 20 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.250 1.329 18299 7561 1 20 . 1 1 64 64 TYR C C 64 175.523 175.523 174.247 1.276 18299 7562 1 20 . 1 1 64 64 TYR CA C 64 57.454 57.454 58.153 -0.699 18299 7563 1 20 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.114 0.909 18299 7564 1 20 . 1 1 64 64 TYR H H 64 9.391 9.391 8.835 0.556 18299 7565 1 20 . 1 1 65 65 LEU N N 65 128.500 128.500 127.667 0.833 18299 7566 1 20 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.284 0.035 18299 7567 1 20 . 1 1 65 65 LEU C C 65 176.473 176.473 176.616 -0.143 18299 7568 1 20 . 1 1 65 65 LEU CA C 65 54.677 54.677 54.834 -0.157 18299 7569 1 20 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.588 -0.530 18299 7570 1 20 . 1 1 65 65 LEU H H 65 8.304 8.304 7.975 0.329 18299 7571 1 20 . 1 1 66 66 GLY N N 66 105.737 105.737 104.270 1.467 18299 7572 1 20 . 1 1 66 66 GLY C C 66 171.330 171.330 172.243 -0.913 18299 7573 1 20 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.894 0.142 18299 7574 1 20 . 1 1 66 66 GLY H H 66 5.977 5.977 7.181 -1.204 18299 7575 1 20 . 1 1 67 67 LEU N N 67 120.133 120.133 118.833 1.300 18299 7576 1 20 . 1 1 67 67 LEU HA H 67 4.782 4.782 5.560 -0.778 18299 7577 1 20 . 1 1 67 67 LEU C C 67 177.339 177.339 175.772 1.567 18299 7578 1 20 . 1 1 67 67 LEU CA C 67 54.376 54.376 53.472 0.904 18299 7579 1 20 . 1 1 67 67 LEU CB C 67 43.881 43.881 45.197 -1.316 18299 7580 1 20 . 1 1 67 67 LEU H H 67 7.947 7.947 8.097 -0.150 18299 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 64 2.586 0.175 2.600 18299 2 1 1 "Average Difference" HA 70 0.335 -0.101 0.321 18299 3 1 1 "Average Difference" C 65 1.123 -0.215 1.111 18299 4 1 1 "Average Difference" CA 66 1.087 -0.302 1.053 18299 5 1 1 "Average Difference" CB 60 1.104 -0.390 1.041 18299 6 1 1 "Average Difference" HN 64 0.569 -0.196 0.539 18299 7 1 2 "Average Difference" N 64 2.702 0.054 2.723 18299 8 1 2 "Average Difference" HA 70 0.393 -0.107 0.381 18299 9 1 2 "Average Difference" C 65 1.162 -0.154 1.161 18299 10 1 2 "Average Difference" CA 66 1.153 -0.229 1.139 18299 11 1 2 "Average Difference" CB 60 1.089 -0.341 1.043 18299 12 1 2 "Average Difference" HN 64 0.574 -0.207 0.540 18299 13 1 3 "Average Difference" N 64 2.620 0.087 2.640 18299 14 1 3 "Average Difference" HA 70 0.394 -0.124 0.377 18299 15 1 3 "Average Difference" C 65 1.151 -0.140 1.152 18299 16 1 3 "Average Difference" CA 66 1.152 -0.261 1.130 18299 17 1 3 "Average Difference" CB 60 1.023 -0.416 0.943 18299 18 1 3 "Average Difference" HN 64 0.593 -0.199 0.563 18299 19 1 4 "Average Difference" N 64 2.384 0.127 2.400 18299 20 1 4 "Average Difference" HA 70 0.430 -0.129 0.413 18299 21 1 4 "Average Difference" C 65 1.083 -0.161 1.079 18299 22 1 4 "Average Difference" CA 66 1.079 -0.243 1.059 18299 23 1 4 "Average Difference" CB 60 1.126 -0.388 1.066 18299 24 1 4 "Average Difference" HN 64 0.525 -0.178 0.498 18299 25 1 5 "Average Difference" N 64 2.806 0.031 2.828 18299 26 1 5 "Average Difference" HA 70 0.372 -0.101 0.361 18299 27 1 5 "Average Difference" C 65 1.115 -0.099 1.119 18299 28 1 5 "Average Difference" CA 66 1.165 -0.356 1.118 18299 29 1 5 "Average Difference" CB 60 1.028 -0.371 0.967 18299 30 1 5 "Average Difference" HN 64 0.527 -0.203 0.490 18299 31 1 6 "Average Difference" N 64 2.451 0.039 2.470 18299 32 1 6 "Average Difference" HA 70 0.395 -0.141 0.372 18299 33 1 6 "Average Difference" C 65 1.198 -0.138 1.199 18299 34 1 6 "Average Difference" CA 66 1.163 -0.282 1.137 18299 35 1 6 "Average Difference" CB 60 1.060 -0.367 1.002 18299 36 1 6 "Average Difference" HN 64 0.542 -0.232 0.494 18299 37 1 7 "Average Difference" N 64 2.408 0.166 2.421 18299 38 1 7 "Average Difference" HA 70 0.362 -0.107 0.349 18299 39 1 7 "Average Difference" C 65 1.120 -0.144 1.120 18299 40 1 7 "Average Difference" CA 66 1.167 -0.266 1.145 18299 41 1 7 "Average Difference" CB 60 1.028 -0.402 0.954 18299 42 1 7 "Average Difference" HN 64 0.586 -0.215 0.549 18299 43 1 8 "Average Difference" N 64 2.333 0.269 2.336 18299 44 1 8 "Average Difference" HA 70 0.400 -0.139 0.378 18299 45 1 8 "Average Difference" C 65 1.133 -0.136 1.133 18299 46 1 8 "Average Difference" CA 66 1.136 -0.233 1.120 18299 47 1 8 "Average Difference" CB 60 1.096 -0.422 1.020 18299 48 1 8 "Average Difference" HN 64 0.511 -0.154 0.491 18299 49 1 9 "Average Difference" N 64 2.548 0.276 2.553 18299 50 1 9 "Average Difference" HA 70 0.405 -0.121 0.389 18299 51 1 9 "Average Difference" C 65 1.137 -0.165 1.134 18299 52 1 9 "Average Difference" CA 66 1.095 -0.220 1.081 18299 53 1 9 "Average Difference" CB 60 1.052 -0.391 0.986 18299 54 1 9 "Average Difference" HN 64 0.536 -0.194 0.504 18299 55 1 10 "Average Difference" N 64 2.480 0.132 2.497 18299 56 1 10 "Average Difference" HA 70 0.368 -0.081 0.362 18299 57 1 10 "Average Difference" C 65 1.159 -0.236 1.144 18299 58 1 10 "Average Difference" CA 66 1.156 -0.382 1.099 18299 59 1 10 "Average Difference" CB 60 1.095 -0.309 1.059 18299 60 1 10 "Average Difference" HN 64 0.545 -0.183 0.517 18299 61 1 11 "Average Difference" N 64 2.855 0.059 2.877 18299 62 1 11 "Average Difference" HA 70 0.356 -0.107 0.342 18299 63 1 11 "Average Difference" C 65 1.188 -0.194 1.182 18299 64 1 11 "Average Difference" CA 66 1.110 -0.210 1.099 18299 65 1 11 "Average Difference" CB 60 1.109 -0.329 1.068 18299 66 1 11 "Average Difference" HN 64 0.647 -0.296 0.580 18299 67 1 12 "Average Difference" N 64 2.571 0.205 2.583 18299 68 1 12 "Average Difference" HA 70 0.355 -0.114 0.339 18299 69 1 12 "Average Difference" C 65 1.143 -0.153 1.142 18299 70 1 12 "Average Difference" CA 66 1.184 -0.255 1.166 18299 71 1 12 "Average Difference" CB 60 1.153 -0.462 1.065 18299 72 1 12 "Average Difference" HN 64 0.539 -0.170 0.516 18299 73 1 13 "Average Difference" N 64 2.710 0.110 2.729 18299 74 1 13 "Average Difference" HA 70 0.332 -0.088 0.322 18299 75 1 13 "Average Difference" C 65 1.180 -0.217 1.169 18299 76 1 13 "Average Difference" CA 66 1.144 -0.295 1.114 18299 77 1 13 "Average Difference" CB 60 1.069 -0.384 1.006 18299 78 1 13 "Average Difference" HN 64 0.626 -0.256 0.576 18299 79 1 14 "Average Difference" N 64 2.566 0.390 2.557 18299 80 1 14 "Average Difference" HA 70 0.378 -0.107 0.365 18299 81 1 14 "Average Difference" C 65 1.217 -0.136 1.219 18299 82 1 14 "Average Difference" CA 66 1.171 -0.249 1.153 18299 83 1 14 "Average Difference" CB 60 1.062 -0.378 1.001 18299 84 1 14 "Average Difference" HN 64 0.548 -0.142 0.533 18299 85 1 15 "Average Difference" N 64 2.662 0.341 2.661 18299 86 1 15 "Average Difference" HA 70 0.373 -0.108 0.360 18299 87 1 15 "Average Difference" C 65 1.168 -0.159 1.166 18299 88 1 15 "Average Difference" CA 66 1.176 -0.373 1.124 18299 89 1 15 "Average Difference" CB 60 1.106 -0.438 1.024 18299 90 1 15 "Average Difference" HN 64 0.527 -0.168 0.503 18299 91 1 16 "Average Difference" N 64 2.665 0.061 2.685 18299 92 1 16 "Average Difference" HA 70 0.359 -0.105 0.346 18299 93 1 16 "Average Difference" C 65 1.094 -0.203 1.083 18299 94 1 16 "Average Difference" CA 66 1.187 -0.282 1.162 18299 95 1 16 "Average Difference" CB 60 1.030 -0.269 1.003 18299 96 1 16 "Average Difference" HN 64 0.496 -0.213 0.451 18299 97 1 17 "Average Difference" N 64 2.627 0.120 2.645 18299 98 1 17 "Average Difference" HA 70 0.420 -0.115 0.407 18299 99 1 17 "Average Difference" C 65 1.118 -0.155 1.116 18299 100 1 17 "Average Difference" CA 66 1.242 -0.317 1.210 18299 101 1 17 "Average Difference" CB 60 1.134 -0.408 1.067 18299 102 1 17 "Average Difference" HN 64 0.583 -0.202 0.551 18299 103 1 18 "Average Difference" N 64 2.664 0.192 2.678 18299 104 1 18 "Average Difference" HA 70 0.377 -0.116 0.362 18299 105 1 18 "Average Difference" C 65 1.109 -0.157 1.107 18299 106 1 18 "Average Difference" CA 66 1.098 -0.388 1.035 18299 107 1 18 "Average Difference" CB 60 1.078 -0.420 1.001 18299 108 1 18 "Average Difference" HN 64 0.558 -0.167 0.537 18299 109 1 19 "Average Difference" N 64 2.374 0.131 2.389 18299 110 1 19 "Average Difference" HA 70 0.385 -0.120 0.369 18299 111 1 19 "Average Difference" C 65 1.163 -0.125 1.165 18299 112 1 19 "Average Difference" CA 66 1.171 -0.324 1.134 18299 113 1 19 "Average Difference" CB 60 1.013 -0.353 0.957 18299 114 1 19 "Average Difference" HN 64 0.552 -0.205 0.517 18299 115 1 20 "Average Difference" N 64 2.455 0.018 2.474 18299 116 1 20 "Average Difference" HA 70 0.391 -0.112 0.377 18299 117 1 20 "Average Difference" C 65 1.123 -0.130 1.124 18299 118 1 20 "Average Difference" CA 66 1.129 -0.271 1.104 18299 119 1 20 "Average Difference" CB 60 1.131 -0.443 1.049 18299 120 1 20 "Average Difference" HN 64 0.564 -0.259 0.505 18299 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 18299 _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 PRO HA H 2 4.253 4.253 4.560 -0.307 18299 2 1 . 1 1 2 2 PRO C C 2 174.299 174.299 175.693 -1.394 18299 3 1 . 1 1 2 2 PRO CA C 2 63.335 63.335 62.662 0.673 18299 4 1 . 1 1 2 2 PRO CB C 2 32.633 32.633 32.402 0.231 18299 5 1 . 1 1 3 3 LYS N N 3 121.020 121.020 120.419 0.601 18299 6 1 . 1 1 3 3 LYS HA H 3 4.934 4.934 4.476 0.458 18299 7 1 . 1 1 3 3 LYS C C 3 175.055 175.055 175.279 -0.224 18299 8 1 . 1 1 3 3 LYS CA C 3 54.894 54.894 55.716 -0.822 18299 9 1 . 1 1 3 3 LYS CB C 3 34.382 34.382 34.373 0.009 18299 10 1 . 1 1 3 3 LYS H H 3 8.038 8.038 8.348 -0.310 18299 11 1 . 1 1 4 4 HIS N N 4 122.815 122.815 122.782 0.033 18299 12 1 . 1 1 4 4 HIS HA H 4 4.959 4.959 5.032 -0.073 18299 13 1 . 1 1 4 4 HIS C C 4 174.771 174.771 173.832 0.939 18299 14 1 . 1 1 4 4 HIS CA C 4 56.042 56.042 54.719 1.323 18299 15 1 . 1 1 4 4 HIS CB C 4 35.244 35.244 32.981 2.263 18299 16 1 . 1 1 4 4 HIS H H 4 8.908 8.908 8.628 0.280 18299 17 1 . 1 1 5 5 GLU N N 5 122.404 122.404 125.717 -3.313 18299 18 1 . 1 1 5 5 GLU HA H 5 5.293 5.293 4.722 0.571 18299 19 1 . 1 1 5 5 GLU C C 5 174.389 174.389 174.735 -0.346 18299 20 1 . 1 1 5 5 GLU CA C 5 55.848 55.848 55.471 0.377 18299 21 1 . 1 1 5 5 GLU CB C 5 32.742 32.742 31.920 0.822 18299 22 1 . 1 1 5 5 GLU H H 5 8.951 8.951 8.334 0.617 18299 23 1 . 1 1 6 6 PHE N N 6 119.234 119.234 124.367 -5.133 18299 24 1 . 1 1 6 6 PHE HA H 6 5.185 5.185 5.030 0.155 18299 25 1 . 1 1 6 6 PHE C C 6 175.130 175.130 173.905 1.226 18299 26 1 . 1 1 6 6 PHE CA C 6 56.746 56.746 56.662 0.084 18299 27 1 . 1 1 6 6 PHE CB C 6 42.682 42.682 43.808 -1.126 18299 28 1 . 1 1 6 6 PHE H H 6 9.075 9.075 8.420 0.655 18299 29 1 . 1 1 7 7 SER N N 7 118.028 118.028 118.921 -0.893 18299 30 1 . 1 1 7 7 SER HA H 7 5.322 5.322 4.804 0.518 18299 31 1 . 1 1 7 7 SER C C 7 174.651 174.651 172.624 2.027 18299 32 1 . 1 1 7 7 SER CA C 7 56.636 56.636 57.272 -0.636 18299 33 1 . 1 1 7 7 SER CB C 7 63.983 63.983 64.234 -0.251 18299 34 1 . 1 1 7 7 SER H H 7 9.346 9.346 8.686 0.660 18299 35 1 . 1 1 8 8 VAL N N 8 125.476 125.476 126.374 -0.898 18299 36 1 . 1 1 8 8 VAL HA H 8 4.683 4.683 4.897 -0.214 18299 37 1 . 1 1 8 8 VAL C C 8 174.360 174.360 174.404 -0.044 18299 38 1 . 1 1 8 8 VAL CA C 8 61.020 61.020 60.038 0.982 18299 39 1 . 1 1 8 8 VAL CB C 8 35.221 35.221 35.146 0.075 18299 40 1 . 1 1 8 8 VAL H H 8 8.129 8.129 8.464 -0.335 18299 41 1 . 1 1 9 9 ASP N N 9 124.989 124.989 129.434 -4.445 18299 42 1 . 1 1 9 9 ASP HA H 9 4.696 4.696 4.741 -0.045 18299 43 1 . 1 1 9 9 ASP C C 9 175.278 175.278 175.656 -0.378 18299 44 1 . 1 1 9 9 ASP CA C 9 54.011 54.011 53.966 0.045 18299 45 1 . 1 1 9 9 ASP CB C 9 40.521 40.521 41.799 -1.278 18299 46 1 . 1 1 9 9 ASP H H 9 8.285 8.285 8.156 0.129 18299 47 1 . 1 1 10 10 MET N N 10 125.927 125.927 124.011 1.916 18299 48 1 . 1 1 10 10 MET HA H 10 4.712 4.712 4.471 0.241 18299 49 1 . 1 1 10 10 MET C C 10 175.748 175.748 176.143 -0.395 18299 50 1 . 1 1 10 10 MET CA C 10 54.825 54.825 56.223 -1.398 18299 51 1 . 1 1 10 10 MET CB C 10 34.030 34.030 32.278 1.752 18299 52 1 . 1 1 10 10 MET H H 10 8.096 8.096 8.568 -0.472 18299 53 1 . 1 1 11 11 THR N N 11 116.339 116.339 118.242 -1.903 18299 54 1 . 1 1 11 11 THR HA H 11 4.326 4.326 4.474 -0.148 18299 55 1 . 1 1 11 11 THR C C 11 174.832 174.832 175.302 -0.470 18299 56 1 . 1 1 11 11 THR CA C 11 63.908 63.908 63.100 0.808 18299 57 1 . 1 1 11 11 THR CB C 11 69.529 69.529 69.571 -0.042 18299 58 1 . 1 1 11 11 THR H H 11 8.886 8.886 8.701 0.185 18299 59 1 . 1 1 12 12 CYS N N 12 117.534 117.534 121.806 -4.272 18299 60 1 . 1 1 12 12 CYS HA H 12 4.795 4.795 4.735 0.059 18299 61 1 . 1 1 12 12 CYS C C 12 174.892 174.892 176.671 -1.779 18299 62 1 . 1 1 12 12 CYS CA C 12 57.615 57.615 58.151 -0.536 18299 63 1 . 1 1 12 12 CYS CB C 12 29.481 29.481 27.481 2.000 18299 64 1 . 1 1 12 12 CYS H H 12 8.183 8.183 8.263 -0.080 18299 65 1 . 1 1 13 13 GLY N N 13 110.516 110.516 111.255 -0.739 18299 66 1 . 1 1 13 13 GLY C C 13 175.328 175.328 176.196 -0.868 18299 67 1 . 1 1 13 13 GLY CA C 13 46.581 46.581 47.769 -1.188 18299 68 1 . 1 1 13 13 GLY H H 13 8.737 8.737 8.342 0.395 18299 69 1 . 1 1 14 14 GLY N N 14 110.521 110.521 108.624 1.897 18299 70 1 . 1 1 14 14 GLY C C 14 175.741 175.741 175.763 -0.022 18299 71 1 . 1 1 14 14 GLY CA C 14 46.006 46.006 46.803 -0.797 18299 72 1 . 1 1 14 14 GLY H H 14 8.677 8.677 8.384 0.293 18299 73 1 . 1 1 15 15 CYS N N 15 121.304 121.304 120.354 0.950 18299 74 1 . 1 1 15 15 CYS HA H 15 4.363 4.363 4.429 -0.066 18299 75 1 . 1 1 15 15 CYS C C 15 176.557 176.557 176.525 0.032 18299 76 1 . 1 1 15 15 CYS CA C 15 61.356 61.356 60.472 0.884 18299 77 1 . 1 1 15 15 CYS CB C 15 28.522 28.522 27.319 1.203 18299 78 1 . 1 1 15 15 CYS H H 15 7.853 7.853 8.340 -0.487 18299 79 1 . 1 1 16 16 ALA N N 16 121.907 121.907 122.936 -1.029 18299 80 1 . 1 1 16 16 ALA HA H 16 4.022 4.022 4.085 -0.063 18299 81 1 . 1 1 16 16 ALA C C 16 180.089 180.089 179.185 0.904 18299 82 1 . 1 1 16 16 ALA CA C 16 55.794 55.794 55.048 0.746 18299 83 1 . 1 1 16 16 ALA CB C 16 18.282 18.282 18.066 0.216 18299 84 1 . 1 1 16 16 ALA H H 16 8.196 8.196 8.693 -0.497 18299 85 1 . 1 1 17 17 GLU N N 17 118.976 118.976 118.923 0.053 18299 86 1 . 1 1 17 17 GLU HA H 17 4.065 4.065 4.027 0.038 18299 87 1 . 1 1 17 17 GLU C C 17 178.541 178.541 178.342 0.199 18299 88 1 . 1 1 17 17 GLU CA C 17 59.680 59.680 59.324 0.356 18299 89 1 . 1 1 17 17 GLU CB C 17 29.181 29.181 29.370 -0.189 18299 90 1 . 1 1 17 17 GLU H H 17 8.518 8.518 7.879 0.639 18299 91 1 . 1 1 18 18 ALA N N 18 122.909 122.909 121.565 1.344 18299 92 1 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.150 -0.061 18299 93 1 . 1 1 18 18 ALA C C 18 179.665 179.665 179.929 -0.264 18299 94 1 . 1 1 18 18 ALA CA C 18 55.084 55.084 54.627 0.457 18299 95 1 . 1 1 18 18 ALA CB C 18 18.145 18.145 18.264 -0.119 18299 96 1 . 1 1 18 18 ALA H H 18 7.863 7.863 7.393 0.470 18299 97 1 . 1 1 19 19 VAL N N 19 118.050 118.050 118.796 -0.746 18299 98 1 . 1 1 19 19 VAL HA H 19 3.297 3.297 3.606 -0.309 18299 99 1 . 1 1 19 19 VAL C C 19 176.602 176.602 178.072 -1.470 18299 100 1 . 1 1 19 19 VAL CA C 19 66.301 66.301 65.974 0.327 18299 101 1 . 1 1 19 19 VAL CB C 19 31.471 31.471 31.324 0.147 18299 102 1 . 1 1 19 19 VAL H H 19 7.989 7.989 8.078 -0.089 18299 103 1 . 1 1 20 20 SER N N 20 113.425 113.425 115.224 -1.799 18299 104 1 . 1 1 20 20 SER HA H 20 4.086 4.086 4.095 -0.009 18299 105 1 . 1 1 20 20 SER C C 20 175.600 175.600 176.669 -1.069 18299 106 1 . 1 1 20 20 SER CA C 20 62.064 62.064 61.583 0.481 18299 107 1 . 1 1 20 20 SER CB C 20 62.443 62.443 62.815 -0.372 18299 108 1 . 1 1 20 20 SER H H 20 7.808 7.808 7.810 -0.002 18299 109 1 . 1 1 21 21 ARG N N 21 119.858 119.858 121.563 -1.705 18299 110 1 . 1 1 21 21 ARG HA H 21 4.004 4.004 3.958 0.046 18299 111 1 . 1 1 21 21 ARG C C 21 180.231 180.231 178.421 1.810 18299 112 1 . 1 1 21 21 ARG CA C 21 60.070 60.070 59.022 1.048 18299 113 1 . 1 1 21 21 ARG CB C 21 30.476 30.476 29.976 0.500 18299 114 1 . 1 1 21 21 ARG H H 21 8.086 8.086 7.483 0.603 18299 115 1 . 1 1 22 22 VAL N N 22 112.224 112.224 119.235 -7.011 18299 116 1 . 1 1 22 22 VAL HA H 22 4.022 4.022 3.720 0.302 18299 117 1 . 1 1 22 22 VAL C C 22 179.211 179.211 177.261 1.950 18299 118 1 . 1 1 22 22 VAL CA C 22 64.946 64.946 65.137 -0.191 18299 119 1 . 1 1 22 22 VAL CB C 22 30.663 30.663 31.149 -0.486 18299 120 1 . 1 1 22 22 VAL H H 22 7.943 7.943 7.566 0.377 18299 121 1 . 1 1 23 23 LEU N N 23 122.146 122.146 121.769 0.377 18299 122 1 . 1 1 23 23 LEU HA H 23 3.986 3.986 3.971 0.015 18299 123 1 . 1 1 23 23 LEU C C 23 178.347 178.347 178.011 0.336 18299 124 1 . 1 1 23 23 LEU CA C 23 57.249 57.249 57.566 -0.317 18299 125 1 . 1 1 23 23 LEU CB C 23 40.850 40.850 41.374 -0.524 18299 126 1 . 1 1 23 23 LEU H H 23 7.692 7.692 7.943 -0.251 18299 127 1 . 1 1 24 24 ASN N N 24 118.578 118.578 116.783 1.795 18299 128 1 . 1 1 24 24 ASN HA H 24 4.529 4.529 4.321 0.208 18299 129 1 . 1 1 24 24 ASN C C 24 178.060 178.060 176.794 1.266 18299 130 1 . 1 1 24 24 ASN CA C 24 55.606 55.606 56.151 -0.545 18299 131 1 . 1 1 24 24 ASN CB C 24 37.192 37.192 38.148 -0.956 18299 132 1 . 1 1 24 24 ASN H H 24 8.683 8.683 7.965 0.718 18299 133 1 . 1 1 25 25 LYS N N 25 118.395 118.395 119.223 -0.828 18299 134 1 . 1 1 25 25 LYS HA H 25 4.064 4.064 4.063 0.001 18299 135 1 . 1 1 25 25 LYS C C 25 177.770 177.770 178.423 -0.653 18299 136 1 . 1 1 25 25 LYS CA C 25 58.245 58.245 58.461 -0.216 18299 137 1 . 1 1 25 25 LYS CB C 25 32.186 32.186 32.285 -0.099 18299 138 1 . 1 1 25 25 LYS H H 25 7.469 7.469 7.499 -0.030 18299 139 1 . 1 1 26 26 LEU N N 26 121.105 121.105 118.521 2.584 18299 140 1 . 1 1 26 26 LEU HA H 26 4.091 4.091 4.240 -0.149 18299 141 1 . 1 1 26 26 LEU C C 26 178.609 178.609 178.090 0.519 18299 142 1 . 1 1 26 26 LEU CA C 26 57.742 57.742 56.477 1.265 18299 143 1 . 1 1 26 26 LEU CB C 26 42.191 42.191 41.990 0.201 18299 144 1 . 1 1 26 26 LEU H H 26 7.209 7.209 7.605 -0.396 18299 145 1 . 1 1 27 27 GLY N N 27 104.036 104.036 103.937 0.099 18299 146 1 . 1 1 27 27 GLY C C 27 173.508 173.508 174.994 -1.486 18299 147 1 . 1 1 27 27 GLY CA C 27 44.233 44.233 45.076 -0.843 18299 148 1 . 1 1 27 27 GLY H H 27 7.691 7.691 8.311 -0.620 18299 149 1 . 1 1 28 28 GLY N N 28 106.538 106.538 108.856 -2.318 18299 150 1 . 1 1 28 28 GLY C C 28 175.737 175.737 174.116 1.621 18299 151 1 . 1 1 28 28 GLY CA C 28 47.618 47.618 45.989 1.629 18299 152 1 . 1 1 28 28 GLY H H 28 8.603 8.603 7.786 0.817 18299 153 1 . 1 1 29 29 VAL N N 29 112.116 112.116 114.408 -2.292 18299 154 1 . 1 1 29 29 VAL HA H 29 4.949 4.949 4.517 0.432 18299 155 1 . 1 1 29 29 VAL C C 29 174.487 174.487 175.306 -0.819 18299 156 1 . 1 1 29 29 VAL CA C 29 59.738 59.738 59.125 0.613 18299 157 1 . 1 1 29 29 VAL CB C 29 36.514 36.514 34.017 2.497 18299 158 1 . 1 1 29 29 VAL H H 29 7.974 7.974 7.331 0.643 18299 159 1 . 1 1 30 30 LYS N N 30 124.568 124.568 121.459 3.109 18299 160 1 . 1 1 30 30 LYS HA H 30 4.648 4.648 4.342 0.306 18299 161 1 . 1 1 30 30 LYS C C 30 174.964 174.964 175.451 -0.487 18299 162 1 . 1 1 30 30 LYS CA C 30 56.003 56.003 57.284 -1.281 18299 163 1 . 1 1 30 30 LYS CB C 30 34.639 34.639 32.880 1.759 18299 164 1 . 1 1 30 30 LYS H H 30 8.370 8.370 8.634 -0.264 18299 165 1 . 1 1 31 31 TYR N N 31 121.504 121.504 119.638 1.866 18299 166 1 . 1 1 31 31 TYR HA H 31 5.984 5.984 5.282 0.702 18299 167 1 . 1 1 31 31 TYR C C 31 172.758 172.758 174.040 -1.282 18299 168 1 . 1 1 31 31 TYR CA C 31 55.124 55.124 55.428 -0.304 18299 169 1 . 1 1 31 31 TYR CB C 31 42.781 42.781 41.743 1.038 18299 170 1 . 1 1 31 31 TYR H H 31 8.531 8.531 8.119 0.412 18299 171 1 . 1 1 32 32 ASP N N 32 119.262 119.262 121.294 -2.032 18299 172 1 . 1 1 32 32 ASP HA H 32 4.992 4.992 4.771 0.221 18299 173 1 . 1 1 32 32 ASP C C 32 174.839 174.839 174.337 0.502 18299 174 1 . 1 1 32 32 ASP CA C 32 53.283 53.283 53.764 -0.481 18299 175 1 . 1 1 32 32 ASP CB C 32 44.851 44.851 44.503 0.348 18299 176 1 . 1 1 32 32 ASP H H 32 8.750 8.750 8.511 0.239 18299 177 1 . 1 1 33 33 ILE N N 33 124.951 124.951 120.705 4.246 18299 178 1 . 1 1 33 33 ILE HA H 33 4.359 4.359 4.525 -0.166 18299 179 1 . 1 1 33 33 ILE C C 33 173.855 173.855 174.749 -0.894 18299 180 1 . 1 1 33 33 ILE CA C 33 61.932 61.932 59.985 1.947 18299 181 1 . 1 1 33 33 ILE CB C 33 39.634 39.634 39.487 0.147 18299 182 1 . 1 1 33 33 ILE H H 33 9.001 9.001 8.396 0.605 18299 183 1 . 1 1 34 34 ASP N N 34 130.202 130.202 128.434 1.768 18299 184 1 . 1 1 34 34 ASP HA H 34 4.975 4.975 5.012 -0.037 18299 185 1 . 1 1 34 34 ASP C C 34 175.761 175.761 175.914 -0.153 18299 186 1 . 1 1 34 34 ASP CA C 34 51.809 51.809 53.205 -1.396 18299 187 1 . 1 1 34 34 ASP CB C 34 41.241 41.241 41.600 -0.359 18299 188 1 . 1 1 34 34 ASP H H 34 9.033 9.033 8.402 0.631 18299 189 1 . 1 1 35 35 LEU N N 35 123.830 123.830 125.484 -1.654 18299 190 1 . 1 1 35 35 LEU HA H 35 4.310 4.310 4.262 0.048 18299 191 1 . 1 1 35 35 LEU CA C 35 59.862 59.862 59.365 0.497 18299 192 1 . 1 1 35 35 LEU CB C 35 39.352 39.352 40.262 -0.910 18299 193 1 . 1 1 35 35 LEU H H 35 8.888 8.888 8.734 0.154 18299 194 1 . 1 1 36 36 PRO HA H 36 4.296 4.296 4.253 0.043 18299 195 1 . 1 1 36 36 PRO C C 36 177.959 177.959 177.617 0.342 18299 196 1 . 1 1 36 36 PRO CA C 36 66.386 66.386 65.383 1.002 18299 197 1 . 1 1 36 36 PRO CB C 36 31.493 31.493 31.178 0.315 18299 198 1 . 1 1 37 37 ASN N N 37 110.308 110.308 113.352 -3.044 18299 199 1 . 1 1 37 37 ASN HA H 37 4.899 4.899 4.768 0.131 18299 200 1 . 1 1 37 37 ASN C C 37 172.880 172.880 174.562 -1.682 18299 201 1 . 1 1 37 37 ASN CA C 37 52.608 52.608 52.827 -0.219 18299 202 1 . 1 1 37 37 ASN CB C 37 38.545 38.545 39.615 -1.070 18299 203 1 . 1 1 37 37 ASN H H 37 7.255 7.255 7.684 -0.429 18299 204 1 . 1 1 38 38 LYS N N 38 119.648 119.648 116.726 2.922 18299 205 1 . 1 1 38 38 LYS HA H 38 3.832 3.832 3.909 -0.077 18299 206 1 . 1 1 38 38 LYS C C 38 175.375 175.375 174.861 0.514 18299 207 1 . 1 1 38 38 LYS CA C 38 58.228 58.228 57.377 0.851 18299 208 1 . 1 1 38 38 LYS CB C 38 29.452 29.452 29.634 -0.182 18299 209 1 . 1 1 38 38 LYS H H 38 8.328 8.328 7.975 0.353 18299 210 1 . 1 1 39 39 LYS N N 39 116.950 116.950 116.681 0.269 18299 211 1 . 1 1 39 39 LYS HA H 39 5.654 5.654 4.653 1.002 18299 212 1 . 1 1 39 39 LYS C C 39 174.797 174.797 174.230 0.567 18299 213 1 . 1 1 39 39 LYS CA C 39 54.904 54.904 54.918 -0.014 18299 214 1 . 1 1 39 39 LYS CB C 39 37.619 37.619 37.043 0.576 18299 215 1 . 1 1 39 39 LYS H H 39 8.203 8.203 7.497 0.706 18299 216 1 . 1 1 40 40 VAL N N 40 121.279 121.279 120.627 0.652 18299 217 1 . 1 1 40 40 VAL HA H 40 4.974 4.974 4.770 0.204 18299 218 1 . 1 1 40 40 VAL C C 40 173.992 173.992 174.453 -0.461 18299 219 1 . 1 1 40 40 VAL CA C 40 60.691 60.691 60.879 -0.188 18299 220 1 . 1 1 40 40 VAL CB C 40 35.817 35.817 34.368 1.449 18299 221 1 . 1 1 40 40 VAL H H 40 9.115 9.115 8.145 0.970 18299 222 1 . 1 1 41 41 CYS N N 41 126.779 126.779 126.708 0.071 18299 223 1 . 1 1 41 41 CYS HA H 41 5.635 5.635 5.007 0.628 18299 224 1 . 1 1 41 41 CYS C C 41 174.839 174.839 173.372 1.467 18299 225 1 . 1 1 41 41 CYS CA C 41 56.971 56.971 57.242 -0.271 18299 226 1 . 1 1 41 41 CYS CB C 41 29.139 29.139 28.528 0.611 18299 227 1 . 1 1 41 41 CYS H H 41 8.767 8.767 8.540 0.227 18299 228 1 . 1 1 42 42 ILE N N 42 125.941 125.941 126.645 -0.704 18299 229 1 . 1 1 42 42 ILE HA H 42 4.979 4.979 4.840 0.139 18299 230 1 . 1 1 42 42 ILE C C 42 174.113 174.113 173.405 0.708 18299 231 1 . 1 1 42 42 ILE CA C 42 61.229 61.229 59.417 1.812 18299 232 1 . 1 1 42 42 ILE CB C 42 42.439 42.439 42.042 0.397 18299 233 1 . 1 1 42 42 ILE H H 42 9.697 9.697 8.726 0.971 18299 234 1 . 1 1 43 43 GLU N N 43 130.488 130.488 129.419 1.069 18299 235 1 . 1 1 43 43 GLU HA H 43 5.456 5.456 4.767 0.689 18299 236 1 . 1 1 43 43 GLU C C 43 176.185 176.185 174.579 1.606 18299 237 1 . 1 1 43 43 GLU CA C 43 54.885 54.885 55.281 -0.397 18299 238 1 . 1 1 43 43 GLU CB C 43 32.026 32.026 31.655 0.371 18299 239 1 . 1 1 43 43 GLU H H 43 9.510 9.510 8.470 1.040 18299 240 1 . 1 1 44 44 SER N N 44 119.391 119.391 120.481 -1.090 18299 241 1 . 1 1 44 44 SER HA H 44 4.868 4.868 4.744 0.124 18299 242 1 . 1 1 44 44 SER C C 44 173.026 173.026 174.654 -1.628 18299 243 1 . 1 1 44 44 SER CA C 44 59.104 59.104 56.450 2.654 18299 244 1 . 1 1 44 44 SER CB C 44 66.159 66.159 65.851 0.308 18299 245 1 . 1 1 44 44 SER H H 44 8.681 8.681 8.353 0.328 18299 246 1 . 1 1 45 45 GLU N N 45 121.420 121.420 121.532 -0.112 18299 247 1 . 1 1 45 45 GLU HA H 45 4.554 4.554 4.170 0.384 18299 248 1 . 1 1 45 45 GLU C C 45 177.473 177.473 177.012 0.461 18299 249 1 . 1 1 45 45 GLU CA C 45 56.207 56.207 58.687 -2.480 18299 250 1 . 1 1 45 45 GLU CB C 45 29.851 29.851 29.689 0.162 18299 251 1 . 1 1 45 45 GLU H H 45 9.026 9.026 8.820 0.206 18299 252 1 . 1 1 46 46 HIS N N 46 119.653 119.653 117.208 2.445 18299 253 1 . 1 1 46 46 HIS HA H 46 4.643 4.643 4.667 -0.024 18299 254 1 . 1 1 46 46 HIS C C 46 175.514 175.514 174.738 0.776 18299 255 1 . 1 1 46 46 HIS CA C 46 56.915 56.915 56.391 0.524 18299 256 1 . 1 1 46 46 HIS CB C 46 31.725 31.725 30.734 0.991 18299 257 1 . 1 1 46 46 HIS H H 46 8.423 8.423 7.909 0.514 18299 258 1 . 1 1 47 47 SER N N 47 116.562 116.562 114.788 1.774 18299 259 1 . 1 1 47 47 SER HA H 47 4.349 4.349 4.081 0.268 18299 260 1 . 1 1 47 47 SER C C 47 174.638 174.638 173.852 0.786 18299 261 1 . 1 1 47 47 SER CA C 47 57.438 57.438 58.934 -1.496 18299 262 1 . 1 1 47 47 SER CB C 47 65.022 65.022 62.723 2.299 18299 263 1 . 1 1 47 47 SER H H 47 9.093 9.093 8.317 0.776 18299 264 1 . 1 1 48 48 MET N N 48 121.402 121.402 120.428 0.974 18299 265 1 . 1 1 48 48 MET HA H 48 3.412 3.412 4.275 -0.863 18299 266 1 . 1 1 48 48 MET C C 48 177.797 177.797 174.148 3.649 18299 267 1 . 1 1 48 48 MET CA C 48 60.298 60.298 56.613 3.685 18299 268 1 . 1 1 48 48 MET CB C 48 30.776 30.776 32.079 -1.303 18299 269 1 . 1 1 48 48 MET H H 48 8.920 8.920 8.529 0.391 18299 270 1 . 1 1 49 49 ASP N N 49 116.251 116.251 116.467 -0.216 18299 271 1 . 1 1 49 49 ASP HA H 49 4.202 4.202 4.541 -0.339 18299 272 1 . 1 1 49 49 ASP C C 49 179.291 179.291 176.873 2.418 18299 273 1 . 1 1 49 49 ASP CA C 49 57.555 57.555 55.267 2.288 18299 274 1 . 1 1 49 49 ASP CB C 49 40.852 40.852 40.342 0.510 18299 275 1 . 1 1 49 49 ASP H H 49 8.345 8.345 8.111 0.234 18299 276 1 . 1 1 50 50 THR N N 50 120.023 120.023 116.223 3.800 18299 277 1 . 1 1 50 50 THR HA H 50 4.305 4.305 4.149 0.156 18299 278 1 . 1 1 50 50 THR C C 50 177.416 177.416 176.057 1.358 18299 279 1 . 1 1 50 50 THR CA C 50 66.392 66.392 64.853 1.539 18299 280 1 . 1 1 50 50 THR CB C 50 68.452 68.452 68.624 -0.172 18299 281 1 . 1 1 50 50 THR H H 50 8.019 8.019 8.188 -0.169 18299 282 1 . 1 1 51 51 LEU N N 51 124.562 124.562 120.689 3.873 18299 283 1 . 1 1 51 51 LEU HA H 51 3.508 3.508 3.968 -0.460 18299 284 1 . 1 1 51 51 LEU C C 51 177.386 177.386 178.691 -1.305 18299 285 1 . 1 1 51 51 LEU CA C 51 58.463 58.463 58.127 0.336 18299 286 1 . 1 1 51 51 LEU CB C 51 42.368 42.368 40.233 2.135 18299 287 1 . 1 1 51 51 LEU H H 51 8.043 8.043 7.825 0.218 18299 288 1 . 1 1 52 52 LEU N N 52 120.718 120.718 116.660 4.058 18299 289 1 . 1 1 52 52 LEU HA H 52 3.546 3.546 3.958 -0.412 18299 290 1 . 1 1 52 52 LEU C C 52 178.065 178.065 178.781 -0.716 18299 291 1 . 1 1 52 52 LEU CA C 52 58.471 58.471 57.853 0.618 18299 292 1 . 1 1 52 52 LEU CB C 52 42.701 42.701 40.362 2.339 18299 293 1 . 1 1 52 52 LEU H H 52 8.993 8.993 7.646 1.347 18299 294 1 . 1 1 53 53 ALA N N 53 118.641 118.641 121.523 -2.882 18299 295 1 . 1 1 53 53 ALA HA H 53 3.913 3.913 3.947 -0.034 18299 296 1 . 1 1 53 53 ALA C C 53 180.677 180.677 179.644 1.033 18299 297 1 . 1 1 53 53 ALA CA C 53 55.035 55.035 55.123 -0.088 18299 298 1 . 1 1 53 53 ALA CB C 53 18.169 18.169 18.082 0.087 18299 299 1 . 1 1 53 53 ALA H H 53 7.859 7.859 7.731 0.128 18299 300 1 . 1 1 54 54 THR N N 54 114.407 114.407 114.944 -0.537 18299 301 1 . 1 1 54 54 THR HA H 54 3.662 3.662 4.014 -0.352 18299 302 1 . 1 1 54 54 THR C C 54 175.694 175.694 176.612 -0.918 18299 303 1 . 1 1 54 54 THR CA C 54 67.449 67.449 66.238 1.210 18299 304 1 . 1 1 54 54 THR CB C 54 68.226 68.226 68.810 -0.584 18299 305 1 . 1 1 54 54 THR H H 54 7.688 7.688 7.537 0.151 18299 306 1 . 1 1 55 55 LEU N N 55 119.491 119.491 121.369 -1.878 18299 307 1 . 1 1 55 55 LEU HA H 55 3.802 3.802 4.025 -0.223 18299 308 1 . 1 1 55 55 LEU C C 55 179.660 179.660 178.775 0.885 18299 309 1 . 1 1 55 55 LEU CA C 55 57.851 57.851 57.788 0.063 18299 310 1 . 1 1 55 55 LEU CB C 55 43.007 43.007 41.613 1.394 18299 311 1 . 1 1 55 55 LEU H H 55 8.104 8.104 8.433 -0.329 18299 312 1 . 1 1 56 56 LYS N N 56 119.317 119.317 118.034 1.283 18299 313 1 . 1 1 56 56 LYS HA H 56 3.969 3.969 4.122 -0.153 18299 314 1 . 1 1 56 56 LYS C C 56 179.227 179.227 178.989 0.238 18299 315 1 . 1 1 56 56 LYS CA C 56 59.776 59.776 58.207 1.569 18299 316 1 . 1 1 56 56 LYS CB C 56 32.222 32.222 31.974 0.248 18299 317 1 . 1 1 56 56 LYS H H 56 8.333 8.333 8.304 0.028 18299 318 1 . 1 1 57 57 LYS N N 57 120.188 120.188 119.555 0.633 18299 319 1 . 1 1 57 57 LYS HA H 57 4.162 4.162 4.052 0.110 18299 320 1 . 1 1 57 57 LYS C C 57 178.128 178.128 177.968 0.160 18299 321 1 . 1 1 57 57 LYS CA C 57 59.083 59.083 58.976 0.107 18299 322 1 . 1 1 57 57 LYS CB C 57 32.452 32.452 32.014 0.438 18299 323 1 . 1 1 57 57 LYS H H 57 7.646 7.646 7.542 0.104 18299 324 1 . 1 1 58 58 THR N N 58 106.563 106.563 109.766 -3.203 18299 325 1 . 1 1 58 58 THR HA H 58 4.277 4.277 4.371 -0.094 18299 326 1 . 1 1 58 58 THR C C 58 175.933 175.933 175.239 0.694 18299 327 1 . 1 1 58 58 THR CA C 58 63.742 63.742 62.348 1.394 18299 328 1 . 1 1 58 58 THR CB C 58 71.108 71.108 69.558 1.550 18299 329 1 . 1 1 58 58 THR H H 58 7.483 7.483 7.730 -0.247 18299 330 1 . 1 1 59 59 GLY N N 59 108.569 108.569 109.753 -1.184 18299 331 1 . 1 1 59 59 GLY C C 59 173.171 173.171 174.048 -0.877 18299 332 1 . 1 1 59 59 GLY CA C 59 44.991 44.991 45.075 -0.084 18299 333 1 . 1 1 59 59 GLY H H 59 7.774 7.774 7.870 -0.096 18299 334 1 . 1 1 60 60 ALA N N 60 122.420 122.420 123.185 -0.765 18299 335 1 . 1 1 60 60 ALA HA H 60 4.506 4.506 4.439 0.067 18299 336 1 . 1 1 60 60 ALA C C 60 177.155 177.155 177.286 -0.131 18299 337 1 . 1 1 60 60 ALA CA C 60 51.055 51.055 51.632 -0.577 18299 338 1 . 1 1 60 60 ALA CB C 60 20.308 20.308 20.018 0.290 18299 339 1 . 1 1 60 60 ALA H H 60 7.524 7.524 7.358 0.166 18299 340 1 . 1 1 61 61 THR N N 61 117.690 117.690 116.488 1.202 18299 341 1 . 1 1 61 61 THR HA H 61 4.321 4.321 4.218 0.103 18299 342 1 . 1 1 61 61 THR C C 61 174.635 174.635 173.767 0.868 18299 343 1 . 1 1 61 61 THR CA C 61 63.922 63.922 63.004 0.918 18299 344 1 . 1 1 61 61 THR CB C 61 68.904 68.904 69.257 -0.353 18299 345 1 . 1 1 61 61 THR H H 61 8.491 8.491 8.445 0.046 18299 346 1 . 1 1 62 62 VAL N N 62 129.030 129.030 124.383 4.647 18299 347 1 . 1 1 62 62 VAL HA H 62 5.314 5.314 4.609 0.705 18299 348 1 . 1 1 62 62 VAL C C 62 174.947 174.947 175.090 -0.143 18299 349 1 . 1 1 62 62 VAL CA C 62 60.315 60.315 60.691 -0.376 18299 350 1 . 1 1 62 62 VAL CB C 62 35.664 35.664 34.526 1.138 18299 351 1 . 1 1 62 62 VAL H H 62 8.709 8.709 8.257 0.452 18299 352 1 . 1 1 63 63 SER N N 63 119.588 119.588 123.014 -3.426 18299 353 1 . 1 1 63 63 SER HA H 63 4.865 4.865 4.785 0.080 18299 354 1 . 1 1 63 63 SER C C 63 173.019 173.019 172.445 0.574 18299 355 1 . 1 1 63 63 SER CA C 63 57.347 57.347 56.979 0.368 18299 356 1 . 1 1 63 63 SER CB C 63 65.605 65.605 65.220 0.385 18299 357 1 . 1 1 63 63 SER H H 63 8.988 8.988 8.521 0.467 18299 358 1 . 1 1 64 64 TYR N N 64 125.400 125.400 126.996 -1.596 18299 359 1 . 1 1 64 64 TYR HA H 64 4.579 4.579 3.476 1.103 18299 360 1 . 1 1 64 64 TYR C C 64 175.523 175.523 174.446 1.077 18299 361 1 . 1 1 64 64 TYR CA C 64 57.454 57.454 57.014 0.440 18299 362 1 . 1 1 64 64 TYR CB C 64 39.022 39.022 38.204 0.818 18299 363 1 . 1 1 64 64 TYR H H 64 9.391 9.391 8.737 0.654 18299 364 1 . 1 1 65 65 LEU N N 65 128.500 128.500 127.459 1.041 18299 365 1 . 1 1 65 65 LEU HA H 65 4.319 4.319 4.138 0.181 18299 366 1 . 1 1 65 65 LEU C C 65 176.473 176.473 177.166 -0.693 18299 367 1 . 1 1 65 65 LEU CA C 65 54.677 54.677 55.264 -0.587 18299 368 1 . 1 1 65 65 LEU CB C 65 42.058 42.058 42.528 -0.470 18299 369 1 . 1 1 65 65 LEU H H 65 8.304 8.304 8.258 0.046 18299 370 1 . 1 1 66 66 GLY N N 66 105.737 105.737 104.669 1.068 18299 371 1 . 1 1 66 66 GLY C C 66 171.330 171.330 172.028 -0.698 18299 372 1 . 1 1 66 66 GLY CA C 66 45.036 45.036 44.665 0.371 18299 373 1 . 1 1 66 66 GLY H H 66 5.977 5.977 7.495 -1.518 18299 374 1 . 1 1 67 67 LEU N N 67 120.133 120.133 120.450 -0.317 18299 375 1 . 1 1 67 67 LEU HA H 67 4.782 4.782 4.779 0.003 18299 376 1 . 1 1 67 67 LEU C C 67 177.339 177.339 176.641 0.698 18299 377 1 . 1 1 67 67 LEU CA C 67 54.376 54.376 54.008 0.368 18299 378 1 . 1 1 67 67 LEU CB C 67 43.881 43.881 44.010 -0.129 18299 379 1 . 1 1 67 67 LEU H H 67 7.947 7.947 8.446 -0.499 18299 stop_ save_