data_25542 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25542 _Entry.PDB_ID 2N10 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 25542 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 10 10 THR N N 10 114.478 114.478 115.077 -0.599 25542 2 1 1 . 1 1 10 10 THR HA H 10 4.249 4.249 4.517 -0.268 25542 3 1 1 . 1 1 10 10 THR C C 10 171.741 171.741 174.873 -3.132 25542 4 1 1 . 1 1 10 10 THR CA C 10 62.036 62.036 61.749 0.287 25542 5 1 1 . 1 1 10 10 THR CB C 10 69.784 69.784 69.454 0.330 25542 6 1 1 . 1 1 10 10 THR H H 10 8.118 8.118 8.149 -0.031 25542 7 1 1 . 1 1 11 11 LYS N N 11 124.759 124.759 122.849 1.910 25542 8 1 1 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.334 -0.163 25542 9 1 1 . 1 1 11 11 LYS C C 11 172.964 172.964 177.333 -4.369 25542 10 1 1 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.700 0.485 25542 11 1 1 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.240 -0.421 25542 12 1 1 . 1 1 11 11 LYS H H 11 8.442 8.442 8.416 0.026 25542 13 1 1 . 1 1 12 12 LYS N N 12 123.320 123.320 119.363 3.957 25542 14 1 1 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.111 0.005 25542 15 1 1 . 1 1 12 12 LYS C C 12 173.147 173.147 177.505 -4.358 25542 16 1 1 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.020 -1.712 25542 17 1 1 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.449 0.756 25542 18 1 1 . 1 1 12 12 LYS H H 12 8.239 8.239 8.437 -0.198 25542 19 1 1 . 1 1 13 13 TYR N N 13 119.413 119.413 117.716 1.697 25542 20 1 1 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.583 -0.171 25542 21 1 1 . 1 1 13 13 TYR C C 13 172.016 172.016 175.338 -3.322 25542 22 1 1 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.942 -0.564 25542 23 1 1 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.424 -0.478 25542 24 1 1 . 1 1 13 13 TYR H H 13 8.286 8.286 7.909 0.377 25542 25 1 1 . 1 1 14 14 ASP N N 14 120.647 120.647 122.549 -1.902 25542 26 1 1 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.845 -0.158 25542 27 1 1 . 1 1 14 14 ASP C C 14 173.276 173.276 175.248 -1.972 25542 28 1 1 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.453 -1.817 25542 29 1 1 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.111 -1.906 25542 30 1 1 . 1 1 14 14 ASP H H 14 8.611 8.611 8.485 0.126 25542 31 1 1 . 1 1 15 15 LEU N N 15 126.198 126.198 125.753 0.445 25542 32 1 1 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.698 -0.965 25542 33 1 1 . 1 1 15 15 LEU C C 15 175.592 175.592 177.283 -1.691 25542 34 1 1 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.091 -0.716 25542 35 1 1 . 1 1 15 15 LEU CB C 15 39.946 39.946 40.877 -0.931 25542 36 1 1 . 1 1 15 15 LEU H H 15 8.877 8.877 8.331 0.546 25542 37 1 1 . 1 1 16 16 SER N N 16 116.464 116.464 117.391 -0.927 25542 38 1 1 . 1 1 16 16 SER HA H 16 4.142 4.142 4.154 -0.012 25542 39 1 1 . 1 1 16 16 SER C C 16 173.247 173.247 174.636 -1.389 25542 40 1 1 . 1 1 16 16 SER CA C 16 61.699 61.699 60.590 1.109 25542 41 1 1 . 1 1 16 16 SER CB C 16 62.708 62.708 63.622 -0.914 25542 42 1 1 . 1 1 16 16 SER H H 16 8.132 8.132 8.484 -0.352 25542 43 1 1 . 1 1 17 17 LYS N N 17 118.179 118.179 119.398 -1.219 25542 44 1 1 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.492 0.009 25542 45 1 1 . 1 1 17 17 LYS C C 17 175.079 175.079 175.267 -0.188 25542 46 1 1 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.257 -1.063 25542 47 1 1 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.728 -1.675 25542 48 1 1 . 1 1 17 17 LYS H H 17 8.496 8.496 8.014 0.482 25542 49 1 1 . 1 1 18 18 TRP N N 18 121.857 121.857 123.774 -1.917 25542 50 1 1 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.022 -0.430 25542 51 1 1 . 1 1 18 18 TRP C C 18 174.862 174.862 175.193 -0.331 25542 52 1 1 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.113 3.072 25542 53 1 1 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.178 -3.546 25542 54 1 1 . 1 1 18 18 TRP H H 18 7.830 7.830 8.485 -0.655 25542 55 1 1 . 1 1 19 19 LYS N N 19 123.014 123.014 120.660 2.354 25542 56 1 1 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.151 0.394 25542 57 1 1 . 1 1 19 19 LYS C C 19 175.094 175.094 177.506 -2.412 25542 58 1 1 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.309 0.960 25542 59 1 1 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.265 -0.174 25542 60 1 1 . 1 1 19 19 LYS H H 19 9.533 9.533 7.998 1.535 25542 61 1 1 . 1 1 20 20 TYR N N 20 124.553 124.553 120.023 4.530 25542 62 1 1 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.196 -0.181 25542 63 1 1 . 1 1 20 20 TYR C C 20 174.531 174.531 178.058 -3.527 25542 64 1 1 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.172 0.965 25542 65 1 1 . 1 1 20 20 TYR CB C 20 38.114 38.114 37.029 1.085 25542 66 1 1 . 1 1 20 20 TYR H H 20 9.400 9.400 8.006 1.394 25542 67 1 1 . 1 1 21 21 ALA N N 21 117.974 117.974 122.749 -4.775 25542 68 1 1 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.138 -0.321 25542 69 1 1 . 1 1 21 21 ALA C C 21 176.314 176.314 179.415 -3.101 25542 70 1 1 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.580 -0.227 25542 71 1 1 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.640 0.967 25542 72 1 1 . 1 1 21 21 ALA H H 21 8.991 8.991 8.576 0.415 25542 73 1 1 . 1 1 22 22 GLU N N 22 115.300 115.300 118.922 -3.622 25542 74 1 1 . 1 1 22 22 GLU HA H 22 4.107 4.107 4.020 0.087 25542 75 1 1 . 1 1 22 22 GLU C C 22 177.380 177.380 179.109 -1.729 25542 76 1 1 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.854 -0.424 25542 77 1 1 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.753 1.117 25542 78 1 1 . 1 1 22 22 GLU H H 22 6.842 6.842 8.589 -1.747 25542 79 1 1 . 1 1 23 23 LEU N N 23 122.086 122.086 122.301 -0.215 25542 80 1 1 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.209 -0.043 25542 81 1 1 . 1 1 23 23 LEU C C 23 174.830 174.830 179.278 -4.448 25542 82 1 1 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.750 -0.107 25542 83 1 1 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.124 0.987 25542 84 1 1 . 1 1 23 23 LEU H H 23 7.906 7.906 8.354 -0.448 25542 85 1 1 . 1 1 24 24 ARG N N 24 117.974 117.974 119.029 -1.055 25542 86 1 1 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.852 -0.193 25542 87 1 1 . 1 1 24 24 ARG C C 24 175.240 175.240 178.235 -2.995 25542 88 1 1 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.898 -0.868 25542 89 1 1 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.073 -0.239 25542 90 1 1 . 1 1 24 24 ARG H H 24 8.220 8.220 8.224 -0.004 25542 91 1 1 . 1 1 25 25 ASP N N 25 118.179 118.179 118.874 -0.695 25542 92 1 1 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.389 -0.003 25542 93 1 1 . 1 1 25 25 ASP C C 25 176.554 176.554 178.462 -1.908 25542 94 1 1 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.691 -0.404 25542 95 1 1 . 1 1 25 25 ASP CB C 25 40.042 40.042 41.059 -1.017 25542 96 1 1 . 1 1 25 25 ASP H H 25 8.482 8.482 8.248 0.234 25542 97 1 1 . 1 1 26 26 THR N N 26 118.385 118.385 116.432 1.953 25542 98 1 1 . 1 1 26 26 THR HA H 26 3.900 3.900 4.079 -0.179 25542 99 1 1 . 1 1 26 26 THR C C 26 173.365 173.365 177.044 -3.679 25542 100 1 1 . 1 1 26 26 THR CA C 26 67.774 67.774 66.380 1.394 25542 101 1 1 . 1 1 26 26 THR CB C 26 67.779 67.779 69.072 -1.293 25542 102 1 1 . 1 1 26 26 THR H H 26 7.930 7.930 8.556 -0.626 25542 103 1 1 . 1 1 27 27 ILE N N 27 122.497 122.497 119.521 2.976 25542 104 1 1 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.911 -0.266 25542 105 1 1 . 1 1 27 27 ILE C C 27 174.485 174.485 176.139 -1.654 25542 106 1 1 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.443 1.175 25542 107 1 1 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.154 -0.502 25542 108 1 1 . 1 1 27 27 ILE H H 27 8.145 8.145 7.965 0.180 25542 109 1 1 . 1 1 28 28 ASN N N 28 115.095 115.095 115.455 -0.360 25542 110 1 1 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.736 -0.114 25542 111 1 1 . 1 1 28 28 ASN C C 28 173.902 173.902 176.101 -2.199 25542 112 1 1 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.053 0.376 25542 113 1 1 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.757 -0.588 25542 114 1 1 . 1 1 28 28 ASN H H 28 7.700 7.700 8.078 -0.378 25542 115 1 1 . 1 1 29 29 THR N N 29 107.692 107.692 110.084 -2.392 25542 116 1 1 . 1 1 29 29 THR HA H 29 4.606 4.606 4.526 0.080 25542 117 1 1 . 1 1 29 29 THR C C 29 172.290 172.290 175.376 -3.086 25542 118 1 1 . 1 1 29 29 THR CA C 29 62.629 62.629 62.383 0.246 25542 119 1 1 . 1 1 29 29 THR CB C 29 72.232 72.232 70.222 2.011 25542 120 1 1 . 1 1 29 29 THR H H 29 7.592 7.592 8.236 -0.644 25542 121 1 1 . 1 1 30 30 SER N N 30 117.670 117.670 118.532 -0.862 25542 122 1 1 . 1 1 30 30 SER HA H 30 4.298 4.298 4.633 -0.335 25542 123 1 1 . 1 1 30 30 SER C C 30 172.473 172.473 172.873 -0.400 25542 124 1 1 . 1 1 30 30 SER CA C 30 59.633 59.633 58.674 0.959 25542 125 1 1 . 1 1 30 30 SER CB C 30 64.278 64.278 64.461 -0.183 25542 126 1 1 . 1 1 30 30 SER H H 30 8.701 8.701 8.002 0.699 25542 127 1 1 . 1 1 31 31 CYS N N 31 121.263 121.263 119.520 1.743 25542 128 1 1 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.625 0.156 25542 129 1 1 . 1 1 31 31 CYS C C 31 170.861 170.861 172.443 -1.582 25542 130 1 1 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.070 -1.665 25542 131 1 1 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.208 -0.905 25542 132 1 1 . 1 1 31 31 CYS H H 31 8.719 8.719 8.428 0.291 25542 133 1 1 . 1 1 32 32 ASP N N 32 124.542 124.542 127.089 -2.547 25542 134 1 1 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.750 -0.128 25542 135 1 1 . 1 1 32 32 ASP C C 32 172.541 172.541 176.316 -3.775 25542 136 1 1 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.897 -0.743 25542 137 1 1 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.998 -1.757 25542 138 1 1 . 1 1 32 32 ASP H H 32 8.551 8.551 8.326 0.225 25542 139 1 1 . 1 1 33 33 ILE N N 33 125.170 125.170 121.674 3.496 25542 140 1 1 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.565 0.129 25542 141 1 1 . 1 1 33 33 ILE C C 33 175.743 175.743 176.902 -1.159 25542 142 1 1 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.325 0.411 25542 143 1 1 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.797 0.018 25542 144 1 1 . 1 1 33 33 ILE H H 33 8.464 8.464 8.582 -0.118 25542 145 1 1 . 1 1 34 34 GLU N N 34 121.058 121.058 119.289 1.769 25542 146 1 1 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.777 0.365 25542 147 1 1 . 1 1 34 34 GLU C C 34 176.406 176.406 178.303 -1.897 25542 148 1 1 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.564 0.547 25542 149 1 1 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.648 1.075 25542 150 1 1 . 1 1 34 34 GLU H H 34 8.186 8.186 7.749 0.437 25542 151 1 1 . 1 1 35 35 LEU N N 35 124.965 124.965 121.228 3.737 25542 152 1 1 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.971 -0.336 25542 153 1 1 . 1 1 35 35 LEU C C 35 176.399 176.399 178.906 -2.507 25542 154 1 1 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.464 -0.435 25542 155 1 1 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.204 -0.222 25542 156 1 1 . 1 1 35 35 LEU H H 35 7.849 7.849 7.939 -0.090 25542 157 1 1 . 1 1 36 36 LEU N N 36 120.453 120.453 118.004 2.449 25542 158 1 1 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.785 -0.106 25542 159 1 1 . 1 1 36 36 LEU C C 36 176.280 176.280 178.892 -2.612 25542 160 1 1 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.047 0.688 25542 161 1 1 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.715 1.754 25542 162 1 1 . 1 1 36 36 LEU H H 36 8.867 8.867 8.695 0.171 25542 163 1 1 . 1 1 37 37 ALA N N 37 120.030 120.030 121.937 -1.907 25542 164 1 1 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.784 0.224 25542 165 1 1 . 1 1 37 37 ALA C C 37 177.606 177.606 179.031 -1.425 25542 166 1 1 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.027 0.074 25542 167 1 1 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.786 -0.145 25542 168 1 1 . 1 1 37 37 ALA H H 37 7.624 7.624 7.865 -0.241 25542 169 1 1 . 1 1 38 38 ALA N N 38 121.675 121.675 120.869 0.806 25542 170 1 1 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.881 0.229 25542 171 1 1 . 1 1 38 38 ALA C C 38 178.452 178.452 178.696 -0.244 25542 172 1 1 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.872 -0.043 25542 173 1 1 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.153 -0.145 25542 174 1 1 . 1 1 38 38 ALA H H 38 7.681 7.681 8.360 -0.679 25542 175 1 1 . 1 1 39 39 CYS N N 39 119.413 119.413 118.010 1.403 25542 176 1 1 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.961 -0.216 25542 177 1 1 . 1 1 39 39 CYS C C 39 173.860 173.860 177.229 -3.369 25542 178 1 1 . 1 1 39 39 CYS CA C 39 63.819 63.819 62.383 1.436 25542 179 1 1 . 1 1 39 39 CYS CB C 39 27.310 27.310 26.327 0.983 25542 180 1 1 . 1 1 39 39 CYS H H 39 8.806 8.806 8.195 0.611 25542 181 1 1 . 1 1 40 40 ARG N N 40 119.824 119.824 119.267 0.557 25542 182 1 1 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.934 -0.015 25542 183 1 1 . 1 1 40 40 ARG C C 40 176.108 176.108 178.712 -2.604 25542 184 1 1 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.194 0.338 25542 185 1 1 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.008 -0.161 25542 186 1 1 . 1 1 40 40 ARG H H 40 8.382 8.382 8.559 -0.177 25542 187 1 1 . 1 1 41 41 GLU N N 41 119.618 119.618 119.023 0.595 25542 188 1 1 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.029 0.058 25542 189 1 1 . 1 1 41 41 GLU C C 41 171.786 171.786 179.391 -7.605 25542 190 1 1 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.515 -0.315 25542 191 1 1 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.089 0.188 25542 192 1 1 . 1 1 41 41 GLU H H 41 7.949 7.949 8.250 -0.301 25542 193 1 1 . 1 1 42 42 GLU N N 42 121.469 121.469 119.993 1.476 25542 194 1 1 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.143 0.167 25542 195 1 1 . 1 1 42 42 GLU C C 42 173.408 173.408 179.159 -5.751 25542 196 1 1 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.144 -0.885 25542 197 1 1 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.221 -1.079 25542 198 1 1 . 1 1 42 42 GLU H H 42 7.980 7.980 8.223 -0.243 25542 199 1 1 . 1 1 43 43 PHE N N 43 119.824 119.824 120.854 -1.030 25542 200 1 1 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.200 -0.086 25542 201 1 1 . 1 1 43 43 PHE C C 43 175.299 175.299 177.991 -2.692 25542 202 1 1 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.201 -0.538 25542 203 1 1 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.961 0.246 25542 204 1 1 . 1 1 43 43 PHE H H 43 8.717 8.717 8.603 0.114 25542 205 1 1 . 1 1 44 44 HIS N N 44 116.534 116.534 118.733 -2.199 25542 206 1 1 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.259 0.022 25542 207 1 1 . 1 1 44 44 HIS C C 44 174.771 174.771 177.846 -3.075 25542 208 1 1 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.285 -0.748 25542 209 1 1 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.100 -0.598 25542 210 1 1 . 1 1 44 44 HIS H H 44 8.105 8.105 9.010 -0.905 25542 211 1 1 . 1 1 45 45 ARG N N 45 120.875 120.875 119.759 1.116 25542 212 1 1 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.075 -0.152 25542 213 1 1 . 1 1 45 45 ARG C C 45 176.310 176.310 178.417 -2.107 25542 214 1 1 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.850 -0.084 25542 215 1 1 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.227 0.052 25542 216 1 1 . 1 1 45 45 ARG H H 45 8.278 8.278 8.349 -0.071 25542 217 1 1 . 1 1 46 46 ARG N N 46 116.740 116.740 119.643 -2.903 25542 218 1 1 . 1 1 46 46 ARG HA H 46 3.959 3.959 3.974 -0.015 25542 219 1 1 . 1 1 46 46 ARG C C 46 176.046 176.046 179.037 -2.991 25542 220 1 1 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.405 -0.571 25542 221 1 1 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.984 -0.126 25542 222 1 1 . 1 1 46 46 ARG H H 46 8.068 8.068 8.200 -0.132 25542 223 1 1 . 1 1 47 47 LEU N N 47 120.441 120.441 119.170 1.271 25542 224 1 1 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.029 -0.098 25542 225 1 1 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.586 2.180 25542 226 1 1 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.745 -0.120 25542 227 1 1 . 1 1 47 47 LEU H H 47 7.868 7.868 8.387 -0.519 25542 228 1 1 . 1 1 48 48 LYS N N 48 119.413 119.413 120.908 -1.495 25542 229 1 1 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.039 0.040 25542 230 1 1 . 1 1 48 48 LYS C C 48 176.354 176.354 179.041 -2.687 25542 231 1 1 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.052 -1.895 25542 232 1 1 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.704 -0.640 25542 233 1 1 . 1 1 48 48 LYS H H 48 7.784 7.784 8.034 -0.250 25542 234 1 1 . 1 1 49 49 VAL N N 49 119.618 119.618 116.668 2.950 25542 235 1 1 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.723 0.105 25542 236 1 1 . 1 1 49 49 VAL C C 49 174.195 174.195 177.383 -3.188 25542 237 1 1 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.139 -1.220 25542 238 1 1 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.451 0.858 25542 239 1 1 . 1 1 49 49 VAL H H 49 7.767 7.767 8.114 -0.347 25542 240 1 1 . 1 1 50 50 TYR N N 50 122.497 122.497 120.373 2.124 25542 241 1 1 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.740 0.424 25542 242 1 1 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.531 -2.229 25542 243 1 1 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.411 -0.125 25542 244 1 1 . 1 1 50 50 TYR H H 50 8.142 8.142 8.149 -0.007 25542 245 1 1 . 1 1 51 51 HIS N N 51 119.002 119.002 118.630 0.372 25542 246 1 1 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.295 -0.075 25542 247 1 1 . 1 1 51 51 HIS C C 51 174.214 174.214 177.056 -2.842 25542 248 1 1 . 1 1 51 51 HIS CA C 51 57.428 57.428 59.244 -1.816 25542 249 1 1 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.495 -0.397 25542 250 1 1 . 1 1 51 51 HIS H H 51 8.427 8.427 8.133 0.294 25542 251 1 1 . 1 1 52 52 ALA N N 52 123.731 123.731 122.759 0.972 25542 252 1 1 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.081 0.060 25542 253 1 1 . 1 1 52 52 ALA C C 52 176.134 176.134 178.710 -2.576 25542 254 1 1 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.150 -0.052 25542 255 1 1 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.500 -0.305 25542 256 1 1 . 1 1 52 52 ALA H H 52 8.072 8.072 7.932 0.140 25542 257 1 1 . 1 1 53 53 TRP N N 53 120.614 120.614 119.241 1.373 25542 258 1 1 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.264 0.085 25542 259 1 1 . 1 1 53 53 TRP C C 53 173.394 173.394 178.571 -5.177 25542 260 1 1 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.134 -0.358 25542 261 1 1 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.804 -0.143 25542 262 1 1 . 1 1 53 53 TRP H H 53 8.045 8.045 7.891 0.154 25542 263 1 1 . 1 1 54 54 LYS N N 54 121.675 121.675 116.829 4.846 25542 264 1 1 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.826 0.353 25542 265 1 1 . 1 1 54 54 LYS CA C 54 56.089 56.089 58.427 -2.338 25542 266 1 1 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.230 -0.166 25542 267 1 1 . 1 1 54 54 LYS H H 54 8.230 8.230 7.536 0.694 25542 268 1 1 . 1 1 55 55 SER N N 55 114.683 114.683 114.028 0.655 25542 269 1 1 . 1 1 55 55 SER HA H 55 4.163 4.163 3.686 0.477 25542 270 1 1 . 1 1 55 55 SER C C 55 177.387 177.387 175.040 2.347 25542 271 1 1 . 1 1 55 55 SER CA C 55 59.440 59.440 61.023 -1.583 25542 272 1 1 . 1 1 55 55 SER CB C 55 63.319 63.319 62.208 1.111 25542 273 1 1 . 1 1 55 55 SER H H 55 7.920 7.920 7.822 0.098 25542 274 1 1 . 1 1 56 56 LYS N N 56 122.086 122.086 119.338 2.748 25542 275 1 1 . 1 1 56 56 LYS HA H 56 4.161 4.161 3.794 0.367 25542 276 1 1 . 1 1 56 56 LYS C C 56 174.830 174.830 176.596 -1.766 25542 277 1 1 . 1 1 56 56 LYS CA C 56 57.069 57.069 58.423 -1.354 25542 278 1 1 . 1 1 56 56 LYS CB C 56 32.787 32.787 30.757 2.030 25542 279 1 1 . 1 1 56 56 LYS H H 56 7.907 7.907 8.430 -0.523 25542 280 1 1 . 1 1 57 57 ASN N N 57 118.385 118.385 123.039 -4.654 25542 281 1 1 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.501 0.026 25542 282 1 1 . 1 1 57 57 ASN C C 57 175.845 175.845 174.322 1.523 25542 283 1 1 . 1 1 57 57 ASN CA C 57 53.348 53.348 54.044 -0.696 25542 284 1 1 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.207 0.635 25542 285 1 1 . 1 1 57 57 ASN H H 57 8.019 8.019 8.350 -0.331 25542 286 1 1 . 1 1 58 58 LYS N N 58 121.675 121.675 122.826 -1.151 25542 287 1 1 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.366 -0.171 25542 288 1 1 . 1 1 58 58 LYS C C 58 175.343 175.343 174.937 0.406 25542 289 1 1 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.294 0.195 25542 290 1 1 . 1 1 58 58 LYS CB C 58 32.711 32.711 34.677 -1.966 25542 291 1 1 . 1 1 58 58 LYS H H 58 8.039 8.039 8.095 -0.057 25542 292 1 1 . 1 1 59 59 LYS N N 59 123.434 123.434 125.407 -1.973 25542 293 1 1 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.674 -0.449 25542 294 1 1 . 1 1 59 59 LYS C C 59 172.827 172.827 176.500 -3.673 25542 295 1 1 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.061 0.152 25542 296 1 1 . 1 1 59 59 LYS CB C 59 32.913 32.913 33.453 -0.540 25542 297 1 1 . 1 1 59 59 LYS H H 59 8.348 8.348 8.640 -0.292 25542 298 1 2 . 1 1 10 10 THR N N 10 114.478 114.478 115.757 -1.279 25542 299 1 2 . 1 1 10 10 THR HA H 10 4.249 4.249 4.311 -0.062 25542 300 1 2 . 1 1 10 10 THR C C 10 171.741 171.741 174.671 -2.930 25542 301 1 2 . 1 1 10 10 THR CA C 10 62.036 62.036 61.134 0.902 25542 302 1 2 . 1 1 10 10 THR CB C 10 69.784 69.784 69.565 0.219 25542 303 1 2 . 1 1 10 10 THR H H 10 8.118 8.118 7.622 0.496 25542 304 1 2 . 1 1 11 11 LYS N N 11 124.759 124.759 121.735 3.024 25542 305 1 2 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.124 0.047 25542 306 1 2 . 1 1 11 11 LYS C C 11 172.964 172.964 176.996 -4.032 25542 307 1 2 . 1 1 11 11 LYS CA C 11 56.185 56.185 57.056 -0.871 25542 308 1 2 . 1 1 11 11 LYS CB C 11 32.819 32.819 31.364 1.454 25542 309 1 2 . 1 1 11 11 LYS H H 11 8.442 8.442 8.467 -0.025 25542 310 1 2 . 1 1 12 12 LYS N N 12 123.320 123.320 122.734 0.586 25542 311 1 2 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.223 -0.107 25542 312 1 2 . 1 1 12 12 LYS C C 12 173.147 173.147 176.925 -3.778 25542 313 1 2 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.839 -1.530 25542 314 1 2 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.837 0.369 25542 315 1 2 . 1 1 12 12 LYS H H 12 8.239 8.239 8.580 -0.341 25542 316 1 2 . 1 1 13 13 TYR N N 13 119.413 119.413 118.349 1.064 25542 317 1 2 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.663 -0.251 25542 318 1 2 . 1 1 13 13 TYR C C 13 172.016 172.016 174.461 -2.445 25542 319 1 2 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.348 0.030 25542 320 1 2 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.394 -0.448 25542 321 1 2 . 1 1 13 13 TYR H H 13 8.286 8.286 7.850 0.436 25542 322 1 2 . 1 1 14 14 ASP N N 14 120.647 120.647 123.813 -3.166 25542 323 1 2 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.934 -0.247 25542 324 1 2 . 1 1 14 14 ASP C C 14 173.276 173.276 175.120 -1.844 25542 325 1 2 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.379 -1.743 25542 326 1 2 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.745 -2.540 25542 327 1 2 . 1 1 14 14 ASP H H 14 8.611 8.611 8.555 0.056 25542 328 1 2 . 1 1 15 15 LEU N N 15 126.198 126.198 125.302 0.896 25542 329 1 2 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.744 -1.011 25542 330 1 2 . 1 1 15 15 LEU C C 15 175.592 175.592 177.095 -1.503 25542 331 1 2 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.890 -0.515 25542 332 1 2 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.616 -1.670 25542 333 1 2 . 1 1 15 15 LEU H H 15 8.877 8.877 8.508 0.369 25542 334 1 2 . 1 1 16 16 SER N N 16 116.464 116.464 116.870 -0.406 25542 335 1 2 . 1 1 16 16 SER HA H 16 4.142 4.142 4.116 0.026 25542 336 1 2 . 1 1 16 16 SER C C 16 173.247 173.247 174.577 -1.330 25542 337 1 2 . 1 1 16 16 SER CA C 16 61.699 61.699 60.934 0.765 25542 338 1 2 . 1 1 16 16 SER CB C 16 62.708 62.708 63.626 -0.918 25542 339 1 2 . 1 1 16 16 SER H H 16 8.132 8.132 8.161 -0.029 25542 340 1 2 . 1 1 17 17 LYS N N 17 118.179 118.179 119.092 -0.913 25542 341 1 2 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.579 -0.078 25542 342 1 2 . 1 1 17 17 LYS C C 17 175.079 175.079 174.372 0.707 25542 343 1 2 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.554 -1.360 25542 344 1 2 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.669 -1.616 25542 345 1 2 . 1 1 17 17 LYS H H 17 8.496 8.496 7.916 0.580 25542 346 1 2 . 1 1 18 18 TRP N N 18 121.857 121.857 124.145 -2.288 25542 347 1 2 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.105 -0.513 25542 348 1 2 . 1 1 18 18 TRP C C 18 174.862 174.862 176.254 -1.392 25542 349 1 2 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.355 2.830 25542 350 1 2 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.589 -3.957 25542 351 1 2 . 1 1 18 18 TRP H H 18 7.830 7.830 8.628 -0.798 25542 352 1 2 . 1 1 19 19 LYS N N 19 123.014 123.014 119.865 3.149 25542 353 1 2 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.603 -0.058 25542 354 1 2 . 1 1 19 19 LYS C C 19 175.094 175.094 177.176 -2.082 25542 355 1 2 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.948 0.321 25542 356 1 2 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.712 -0.621 25542 357 1 2 . 1 1 19 19 LYS H H 19 9.533 9.533 8.717 0.816 25542 358 1 2 . 1 1 20 20 TYR N N 20 124.553 124.553 124.132 0.421 25542 359 1 2 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.097 -0.082 25542 360 1 2 . 1 1 20 20 TYR C C 20 174.531 174.531 177.308 -2.777 25542 361 1 2 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.710 0.427 25542 362 1 2 . 1 1 20 20 TYR CB C 20 38.114 38.114 38.271 -0.157 25542 363 1 2 . 1 1 20 20 TYR H H 20 9.400 9.400 9.026 0.374 25542 364 1 2 . 1 1 21 21 ALA N N 21 117.974 117.974 122.033 -4.059 25542 365 1 2 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.124 -0.307 25542 366 1 2 . 1 1 21 21 ALA C C 21 176.314 176.314 179.085 -2.771 25542 367 1 2 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.617 -0.265 25542 368 1 2 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.425 1.182 25542 369 1 2 . 1 1 21 21 ALA H H 21 8.991 8.991 8.570 0.421 25542 370 1 2 . 1 1 22 22 GLU N N 22 115.300 115.300 119.130 -3.830 25542 371 1 2 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.985 0.122 25542 372 1 2 . 1 1 22 22 GLU C C 22 177.380 177.380 179.124 -1.744 25542 373 1 2 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.859 -0.429 25542 374 1 2 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.727 1.143 25542 375 1 2 . 1 1 22 22 GLU H H 22 6.842 6.842 8.542 -1.700 25542 376 1 2 . 1 1 23 23 LEU N N 23 122.086 122.086 122.325 -0.239 25542 377 1 2 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.168 -0.002 25542 378 1 2 . 1 1 23 23 LEU C C 23 174.830 174.830 179.094 -4.264 25542 379 1 2 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.580 0.063 25542 380 1 2 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.025 1.086 25542 381 1 2 . 1 1 23 23 LEU H H 23 7.906 7.906 8.411 -0.505 25542 382 1 2 . 1 1 24 24 ARG N N 24 117.974 117.974 119.143 -1.169 25542 383 1 2 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.757 -0.098 25542 384 1 2 . 1 1 24 24 ARG C C 24 175.240 175.240 178.295 -3.055 25542 385 1 2 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.349 -0.318 25542 386 1 2 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.606 0.228 25542 387 1 2 . 1 1 24 24 ARG H H 24 8.220 8.220 7.924 0.296 25542 388 1 2 . 1 1 25 25 ASP N N 25 118.179 118.179 118.493 -0.314 25542 389 1 2 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.381 0.005 25542 390 1 2 . 1 1 25 25 ASP C C 25 176.554 176.554 178.407 -1.853 25542 391 1 2 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.552 -0.265 25542 392 1 2 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.776 -0.734 25542 393 1 2 . 1 1 25 25 ASP H H 25 8.482 8.482 8.313 0.169 25542 394 1 2 . 1 1 26 26 THR N N 26 118.385 118.385 116.359 2.026 25542 395 1 2 . 1 1 26 26 THR HA H 26 3.900 3.900 4.071 -0.171 25542 396 1 2 . 1 1 26 26 THR C C 26 173.365 173.365 176.911 -3.546 25542 397 1 2 . 1 1 26 26 THR CA C 26 67.774 67.774 67.067 0.707 25542 398 1 2 . 1 1 26 26 THR CB C 26 67.779 67.779 69.058 -1.279 25542 399 1 2 . 1 1 26 26 THR H H 26 7.930 7.930 8.507 -0.577 25542 400 1 2 . 1 1 27 27 ILE N N 27 122.497 122.497 119.208 3.289 25542 401 1 2 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.877 -0.232 25542 402 1 2 . 1 1 27 27 ILE C C 27 174.485 174.485 175.977 -1.492 25542 403 1 2 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.342 1.276 25542 404 1 2 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.970 -0.318 25542 405 1 2 . 1 1 27 27 ILE H H 27 8.145 8.145 7.913 0.232 25542 406 1 2 . 1 1 28 28 ASN N N 28 115.095 115.095 115.514 -0.419 25542 407 1 2 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.737 -0.115 25542 408 1 2 . 1 1 28 28 ASN C C 28 173.902 173.902 175.950 -2.048 25542 409 1 2 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.140 0.289 25542 410 1 2 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.586 -0.417 25542 411 1 2 . 1 1 28 28 ASN H H 28 7.700 7.700 8.106 -0.406 25542 412 1 2 . 1 1 29 29 THR N N 29 107.692 107.692 110.391 -2.699 25542 413 1 2 . 1 1 29 29 THR HA H 29 4.606 4.606 4.502 0.104 25542 414 1 2 . 1 1 29 29 THR C C 29 172.290 172.290 175.369 -3.079 25542 415 1 2 . 1 1 29 29 THR CA C 29 62.629 62.629 62.333 0.296 25542 416 1 2 . 1 1 29 29 THR CB C 29 72.232 72.232 70.269 1.963 25542 417 1 2 . 1 1 29 29 THR H H 29 7.592 7.592 8.107 -0.515 25542 418 1 2 . 1 1 30 30 SER N N 30 117.670 117.670 118.193 -0.523 25542 419 1 2 . 1 1 30 30 SER HA H 30 4.298 4.298 4.616 -0.318 25542 420 1 2 . 1 1 30 30 SER C C 30 172.473 172.473 173.081 -0.608 25542 421 1 2 . 1 1 30 30 SER CA C 30 59.633 59.633 59.007 0.626 25542 422 1 2 . 1 1 30 30 SER CB C 30 64.278 64.278 64.524 -0.246 25542 423 1 2 . 1 1 30 30 SER H H 30 8.701 8.701 8.116 0.585 25542 424 1 2 . 1 1 31 31 CYS N N 31 121.263 121.263 119.598 1.665 25542 425 1 2 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.629 0.152 25542 426 1 2 . 1 1 31 31 CYS C C 31 170.861 170.861 172.339 -1.478 25542 427 1 2 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.884 -1.479 25542 428 1 2 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.260 -0.957 25542 429 1 2 . 1 1 31 31 CYS H H 31 8.719 8.719 8.486 0.233 25542 430 1 2 . 1 1 32 32 ASP N N 32 124.542 124.542 126.972 -2.430 25542 431 1 2 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.733 -0.111 25542 432 1 2 . 1 1 32 32 ASP C C 32 172.541 172.541 176.248 -3.707 25542 433 1 2 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.840 -0.686 25542 434 1 2 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.070 -1.829 25542 435 1 2 . 1 1 32 32 ASP H H 32 8.551 8.551 8.338 0.213 25542 436 1 2 . 1 1 33 33 ILE N N 33 125.170 125.170 121.567 3.603 25542 437 1 2 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.561 0.133 25542 438 1 2 . 1 1 33 33 ILE C C 33 175.743 175.743 176.924 -1.181 25542 439 1 2 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.413 0.323 25542 440 1 2 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.793 0.022 25542 441 1 2 . 1 1 33 33 ILE H H 33 8.464 8.464 8.585 -0.121 25542 442 1 2 . 1 1 34 34 GLU N N 34 121.058 121.058 119.123 1.935 25542 443 1 2 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.758 0.384 25542 444 1 2 . 1 1 34 34 GLU C C 34 176.406 176.406 178.102 -1.696 25542 445 1 2 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.434 0.676 25542 446 1 2 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.909 0.813 25542 447 1 2 . 1 1 34 34 GLU H H 34 8.186 8.186 7.838 0.348 25542 448 1 2 . 1 1 35 35 LEU N N 35 124.965 124.965 121.286 3.679 25542 449 1 2 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.965 -0.330 25542 450 1 2 . 1 1 35 35 LEU C C 35 176.399 176.399 178.930 -2.531 25542 451 1 2 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.474 -0.445 25542 452 1 2 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.203 -0.221 25542 453 1 2 . 1 1 35 35 LEU H H 35 7.849 7.849 7.939 -0.090 25542 454 1 2 . 1 1 36 36 LEU N N 36 120.453 120.453 117.955 2.498 25542 455 1 2 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.771 -0.092 25542 456 1 2 . 1 1 36 36 LEU C C 36 176.280 176.280 178.881 -2.601 25542 457 1 2 . 1 1 36 36 LEU CA C 36 58.735 58.735 57.989 0.746 25542 458 1 2 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.738 1.731 25542 459 1 2 . 1 1 36 36 LEU H H 36 8.867 8.867 8.637 0.230 25542 460 1 2 . 1 1 37 37 ALA N N 37 120.030 120.030 121.703 -1.673 25542 461 1 2 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.787 0.221 25542 462 1 2 . 1 1 37 37 ALA C C 37 177.606 177.606 179.355 -1.749 25542 463 1 2 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.094 0.007 25542 464 1 2 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.707 -0.066 25542 465 1 2 . 1 1 37 37 ALA H H 37 7.624 7.624 7.874 -0.250 25542 466 1 2 . 1 1 38 38 ALA N N 38 121.675 121.675 121.863 -0.188 25542 467 1 2 . 1 1 38 38 ALA HA H 38 4.110 4.110 4.094 0.016 25542 468 1 2 . 1 1 38 38 ALA C C 38 178.452 178.452 179.088 -0.636 25542 469 1 2 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.742 0.087 25542 470 1 2 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.107 -0.099 25542 471 1 2 . 1 1 38 38 ALA H H 38 7.681 7.681 8.392 -0.711 25542 472 1 2 . 1 1 39 39 CYS N N 39 119.413 119.413 117.796 1.617 25542 473 1 2 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.901 -0.156 25542 474 1 2 . 1 1 39 39 CYS C C 39 173.860 173.860 176.636 -2.776 25542 475 1 2 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.952 -0.133 25542 476 1 2 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.513 -0.203 25542 477 1 2 . 1 1 39 39 CYS H H 39 8.806 8.806 7.998 0.808 25542 478 1 2 . 1 1 40 40 ARG N N 40 119.824 119.824 120.023 -0.199 25542 479 1 2 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.887 0.032 25542 480 1 2 . 1 1 40 40 ARG C C 40 176.108 176.108 178.266 -2.158 25542 481 1 2 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.991 0.541 25542 482 1 2 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.074 -0.228 25542 483 1 2 . 1 1 40 40 ARG H H 40 8.382 8.382 8.461 -0.079 25542 484 1 2 . 1 1 41 41 GLU N N 41 119.618 119.618 119.201 0.417 25542 485 1 2 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.942 0.145 25542 486 1 2 . 1 1 41 41 GLU C C 41 171.786 171.786 179.164 -7.378 25542 487 1 2 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.893 -0.693 25542 488 1 2 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.339 -0.062 25542 489 1 2 . 1 1 41 41 GLU H H 41 7.949 7.949 8.248 -0.299 25542 490 1 2 . 1 1 42 42 GLU N N 42 121.469 121.469 119.411 2.058 25542 491 1 2 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.079 0.231 25542 492 1 2 . 1 1 42 42 GLU C C 42 173.408 173.408 179.130 -5.722 25542 493 1 2 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.294 -1.035 25542 494 1 2 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.355 -1.213 25542 495 1 2 . 1 1 42 42 GLU H H 42 7.980 7.980 8.153 -0.173 25542 496 1 2 . 1 1 43 43 PHE N N 43 119.824 119.824 119.908 -0.084 25542 497 1 2 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.161 -0.047 25542 498 1 2 . 1 1 43 43 PHE C C 43 175.299 175.299 178.083 -2.784 25542 499 1 2 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.208 -0.545 25542 500 1 2 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.699 0.508 25542 501 1 2 . 1 1 43 43 PHE H H 43 8.717 8.717 8.602 0.115 25542 502 1 2 . 1 1 44 44 HIS N N 44 116.534 116.534 119.057 -2.523 25542 503 1 2 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.136 0.145 25542 504 1 2 . 1 1 44 44 HIS C C 44 174.771 174.771 177.442 -2.671 25542 505 1 2 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.824 -1.287 25542 506 1 2 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.005 -0.503 25542 507 1 2 . 1 1 44 44 HIS H H 44 8.105 8.105 9.000 -0.895 25542 508 1 2 . 1 1 45 45 ARG N N 45 120.875 120.875 119.075 1.800 25542 509 1 2 . 1 1 45 45 ARG HA H 45 3.923 3.923 3.880 0.043 25542 510 1 2 . 1 1 45 45 ARG C C 45 176.310 176.310 178.334 -2.024 25542 511 1 2 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.799 -0.033 25542 512 1 2 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.256 0.023 25542 513 1 2 . 1 1 45 45 ARG H H 45 8.278 8.278 8.379 -0.101 25542 514 1 2 . 1 1 46 46 ARG N N 46 116.740 116.740 119.743 -3.003 25542 515 1 2 . 1 1 46 46 ARG HA H 46 3.959 3.959 3.893 0.066 25542 516 1 2 . 1 1 46 46 ARG C C 46 176.046 176.046 178.897 -2.851 25542 517 1 2 . 1 1 46 46 ARG CA C 46 58.834 58.834 58.992 -0.158 25542 518 1 2 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.440 0.418 25542 519 1 2 . 1 1 46 46 ARG H H 46 8.068 8.068 7.985 0.083 25542 520 1 2 . 1 1 47 47 LEU N N 47 120.441 120.441 120.124 0.317 25542 521 1 2 . 1 1 47 47 LEU HA H 47 3.931 3.931 3.798 0.133 25542 522 1 2 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.427 1.339 25542 523 1 2 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.552 0.073 25542 524 1 2 . 1 1 47 47 LEU H H 47 7.868 7.868 8.567 -0.699 25542 525 1 2 . 1 1 48 48 LYS N N 48 119.413 119.413 119.355 0.058 25542 526 1 2 . 1 1 48 48 LYS HA H 48 4.079 4.079 3.951 0.128 25542 527 1 2 . 1 1 48 48 LYS C C 48 176.354 176.354 179.269 -2.915 25542 528 1 2 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.650 -1.493 25542 529 1 2 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.308 -0.244 25542 530 1 2 . 1 1 48 48 LYS H H 48 7.784 7.784 7.844 -0.060 25542 531 1 2 . 1 1 49 49 VAL N N 49 119.618 119.618 119.519 0.099 25542 532 1 2 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.448 0.380 25542 533 1 2 . 1 1 49 49 VAL C C 49 174.195 174.195 177.794 -3.599 25542 534 1 2 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.790 -1.871 25542 535 1 2 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.845 1.464 25542 536 1 2 . 1 1 49 49 VAL H H 49 7.767 7.767 8.566 -0.799 25542 537 1 2 . 1 1 50 50 TYR N N 50 122.497 122.497 120.452 2.045 25542 538 1 2 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.987 0.177 25542 539 1 2 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.574 -2.272 25542 540 1 2 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.534 -0.248 25542 541 1 2 . 1 1 50 50 TYR H H 50 8.142 8.142 8.479 -0.337 25542 542 1 2 . 1 1 51 51 HIS N N 51 119.002 119.002 117.486 1.516 25542 543 1 2 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.324 -0.104 25542 544 1 2 . 1 1 51 51 HIS C C 51 174.214 174.214 176.209 -1.995 25542 545 1 2 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.443 -1.015 25542 546 1 2 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.865 -0.766 25542 547 1 2 . 1 1 51 51 HIS H H 51 8.427 8.427 8.318 0.109 25542 548 1 2 . 1 1 52 52 ALA N N 52 123.731 123.731 122.876 0.855 25542 549 1 2 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.148 -0.007 25542 550 1 2 . 1 1 52 52 ALA C C 52 176.134 176.134 178.981 -2.847 25542 551 1 2 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.119 -0.021 25542 552 1 2 . 1 1 52 52 ALA CB C 52 18.195 18.195 19.139 -0.944 25542 553 1 2 . 1 1 52 52 ALA H H 52 8.072 8.072 8.306 -0.234 25542 554 1 2 . 1 1 53 53 TRP N N 53 120.614 120.614 119.065 1.549 25542 555 1 2 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.350 -0.001 25542 556 1 2 . 1 1 53 53 TRP C C 53 173.394 173.394 177.499 -4.105 25542 557 1 2 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.203 -0.427 25542 558 1 2 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.005 0.656 25542 559 1 2 . 1 1 53 53 TRP H H 53 8.045 8.045 8.553 -0.508 25542 560 1 2 . 1 1 54 54 LYS N N 54 121.675 121.675 118.543 3.132 25542 561 1 2 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.983 0.196 25542 562 1 2 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.563 -1.474 25542 563 1 2 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.178 -0.114 25542 564 1 2 . 1 1 54 54 LYS H H 54 8.230 8.230 7.545 0.685 25542 565 1 2 . 1 1 55 55 SER N N 55 114.683 114.683 117.035 -2.352 25542 566 1 2 . 1 1 55 55 SER HA H 55 4.163 4.163 4.286 -0.123 25542 567 1 2 . 1 1 55 55 SER C C 55 177.387 177.387 173.604 3.783 25542 568 1 2 . 1 1 55 55 SER CA C 55 59.440 59.440 59.661 -0.222 25542 569 1 2 . 1 1 55 55 SER CB C 55 63.319 63.319 63.514 -0.195 25542 570 1 2 . 1 1 55 55 SER H H 55 7.920 7.920 7.687 0.233 25542 571 1 2 . 1 1 56 56 LYS N N 56 122.086 122.086 126.549 -4.463 25542 572 1 2 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.237 -0.076 25542 573 1 2 . 1 1 56 56 LYS C C 56 174.830 174.830 175.962 -1.132 25542 574 1 2 . 1 1 56 56 LYS CA C 56 57.069 57.069 55.624 1.444 25542 575 1 2 . 1 1 56 56 LYS CB C 56 32.787 32.787 30.978 1.809 25542 576 1 2 . 1 1 56 56 LYS H H 56 7.907 7.907 8.346 -0.439 25542 577 1 2 . 1 1 57 57 ASN N N 57 118.385 118.385 121.241 -2.856 25542 578 1 2 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.763 -0.236 25542 579 1 2 . 1 1 57 57 ASN C C 57 175.845 175.845 175.364 0.481 25542 580 1 2 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.319 0.029 25542 581 1 2 . 1 1 57 57 ASN CB C 57 38.842 38.842 39.435 -0.594 25542 582 1 2 . 1 1 57 57 ASN H H 57 8.019 8.019 8.140 -0.121 25542 583 1 2 . 1 1 58 58 LYS N N 58 121.675 121.675 120.487 1.188 25542 584 1 2 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.234 -0.039 25542 585 1 2 . 1 1 58 58 LYS C C 58 175.343 175.343 175.627 -0.284 25542 586 1 2 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.421 0.068 25542 587 1 2 . 1 1 58 58 LYS CB C 58 32.711 32.711 33.265 -0.554 25542 588 1 2 . 1 1 58 58 LYS H H 58 8.039 8.039 8.337 -0.298 25542 589 1 2 . 1 1 59 59 LYS N N 59 123.434 123.434 121.111 2.323 25542 590 1 2 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.072 0.153 25542 591 1 2 . 1 1 59 59 LYS C C 59 172.827 172.827 175.344 -2.517 25542 592 1 2 . 1 1 59 59 LYS CA C 59 56.213 56.213 57.191 -0.978 25542 593 1 2 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.600 0.313 25542 594 1 2 . 1 1 59 59 LYS H H 59 8.348 8.348 8.231 0.117 25542 595 1 3 . 1 1 10 10 THR N N 10 114.478 114.478 115.788 -1.310 25542 596 1 3 . 1 1 10 10 THR HA H 10 4.249 4.249 4.517 -0.268 25542 597 1 3 . 1 1 10 10 THR C C 10 171.741 171.741 175.442 -3.701 25542 598 1 3 . 1 1 10 10 THR CA C 10 62.036 62.036 61.543 0.493 25542 599 1 3 . 1 1 10 10 THR CB C 10 69.784 69.784 69.696 0.088 25542 600 1 3 . 1 1 10 10 THR H H 10 8.118 8.118 8.188 -0.070 25542 601 1 3 . 1 1 11 11 LYS N N 11 124.759 124.759 124.065 0.694 25542 602 1 3 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.432 -0.261 25542 603 1 3 . 1 1 11 11 LYS C C 11 172.964 172.964 176.703 -3.739 25542 604 1 3 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.059 0.126 25542 605 1 3 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.146 -0.327 25542 606 1 3 . 1 1 11 11 LYS H H 11 8.442 8.442 8.539 -0.097 25542 607 1 3 . 1 1 12 12 LYS N N 12 123.320 123.320 119.289 4.031 25542 608 1 3 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.287 -0.171 25542 609 1 3 . 1 1 12 12 LYS C C 12 173.147 173.147 176.766 -3.619 25542 610 1 3 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.582 -1.274 25542 611 1 3 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.886 0.319 25542 612 1 3 . 1 1 12 12 LYS H H 12 8.239 8.239 8.343 -0.104 25542 613 1 3 . 1 1 13 13 TYR N N 13 119.413 119.413 118.701 0.712 25542 614 1 3 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.610 -0.198 25542 615 1 3 . 1 1 13 13 TYR C C 13 172.016 172.016 174.099 -2.083 25542 616 1 3 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.272 0.106 25542 617 1 3 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.412 -0.466 25542 618 1 3 . 1 1 13 13 TYR H H 13 8.286 8.286 7.858 0.428 25542 619 1 3 . 1 1 14 14 ASP N N 14 120.647 120.647 122.634 -1.987 25542 620 1 3 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.899 -0.212 25542 621 1 3 . 1 1 14 14 ASP C C 14 173.276 173.276 175.040 -1.764 25542 622 1 3 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.312 -1.676 25542 623 1 3 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.496 -2.291 25542 624 1 3 . 1 1 14 14 ASP H H 14 8.611 8.611 8.611 0.000 25542 625 1 3 . 1 1 15 15 LEU N N 15 126.198 126.198 126.433 -0.235 25542 626 1 3 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.695 -0.962 25542 627 1 3 . 1 1 15 15 LEU C C 15 175.592 175.592 177.402 -1.810 25542 628 1 3 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.946 -0.571 25542 629 1 3 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.520 -1.575 25542 630 1 3 . 1 1 15 15 LEU H H 15 8.877 8.877 8.519 0.358 25542 631 1 3 . 1 1 16 16 SER N N 16 116.464 116.464 118.220 -1.756 25542 632 1 3 . 1 1 16 16 SER HA H 16 4.142 4.142 4.069 0.073 25542 633 1 3 . 1 1 16 16 SER C C 16 173.247 173.247 173.998 -0.751 25542 634 1 3 . 1 1 16 16 SER CA C 16 61.699 61.699 61.115 0.584 25542 635 1 3 . 1 1 16 16 SER CB C 16 62.708 62.708 63.458 -0.750 25542 636 1 3 . 1 1 16 16 SER H H 16 8.132 8.132 8.226 -0.094 25542 637 1 3 . 1 1 17 17 LYS N N 17 118.179 118.179 120.089 -1.910 25542 638 1 3 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.525 -0.024 25542 639 1 3 . 1 1 17 17 LYS C C 17 175.079 175.079 175.306 -0.227 25542 640 1 3 . 1 1 17 17 LYS CA C 17 55.194 55.194 55.978 -0.784 25542 641 1 3 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.549 -1.496 25542 642 1 3 . 1 1 17 17 LYS H H 17 8.496 8.496 8.098 0.398 25542 643 1 3 . 1 1 18 18 TRP N N 18 121.857 121.857 124.838 -2.981 25542 644 1 3 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.789 -0.197 25542 645 1 3 . 1 1 18 18 TRP C C 18 174.862 174.862 175.762 -0.900 25542 646 1 3 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.437 2.748 25542 647 1 3 . 1 1 18 18 TRP CB C 18 28.632 28.632 31.929 -3.297 25542 648 1 3 . 1 1 18 18 TRP H H 18 7.830 7.830 8.598 -0.768 25542 649 1 3 . 1 1 19 19 LYS N N 19 123.014 123.014 120.402 2.612 25542 650 1 3 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.289 0.256 25542 651 1 3 . 1 1 19 19 LYS C C 19 175.094 175.094 177.620 -2.526 25542 652 1 3 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.717 0.552 25542 653 1 3 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.204 -0.113 25542 654 1 3 . 1 1 19 19 LYS H H 19 9.533 9.533 9.301 0.232 25542 655 1 3 . 1 1 20 20 TYR N N 20 124.553 124.553 120.492 4.061 25542 656 1 3 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.166 -0.151 25542 657 1 3 . 1 1 20 20 TYR C C 20 174.531 174.531 177.925 -3.394 25542 658 1 3 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.142 1.995 25542 659 1 3 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.849 1.265 25542 660 1 3 . 1 1 20 20 TYR H H 20 9.400 9.400 7.428 1.972 25542 661 1 3 . 1 1 21 21 ALA N N 21 117.974 117.974 123.163 -5.189 25542 662 1 3 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.131 -0.314 25542 663 1 3 . 1 1 21 21 ALA C C 21 176.314 176.314 179.359 -3.045 25542 664 1 3 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.521 -0.169 25542 665 1 3 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.612 0.995 25542 666 1 3 . 1 1 21 21 ALA H H 21 8.991 8.991 8.268 0.723 25542 667 1 3 . 1 1 22 22 GLU N N 22 115.300 115.300 119.097 -3.797 25542 668 1 3 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.992 0.115 25542 669 1 3 . 1 1 22 22 GLU C C 22 177.380 177.380 179.138 -1.758 25542 670 1 3 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.855 -0.425 25542 671 1 3 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.699 1.171 25542 672 1 3 . 1 1 22 22 GLU H H 22 6.842 6.842 8.488 -1.646 25542 673 1 3 . 1 1 23 23 LEU N N 23 122.086 122.086 121.985 0.101 25542 674 1 3 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.258 -0.092 25542 675 1 3 . 1 1 23 23 LEU C C 23 174.830 174.830 179.246 -4.416 25542 676 1 3 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.428 0.214 25542 677 1 3 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.141 0.970 25542 678 1 3 . 1 1 23 23 LEU H H 23 7.906 7.906 8.443 -0.537 25542 679 1 3 . 1 1 24 24 ARG N N 24 117.974 117.974 119.125 -1.151 25542 680 1 3 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.899 -0.240 25542 681 1 3 . 1 1 24 24 ARG C C 24 175.240 175.240 178.369 -3.129 25542 682 1 3 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.989 -0.958 25542 683 1 3 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.128 -0.294 25542 684 1 3 . 1 1 24 24 ARG H H 24 8.220 8.220 8.267 -0.047 25542 685 1 3 . 1 1 25 25 ASP N N 25 118.179 118.179 118.469 -0.290 25542 686 1 3 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.414 -0.028 25542 687 1 3 . 1 1 25 25 ASP C C 25 176.554 176.554 178.535 -1.981 25542 688 1 3 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.507 -0.220 25542 689 1 3 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.851 -0.809 25542 690 1 3 . 1 1 25 25 ASP H H 25 8.482 8.482 8.347 0.135 25542 691 1 3 . 1 1 26 26 THR N N 26 118.385 118.385 116.554 1.831 25542 692 1 3 . 1 1 26 26 THR HA H 26 3.900 3.900 4.044 -0.144 25542 693 1 3 . 1 1 26 26 THR C C 26 173.365 173.365 176.959 -3.594 25542 694 1 3 . 1 1 26 26 THR CA C 26 67.774 67.774 66.510 1.264 25542 695 1 3 . 1 1 26 26 THR CB C 26 67.779 67.779 69.163 -1.385 25542 696 1 3 . 1 1 26 26 THR H H 26 7.930 7.930 8.461 -0.531 25542 697 1 3 . 1 1 27 27 ILE N N 27 122.497 122.497 119.862 2.635 25542 698 1 3 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.897 -0.252 25542 699 1 3 . 1 1 27 27 ILE C C 27 174.485 174.485 175.730 -1.245 25542 700 1 3 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.526 1.092 25542 701 1 3 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.158 -0.506 25542 702 1 3 . 1 1 27 27 ILE H H 27 8.145 8.145 7.996 0.149 25542 703 1 3 . 1 1 28 28 ASN N N 28 115.095 115.095 115.196 -0.101 25542 704 1 3 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.728 -0.106 25542 705 1 3 . 1 1 28 28 ASN C C 28 173.902 173.902 176.164 -2.262 25542 706 1 3 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.009 0.420 25542 707 1 3 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.666 -0.497 25542 708 1 3 . 1 1 28 28 ASN H H 28 7.700 7.700 8.042 -0.342 25542 709 1 3 . 1 1 29 29 THR N N 29 107.692 107.692 109.479 -1.787 25542 710 1 3 . 1 1 29 29 THR HA H 29 4.606 4.606 4.574 0.032 25542 711 1 3 . 1 1 29 29 THR C C 29 172.290 172.290 175.336 -3.046 25542 712 1 3 . 1 1 29 29 THR CA C 29 62.629 62.629 62.196 0.433 25542 713 1 3 . 1 1 29 29 THR CB C 29 72.232 72.232 70.225 2.007 25542 714 1 3 . 1 1 29 29 THR H H 29 7.592 7.592 8.233 -0.641 25542 715 1 3 . 1 1 30 30 SER N N 30 117.670 117.670 118.854 -1.184 25542 716 1 3 . 1 1 30 30 SER HA H 30 4.298 4.298 4.680 -0.382 25542 717 1 3 . 1 1 30 30 SER C C 30 172.473 172.473 172.953 -0.480 25542 718 1 3 . 1 1 30 30 SER CA C 30 59.633 59.633 58.791 0.842 25542 719 1 3 . 1 1 30 30 SER CB C 30 64.278 64.278 64.640 -0.362 25542 720 1 3 . 1 1 30 30 SER H H 30 8.701 8.701 8.107 0.594 25542 721 1 3 . 1 1 31 31 CYS N N 31 121.263 121.263 119.244 2.019 25542 722 1 3 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.628 0.153 25542 723 1 3 . 1 1 31 31 CYS C C 31 170.861 170.861 172.443 -1.582 25542 724 1 3 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.314 -1.909 25542 725 1 3 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.263 -0.960 25542 726 1 3 . 1 1 31 31 CYS H H 31 8.719 8.719 8.403 0.316 25542 727 1 3 . 1 1 32 32 ASP N N 32 124.542 124.542 127.008 -2.466 25542 728 1 3 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.771 -0.149 25542 729 1 3 . 1 1 32 32 ASP C C 32 172.541 172.541 176.450 -3.909 25542 730 1 3 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.986 -0.832 25542 731 1 3 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.889 -1.648 25542 732 1 3 . 1 1 32 32 ASP H H 32 8.551 8.551 8.261 0.290 25542 733 1 3 . 1 1 33 33 ILE N N 33 125.170 125.170 121.552 3.618 25542 734 1 3 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.569 0.125 25542 735 1 3 . 1 1 33 33 ILE C C 33 175.743 175.743 176.858 -1.115 25542 736 1 3 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.317 0.419 25542 737 1 3 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.808 0.007 25542 738 1 3 . 1 1 33 33 ILE H H 33 8.464 8.464 8.574 -0.110 25542 739 1 3 . 1 1 34 34 GLU N N 34 121.058 121.058 119.264 1.794 25542 740 1 3 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.777 0.365 25542 741 1 3 . 1 1 34 34 GLU C C 34 176.406 176.406 178.186 -1.780 25542 742 1 3 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.545 0.566 25542 743 1 3 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.684 1.038 25542 744 1 3 . 1 1 34 34 GLU H H 34 8.186 8.186 7.858 0.328 25542 745 1 3 . 1 1 35 35 LEU N N 35 124.965 124.965 121.199 3.766 25542 746 1 3 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.895 -0.260 25542 747 1 3 . 1 1 35 35 LEU C C 35 176.399 176.399 178.881 -2.482 25542 748 1 3 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.414 -0.385 25542 749 1 3 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.178 -0.196 25542 750 1 3 . 1 1 35 35 LEU H H 35 7.849 7.849 7.859 -0.010 25542 751 1 3 . 1 1 36 36 LEU N N 36 120.453 120.453 117.936 2.517 25542 752 1 3 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.787 -0.108 25542 753 1 3 . 1 1 36 36 LEU C C 36 176.280 176.280 178.861 -2.581 25542 754 1 3 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.024 0.711 25542 755 1 3 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.695 1.774 25542 756 1 3 . 1 1 36 36 LEU H H 36 8.867 8.867 8.677 0.190 25542 757 1 3 . 1 1 37 37 ALA N N 37 120.030 120.030 122.030 -2.000 25542 758 1 3 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.778 0.230 25542 759 1 3 . 1 1 37 37 ALA C C 37 177.606 177.606 179.048 -1.442 25542 760 1 3 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.030 0.071 25542 761 1 3 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.781 -0.140 25542 762 1 3 . 1 1 37 37 ALA H H 37 7.624 7.624 7.884 -0.260 25542 763 1 3 . 1 1 38 38 ALA N N 38 121.675 121.675 120.617 1.058 25542 764 1 3 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.869 0.240 25542 765 1 3 . 1 1 38 38 ALA C C 38 178.452 178.452 178.668 -0.216 25542 766 1 3 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.995 -0.166 25542 767 1 3 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.085 -0.077 25542 768 1 3 . 1 1 38 38 ALA H H 38 7.681 7.681 8.261 -0.580 25542 769 1 3 . 1 1 39 39 CYS N N 39 119.413 119.413 117.771 1.642 25542 770 1 3 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.917 -0.172 25542 771 1 3 . 1 1 39 39 CYS C C 39 173.860 173.860 177.126 -3.266 25542 772 1 3 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.522 0.297 25542 773 1 3 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.153 0.157 25542 774 1 3 . 1 1 39 39 CYS H H 39 8.806 8.806 8.146 0.660 25542 775 1 3 . 1 1 40 40 ARG N N 40 119.824 119.824 119.382 0.442 25542 776 1 3 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.902 0.017 25542 777 1 3 . 1 1 40 40 ARG C C 40 176.108 176.108 178.618 -2.510 25542 778 1 3 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.183 0.349 25542 779 1 3 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.991 -0.145 25542 780 1 3 . 1 1 40 40 ARG H H 40 8.382 8.382 8.660 -0.278 25542 781 1 3 . 1 1 41 41 GLU N N 41 119.618 119.618 118.698 0.920 25542 782 1 3 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.021 0.066 25542 783 1 3 . 1 1 41 41 GLU C C 41 171.786 171.786 179.209 -7.423 25542 784 1 3 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.477 -0.277 25542 785 1 3 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.046 0.231 25542 786 1 3 . 1 1 41 41 GLU H H 41 7.949 7.949 8.240 -0.291 25542 787 1 3 . 1 1 42 42 GLU N N 42 121.469 121.469 119.695 1.774 25542 788 1 3 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.114 0.196 25542 789 1 3 . 1 1 42 42 GLU C C 42 173.408 173.408 179.095 -5.687 25542 790 1 3 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.240 -0.981 25542 791 1 3 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.427 -1.285 25542 792 1 3 . 1 1 42 42 GLU H H 42 7.980 7.980 8.087 -0.107 25542 793 1 3 . 1 1 43 43 PHE N N 43 119.824 119.824 120.264 -0.440 25542 794 1 3 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.172 -0.058 25542 795 1 3 . 1 1 43 43 PHE C C 43 175.299 175.299 178.320 -3.021 25542 796 1 3 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.420 -0.757 25542 797 1 3 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.774 0.433 25542 798 1 3 . 1 1 43 43 PHE H H 43 8.717 8.717 8.668 0.049 25542 799 1 3 . 1 1 44 44 HIS N N 44 116.534 116.534 118.371 -1.837 25542 800 1 3 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.301 -0.020 25542 801 1 3 . 1 1 44 44 HIS C C 44 174.771 174.771 177.763 -2.992 25542 802 1 3 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.349 -0.812 25542 803 1 3 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.141 -0.639 25542 804 1 3 . 1 1 44 44 HIS H H 44 8.105 8.105 8.939 -0.834 25542 805 1 3 . 1 1 45 45 ARG N N 45 120.875 120.875 119.966 0.909 25542 806 1 3 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.039 -0.116 25542 807 1 3 . 1 1 45 45 ARG C C 45 176.310 176.310 178.166 -1.856 25542 808 1 3 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.645 0.121 25542 809 1 3 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.206 0.073 25542 810 1 3 . 1 1 45 45 ARG H H 45 8.278 8.278 8.243 0.035 25542 811 1 3 . 1 1 46 46 ARG N N 46 116.740 116.740 119.874 -3.134 25542 812 1 3 . 1 1 46 46 ARG HA H 46 3.959 3.959 3.969 -0.010 25542 813 1 3 . 1 1 46 46 ARG C C 46 176.046 176.046 179.028 -2.982 25542 814 1 3 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.362 -0.528 25542 815 1 3 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.863 -0.005 25542 816 1 3 . 1 1 46 46 ARG H H 46 8.068 8.068 8.386 -0.318 25542 817 1 3 . 1 1 47 47 LEU N N 47 120.441 120.441 119.616 0.825 25542 818 1 3 . 1 1 47 47 LEU HA H 47 3.931 3.931 3.971 -0.040 25542 819 1 3 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.912 1.854 25542 820 1 3 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.707 -0.082 25542 821 1 3 . 1 1 47 47 LEU H H 47 7.868 7.868 8.371 -0.503 25542 822 1 3 . 1 1 48 48 LYS N N 48 119.413 119.413 120.918 -1.505 25542 823 1 3 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.024 0.055 25542 824 1 3 . 1 1 48 48 LYS C C 48 176.354 176.354 179.015 -2.661 25542 825 1 3 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.645 -1.488 25542 826 1 3 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.473 -0.409 25542 827 1 3 . 1 1 48 48 LYS H H 48 7.784 7.784 7.794 -0.010 25542 828 1 3 . 1 1 49 49 VAL N N 49 119.618 119.618 116.437 3.181 25542 829 1 3 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.615 0.213 25542 830 1 3 . 1 1 49 49 VAL C C 49 174.195 174.195 177.357 -3.162 25542 831 1 3 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.100 -1.181 25542 832 1 3 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.151 1.159 25542 833 1 3 . 1 1 49 49 VAL H H 49 7.767 7.767 8.015 -0.248 25542 834 1 3 . 1 1 50 50 TYR N N 50 122.497 122.497 122.031 0.466 25542 835 1 3 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.896 0.268 25542 836 1 3 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.995 -2.693 25542 837 1 3 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.127 0.159 25542 838 1 3 . 1 1 50 50 TYR H H 50 8.142 8.142 7.960 0.182 25542 839 1 3 . 1 1 51 51 HIS N N 51 119.002 119.002 116.515 2.487 25542 840 1 3 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.019 0.201 25542 841 1 3 . 1 1 51 51 HIS C C 51 174.214 174.214 176.202 -1.988 25542 842 1 3 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.601 -1.173 25542 843 1 3 . 1 1 51 51 HIS CB C 51 30.099 30.099 29.768 0.331 25542 844 1 3 . 1 1 51 51 HIS H H 51 8.427 8.427 7.982 0.445 25542 845 1 3 . 1 1 52 52 ALA N N 52 123.731 123.731 121.797 1.934 25542 846 1 3 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.197 -0.056 25542 847 1 3 . 1 1 52 52 ALA C C 52 176.134 176.134 179.140 -3.006 25542 848 1 3 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.136 -0.038 25542 849 1 3 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.889 -0.694 25542 850 1 3 . 1 1 52 52 ALA H H 52 8.072 8.072 7.769 0.303 25542 851 1 3 . 1 1 53 53 TRP N N 53 120.614 120.614 118.864 1.750 25542 852 1 3 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.380 -0.031 25542 853 1 3 . 1 1 53 53 TRP C C 53 173.394 173.394 178.097 -4.703 25542 854 1 3 . 1 1 53 53 TRP CA C 53 58.776 58.776 58.054 0.722 25542 855 1 3 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.384 -0.723 25542 856 1 3 . 1 1 53 53 TRP H H 53 8.045 8.045 8.317 -0.272 25542 857 1 3 . 1 1 54 54 LYS N N 54 121.675 121.675 115.743 5.932 25542 858 1 3 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.566 0.613 25542 859 1 3 . 1 1 54 54 LYS CA C 54 56.089 56.089 58.516 -2.427 25542 860 1 3 . 1 1 54 54 LYS CB C 54 32.064 32.064 30.619 1.445 25542 861 1 3 . 1 1 54 54 LYS H H 54 8.230 8.230 8.126 0.104 25542 862 1 3 . 1 1 55 55 SER N N 55 114.683 114.683 115.131 -0.448 25542 863 1 3 . 1 1 55 55 SER HA H 55 4.163 4.163 4.335 -0.172 25542 864 1 3 . 1 1 55 55 SER C C 55 177.387 177.387 175.787 1.600 25542 865 1 3 . 1 1 55 55 SER CA C 55 59.440 59.440 59.258 0.182 25542 866 1 3 . 1 1 55 55 SER CB C 55 63.319 63.319 63.599 -0.280 25542 867 1 3 . 1 1 55 55 SER H H 55 7.920 7.920 8.517 -0.597 25542 868 1 3 . 1 1 56 56 LYS N N 56 122.086 122.086 118.571 3.515 25542 869 1 3 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.118 0.043 25542 870 1 3 . 1 1 56 56 LYS C C 56 174.830 174.830 175.256 -0.426 25542 871 1 3 . 1 1 56 56 LYS CA C 56 57.069 57.069 57.539 -0.470 25542 872 1 3 . 1 1 56 56 LYS CB C 56 32.787 32.787 30.541 2.246 25542 873 1 3 . 1 1 56 56 LYS H H 56 7.907 7.907 8.676 -0.769 25542 874 1 3 . 1 1 57 57 ASN N N 57 118.385 118.385 116.501 1.884 25542 875 1 3 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.828 -0.301 25542 876 1 3 . 1 1 57 57 ASN C C 57 175.845 175.845 174.688 1.157 25542 877 1 3 . 1 1 57 57 ASN CA C 57 53.348 53.348 52.184 1.164 25542 878 1 3 . 1 1 57 57 ASN CB C 57 38.842 38.842 40.280 -1.438 25542 879 1 3 . 1 1 57 57 ASN H H 57 8.019 8.019 7.610 0.409 25542 880 1 3 . 1 1 58 58 LYS N N 58 121.675 121.675 121.046 0.629 25542 881 1 3 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.241 -0.046 25542 882 1 3 . 1 1 58 58 LYS C C 58 175.343 175.343 176.862 -1.519 25542 883 1 3 . 1 1 58 58 LYS CA C 58 56.489 56.489 57.745 -1.256 25542 884 1 3 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.420 0.291 25542 885 1 3 . 1 1 58 58 LYS H H 58 8.039 8.039 8.598 -0.559 25542 886 1 3 . 1 1 59 59 LYS N N 59 123.434 123.434 119.595 3.839 25542 887 1 3 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.392 -0.167 25542 888 1 3 . 1 1 59 59 LYS C C 59 172.827 172.827 176.065 -3.238 25542 889 1 3 . 1 1 59 59 LYS CA C 59 56.213 56.213 55.247 0.966 25542 890 1 3 . 1 1 59 59 LYS CB C 59 32.913 32.913 30.471 2.442 25542 891 1 3 . 1 1 59 59 LYS H H 59 8.348 8.348 8.308 0.040 25542 892 1 4 . 1 1 10 10 THR N N 10 114.478 114.478 118.236 -3.758 25542 893 1 4 . 1 1 10 10 THR HA H 10 4.249 4.249 4.313 -0.064 25542 894 1 4 . 1 1 10 10 THR C C 10 171.741 171.741 175.035 -3.294 25542 895 1 4 . 1 1 10 10 THR CA C 10 62.036 62.036 61.891 0.145 25542 896 1 4 . 1 1 10 10 THR CB C 10 69.784 69.784 69.344 0.440 25542 897 1 4 . 1 1 10 10 THR H H 10 8.118 8.118 8.240 -0.122 25542 898 1 4 . 1 1 11 11 LYS N N 11 124.759 124.759 125.996 -1.237 25542 899 1 4 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.412 -0.241 25542 900 1 4 . 1 1 11 11 LYS C C 11 172.964 172.964 177.018 -4.054 25542 901 1 4 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.673 0.512 25542 902 1 4 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.286 -0.467 25542 903 1 4 . 1 1 11 11 LYS H H 11 8.442 8.442 8.432 0.010 25542 904 1 4 . 1 1 12 12 LYS N N 12 123.320 123.320 119.613 3.707 25542 905 1 4 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.284 -0.168 25542 906 1 4 . 1 1 12 12 LYS C C 12 173.147 173.147 177.061 -3.914 25542 907 1 4 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.459 -1.151 25542 908 1 4 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.708 0.497 25542 909 1 4 . 1 1 12 12 LYS H H 12 8.239 8.239 8.424 -0.185 25542 910 1 4 . 1 1 13 13 TYR N N 13 119.413 119.413 118.547 0.866 25542 911 1 4 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.630 -0.218 25542 912 1 4 . 1 1 13 13 TYR C C 13 172.016 172.016 174.842 -2.826 25542 913 1 4 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.304 0.074 25542 914 1 4 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.166 -0.220 25542 915 1 4 . 1 1 13 13 TYR H H 13 8.286 8.286 7.863 0.423 25542 916 1 4 . 1 1 14 14 ASP N N 14 120.647 120.647 123.681 -3.034 25542 917 1 4 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.864 -0.177 25542 918 1 4 . 1 1 14 14 ASP C C 14 173.276 173.276 175.113 -1.837 25542 919 1 4 . 1 1 14 14 ASP CA C 14 52.636 52.636 53.965 -1.329 25542 920 1 4 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.942 -1.737 25542 921 1 4 . 1 1 14 14 ASP H H 14 8.611 8.611 8.486 0.125 25542 922 1 4 . 1 1 15 15 LEU N N 15 126.198 126.198 125.812 0.386 25542 923 1 4 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.710 -0.977 25542 924 1 4 . 1 1 15 15 LEU C C 15 175.592 175.592 177.163 -1.571 25542 925 1 4 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.996 -0.621 25542 926 1 4 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.249 -1.303 25542 927 1 4 . 1 1 15 15 LEU H H 15 8.877 8.877 8.427 0.450 25542 928 1 4 . 1 1 16 16 SER N N 16 116.464 116.464 118.541 -2.077 25542 929 1 4 . 1 1 16 16 SER HA H 16 4.142 4.142 4.168 -0.026 25542 930 1 4 . 1 1 16 16 SER C C 16 173.247 173.247 174.158 -0.911 25542 931 1 4 . 1 1 16 16 SER CA C 16 61.699 61.699 60.788 0.911 25542 932 1 4 . 1 1 16 16 SER CB C 16 62.708 62.708 63.754 -1.046 25542 933 1 4 . 1 1 16 16 SER H H 16 8.132 8.132 8.371 -0.239 25542 934 1 4 . 1 1 17 17 LYS N N 17 118.179 118.179 119.533 -1.354 25542 935 1 4 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.526 -0.025 25542 936 1 4 . 1 1 17 17 LYS C C 17 175.079 175.079 175.252 -0.173 25542 937 1 4 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.426 -1.232 25542 938 1 4 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.709 -1.656 25542 939 1 4 . 1 1 17 17 LYS H H 17 8.496 8.496 8.070 0.426 25542 940 1 4 . 1 1 18 18 TRP N N 18 121.857 121.857 124.180 -2.323 25542 941 1 4 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.012 -0.420 25542 942 1 4 . 1 1 18 18 TRP C C 18 174.862 174.862 175.126 -0.264 25542 943 1 4 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.700 2.485 25542 944 1 4 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.192 -3.560 25542 945 1 4 . 1 1 18 18 TRP H H 18 7.830 7.830 8.537 -0.707 25542 946 1 4 . 1 1 19 19 LYS N N 19 123.014 123.014 120.183 2.831 25542 947 1 4 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.516 0.029 25542 948 1 4 . 1 1 19 19 LYS C C 19 175.094 175.094 177.678 -2.584 25542 949 1 4 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.510 0.759 25542 950 1 4 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.931 -0.840 25542 951 1 4 . 1 1 19 19 LYS H H 19 9.533 9.533 8.680 0.853 25542 952 1 4 . 1 1 20 20 TYR N N 20 124.553 124.553 122.923 1.630 25542 953 1 4 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.214 -0.199 25542 954 1 4 . 1 1 20 20 TYR C C 20 174.531 174.531 177.241 -2.710 25542 955 1 4 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.938 0.199 25542 956 1 4 . 1 1 20 20 TYR CB C 20 38.114 38.114 38.418 -0.304 25542 957 1 4 . 1 1 20 20 TYR H H 20 9.400 9.400 8.858 0.542 25542 958 1 4 . 1 1 21 21 ALA N N 21 117.974 117.974 122.124 -4.150 25542 959 1 4 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.160 -0.343 25542 960 1 4 . 1 1 21 21 ALA C C 21 176.314 176.314 179.117 -2.803 25542 961 1 4 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.592 -0.240 25542 962 1 4 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.446 1.161 25542 963 1 4 . 1 1 21 21 ALA H H 21 8.991 8.991 8.591 0.400 25542 964 1 4 . 1 1 22 22 GLU N N 22 115.300 115.300 119.004 -3.704 25542 965 1 4 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.996 0.111 25542 966 1 4 . 1 1 22 22 GLU C C 22 177.380 177.380 179.081 -1.701 25542 967 1 4 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.846 -0.416 25542 968 1 4 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.735 1.135 25542 969 1 4 . 1 1 22 22 GLU H H 22 6.842 6.842 8.599 -1.757 25542 970 1 4 . 1 1 23 23 LEU N N 23 122.086 122.086 122.202 -0.116 25542 971 1 4 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.148 0.018 25542 972 1 4 . 1 1 23 23 LEU C C 23 174.830 174.830 179.123 -4.293 25542 973 1 4 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.602 0.041 25542 974 1 4 . 1 1 23 23 LEU CB C 23 43.111 43.111 41.976 1.135 25542 975 1 4 . 1 1 23 23 LEU H H 23 7.906 7.906 8.346 -0.440 25542 976 1 4 . 1 1 24 24 ARG N N 24 117.974 117.974 118.914 -0.940 25542 977 1 4 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.692 -0.033 25542 978 1 4 . 1 1 24 24 ARG C C 24 175.240 175.240 178.303 -3.063 25542 979 1 4 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.846 -0.815 25542 980 1 4 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.983 -0.149 25542 981 1 4 . 1 1 24 24 ARG H H 24 8.220 8.220 7.977 0.243 25542 982 1 4 . 1 1 25 25 ASP N N 25 118.179 118.179 118.045 0.134 25542 983 1 4 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.399 -0.013 25542 984 1 4 . 1 1 25 25 ASP C C 25 176.554 176.554 179.381 -2.827 25542 985 1 4 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.416 -0.129 25542 986 1 4 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.773 -0.731 25542 987 1 4 . 1 1 25 25 ASP H H 25 8.482 8.482 8.302 0.180 25542 988 1 4 . 1 1 26 26 THR N N 26 118.385 118.385 116.932 1.453 25542 989 1 4 . 1 1 26 26 THR HA H 26 3.900 3.900 4.052 -0.152 25542 990 1 4 . 1 1 26 26 THR C C 26 173.365 173.365 176.726 -3.361 25542 991 1 4 . 1 1 26 26 THR CA C 26 67.774 67.774 66.629 1.145 25542 992 1 4 . 1 1 26 26 THR CB C 26 67.779 67.779 68.885 -1.107 25542 993 1 4 . 1 1 26 26 THR H H 26 7.930 7.930 8.541 -0.611 25542 994 1 4 . 1 1 27 27 ILE N N 27 122.497 122.497 119.902 2.595 25542 995 1 4 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.837 -0.192 25542 996 1 4 . 1 1 27 27 ILE C C 27 174.485 174.485 176.053 -1.568 25542 997 1 4 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.523 1.095 25542 998 1 4 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.914 -0.262 25542 999 1 4 . 1 1 27 27 ILE H H 27 8.145 8.145 7.961 0.184 25542 1000 1 4 . 1 1 28 28 ASN N N 28 115.095 115.095 115.414 -0.319 25542 1001 1 4 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.716 -0.094 25542 1002 1 4 . 1 1 28 28 ASN C C 28 173.902 173.902 176.075 -2.173 25542 1003 1 4 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.025 0.404 25542 1004 1 4 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.729 -0.560 25542 1005 1 4 . 1 1 28 28 ASN H H 28 7.700 7.700 8.039 -0.339 25542 1006 1 4 . 1 1 29 29 THR N N 29 107.692 107.692 109.350 -1.658 25542 1007 1 4 . 1 1 29 29 THR HA H 29 4.606 4.606 4.560 0.046 25542 1008 1 4 . 1 1 29 29 THR C C 29 172.290 172.290 175.335 -3.045 25542 1009 1 4 . 1 1 29 29 THR CA C 29 62.629 62.629 62.153 0.476 25542 1010 1 4 . 1 1 29 29 THR CB C 29 72.232 72.232 70.170 2.062 25542 1011 1 4 . 1 1 29 29 THR H H 29 7.592 7.592 8.219 -0.627 25542 1012 1 4 . 1 1 30 30 SER N N 30 117.670 117.670 118.025 -0.355 25542 1013 1 4 . 1 1 30 30 SER HA H 30 4.298 4.298 4.646 -0.348 25542 1014 1 4 . 1 1 30 30 SER C C 30 172.473 172.473 172.887 -0.414 25542 1015 1 4 . 1 1 30 30 SER CA C 30 59.633 59.633 58.428 1.205 25542 1016 1 4 . 1 1 30 30 SER CB C 30 64.278 64.278 64.647 -0.369 25542 1017 1 4 . 1 1 30 30 SER H H 30 8.701 8.701 8.204 0.497 25542 1018 1 4 . 1 1 31 31 CYS N N 31 121.263 121.263 119.836 1.427 25542 1019 1 4 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.643 0.138 25542 1020 1 4 . 1 1 31 31 CYS C C 31 170.861 170.861 172.553 -1.692 25542 1021 1 4 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.267 -1.862 25542 1022 1 4 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.988 -0.685 25542 1023 1 4 . 1 1 31 31 CYS H H 31 8.719 8.719 8.421 0.298 25542 1024 1 4 . 1 1 32 32 ASP N N 32 124.542 124.542 126.774 -2.232 25542 1025 1 4 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.747 -0.125 25542 1026 1 4 . 1 1 32 32 ASP C C 32 172.541 172.541 176.300 -3.759 25542 1027 1 4 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.002 -0.848 25542 1028 1 4 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.777 -1.536 25542 1029 1 4 . 1 1 32 32 ASP H H 32 8.551 8.551 8.228 0.323 25542 1030 1 4 . 1 1 33 33 ILE N N 33 125.170 125.170 121.871 3.299 25542 1031 1 4 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.558 0.136 25542 1032 1 4 . 1 1 33 33 ILE C C 33 175.743 175.743 176.778 -1.035 25542 1033 1 4 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.377 0.359 25542 1034 1 4 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.850 -0.035 25542 1035 1 4 . 1 1 33 33 ILE H H 33 8.464 8.464 8.541 -0.077 25542 1036 1 4 . 1 1 34 34 GLU N N 34 121.058 121.058 119.252 1.806 25542 1037 1 4 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.766 0.376 25542 1038 1 4 . 1 1 34 34 GLU C C 34 176.406 176.406 178.149 -1.743 25542 1039 1 4 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.525 0.586 25542 1040 1 4 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.682 1.040 25542 1041 1 4 . 1 1 34 34 GLU H H 34 8.186 8.186 7.775 0.411 25542 1042 1 4 . 1 1 35 35 LEU N N 35 124.965 124.965 121.211 3.754 25542 1043 1 4 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.871 -0.236 25542 1044 1 4 . 1 1 35 35 LEU C C 35 176.399 176.399 178.819 -2.420 25542 1045 1 4 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.383 -0.353 25542 1046 1 4 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.141 -0.159 25542 1047 1 4 . 1 1 35 35 LEU H H 35 7.849 7.849 7.837 0.012 25542 1048 1 4 . 1 1 36 36 LEU N N 36 120.453 120.453 117.974 2.479 25542 1049 1 4 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.739 -0.060 25542 1050 1 4 . 1 1 36 36 LEU C C 36 176.280 176.280 178.853 -2.573 25542 1051 1 4 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.006 0.729 25542 1052 1 4 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.664 1.805 25542 1053 1 4 . 1 1 36 36 LEU H H 36 8.867 8.867 8.672 0.195 25542 1054 1 4 . 1 1 37 37 ALA N N 37 120.030 120.030 121.746 -1.716 25542 1055 1 4 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.779 0.229 25542 1056 1 4 . 1 1 37 37 ALA C C 37 177.606 177.606 179.368 -1.762 25542 1057 1 4 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.084 0.017 25542 1058 1 4 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.694 -0.053 25542 1059 1 4 . 1 1 37 37 ALA H H 37 7.624 7.624 7.854 -0.230 25542 1060 1 4 . 1 1 38 38 ALA N N 38 121.675 121.675 120.854 0.821 25542 1061 1 4 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.870 0.240 25542 1062 1 4 . 1 1 38 38 ALA C C 38 178.452 178.452 178.649 -0.197 25542 1063 1 4 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.874 -0.045 25542 1064 1 4 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.152 -0.145 25542 1065 1 4 . 1 1 38 38 ALA H H 38 7.681 7.681 8.350 -0.669 25542 1066 1 4 . 1 1 39 39 CYS N N 39 119.413 119.413 118.086 1.327 25542 1067 1 4 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.943 -0.198 25542 1068 1 4 . 1 1 39 39 CYS C C 39 173.860 173.860 176.778 -2.918 25542 1069 1 4 . 1 1 39 39 CYS CA C 39 63.819 63.819 61.886 1.933 25542 1070 1 4 . 1 1 39 39 CYS CB C 39 27.310 27.310 26.451 0.859 25542 1071 1 4 . 1 1 39 39 CYS H H 39 8.806 8.806 8.240 0.566 25542 1072 1 4 . 1 1 40 40 ARG N N 40 119.824 119.824 120.332 -0.508 25542 1073 1 4 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.918 0.001 25542 1074 1 4 . 1 1 40 40 ARG C C 40 176.108 176.108 178.299 -2.191 25542 1075 1 4 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.968 0.564 25542 1076 1 4 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.065 -0.219 25542 1077 1 4 . 1 1 40 40 ARG H H 40 8.382 8.382 8.664 -0.282 25542 1078 1 4 . 1 1 41 41 GLU N N 41 119.618 119.618 118.961 0.657 25542 1079 1 4 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.014 0.073 25542 1080 1 4 . 1 1 41 41 GLU C C 41 171.786 171.786 179.376 -7.590 25542 1081 1 4 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.629 -0.429 25542 1082 1 4 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.123 0.154 25542 1083 1 4 . 1 1 41 41 GLU H H 41 7.949 7.949 8.164 -0.215 25542 1084 1 4 . 1 1 42 42 GLU N N 42 121.469 121.469 119.832 1.637 25542 1085 1 4 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.120 0.190 25542 1086 1 4 . 1 1 42 42 GLU C C 42 173.408 173.408 179.199 -5.791 25542 1087 1 4 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.193 -0.934 25542 1088 1 4 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.188 -1.046 25542 1089 1 4 . 1 1 42 42 GLU H H 42 7.980 7.980 8.190 -0.210 25542 1090 1 4 . 1 1 43 43 PHE N N 43 119.824 119.824 120.148 -0.324 25542 1091 1 4 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.143 -0.029 25542 1092 1 4 . 1 1 43 43 PHE C C 43 175.299 175.299 177.708 -2.409 25542 1093 1 4 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.811 -0.148 25542 1094 1 4 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.844 0.362 25542 1095 1 4 . 1 1 43 43 PHE H H 43 8.717 8.717 8.788 -0.071 25542 1096 1 4 . 1 1 44 44 HIS N N 44 116.534 116.534 119.170 -2.636 25542 1097 1 4 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.181 0.100 25542 1098 1 4 . 1 1 44 44 HIS C C 44 174.771 174.771 177.402 -2.631 25542 1099 1 4 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.694 -1.157 25542 1100 1 4 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.084 -0.582 25542 1101 1 4 . 1 1 44 44 HIS H H 44 8.105 8.105 9.029 -0.924 25542 1102 1 4 . 1 1 45 45 ARG N N 45 120.875 120.875 119.571 1.304 25542 1103 1 4 . 1 1 45 45 ARG HA H 45 3.923 3.923 3.906 0.017 25542 1104 1 4 . 1 1 45 45 ARG C C 45 176.310 176.310 178.280 -1.970 25542 1105 1 4 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.818 -0.052 25542 1106 1 4 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.129 0.150 25542 1107 1 4 . 1 1 45 45 ARG H H 45 8.278 8.278 8.355 -0.077 25542 1108 1 4 . 1 1 46 46 ARG N N 46 116.740 116.740 120.167 -3.427 25542 1109 1 4 . 1 1 46 46 ARG HA H 46 3.959 3.959 3.922 0.037 25542 1110 1 4 . 1 1 46 46 ARG C C 46 176.046 176.046 178.842 -2.796 25542 1111 1 4 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.331 -0.497 25542 1112 1 4 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.922 -0.064 25542 1113 1 4 . 1 1 46 46 ARG H H 46 8.068 8.068 8.037 0.031 25542 1114 1 4 . 1 1 47 47 LEU N N 47 120.441 120.441 120.544 -0.103 25542 1115 1 4 . 1 1 47 47 LEU HA H 47 3.931 3.931 3.939 -0.008 25542 1116 1 4 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.031 1.735 25542 1117 1 4 . 1 1 47 47 LEU CB C 47 41.625 41.625 40.984 0.641 25542 1118 1 4 . 1 1 47 47 LEU H H 47 7.868 7.868 8.382 -0.514 25542 1119 1 4 . 1 1 48 48 LYS N N 48 119.413 119.413 119.425 -0.012 25542 1120 1 4 . 1 1 48 48 LYS HA H 48 4.079 4.079 3.902 0.177 25542 1121 1 4 . 1 1 48 48 LYS C C 48 176.354 176.354 179.177 -2.823 25542 1122 1 4 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.788 -1.631 25542 1123 1 4 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.414 -0.350 25542 1124 1 4 . 1 1 48 48 LYS H H 48 7.784 7.784 7.839 -0.055 25542 1125 1 4 . 1 1 49 49 VAL N N 49 119.618 119.618 119.515 0.103 25542 1126 1 4 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.459 0.369 25542 1127 1 4 . 1 1 49 49 VAL C C 49 174.195 174.195 177.688 -3.493 25542 1128 1 4 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.829 -1.910 25542 1129 1 4 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.890 1.419 25542 1130 1 4 . 1 1 49 49 VAL H H 49 7.767 7.767 8.509 -0.742 25542 1131 1 4 . 1 1 50 50 TYR N N 50 122.497 122.497 120.693 1.804 25542 1132 1 4 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.971 0.193 25542 1133 1 4 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.147 -2.845 25542 1134 1 4 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.322 -0.035 25542 1135 1 4 . 1 1 50 50 TYR H H 50 8.142 8.142 8.700 -0.558 25542 1136 1 4 . 1 1 51 51 HIS N N 51 119.002 119.002 119.034 -0.032 25542 1137 1 4 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.303 -0.083 25542 1138 1 4 . 1 1 51 51 HIS C C 51 174.214 174.214 176.498 -2.284 25542 1139 1 4 . 1 1 51 51 HIS CA C 51 57.428 57.428 59.561 -2.133 25542 1140 1 4 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.146 -0.047 25542 1141 1 4 . 1 1 51 51 HIS H H 51 8.427 8.427 8.357 0.070 25542 1142 1 4 . 1 1 52 52 ALA N N 52 123.731 123.731 122.237 1.494 25542 1143 1 4 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.276 -0.135 25542 1144 1 4 . 1 1 52 52 ALA C C 52 176.134 176.134 179.251 -3.117 25542 1145 1 4 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.933 0.165 25542 1146 1 4 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.769 -0.574 25542 1147 1 4 . 1 1 52 52 ALA H H 52 8.072 8.072 7.993 0.079 25542 1148 1 4 . 1 1 53 53 TRP N N 53 120.614 120.614 119.024 1.590 25542 1149 1 4 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.334 0.015 25542 1150 1 4 . 1 1 53 53 TRP C C 53 173.394 173.394 176.419 -3.025 25542 1151 1 4 . 1 1 53 53 TRP CA C 53 58.776 58.776 57.184 1.592 25542 1152 1 4 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.265 -0.605 25542 1153 1 4 . 1 1 53 53 TRP H H 53 8.045 8.045 8.418 -0.373 25542 1154 1 4 . 1 1 54 54 LYS N N 54 121.675 121.675 117.558 4.117 25542 1155 1 4 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.520 0.659 25542 1156 1 4 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.007 -0.918 25542 1157 1 4 . 1 1 54 54 LYS CB C 54 32.064 32.064 31.053 1.011 25542 1158 1 4 . 1 1 54 54 LYS H H 54 8.230 8.230 8.021 0.209 25542 1159 1 4 . 1 1 55 55 SER N N 55 114.683 114.683 121.130 -6.447 25542 1160 1 4 . 1 1 55 55 SER HA H 55 4.163 4.163 4.453 -0.290 25542 1161 1 4 . 1 1 55 55 SER C C 55 177.387 177.387 174.714 2.673 25542 1162 1 4 . 1 1 55 55 SER CA C 55 59.440 59.440 58.316 1.125 25542 1163 1 4 . 1 1 55 55 SER CB C 55 63.319 63.319 64.539 -1.220 25542 1164 1 4 . 1 1 55 55 SER H H 55 7.920 7.920 8.463 -0.543 25542 1165 1 4 . 1 1 56 56 LYS N N 56 122.086 122.086 120.011 2.075 25542 1166 1 4 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.082 0.079 25542 1167 1 4 . 1 1 56 56 LYS C C 56 174.830 174.830 174.827 0.003 25542 1168 1 4 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.699 0.370 25542 1169 1 4 . 1 1 56 56 LYS CB C 56 32.787 32.787 30.202 2.585 25542 1170 1 4 . 1 1 56 56 LYS H H 56 7.907 7.907 8.552 -0.645 25542 1171 1 4 . 1 1 57 57 ASN N N 57 118.385 118.385 116.944 1.441 25542 1172 1 4 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.401 0.126 25542 1173 1 4 . 1 1 57 57 ASN C C 57 175.845 175.845 174.979 0.866 25542 1174 1 4 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.735 -0.387 25542 1175 1 4 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.416 0.425 25542 1176 1 4 . 1 1 57 57 ASN H H 57 8.019 8.019 8.358 -0.339 25542 1177 1 4 . 1 1 58 58 LYS N N 58 121.675 121.675 121.847 -0.172 25542 1178 1 4 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.078 0.117 25542 1179 1 4 . 1 1 58 58 LYS C C 58 175.343 175.343 176.615 -1.272 25542 1180 1 4 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.976 -0.487 25542 1181 1 4 . 1 1 58 58 LYS CB C 58 32.711 32.711 33.146 -0.435 25542 1182 1 4 . 1 1 58 58 LYS H H 58 8.039 8.039 8.115 -0.076 25542 1183 1 4 . 1 1 59 59 LYS N N 59 123.434 123.434 120.455 2.979 25542 1184 1 4 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.116 0.109 25542 1185 1 4 . 1 1 59 59 LYS C C 59 172.827 172.827 176.304 -3.477 25542 1186 1 4 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.862 -0.649 25542 1187 1 4 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.871 0.042 25542 1188 1 4 . 1 1 59 59 LYS H H 59 8.348 8.348 8.200 0.148 25542 1189 1 5 . 1 1 10 10 THR N N 10 114.478 114.478 116.939 -2.461 25542 1190 1 5 . 1 1 10 10 THR HA H 10 4.249 4.249 4.563 -0.314 25542 1191 1 5 . 1 1 10 10 THR C C 10 171.741 171.741 175.637 -3.896 25542 1192 1 5 . 1 1 10 10 THR CA C 10 62.036 62.036 61.255 0.781 25542 1193 1 5 . 1 1 10 10 THR CB C 10 69.784 69.784 69.660 0.124 25542 1194 1 5 . 1 1 10 10 THR H H 10 8.118 8.118 8.208 -0.090 25542 1195 1 5 . 1 1 11 11 LYS N N 11 124.759 124.759 121.479 3.280 25542 1196 1 5 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.316 -0.145 25542 1197 1 5 . 1 1 11 11 LYS C C 11 172.964 172.964 176.853 -3.889 25542 1198 1 5 . 1 1 11 11 LYS CA C 11 56.185 56.185 57.413 -1.228 25542 1199 1 5 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.236 0.583 25542 1200 1 5 . 1 1 11 11 LYS H H 11 8.442 8.442 8.655 -0.213 25542 1201 1 5 . 1 1 12 12 LYS N N 12 123.320 123.320 116.949 6.371 25542 1202 1 5 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.443 -0.327 25542 1203 1 5 . 1 1 12 12 LYS C C 12 173.147 173.147 175.931 -2.784 25542 1204 1 5 . 1 1 12 12 LYS CA C 12 56.308 56.308 56.353 -0.045 25542 1205 1 5 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.781 -0.576 25542 1206 1 5 . 1 1 12 12 LYS H H 12 8.239 8.239 8.468 -0.229 25542 1207 1 5 . 1 1 13 13 TYR N N 13 119.413 119.413 119.647 -0.234 25542 1208 1 5 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.641 -0.229 25542 1209 1 5 . 1 1 13 13 TYR C C 13 172.016 172.016 173.897 -1.881 25542 1210 1 5 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.407 -0.029 25542 1211 1 5 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.765 -0.819 25542 1212 1 5 . 1 1 13 13 TYR H H 13 8.286 8.286 7.907 0.379 25542 1213 1 5 . 1 1 14 14 ASP N N 14 120.647 120.647 121.683 -1.036 25542 1214 1 5 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.857 -0.170 25542 1215 1 5 . 1 1 14 14 ASP C C 14 173.276 173.276 175.045 -1.769 25542 1216 1 5 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.222 -1.586 25542 1217 1 5 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.868 -1.663 25542 1218 1 5 . 1 1 14 14 ASP H H 14 8.611 8.611 8.603 0.008 25542 1219 1 5 . 1 1 15 15 LEU N N 15 126.198 126.198 125.820 0.378 25542 1220 1 5 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.699 -0.966 25542 1221 1 5 . 1 1 15 15 LEU C C 15 175.592 175.592 177.296 -1.704 25542 1222 1 5 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.983 -0.607 25542 1223 1 5 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.362 -1.416 25542 1224 1 5 . 1 1 15 15 LEU H H 15 8.877 8.877 8.197 0.680 25542 1225 1 5 . 1 1 16 16 SER N N 16 116.464 116.464 116.980 -0.516 25542 1226 1 5 . 1 1 16 16 SER HA H 16 4.142 4.142 4.153 -0.011 25542 1227 1 5 . 1 1 16 16 SER C C 16 173.247 173.247 174.217 -0.970 25542 1228 1 5 . 1 1 16 16 SER CA C 16 61.699 61.699 60.540 1.159 25542 1229 1 5 . 1 1 16 16 SER CB C 16 62.708 62.708 63.846 -1.137 25542 1230 1 5 . 1 1 16 16 SER H H 16 8.132 8.132 8.337 -0.205 25542 1231 1 5 . 1 1 17 17 LYS N N 17 118.179 118.179 118.773 -0.594 25542 1232 1 5 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.569 -0.068 25542 1233 1 5 . 1 1 17 17 LYS C C 17 175.079 175.079 174.700 0.379 25542 1234 1 5 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.060 -0.866 25542 1235 1 5 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.397 -1.344 25542 1236 1 5 . 1 1 17 17 LYS H H 17 8.496 8.496 7.992 0.504 25542 1237 1 5 . 1 1 18 18 TRP N N 18 121.857 121.857 123.727 -1.870 25542 1238 1 5 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.007 -0.415 25542 1239 1 5 . 1 1 18 18 TRP C C 18 174.862 174.862 176.200 -1.338 25542 1240 1 5 . 1 1 18 18 TRP CA C 18 58.185 58.185 54.861 3.325 25542 1241 1 5 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.446 -3.814 25542 1242 1 5 . 1 1 18 18 TRP H H 18 7.830 7.830 8.650 -0.820 25542 1243 1 5 . 1 1 19 19 LYS N N 19 123.014 123.014 120.058 2.956 25542 1244 1 5 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.679 -0.134 25542 1245 1 5 . 1 1 19 19 LYS C C 19 175.094 175.094 177.503 -2.409 25542 1246 1 5 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.117 1.151 25542 1247 1 5 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.342 -0.251 25542 1248 1 5 . 1 1 19 19 LYS H H 19 9.533 9.533 8.980 0.553 25542 1249 1 5 . 1 1 20 20 TYR N N 20 124.553 124.553 121.332 3.221 25542 1250 1 5 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.149 -0.134 25542 1251 1 5 . 1 1 20 20 TYR C C 20 174.531 174.531 177.284 -2.753 25542 1252 1 5 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.249 1.888 25542 1253 1 5 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.986 1.127 25542 1254 1 5 . 1 1 20 20 TYR H H 20 9.400 9.400 8.784 0.616 25542 1255 1 5 . 1 1 21 21 ALA N N 21 117.974 117.974 123.047 -5.073 25542 1256 1 5 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.013 -0.196 25542 1257 1 5 . 1 1 21 21 ALA C C 21 176.314 176.314 179.190 -2.876 25542 1258 1 5 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.258 0.094 25542 1259 1 5 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.152 1.455 25542 1260 1 5 . 1 1 21 21 ALA H H 21 8.991 8.991 7.275 1.716 25542 1261 1 5 . 1 1 22 22 GLU N N 22 115.300 115.300 118.969 -3.669 25542 1262 1 5 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.958 0.149 25542 1263 1 5 . 1 1 22 22 GLU C C 22 177.380 177.380 179.100 -1.720 25542 1264 1 5 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.829 -0.399 25542 1265 1 5 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.672 1.198 25542 1266 1 5 . 1 1 22 22 GLU H H 22 6.842 6.842 8.392 -1.550 25542 1267 1 5 . 1 1 23 23 LEU N N 23 122.086 122.086 122.190 -0.104 25542 1268 1 5 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.229 -0.063 25542 1269 1 5 . 1 1 23 23 LEU C C 23 174.830 174.830 179.298 -4.468 25542 1270 1 5 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.752 -0.109 25542 1271 1 5 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.154 0.957 25542 1272 1 5 . 1 1 23 23 LEU H H 23 7.906 7.906 8.381 -0.475 25542 1273 1 5 . 1 1 24 24 ARG N N 24 117.974 117.974 119.064 -1.090 25542 1274 1 5 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.911 -0.252 25542 1275 1 5 . 1 1 24 24 ARG C C 24 175.240 175.240 178.437 -3.197 25542 1276 1 5 . 1 1 24 24 ARG CA C 24 59.031 59.031 60.042 -1.011 25542 1277 1 5 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.208 -0.374 25542 1278 1 5 . 1 1 24 24 ARG H H 24 8.220 8.220 8.258 -0.038 25542 1279 1 5 . 1 1 25 25 ASP N N 25 118.179 118.179 118.545 -0.366 25542 1280 1 5 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.413 -0.027 25542 1281 1 5 . 1 1 25 25 ASP C C 25 176.554 176.554 178.523 -1.969 25542 1282 1 5 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.502 -0.215 25542 1283 1 5 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.846 -0.804 25542 1284 1 5 . 1 1 25 25 ASP H H 25 8.482 8.482 8.301 0.181 25542 1285 1 5 . 1 1 26 26 THR N N 26 118.385 118.385 116.570 1.815 25542 1286 1 5 . 1 1 26 26 THR HA H 26 3.900 3.900 4.041 -0.141 25542 1287 1 5 . 1 1 26 26 THR C C 26 173.365 173.365 176.952 -3.587 25542 1288 1 5 . 1 1 26 26 THR CA C 26 67.774 67.774 66.507 1.267 25542 1289 1 5 . 1 1 26 26 THR CB C 26 67.779 67.779 69.154 -1.375 25542 1290 1 5 . 1 1 26 26 THR H H 26 7.930 7.930 8.458 -0.528 25542 1291 1 5 . 1 1 27 27 ILE N N 27 122.497 122.497 119.575 2.922 25542 1292 1 5 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.915 -0.270 25542 1293 1 5 . 1 1 27 27 ILE C C 27 174.485 174.485 176.129 -1.644 25542 1294 1 5 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.470 1.148 25542 1295 1 5 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.189 -0.537 25542 1296 1 5 . 1 1 27 27 ILE H H 27 8.145 8.145 7.997 0.148 25542 1297 1 5 . 1 1 28 28 ASN N N 28 115.095 115.095 115.486 -0.391 25542 1298 1 5 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.737 -0.115 25542 1299 1 5 . 1 1 28 28 ASN C C 28 173.902 173.902 176.145 -2.243 25542 1300 1 5 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.103 0.326 25542 1301 1 5 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.727 -0.558 25542 1302 1 5 . 1 1 28 28 ASN H H 28 7.700 7.700 8.082 -0.382 25542 1303 1 5 . 1 1 29 29 THR N N 29 107.692 107.692 109.435 -1.743 25542 1304 1 5 . 1 1 29 29 THR HA H 29 4.606 4.606 4.568 0.038 25542 1305 1 5 . 1 1 29 29 THR C C 29 172.290 172.290 175.358 -3.068 25542 1306 1 5 . 1 1 29 29 THR CA C 29 62.629 62.629 62.213 0.416 25542 1307 1 5 . 1 1 29 29 THR CB C 29 72.232 72.232 70.176 2.056 25542 1308 1 5 . 1 1 29 29 THR H H 29 7.592 7.592 8.235 -0.643 25542 1309 1 5 . 1 1 30 30 SER N N 30 117.670 117.670 118.162 -0.492 25542 1310 1 5 . 1 1 30 30 SER HA H 30 4.298 4.298 4.678 -0.380 25542 1311 1 5 . 1 1 30 30 SER C C 30 172.473 172.473 172.890 -0.417 25542 1312 1 5 . 1 1 30 30 SER CA C 30 59.633 59.633 58.453 1.180 25542 1313 1 5 . 1 1 30 30 SER CB C 30 64.278 64.278 64.636 -0.358 25542 1314 1 5 . 1 1 30 30 SER H H 30 8.701 8.701 8.251 0.450 25542 1315 1 5 . 1 1 31 31 CYS N N 31 121.263 121.263 119.710 1.553 25542 1316 1 5 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.679 0.102 25542 1317 1 5 . 1 1 31 31 CYS C C 31 170.861 170.861 172.575 -1.714 25542 1318 1 5 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.364 -1.959 25542 1319 1 5 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.970 -0.667 25542 1320 1 5 . 1 1 31 31 CYS H H 31 8.719 8.719 8.411 0.308 25542 1321 1 5 . 1 1 32 32 ASP N N 32 124.542 124.542 126.877 -2.335 25542 1322 1 5 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.785 -0.163 25542 1323 1 5 . 1 1 32 32 ASP C C 32 172.541 172.541 176.394 -3.853 25542 1324 1 5 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.018 -0.864 25542 1325 1 5 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.760 -1.519 25542 1326 1 5 . 1 1 32 32 ASP H H 32 8.551 8.551 8.239 0.312 25542 1327 1 5 . 1 1 33 33 ILE N N 33 125.170 125.170 121.848 3.322 25542 1328 1 5 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.564 0.130 25542 1329 1 5 . 1 1 33 33 ILE C C 33 175.743 175.743 176.819 -1.076 25542 1330 1 5 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.487 0.249 25542 1331 1 5 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.850 -0.035 25542 1332 1 5 . 1 1 33 33 ILE H H 33 8.464 8.464 8.553 -0.089 25542 1333 1 5 . 1 1 34 34 GLU N N 34 121.058 121.058 119.249 1.809 25542 1334 1 5 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.777 0.365 25542 1335 1 5 . 1 1 34 34 GLU C C 34 176.406 176.406 178.269 -1.863 25542 1336 1 5 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.540 0.571 25542 1337 1 5 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.618 1.104 25542 1338 1 5 . 1 1 34 34 GLU H H 34 8.186 8.186 7.836 0.350 25542 1339 1 5 . 1 1 35 35 LEU N N 35 124.965 124.965 121.225 3.740 25542 1340 1 5 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.972 -0.337 25542 1341 1 5 . 1 1 35 35 LEU C C 35 176.399 176.399 178.919 -2.520 25542 1342 1 5 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.431 -0.402 25542 1343 1 5 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.205 -0.223 25542 1344 1 5 . 1 1 35 35 LEU H H 35 7.849 7.849 7.931 -0.082 25542 1345 1 5 . 1 1 36 36 LEU N N 36 120.453 120.453 117.976 2.477 25542 1346 1 5 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.766 -0.087 25542 1347 1 5 . 1 1 36 36 LEU C C 36 176.280 176.280 178.860 -2.580 25542 1348 1 5 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.043 0.692 25542 1349 1 5 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.719 1.750 25542 1350 1 5 . 1 1 36 36 LEU H H 36 8.867 8.867 8.616 0.251 25542 1351 1 5 . 1 1 37 37 ALA N N 37 120.030 120.030 121.636 -1.606 25542 1352 1 5 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.798 0.210 25542 1353 1 5 . 1 1 37 37 ALA C C 37 177.606 177.606 179.365 -1.759 25542 1354 1 5 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.099 0.002 25542 1355 1 5 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.720 -0.078 25542 1356 1 5 . 1 1 37 37 ALA H H 37 7.624 7.624 7.871 -0.247 25542 1357 1 5 . 1 1 38 38 ALA N N 38 121.675 121.675 122.027 -0.352 25542 1358 1 5 . 1 1 38 38 ALA HA H 38 4.110 4.110 4.179 -0.069 25542 1359 1 5 . 1 1 38 38 ALA C C 38 178.452 178.452 179.196 -0.744 25542 1360 1 5 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.710 0.119 25542 1361 1 5 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.153 -0.145 25542 1362 1 5 . 1 1 38 38 ALA H H 38 7.681 7.681 8.405 -0.724 25542 1363 1 5 . 1 1 39 39 CYS N N 39 119.413 119.413 117.778 1.635 25542 1364 1 5 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.884 -0.139 25542 1365 1 5 . 1 1 39 39 CYS C C 39 173.860 173.860 176.877 -3.017 25542 1366 1 5 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.900 -0.081 25542 1367 1 5 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.459 -0.149 25542 1368 1 5 . 1 1 39 39 CYS H H 39 8.806 8.806 8.043 0.763 25542 1369 1 5 . 1 1 40 40 ARG N N 40 119.824 119.824 119.018 0.806 25542 1370 1 5 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.812 0.107 25542 1371 1 5 . 1 1 40 40 ARG C C 40 176.108 176.108 178.717 -2.609 25542 1372 1 5 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.155 0.377 25542 1373 1 5 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.982 -0.136 25542 1374 1 5 . 1 1 40 40 ARG H H 40 8.382 8.382 8.488 -0.106 25542 1375 1 5 . 1 1 41 41 GLU N N 41 119.618 119.618 119.141 0.477 25542 1376 1 5 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.938 0.149 25542 1377 1 5 . 1 1 41 41 GLU C C 41 171.786 171.786 179.136 -7.350 25542 1378 1 5 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.863 -0.663 25542 1379 1 5 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.324 -0.047 25542 1380 1 5 . 1 1 41 41 GLU H H 41 7.949 7.949 8.292 -0.343 25542 1381 1 5 . 1 1 42 42 GLU N N 42 121.469 121.469 119.536 1.933 25542 1382 1 5 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.104 0.206 25542 1383 1 5 . 1 1 42 42 GLU C C 42 173.408 173.408 178.920 -5.512 25542 1384 1 5 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.357 -1.098 25542 1385 1 5 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.443 -1.301 25542 1386 1 5 . 1 1 42 42 GLU H H 42 7.980 7.980 8.184 -0.204 25542 1387 1 5 . 1 1 43 43 PHE N N 43 119.824 119.824 120.163 -0.339 25542 1388 1 5 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.087 0.027 25542 1389 1 5 . 1 1 43 43 PHE C C 43 175.299 175.299 177.813 -2.514 25542 1390 1 5 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.949 -0.286 25542 1391 1 5 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.502 0.705 25542 1392 1 5 . 1 1 43 43 PHE H H 43 8.717 8.717 8.786 -0.069 25542 1393 1 5 . 1 1 44 44 HIS N N 44 116.534 116.534 118.573 -2.039 25542 1394 1 5 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.237 0.044 25542 1395 1 5 . 1 1 44 44 HIS C C 44 174.771 174.771 177.898 -3.127 25542 1396 1 5 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.314 -0.777 25542 1397 1 5 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.101 -0.599 25542 1398 1 5 . 1 1 44 44 HIS H H 44 8.105 8.105 8.524 -0.419 25542 1399 1 5 . 1 1 45 45 ARG N N 45 120.875 120.875 119.786 1.089 25542 1400 1 5 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.122 -0.199 25542 1401 1 5 . 1 1 45 45 ARG C C 45 176.310 176.310 178.488 -2.178 25542 1402 1 5 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.635 0.131 25542 1403 1 5 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.244 0.035 25542 1404 1 5 . 1 1 45 45 ARG H H 45 8.278 8.278 8.348 -0.070 25542 1405 1 5 . 1 1 46 46 ARG N N 46 116.740 116.740 119.944 -3.204 25542 1406 1 5 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.071 -0.112 25542 1407 1 5 . 1 1 46 46 ARG C C 46 176.046 176.046 178.999 -2.953 25542 1408 1 5 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.597 -0.763 25542 1409 1 5 . 1 1 46 46 ARG CB C 46 29.858 29.858 30.066 -0.208 25542 1410 1 5 . 1 1 46 46 ARG H H 46 8.068 8.068 8.552 -0.484 25542 1411 1 5 . 1 1 47 47 LEU N N 47 120.441 120.441 118.996 1.445 25542 1412 1 5 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.014 -0.083 25542 1413 1 5 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.807 1.959 25542 1414 1 5 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.653 -0.028 25542 1415 1 5 . 1 1 47 47 LEU H H 47 7.868 7.868 8.373 -0.505 25542 1416 1 5 . 1 1 48 48 LYS N N 48 119.413 119.413 120.820 -1.407 25542 1417 1 5 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.100 -0.021 25542 1418 1 5 . 1 1 48 48 LYS C C 48 176.354 176.354 179.195 -2.841 25542 1419 1 5 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.081 -1.924 25542 1420 1 5 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.865 -0.801 25542 1421 1 5 . 1 1 48 48 LYS H H 48 7.784 7.784 8.053 -0.269 25542 1422 1 5 . 1 1 49 49 VAL N N 49 119.618 119.618 116.681 2.937 25542 1423 1 5 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.737 0.091 25542 1424 1 5 . 1 1 49 49 VAL C C 49 174.195 174.195 177.696 -3.501 25542 1425 1 5 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.401 -1.482 25542 1426 1 5 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.856 0.453 25542 1427 1 5 . 1 1 49 49 VAL H H 49 7.767 7.767 8.664 -0.897 25542 1428 1 5 . 1 1 50 50 TYR N N 50 122.497 122.497 119.958 2.539 25542 1429 1 5 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.994 0.170 25542 1430 1 5 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.789 -2.487 25542 1431 1 5 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.472 -0.187 25542 1432 1 5 . 1 1 50 50 TYR H H 50 8.142 8.142 8.295 -0.153 25542 1433 1 5 . 1 1 51 51 HIS N N 51 119.002 119.002 116.504 2.498 25542 1434 1 5 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.524 -0.304 25542 1435 1 5 . 1 1 51 51 HIS C C 51 174.214 174.214 176.739 -2.525 25542 1436 1 5 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.524 -1.096 25542 1437 1 5 . 1 1 51 51 HIS CB C 51 30.099 30.099 31.302 -1.204 25542 1438 1 5 . 1 1 51 51 HIS H H 51 8.427 8.427 8.122 0.305 25542 1439 1 5 . 1 1 52 52 ALA N N 52 123.731 123.731 122.577 1.154 25542 1440 1 5 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.452 -0.311 25542 1441 1 5 . 1 1 52 52 ALA C C 52 176.134 176.134 179.287 -3.153 25542 1442 1 5 . 1 1 52 52 ALA CA C 52 54.098 54.098 52.503 1.595 25542 1443 1 5 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.367 -0.172 25542 1444 1 5 . 1 1 52 52 ALA H H 52 8.072 8.072 8.569 -0.497 25542 1445 1 5 . 1 1 53 53 TRP N N 53 120.614 120.614 121.043 -0.429 25542 1446 1 5 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.285 0.064 25542 1447 1 5 . 1 1 53 53 TRP C C 53 173.394 173.394 176.544 -3.150 25542 1448 1 5 . 1 1 53 53 TRP CA C 53 58.776 58.776 58.595 0.181 25542 1449 1 5 . 1 1 53 53 TRP CB C 53 28.661 28.661 27.204 1.457 25542 1450 1 5 . 1 1 53 53 TRP H H 53 8.045 8.045 8.495 -0.450 25542 1451 1 5 . 1 1 54 54 LYS N N 54 121.675 121.675 118.727 2.948 25542 1452 1 5 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.325 0.854 25542 1453 1 5 . 1 1 54 54 LYS CA C 54 56.089 56.089 56.842 -0.753 25542 1454 1 5 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.183 -0.119 25542 1455 1 5 . 1 1 54 54 LYS H H 54 8.230 8.230 7.291 0.939 25542 1456 1 5 . 1 1 55 55 SER N N 55 114.683 114.683 114.623 0.060 25542 1457 1 5 . 1 1 55 55 SER HA H 55 4.163 4.163 3.887 0.276 25542 1458 1 5 . 1 1 55 55 SER C C 55 177.387 177.387 174.185 3.202 25542 1459 1 5 . 1 1 55 55 SER CA C 55 59.440 59.440 58.851 0.589 25542 1460 1 5 . 1 1 55 55 SER CB C 55 63.319 63.319 62.466 0.853 25542 1461 1 5 . 1 1 55 55 SER H H 55 7.920 7.920 8.256 -0.336 25542 1462 1 5 . 1 1 56 56 LYS N N 56 122.086 122.086 119.245 2.841 25542 1463 1 5 . 1 1 56 56 LYS HA H 56 4.161 4.161 3.722 0.439 25542 1464 1 5 . 1 1 56 56 LYS C C 56 174.830 174.830 175.661 -0.831 25542 1465 1 5 . 1 1 56 56 LYS CA C 56 57.069 57.069 58.469 -1.400 25542 1466 1 5 . 1 1 56 56 LYS CB C 56 32.787 32.787 31.300 1.487 25542 1467 1 5 . 1 1 56 56 LYS H H 56 7.907 7.907 8.201 -0.294 25542 1468 1 5 . 1 1 57 57 ASN N N 57 118.385 118.385 120.095 -1.710 25542 1469 1 5 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.649 -0.122 25542 1470 1 5 . 1 1 57 57 ASN C C 57 175.845 175.845 175.037 0.808 25542 1471 1 5 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.400 -0.052 25542 1472 1 5 . 1 1 57 57 ASN CB C 57 38.842 38.842 39.050 -0.207 25542 1473 1 5 . 1 1 57 57 ASN H H 57 8.019 8.019 8.373 -0.354 25542 1474 1 5 . 1 1 58 58 LYS N N 58 121.675 121.675 122.273 -0.598 25542 1475 1 5 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.417 -0.222 25542 1476 1 5 . 1 1 58 58 LYS C C 58 175.343 175.343 175.867 -0.524 25542 1477 1 5 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.817 -0.328 25542 1478 1 5 . 1 1 58 58 LYS CB C 58 32.711 32.711 33.301 -0.590 25542 1479 1 5 . 1 1 58 58 LYS H H 58 8.039 8.039 8.442 -0.403 25542 1480 1 5 . 1 1 59 59 LYS N N 59 123.434 123.434 120.761 2.673 25542 1481 1 5 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.372 -0.147 25542 1482 1 5 . 1 1 59 59 LYS C C 59 172.827 172.827 175.577 -2.750 25542 1483 1 5 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.058 0.155 25542 1484 1 5 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.581 0.332 25542 1485 1 5 . 1 1 59 59 LYS H H 59 8.348 8.348 7.927 0.421 25542 1486 1 6 . 1 1 10 10 THR N N 10 114.478 114.478 115.552 -1.074 25542 1487 1 6 . 1 1 10 10 THR HA H 10 4.249 4.249 4.500 -0.251 25542 1488 1 6 . 1 1 10 10 THR C C 10 171.741 171.741 174.443 -2.702 25542 1489 1 6 . 1 1 10 10 THR CA C 10 62.036 62.036 61.626 0.410 25542 1490 1 6 . 1 1 10 10 THR CB C 10 69.784 69.784 69.520 0.264 25542 1491 1 6 . 1 1 10 10 THR H H 10 8.118 8.118 7.947 0.171 25542 1492 1 6 . 1 1 11 11 LYS N N 11 124.759 124.759 123.131 1.628 25542 1493 1 6 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.636 -0.465 25542 1494 1 6 . 1 1 11 11 LYS C C 11 172.964 172.964 176.215 -3.251 25542 1495 1 6 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.650 0.535 25542 1496 1 6 . 1 1 11 11 LYS CB C 11 32.819 32.819 34.093 -1.274 25542 1497 1 6 . 1 1 11 11 LYS H H 11 8.442 8.442 8.384 0.058 25542 1498 1 6 . 1 1 12 12 LYS N N 12 123.320 123.320 119.118 4.202 25542 1499 1 6 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.411 -0.295 25542 1500 1 6 . 1 1 12 12 LYS C C 12 173.147 173.147 176.059 -2.912 25542 1501 1 6 . 1 1 12 12 LYS CA C 12 56.308 56.308 56.541 -0.233 25542 1502 1 6 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.852 -0.647 25542 1503 1 6 . 1 1 12 12 LYS H H 12 8.239 8.239 8.448 -0.209 25542 1504 1 6 . 1 1 13 13 TYR N N 13 119.413 119.413 119.943 -0.530 25542 1505 1 6 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.711 -0.299 25542 1506 1 6 . 1 1 13 13 TYR C C 13 172.016 172.016 174.857 -2.841 25542 1507 1 6 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.369 0.009 25542 1508 1 6 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.034 -0.088 25542 1509 1 6 . 1 1 13 13 TYR H H 13 8.286 8.286 7.985 0.301 25542 1510 1 6 . 1 1 14 14 ASP N N 14 120.647 120.647 123.009 -2.362 25542 1511 1 6 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.847 -0.160 25542 1512 1 6 . 1 1 14 14 ASP C C 14 173.276 173.276 175.016 -1.740 25542 1513 1 6 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.349 -1.713 25542 1514 1 6 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.226 -2.021 25542 1515 1 6 . 1 1 14 14 ASP H H 14 8.611 8.611 8.523 0.088 25542 1516 1 6 . 1 1 15 15 LEU N N 15 126.198 126.198 126.089 0.109 25542 1517 1 6 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.707 -0.974 25542 1518 1 6 . 1 1 15 15 LEU C C 15 175.592 175.592 177.291 -1.699 25542 1519 1 6 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.068 -0.693 25542 1520 1 6 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.428 -1.482 25542 1521 1 6 . 1 1 15 15 LEU H H 15 8.877 8.877 8.453 0.424 25542 1522 1 6 . 1 1 16 16 SER N N 16 116.464 116.464 117.692 -1.228 25542 1523 1 6 . 1 1 16 16 SER HA H 16 4.142 4.142 4.052 0.090 25542 1524 1 6 . 1 1 16 16 SER C C 16 173.247 173.247 174.089 -0.842 25542 1525 1 6 . 1 1 16 16 SER CA C 16 61.699 61.699 61.313 0.386 25542 1526 1 6 . 1 1 16 16 SER CB C 16 62.708 62.708 63.437 -0.729 25542 1527 1 6 . 1 1 16 16 SER H H 16 8.132 8.132 8.220 -0.088 25542 1528 1 6 . 1 1 17 17 LYS N N 17 118.179 118.179 119.063 -0.884 25542 1529 1 6 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.598 -0.097 25542 1530 1 6 . 1 1 17 17 LYS C C 17 175.079 175.079 175.176 -0.097 25542 1531 1 6 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.028 -0.834 25542 1532 1 6 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.868 -1.815 25542 1533 1 6 . 1 1 17 17 LYS H H 17 8.496 8.496 7.982 0.514 25542 1534 1 6 . 1 1 18 18 TRP N N 18 121.857 121.857 124.489 -2.632 25542 1535 1 6 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.025 -0.433 25542 1536 1 6 . 1 1 18 18 TRP C C 18 174.862 174.862 174.860 0.002 25542 1537 1 6 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.682 2.503 25542 1538 1 6 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.039 -3.407 25542 1539 1 6 . 1 1 18 18 TRP H H 18 7.830 7.830 8.723 -0.893 25542 1540 1 6 . 1 1 19 19 LYS N N 19 123.014 123.014 121.034 1.980 25542 1541 1 6 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.727 -0.182 25542 1542 1 6 . 1 1 19 19 LYS C C 19 175.094 175.094 177.539 -2.445 25542 1543 1 6 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.296 0.973 25542 1544 1 6 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.688 -0.597 25542 1545 1 6 . 1 1 19 19 LYS H H 19 9.533 9.533 8.391 1.142 25542 1546 1 6 . 1 1 20 20 TYR N N 20 124.553 124.553 120.263 4.290 25542 1547 1 6 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.213 -0.198 25542 1548 1 6 . 1 1 20 20 TYR C C 20 174.531 174.531 177.177 -2.646 25542 1549 1 6 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.332 1.805 25542 1550 1 6 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.987 1.127 25542 1551 1 6 . 1 1 20 20 TYR H H 20 9.400 9.400 8.807 0.593 25542 1552 1 6 . 1 1 21 21 ALA N N 21 117.974 117.974 122.856 -4.882 25542 1553 1 6 . 1 1 21 21 ALA HA H 21 3.817 3.817 3.817 -0.000 25542 1554 1 6 . 1 1 21 21 ALA C C 21 176.314 176.314 179.140 -2.826 25542 1555 1 6 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.113 0.239 25542 1556 1 6 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.019 1.588 25542 1557 1 6 . 1 1 21 21 ALA H H 21 8.991 8.991 7.233 1.758 25542 1558 1 6 . 1 1 22 22 GLU N N 22 115.300 115.300 118.835 -3.535 25542 1559 1 6 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.956 0.151 25542 1560 1 6 . 1 1 22 22 GLU C C 22 177.380 177.380 179.102 -1.722 25542 1561 1 6 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.791 -0.361 25542 1562 1 6 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.689 1.181 25542 1563 1 6 . 1 1 22 22 GLU H H 22 6.842 6.842 8.405 -1.562 25542 1564 1 6 . 1 1 23 23 LEU N N 23 122.086 122.086 122.079 0.007 25542 1565 1 6 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.249 -0.083 25542 1566 1 6 . 1 1 23 23 LEU C C 23 174.830 174.830 179.284 -4.454 25542 1567 1 6 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.433 0.210 25542 1568 1 6 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.069 1.042 25542 1569 1 6 . 1 1 23 23 LEU H H 23 7.906 7.906 8.403 -0.497 25542 1570 1 6 . 1 1 24 24 ARG N N 24 117.974 117.974 119.193 -1.219 25542 1571 1 6 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.922 -0.263 25542 1572 1 6 . 1 1 24 24 ARG C C 24 175.240 175.240 178.306 -3.066 25542 1573 1 6 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.946 -0.915 25542 1574 1 6 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.124 -0.290 25542 1575 1 6 . 1 1 24 24 ARG H H 24 8.220 8.220 8.203 0.017 25542 1576 1 6 . 1 1 25 25 ASP N N 25 118.179 118.179 118.562 -0.383 25542 1577 1 6 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.392 -0.006 25542 1578 1 6 . 1 1 25 25 ASP C C 25 176.554 176.554 178.518 -1.964 25542 1579 1 6 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.718 -0.431 25542 1580 1 6 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.914 -0.872 25542 1581 1 6 . 1 1 25 25 ASP H H 25 8.482 8.482 8.270 0.212 25542 1582 1 6 . 1 1 26 26 THR N N 26 118.385 118.385 116.196 2.189 25542 1583 1 6 . 1 1 26 26 THR HA H 26 3.900 3.900 4.108 -0.208 25542 1584 1 6 . 1 1 26 26 THR C C 26 173.365 173.365 177.143 -3.778 25542 1585 1 6 . 1 1 26 26 THR CA C 26 67.774 67.774 66.786 0.988 25542 1586 1 6 . 1 1 26 26 THR CB C 26 67.779 67.779 68.758 -0.979 25542 1587 1 6 . 1 1 26 26 THR H H 26 7.930 7.930 8.508 -0.578 25542 1588 1 6 . 1 1 27 27 ILE N N 27 122.497 122.497 119.981 2.516 25542 1589 1 6 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.892 -0.247 25542 1590 1 6 . 1 1 27 27 ILE C C 27 174.485 174.485 176.092 -1.607 25542 1591 1 6 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.569 1.048 25542 1592 1 6 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.999 -0.347 25542 1593 1 6 . 1 1 27 27 ILE H H 27 8.145 8.145 8.029 0.116 25542 1594 1 6 . 1 1 28 28 ASN N N 28 115.095 115.095 115.515 -0.420 25542 1595 1 6 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.743 -0.121 25542 1596 1 6 . 1 1 28 28 ASN C C 28 173.902 173.902 176.140 -2.238 25542 1597 1 6 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.098 0.331 25542 1598 1 6 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.733 -0.564 25542 1599 1 6 . 1 1 28 28 ASN H H 28 7.700 7.700 8.096 -0.396 25542 1600 1 6 . 1 1 29 29 THR N N 29 107.692 107.692 109.559 -1.867 25542 1601 1 6 . 1 1 29 29 THR HA H 29 4.606 4.606 4.567 0.039 25542 1602 1 6 . 1 1 29 29 THR C C 29 172.290 172.290 175.356 -3.066 25542 1603 1 6 . 1 1 29 29 THR CA C 29 62.629 62.629 62.239 0.390 25542 1604 1 6 . 1 1 29 29 THR CB C 29 72.232 72.232 70.192 2.040 25542 1605 1 6 . 1 1 29 29 THR H H 29 7.592 7.592 8.226 -0.634 25542 1606 1 6 . 1 1 30 30 SER N N 30 117.670 117.670 117.997 -0.327 25542 1607 1 6 . 1 1 30 30 SER HA H 30 4.298 4.298 4.657 -0.359 25542 1608 1 6 . 1 1 30 30 SER C C 30 172.473 172.473 172.889 -0.416 25542 1609 1 6 . 1 1 30 30 SER CA C 30 59.633 59.633 58.411 1.222 25542 1610 1 6 . 1 1 30 30 SER CB C 30 64.278 64.278 64.770 -0.492 25542 1611 1 6 . 1 1 30 30 SER H H 30 8.701 8.701 8.301 0.400 25542 1612 1 6 . 1 1 31 31 CYS N N 31 121.263 121.263 119.592 1.671 25542 1613 1 6 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.647 0.134 25542 1614 1 6 . 1 1 31 31 CYS C C 31 170.861 170.861 172.366 -1.505 25542 1615 1 6 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.066 -1.661 25542 1616 1 6 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.003 -0.700 25542 1617 1 6 . 1 1 31 31 CYS H H 31 8.719 8.719 8.475 0.244 25542 1618 1 6 . 1 1 32 32 ASP N N 32 124.542 124.542 126.969 -2.427 25542 1619 1 6 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.712 -0.090 25542 1620 1 6 . 1 1 32 32 ASP C C 32 172.541 172.541 176.468 -3.927 25542 1621 1 6 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.072 -0.918 25542 1622 1 6 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.995 -1.754 25542 1623 1 6 . 1 1 32 32 ASP H H 32 8.551 8.551 8.302 0.249 25542 1624 1 6 . 1 1 33 33 ILE N N 33 125.170 125.170 121.913 3.257 25542 1625 1 6 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.553 0.141 25542 1626 1 6 . 1 1 33 33 ILE C C 33 175.743 175.743 176.923 -1.180 25542 1627 1 6 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.150 0.586 25542 1628 1 6 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.775 0.040 25542 1629 1 6 . 1 1 33 33 ILE H H 33 8.464 8.464 8.603 -0.139 25542 1630 1 6 . 1 1 34 34 GLU N N 34 121.058 121.058 119.213 1.845 25542 1631 1 6 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.772 0.370 25542 1632 1 6 . 1 1 34 34 GLU C C 34 176.406 176.406 178.323 -1.917 25542 1633 1 6 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.595 0.516 25542 1634 1 6 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.651 1.071 25542 1635 1 6 . 1 1 34 34 GLU H H 34 8.186 8.186 7.811 0.375 25542 1636 1 6 . 1 1 35 35 LEU N N 35 124.965 124.965 121.223 3.742 25542 1637 1 6 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.956 -0.321 25542 1638 1 6 . 1 1 35 35 LEU C C 35 176.399 176.399 178.920 -2.521 25542 1639 1 6 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.445 -0.416 25542 1640 1 6 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.201 -0.219 25542 1641 1 6 . 1 1 35 35 LEU H H 35 7.849 7.849 7.869 -0.020 25542 1642 1 6 . 1 1 36 36 LEU N N 36 120.453 120.453 117.902 2.551 25542 1643 1 6 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.770 -0.091 25542 1644 1 6 . 1 1 36 36 LEU C C 36 176.280 176.280 178.854 -2.574 25542 1645 1 6 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.007 0.728 25542 1646 1 6 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.706 1.763 25542 1647 1 6 . 1 1 36 36 LEU H H 36 8.867 8.867 8.658 0.209 25542 1648 1 6 . 1 1 37 37 ALA N N 37 120.030 120.030 121.713 -1.683 25542 1649 1 6 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.784 0.224 25542 1650 1 6 . 1 1 37 37 ALA C C 37 177.606 177.606 179.371 -1.765 25542 1651 1 6 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.094 0.007 25542 1652 1 6 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.719 -0.078 25542 1653 1 6 . 1 1 37 37 ALA H H 37 7.624 7.624 7.895 -0.271 25542 1654 1 6 . 1 1 38 38 ALA N N 38 121.675 121.675 120.499 1.176 25542 1655 1 6 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.857 0.253 25542 1656 1 6 . 1 1 38 38 ALA C C 38 178.452 178.452 178.692 -0.240 25542 1657 1 6 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.983 -0.154 25542 1658 1 6 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.155 -0.147 25542 1659 1 6 . 1 1 38 38 ALA H H 38 7.681 7.681 8.379 -0.698 25542 1660 1 6 . 1 1 39 39 CYS N N 39 119.413 119.413 118.138 1.275 25542 1661 1 6 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.958 -0.213 25542 1662 1 6 . 1 1 39 39 CYS C C 39 173.860 173.860 177.022 -3.162 25542 1663 1 6 . 1 1 39 39 CYS CA C 39 63.819 63.819 61.892 1.927 25542 1664 1 6 . 1 1 39 39 CYS CB C 39 27.310 27.310 26.466 0.844 25542 1665 1 6 . 1 1 39 39 CYS H H 39 8.806 8.806 7.964 0.842 25542 1666 1 6 . 1 1 40 40 ARG N N 40 119.824 119.824 119.422 0.402 25542 1667 1 6 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.875 0.044 25542 1668 1 6 . 1 1 40 40 ARG C C 40 176.108 176.108 178.953 -2.845 25542 1669 1 6 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.227 0.305 25542 1670 1 6 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.894 -0.048 25542 1671 1 6 . 1 1 40 40 ARG H H 40 8.382 8.382 8.563 -0.181 25542 1672 1 6 . 1 1 41 41 GLU N N 41 119.618 119.618 118.592 1.026 25542 1673 1 6 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.997 0.090 25542 1674 1 6 . 1 1 41 41 GLU C C 41 171.786 171.786 179.217 -7.431 25542 1675 1 6 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.455 -0.255 25542 1676 1 6 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.024 0.253 25542 1677 1 6 . 1 1 41 41 GLU H H 41 7.949 7.949 8.216 -0.267 25542 1678 1 6 . 1 1 42 42 GLU N N 42 121.469 121.469 119.645 1.824 25542 1679 1 6 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.146 0.164 25542 1680 1 6 . 1 1 42 42 GLU C C 42 173.408 173.408 179.255 -5.847 25542 1681 1 6 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.218 -0.959 25542 1682 1 6 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.363 -1.221 25542 1683 1 6 . 1 1 42 42 GLU H H 42 7.980 7.980 8.106 -0.126 25542 1684 1 6 . 1 1 43 43 PHE N N 43 119.824 119.824 120.546 -0.722 25542 1685 1 6 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.064 0.050 25542 1686 1 6 . 1 1 43 43 PHE C C 43 175.299 175.299 177.947 -2.648 25542 1687 1 6 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.740 -0.077 25542 1688 1 6 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.489 0.718 25542 1689 1 6 . 1 1 43 43 PHE H H 43 8.717 8.717 8.738 -0.021 25542 1690 1 6 . 1 1 44 44 HIS N N 44 116.534 116.534 117.669 -1.135 25542 1691 1 6 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.173 0.108 25542 1692 1 6 . 1 1 44 44 HIS C C 44 174.771 174.771 177.975 -3.204 25542 1693 1 6 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.600 -1.063 25542 1694 1 6 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.763 -0.261 25542 1695 1 6 . 1 1 44 44 HIS H H 44 8.105 8.105 8.642 -0.537 25542 1696 1 6 . 1 1 45 45 ARG N N 45 120.875 120.875 120.043 0.832 25542 1697 1 6 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.003 -0.080 25542 1698 1 6 . 1 1 45 45 ARG C C 45 176.310 176.310 178.668 -2.358 25542 1699 1 6 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.774 -0.008 25542 1700 1 6 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.249 0.030 25542 1701 1 6 . 1 1 45 45 ARG H H 45 8.278 8.278 8.504 -0.226 25542 1702 1 6 . 1 1 46 46 ARG N N 46 116.740 116.740 118.637 -1.897 25542 1703 1 6 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.088 -0.129 25542 1704 1 6 . 1 1 46 46 ARG C C 46 176.046 176.046 179.095 -3.049 25542 1705 1 6 . 1 1 46 46 ARG CA C 46 58.834 58.834 58.879 -0.045 25542 1706 1 6 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.820 0.038 25542 1707 1 6 . 1 1 46 46 ARG H H 46 8.068 8.068 8.689 -0.621 25542 1708 1 6 . 1 1 47 47 LEU N N 47 120.441 120.441 121.476 -1.035 25542 1709 1 6 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.017 -0.086 25542 1710 1 6 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.705 2.061 25542 1711 1 6 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.744 -0.119 25542 1712 1 6 . 1 1 47 47 LEU H H 47 7.868 7.868 8.640 -0.772 25542 1713 1 6 . 1 1 48 48 LYS N N 48 119.413 119.413 119.862 -0.449 25542 1714 1 6 . 1 1 48 48 LYS HA H 48 4.079 4.079 3.899 0.180 25542 1715 1 6 . 1 1 48 48 LYS C C 48 176.354 176.354 178.944 -2.590 25542 1716 1 6 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.414 -1.257 25542 1717 1 6 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.206 -0.142 25542 1718 1 6 . 1 1 48 48 LYS H H 48 7.784 7.784 8.213 -0.429 25542 1719 1 6 . 1 1 49 49 VAL N N 49 119.618 119.618 117.701 1.917 25542 1720 1 6 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.701 0.127 25542 1721 1 6 . 1 1 49 49 VAL C C 49 174.195 174.195 177.645 -3.450 25542 1722 1 6 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.634 -1.715 25542 1723 1 6 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.985 1.324 25542 1724 1 6 . 1 1 49 49 VAL H H 49 7.767 7.767 8.136 -0.369 25542 1725 1 6 . 1 1 50 50 TYR N N 50 122.497 122.497 121.459 1.038 25542 1726 1 6 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.332 -0.168 25542 1727 1 6 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.332 -2.030 25542 1728 1 6 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.359 -0.073 25542 1729 1 6 . 1 1 50 50 TYR H H 50 8.142 8.142 8.180 -0.038 25542 1730 1 6 . 1 1 51 51 HIS N N 51 119.002 119.002 115.688 3.314 25542 1731 1 6 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.184 0.036 25542 1732 1 6 . 1 1 51 51 HIS C C 51 174.214 174.214 176.771 -2.557 25542 1733 1 6 . 1 1 51 51 HIS CA C 51 57.428 57.428 57.472 -0.044 25542 1734 1 6 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.555 -0.456 25542 1735 1 6 . 1 1 51 51 HIS H H 51 8.427 8.427 7.905 0.522 25542 1736 1 6 . 1 1 52 52 ALA N N 52 123.731 123.731 122.716 1.015 25542 1737 1 6 . 1 1 52 52 ALA HA H 52 4.141 4.141 3.972 0.169 25542 1738 1 6 . 1 1 52 52 ALA C C 52 176.134 176.134 178.943 -2.809 25542 1739 1 6 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.911 -0.813 25542 1740 1 6 . 1 1 52 52 ALA CB C 52 18.195 18.195 17.889 0.306 25542 1741 1 6 . 1 1 52 52 ALA H H 52 8.072 8.072 8.051 0.021 25542 1742 1 6 . 1 1 53 53 TRP N N 53 120.614 120.614 116.554 4.060 25542 1743 1 6 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.330 0.019 25542 1744 1 6 . 1 1 53 53 TRP C C 53 173.394 173.394 177.158 -3.764 25542 1745 1 6 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.416 -0.640 25542 1746 1 6 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.074 -0.413 25542 1747 1 6 . 1 1 53 53 TRP H H 53 8.045 8.045 7.943 0.102 25542 1748 1 6 . 1 1 54 54 LYS N N 54 121.675 121.675 117.679 3.996 25542 1749 1 6 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.113 0.066 25542 1750 1 6 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.927 -1.838 25542 1751 1 6 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.546 -0.482 25542 1752 1 6 . 1 1 54 54 LYS H H 54 8.230 8.230 7.603 0.627 25542 1753 1 6 . 1 1 55 55 SER N N 55 114.683 114.683 114.343 0.340 25542 1754 1 6 . 1 1 55 55 SER HA H 55 4.163 4.163 4.228 -0.065 25542 1755 1 6 . 1 1 55 55 SER C C 55 177.387 177.387 174.563 2.824 25542 1756 1 6 . 1 1 55 55 SER CA C 55 59.440 59.440 60.237 -0.797 25542 1757 1 6 . 1 1 55 55 SER CB C 55 63.319 63.319 62.739 0.580 25542 1758 1 6 . 1 1 55 55 SER H H 55 7.920 7.920 7.833 0.087 25542 1759 1 6 . 1 1 56 56 LYS N N 56 122.086 122.086 120.481 1.605 25542 1760 1 6 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.309 -0.148 25542 1761 1 6 . 1 1 56 56 LYS C C 56 174.830 174.830 174.627 0.203 25542 1762 1 6 . 1 1 56 56 LYS CA C 56 57.069 57.069 57.097 -0.028 25542 1763 1 6 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.152 -0.365 25542 1764 1 6 . 1 1 56 56 LYS H H 56 7.907 7.907 8.432 -0.525 25542 1765 1 6 . 1 1 57 57 ASN N N 57 118.385 118.385 116.865 1.520 25542 1766 1 6 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.950 -0.423 25542 1767 1 6 . 1 1 57 57 ASN C C 57 175.845 175.845 174.046 1.799 25542 1768 1 6 . 1 1 57 57 ASN CA C 57 53.348 53.348 52.868 0.480 25542 1769 1 6 . 1 1 57 57 ASN CB C 57 38.842 38.842 39.981 -1.139 25542 1770 1 6 . 1 1 57 57 ASN H H 57 8.019 8.019 7.803 0.216 25542 1771 1 6 . 1 1 58 58 LYS N N 58 121.675 121.675 120.863 0.812 25542 1772 1 6 . 1 1 58 58 LYS HA H 58 4.195 4.195 3.984 0.211 25542 1773 1 6 . 1 1 58 58 LYS C C 58 175.343 175.343 175.141 0.202 25542 1774 1 6 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.704 -0.215 25542 1775 1 6 . 1 1 58 58 LYS CB C 58 32.711 32.711 31.505 1.206 25542 1776 1 6 . 1 1 58 58 LYS H H 58 8.039 8.039 8.488 -0.449 25542 1777 1 6 . 1 1 59 59 LYS N N 59 123.434 123.434 120.422 3.012 25542 1778 1 6 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.191 0.034 25542 1779 1 6 . 1 1 59 59 LYS C C 59 172.827 172.827 176.932 -4.105 25542 1780 1 6 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.817 -0.604 25542 1781 1 6 . 1 1 59 59 LYS CB C 59 32.913 32.913 31.608 1.304 25542 1782 1 6 . 1 1 59 59 LYS H H 59 8.348 8.348 8.249 0.099 25542 1783 1 7 . 1 1 10 10 THR N N 10 114.478 114.478 114.079 0.399 25542 1784 1 7 . 1 1 10 10 THR HA H 10 4.249 4.249 4.376 -0.127 25542 1785 1 7 . 1 1 10 10 THR C C 10 171.741 171.741 174.795 -3.054 25542 1786 1 7 . 1 1 10 10 THR CA C 10 62.036 62.036 61.089 0.947 25542 1787 1 7 . 1 1 10 10 THR CB C 10 69.784 69.784 70.093 -0.309 25542 1788 1 7 . 1 1 10 10 THR H H 10 8.118 8.118 7.952 0.166 25542 1789 1 7 . 1 1 11 11 LYS N N 11 124.759 124.759 122.392 2.367 25542 1790 1 7 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.089 0.082 25542 1791 1 7 . 1 1 11 11 LYS C C 11 172.964 172.964 177.045 -4.081 25542 1792 1 7 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.808 -0.623 25542 1793 1 7 . 1 1 11 11 LYS CB C 11 32.819 32.819 31.559 1.260 25542 1794 1 7 . 1 1 11 11 LYS H H 11 8.442 8.442 8.404 0.038 25542 1795 1 7 . 1 1 12 12 LYS N N 12 123.320 123.320 123.064 0.256 25542 1796 1 7 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.000 0.116 25542 1797 1 7 . 1 1 12 12 LYS C C 12 173.147 173.147 176.812 -3.665 25542 1798 1 7 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.705 -2.397 25542 1799 1 7 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.904 0.301 25542 1800 1 7 . 1 1 12 12 LYS H H 12 8.239 8.239 8.211 0.028 25542 1801 1 7 . 1 1 13 13 TYR N N 13 119.413 119.413 116.141 3.272 25542 1802 1 7 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.633 -0.221 25542 1803 1 7 . 1 1 13 13 TYR C C 13 172.016 172.016 175.104 -3.088 25542 1804 1 7 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.836 -0.458 25542 1805 1 7 . 1 1 13 13 TYR CB C 13 39.946 39.946 41.204 -1.258 25542 1806 1 7 . 1 1 13 13 TYR H H 13 8.286 8.286 8.000 0.286 25542 1807 1 7 . 1 1 14 14 ASP N N 14 120.647 120.647 122.236 -1.589 25542 1808 1 7 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.860 -0.173 25542 1809 1 7 . 1 1 14 14 ASP C C 14 173.276 173.276 175.268 -1.992 25542 1810 1 7 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.670 -2.034 25542 1811 1 7 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.200 -1.995 25542 1812 1 7 . 1 1 14 14 ASP H H 14 8.611 8.611 8.485 0.126 25542 1813 1 7 . 1 1 15 15 LEU N N 15 126.198 126.198 125.953 0.245 25542 1814 1 7 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.692 -0.959 25542 1815 1 7 . 1 1 15 15 LEU C C 15 175.592 175.592 177.184 -1.592 25542 1816 1 7 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.071 -0.696 25542 1817 1 7 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.008 -1.062 25542 1818 1 7 . 1 1 15 15 LEU H H 15 8.877 8.877 8.404 0.473 25542 1819 1 7 . 1 1 16 16 SER N N 16 116.464 116.464 117.625 -1.161 25542 1820 1 7 . 1 1 16 16 SER HA H 16 4.142 4.142 4.159 -0.017 25542 1821 1 7 . 1 1 16 16 SER C C 16 173.247 173.247 174.459 -1.212 25542 1822 1 7 . 1 1 16 16 SER CA C 16 61.699 61.699 60.688 1.011 25542 1823 1 7 . 1 1 16 16 SER CB C 16 62.708 62.708 63.475 -0.767 25542 1824 1 7 . 1 1 16 16 SER H H 16 8.132 8.132 8.435 -0.303 25542 1825 1 7 . 1 1 17 17 LYS N N 17 118.179 118.179 119.705 -1.526 25542 1826 1 7 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.482 0.019 25542 1827 1 7 . 1 1 17 17 LYS C C 17 175.079 175.079 175.116 -0.037 25542 1828 1 7 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.212 -1.018 25542 1829 1 7 . 1 1 17 17 LYS CB C 17 32.053 32.053 34.054 -2.001 25542 1830 1 7 . 1 1 17 17 LYS H H 17 8.496 8.496 7.888 0.608 25542 1831 1 7 . 1 1 18 18 TRP N N 18 121.857 121.857 125.377 -3.520 25542 1832 1 7 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.827 -0.235 25542 1833 1 7 . 1 1 18 18 TRP C C 18 174.862 174.862 174.646 0.216 25542 1834 1 7 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.961 2.224 25542 1835 1 7 . 1 1 18 18 TRP CB C 18 28.632 28.632 31.970 -3.338 25542 1836 1 7 . 1 1 18 18 TRP H H 18 7.830 7.830 8.642 -0.812 25542 1837 1 7 . 1 1 19 19 LYS N N 19 123.014 123.014 119.924 3.090 25542 1838 1 7 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.449 0.096 25542 1839 1 7 . 1 1 19 19 LYS C C 19 175.094 175.094 177.990 -2.896 25542 1840 1 7 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.771 0.498 25542 1841 1 7 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.679 -0.589 25542 1842 1 7 . 1 1 19 19 LYS H H 19 9.533 9.533 8.457 1.076 25542 1843 1 7 . 1 1 20 20 TYR N N 20 124.553 124.553 119.631 4.922 25542 1844 1 7 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.313 -0.298 25542 1845 1 7 . 1 1 20 20 TYR C C 20 174.531 174.531 177.482 -2.951 25542 1846 1 7 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.136 2.002 25542 1847 1 7 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.871 1.243 25542 1848 1 7 . 1 1 20 20 TYR H H 20 9.400 9.400 8.250 1.150 25542 1849 1 7 . 1 1 21 21 ALA N N 21 117.974 117.974 123.377 -5.403 25542 1850 1 7 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.145 -0.328 25542 1851 1 7 . 1 1 21 21 ALA C C 21 176.314 176.314 179.301 -2.987 25542 1852 1 7 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.434 -0.082 25542 1853 1 7 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.387 1.220 25542 1854 1 7 . 1 1 21 21 ALA H H 21 8.991 8.991 7.679 1.312 25542 1855 1 7 . 1 1 22 22 GLU N N 22 115.300 115.300 118.894 -3.594 25542 1856 1 7 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.979 0.128 25542 1857 1 7 . 1 1 22 22 GLU C C 22 177.380 177.380 179.080 -1.700 25542 1858 1 7 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.821 -0.391 25542 1859 1 7 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.704 1.166 25542 1860 1 7 . 1 1 22 22 GLU H H 22 6.842 6.842 8.439 -1.597 25542 1861 1 7 . 1 1 23 23 LEU N N 23 122.086 122.086 122.068 0.018 25542 1862 1 7 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.213 -0.047 25542 1863 1 7 . 1 1 23 23 LEU C C 23 174.830 174.830 179.242 -4.412 25542 1864 1 7 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.434 0.210 25542 1865 1 7 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.084 1.027 25542 1866 1 7 . 1 1 23 23 LEU H H 23 7.906 7.906 8.403 -0.497 25542 1867 1 7 . 1 1 24 24 ARG N N 24 117.974 117.974 118.974 -1.000 25542 1868 1 7 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.824 -0.165 25542 1869 1 7 . 1 1 24 24 ARG C C 24 175.240 175.240 178.377 -3.137 25542 1870 1 7 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.952 -0.921 25542 1871 1 7 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.146 -0.312 25542 1872 1 7 . 1 1 24 24 ARG H H 24 8.220 8.220 8.258 -0.038 25542 1873 1 7 . 1 1 25 25 ASP N N 25 118.179 118.179 118.151 0.028 25542 1874 1 7 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.397 -0.011 25542 1875 1 7 . 1 1 25 25 ASP C C 25 176.554 176.554 178.692 -2.138 25542 1876 1 7 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.570 -0.283 25542 1877 1 7 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.733 -0.692 25542 1878 1 7 . 1 1 25 25 ASP H H 25 8.482 8.482 8.329 0.153 25542 1879 1 7 . 1 1 26 26 THR N N 26 118.385 118.385 116.187 2.198 25542 1880 1 7 . 1 1 26 26 THR HA H 26 3.900 3.900 4.071 -0.171 25542 1881 1 7 . 1 1 26 26 THR C C 26 173.365 173.365 177.093 -3.728 25542 1882 1 7 . 1 1 26 26 THR CA C 26 67.774 67.774 66.833 0.941 25542 1883 1 7 . 1 1 26 26 THR CB C 26 67.779 67.779 68.876 -1.097 25542 1884 1 7 . 1 1 26 26 THR H H 26 7.930 7.930 8.524 -0.594 25542 1885 1 7 . 1 1 27 27 ILE N N 27 122.497 122.497 120.150 2.347 25542 1886 1 7 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.847 -0.202 25542 1887 1 7 . 1 1 27 27 ILE C C 27 174.485 174.485 175.698 -1.213 25542 1888 1 7 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.707 0.911 25542 1889 1 7 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.961 -0.309 25542 1890 1 7 . 1 1 27 27 ILE H H 27 8.145 8.145 8.011 0.134 25542 1891 1 7 . 1 1 28 28 ASN N N 28 115.095 115.095 115.169 -0.074 25542 1892 1 7 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.707 -0.085 25542 1893 1 7 . 1 1 28 28 ASN C C 28 173.902 173.902 176.249 -2.347 25542 1894 1 7 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.023 0.406 25542 1895 1 7 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.664 -0.495 25542 1896 1 7 . 1 1 28 28 ASN H H 28 7.700 7.700 8.009 -0.309 25542 1897 1 7 . 1 1 29 29 THR N N 29 107.692 107.692 110.099 -2.407 25542 1898 1 7 . 1 1 29 29 THR HA H 29 4.606 4.606 4.529 0.077 25542 1899 1 7 . 1 1 29 29 THR C C 29 172.290 172.290 175.346 -3.056 25542 1900 1 7 . 1 1 29 29 THR CA C 29 62.629 62.629 62.417 0.212 25542 1901 1 7 . 1 1 29 29 THR CB C 29 72.232 72.232 70.279 1.953 25542 1902 1 7 . 1 1 29 29 THR H H 29 7.592 7.592 8.207 -0.615 25542 1903 1 7 . 1 1 30 30 SER N N 30 117.670 117.670 118.776 -1.106 25542 1904 1 7 . 1 1 30 30 SER HA H 30 4.298 4.298 4.657 -0.359 25542 1905 1 7 . 1 1 30 30 SER C C 30 172.473 172.473 172.965 -0.492 25542 1906 1 7 . 1 1 30 30 SER CA C 30 59.633 59.633 59.194 0.439 25542 1907 1 7 . 1 1 30 30 SER CB C 30 64.278 64.278 64.678 -0.400 25542 1908 1 7 . 1 1 30 30 SER H H 30 8.701 8.701 8.152 0.549 25542 1909 1 7 . 1 1 31 31 CYS N N 31 121.263 121.263 119.348 1.915 25542 1910 1 7 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.628 0.153 25542 1911 1 7 . 1 1 31 31 CYS C C 31 170.861 170.861 172.411 -1.550 25542 1912 1 7 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.175 -1.770 25542 1913 1 7 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.432 -1.129 25542 1914 1 7 . 1 1 31 31 CYS H H 31 8.719 8.719 8.423 0.296 25542 1915 1 7 . 1 1 32 32 ASP N N 32 124.542 124.542 127.139 -2.597 25542 1916 1 7 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.763 -0.141 25542 1917 1 7 . 1 1 32 32 ASP C C 32 172.541 172.541 176.388 -3.847 25542 1918 1 7 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.975 -0.821 25542 1919 1 7 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.975 -1.734 25542 1920 1 7 . 1 1 32 32 ASP H H 32 8.551 8.551 8.313 0.238 25542 1921 1 7 . 1 1 33 33 ILE N N 33 125.170 125.170 121.737 3.433 25542 1922 1 7 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.567 0.127 25542 1923 1 7 . 1 1 33 33 ILE C C 33 175.743 175.743 176.909 -1.166 25542 1924 1 7 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.293 0.443 25542 1925 1 7 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.793 0.022 25542 1926 1 7 . 1 1 33 33 ILE H H 33 8.464 8.464 8.590 -0.126 25542 1927 1 7 . 1 1 34 34 GLU N N 34 121.058 121.058 119.291 1.767 25542 1928 1 7 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.786 0.356 25542 1929 1 7 . 1 1 34 34 GLU C C 34 176.406 176.406 178.308 -1.902 25542 1930 1 7 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.568 0.543 25542 1931 1 7 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.664 1.058 25542 1932 1 7 . 1 1 34 34 GLU H H 34 8.186 8.186 7.858 0.328 25542 1933 1 7 . 1 1 35 35 LEU N N 35 124.965 124.965 121.246 3.719 25542 1934 1 7 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.970 -0.335 25542 1935 1 7 . 1 1 35 35 LEU C C 35 176.399 176.399 178.930 -2.531 25542 1936 1 7 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.462 -0.433 25542 1937 1 7 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.205 -0.223 25542 1938 1 7 . 1 1 35 35 LEU H H 35 7.849 7.849 7.882 -0.033 25542 1939 1 7 . 1 1 36 36 LEU N N 36 120.453 120.453 117.979 2.474 25542 1940 1 7 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.789 -0.110 25542 1941 1 7 . 1 1 36 36 LEU C C 36 176.280 176.280 178.904 -2.624 25542 1942 1 7 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.055 0.680 25542 1943 1 7 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.708 1.761 25542 1944 1 7 . 1 1 36 36 LEU H H 36 8.867 8.867 8.598 0.269 25542 1945 1 7 . 1 1 37 37 ALA N N 37 120.030 120.030 122.068 -2.038 25542 1946 1 7 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.792 0.216 25542 1947 1 7 . 1 1 37 37 ALA C C 37 177.606 177.606 179.064 -1.458 25542 1948 1 7 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.071 0.030 25542 1949 1 7 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.788 -0.147 25542 1950 1 7 . 1 1 37 37 ALA H H 37 7.624 7.624 7.881 -0.257 25542 1951 1 7 . 1 1 38 38 ALA N N 38 121.675 121.675 120.867 0.808 25542 1952 1 7 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.858 0.252 25542 1953 1 7 . 1 1 38 38 ALA C C 38 178.452 178.452 178.654 -0.202 25542 1954 1 7 . 1 1 38 38 ALA CA C 38 54.829 54.829 55.135 -0.306 25542 1955 1 7 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.148 -0.140 25542 1956 1 7 . 1 1 38 38 ALA H H 38 7.681 7.681 8.286 -0.605 25542 1957 1 7 . 1 1 39 39 CYS N N 39 119.413 119.413 117.679 1.734 25542 1958 1 7 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.845 -0.100 25542 1959 1 7 . 1 1 39 39 CYS C C 39 173.860 173.860 176.990 -3.130 25542 1960 1 7 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.611 0.208 25542 1961 1 7 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.564 -0.254 25542 1962 1 7 . 1 1 39 39 CYS H H 39 8.806 8.806 8.232 0.574 25542 1963 1 7 . 1 1 40 40 ARG N N 40 119.824 119.824 119.412 0.412 25542 1964 1 7 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.932 -0.013 25542 1965 1 7 . 1 1 40 40 ARG C C 40 176.108 176.108 178.730 -2.622 25542 1966 1 7 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.204 0.328 25542 1967 1 7 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.029 -0.183 25542 1968 1 7 . 1 1 40 40 ARG H H 40 8.382 8.382 8.549 -0.167 25542 1969 1 7 . 1 1 41 41 GLU N N 41 119.618 119.618 118.764 0.854 25542 1970 1 7 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.028 0.059 25542 1971 1 7 . 1 1 41 41 GLU C C 41 171.786 171.786 179.323 -7.537 25542 1972 1 7 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.473 -0.273 25542 1973 1 7 . 1 1 41 41 GLU CB C 41 29.277 29.277 28.977 0.300 25542 1974 1 7 . 1 1 41 41 GLU H H 41 7.949 7.949 8.223 -0.274 25542 1975 1 7 . 1 1 42 42 GLU N N 42 121.469 121.469 119.747 1.722 25542 1976 1 7 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.158 0.152 25542 1977 1 7 . 1 1 42 42 GLU C C 42 173.408 173.408 179.192 -5.784 25542 1978 1 7 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.199 -0.940 25542 1979 1 7 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.520 -1.378 25542 1980 1 7 . 1 1 42 42 GLU H H 42 7.980 7.980 8.102 -0.122 25542 1981 1 7 . 1 1 43 43 PHE N N 43 119.824 119.824 121.143 -1.319 25542 1982 1 7 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.224 -0.110 25542 1983 1 7 . 1 1 43 43 PHE C C 43 175.299 175.299 178.195 -2.896 25542 1984 1 7 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.975 -0.312 25542 1985 1 7 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.791 0.416 25542 1986 1 7 . 1 1 43 43 PHE H H 43 8.717 8.717 8.880 -0.163 25542 1987 1 7 . 1 1 44 44 HIS N N 44 116.534 116.534 118.759 -2.225 25542 1988 1 7 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.277 0.004 25542 1989 1 7 . 1 1 44 44 HIS C C 44 174.771 174.771 177.763 -2.992 25542 1990 1 7 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.154 -0.617 25542 1991 1 7 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.015 -0.513 25542 1992 1 7 . 1 1 44 44 HIS H H 44 8.105 8.105 9.065 -0.960 25542 1993 1 7 . 1 1 45 45 ARG N N 45 120.875 120.875 119.682 1.193 25542 1994 1 7 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.036 -0.113 25542 1995 1 7 . 1 1 45 45 ARG C C 45 176.310 176.310 178.743 -2.433 25542 1996 1 7 . 1 1 45 45 ARG CA C 45 59.766 59.766 60.042 -0.276 25542 1997 1 7 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.215 0.064 25542 1998 1 7 . 1 1 45 45 ARG H H 45 8.278 8.278 8.319 -0.041 25542 1999 1 7 . 1 1 46 46 ARG N N 46 116.740 116.740 119.398 -2.658 25542 2000 1 7 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.039 -0.080 25542 2001 1 7 . 1 1 46 46 ARG C C 46 176.046 176.046 179.124 -3.078 25542 2002 1 7 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.497 -0.663 25542 2003 1 7 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.989 -0.131 25542 2004 1 7 . 1 1 46 46 ARG H H 46 8.068 8.068 8.292 -0.224 25542 2005 1 7 . 1 1 47 47 LEU N N 47 120.441 120.441 121.340 -0.899 25542 2006 1 7 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.000 -0.069 25542 2007 1 7 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.733 1.033 25542 2008 1 7 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.866 -0.241 25542 2009 1 7 . 1 1 47 47 LEU H H 47 7.868 7.868 8.593 -0.725 25542 2010 1 7 . 1 1 48 48 LYS N N 48 119.413 119.413 119.535 -0.122 25542 2011 1 7 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.193 -0.114 25542 2012 1 7 . 1 1 48 48 LYS C C 48 176.354 176.354 179.159 -2.805 25542 2013 1 7 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.200 -1.042 25542 2014 1 7 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.252 -0.188 25542 2015 1 7 . 1 1 48 48 LYS H H 48 7.784 7.784 8.334 -0.550 25542 2016 1 7 . 1 1 49 49 VAL N N 49 119.618 119.618 120.340 -0.722 25542 2017 1 7 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.711 0.117 25542 2018 1 7 . 1 1 49 49 VAL C C 49 174.195 174.195 178.045 -3.850 25542 2019 1 7 . 1 1 49 49 VAL CA C 49 64.919 64.919 67.313 -2.394 25542 2020 1 7 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.453 0.856 25542 2021 1 7 . 1 1 49 49 VAL H H 49 7.767 7.767 8.681 -0.914 25542 2022 1 7 . 1 1 50 50 TYR N N 50 122.497 122.497 120.350 2.147 25542 2023 1 7 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.203 -0.039 25542 2024 1 7 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.804 -2.502 25542 2025 1 7 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.632 -0.346 25542 2026 1 7 . 1 1 50 50 TYR H H 50 8.142 8.142 8.697 -0.555 25542 2027 1 7 . 1 1 51 51 HIS N N 51 119.002 119.002 118.190 0.812 25542 2028 1 7 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.247 -0.027 25542 2029 1 7 . 1 1 51 51 HIS C C 51 174.214 174.214 176.793 -2.579 25542 2030 1 7 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.744 -1.316 25542 2031 1 7 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.807 -0.708 25542 2032 1 7 . 1 1 51 51 HIS H H 51 8.427 8.427 8.467 -0.040 25542 2033 1 7 . 1 1 52 52 ALA N N 52 123.731 123.731 122.642 1.089 25542 2034 1 7 . 1 1 52 52 ALA HA H 52 4.141 4.141 3.974 0.167 25542 2035 1 7 . 1 1 52 52 ALA C C 52 176.134 176.134 179.003 -2.869 25542 2036 1 7 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.892 0.206 25542 2037 1 7 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.186 0.010 25542 2038 1 7 . 1 1 52 52 ALA H H 52 8.072 8.072 8.391 -0.319 25542 2039 1 7 . 1 1 53 53 TRP N N 53 120.614 120.614 120.306 0.308 25542 2040 1 7 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.280 0.069 25542 2041 1 7 . 1 1 53 53 TRP C C 53 173.394 173.394 177.097 -3.703 25542 2042 1 7 . 1 1 53 53 TRP CA C 53 58.776 58.776 60.852 -2.076 25542 2043 1 7 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.880 -0.219 25542 2044 1 7 . 1 1 53 53 TRP H H 53 8.045 8.045 8.334 -0.289 25542 2045 1 7 . 1 1 54 54 LYS N N 54 121.675 121.675 117.707 3.968 25542 2046 1 7 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.707 0.472 25542 2047 1 7 . 1 1 54 54 LYS CA C 54 56.089 56.089 58.468 -2.378 25542 2048 1 7 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.350 -0.286 25542 2049 1 7 . 1 1 54 54 LYS H H 54 8.230 8.230 7.486 0.744 25542 2050 1 7 . 1 1 55 55 SER N N 55 114.683 114.683 114.305 0.378 25542 2051 1 7 . 1 1 55 55 SER HA H 55 4.163 4.163 4.249 -0.086 25542 2052 1 7 . 1 1 55 55 SER C C 55 177.387 177.387 175.002 2.385 25542 2053 1 7 . 1 1 55 55 SER CA C 55 59.440 59.440 59.148 0.292 25542 2054 1 7 . 1 1 55 55 SER CB C 55 63.319 63.319 62.856 0.463 25542 2055 1 7 . 1 1 55 55 SER H H 55 7.920 7.920 7.823 0.097 25542 2056 1 7 . 1 1 56 56 LYS N N 56 122.086 122.086 124.891 -2.805 25542 2057 1 7 . 1 1 56 56 LYS HA H 56 4.161 4.161 3.870 0.291 25542 2058 1 7 . 1 1 56 56 LYS C C 56 174.830 174.830 176.914 -2.084 25542 2059 1 7 . 1 1 56 56 LYS CA C 56 57.069 57.069 57.308 -0.239 25542 2060 1 7 . 1 1 56 56 LYS CB C 56 32.787 32.787 32.594 0.193 25542 2061 1 7 . 1 1 56 56 LYS H H 56 7.907 7.907 8.087 -0.180 25542 2062 1 7 . 1 1 57 57 ASN N N 57 118.385 118.385 118.354 0.031 25542 2063 1 7 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.592 -0.065 25542 2064 1 7 . 1 1 57 57 ASN C C 57 175.845 175.845 175.372 0.473 25542 2065 1 7 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.046 0.302 25542 2066 1 7 . 1 1 57 57 ASN CB C 57 38.842 38.842 37.556 1.286 25542 2067 1 7 . 1 1 57 57 ASN H H 57 8.019 8.019 8.082 -0.063 25542 2068 1 7 . 1 1 58 58 LYS N N 58 121.675 121.675 124.501 -2.826 25542 2069 1 7 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.131 0.064 25542 2070 1 7 . 1 1 58 58 LYS C C 58 175.343 175.343 175.796 -0.453 25542 2071 1 7 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.405 0.084 25542 2072 1 7 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.613 0.098 25542 2073 1 7 . 1 1 58 58 LYS H H 58 8.039 8.039 8.109 -0.070 25542 2074 1 7 . 1 1 59 59 LYS N N 59 123.434 123.434 117.375 6.059 25542 2075 1 7 . 1 1 59 59 LYS HA H 59 4.225 4.225 3.882 0.343 25542 2076 1 7 . 1 1 59 59 LYS C C 59 172.827 172.827 176.010 -3.183 25542 2077 1 7 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.513 -0.300 25542 2078 1 7 . 1 1 59 59 LYS CB C 59 32.913 32.913 30.219 2.694 25542 2079 1 7 . 1 1 59 59 LYS H H 59 8.348 8.348 7.910 0.438 25542 2080 1 8 . 1 1 10 10 THR N N 10 114.478 114.478 114.330 0.148 25542 2081 1 8 . 1 1 10 10 THR HA H 10 4.249 4.249 4.536 -0.287 25542 2082 1 8 . 1 1 10 10 THR C C 10 171.741 171.741 174.721 -2.980 25542 2083 1 8 . 1 1 10 10 THR CA C 10 62.036 62.036 61.376 0.660 25542 2084 1 8 . 1 1 10 10 THR CB C 10 69.784 69.784 70.487 -0.703 25542 2085 1 8 . 1 1 10 10 THR H H 10 8.118 8.118 7.699 0.419 25542 2086 1 8 . 1 1 11 11 LYS N N 11 124.759 124.759 123.634 1.125 25542 2087 1 8 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.496 -0.325 25542 2088 1 8 . 1 1 11 11 LYS C C 11 172.964 172.964 176.706 -3.742 25542 2089 1 8 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.313 -0.128 25542 2090 1 8 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.135 0.684 25542 2091 1 8 . 1 1 11 11 LYS H H 11 8.442 8.442 8.667 -0.225 25542 2092 1 8 . 1 1 12 12 LYS N N 12 123.320 123.320 123.083 0.237 25542 2093 1 8 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.328 -0.212 25542 2094 1 8 . 1 1 12 12 LYS C C 12 173.147 173.147 176.615 -3.468 25542 2095 1 8 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.404 -1.096 25542 2096 1 8 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.056 0.149 25542 2097 1 8 . 1 1 12 12 LYS H H 12 8.239 8.239 8.669 -0.430 25542 2098 1 8 . 1 1 13 13 TYR N N 13 119.413 119.413 118.009 1.404 25542 2099 1 8 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.630 -0.218 25542 2100 1 8 . 1 1 13 13 TYR C C 13 172.016 172.016 174.434 -2.418 25542 2101 1 8 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.522 -0.144 25542 2102 1 8 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.486 -0.540 25542 2103 1 8 . 1 1 13 13 TYR H H 13 8.286 8.286 8.024 0.262 25542 2104 1 8 . 1 1 14 14 ASP N N 14 120.647 120.647 121.163 -0.516 25542 2105 1 8 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.831 -0.144 25542 2106 1 8 . 1 1 14 14 ASP C C 14 173.276 173.276 174.701 -1.425 25542 2107 1 8 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.305 -1.669 25542 2108 1 8 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.080 -1.875 25542 2109 1 8 . 1 1 14 14 ASP H H 14 8.611 8.611 8.459 0.152 25542 2110 1 8 . 1 1 15 15 LEU N N 15 126.198 126.198 126.242 -0.044 25542 2111 1 8 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.683 -0.950 25542 2112 1 8 . 1 1 15 15 LEU C C 15 175.592 175.592 176.989 -1.397 25542 2113 1 8 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.003 -0.628 25542 2114 1 8 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.027 -1.081 25542 2115 1 8 . 1 1 15 15 LEU H H 15 8.877 8.877 8.444 0.433 25542 2116 1 8 . 1 1 16 16 SER N N 16 116.464 116.464 117.390 -0.926 25542 2117 1 8 . 1 1 16 16 SER HA H 16 4.142 4.142 4.179 -0.037 25542 2118 1 8 . 1 1 16 16 SER C C 16 173.247 173.247 174.311 -1.064 25542 2119 1 8 . 1 1 16 16 SER CA C 16 61.699 61.699 60.743 0.956 25542 2120 1 8 . 1 1 16 16 SER CB C 16 62.708 62.708 63.748 -1.040 25542 2121 1 8 . 1 1 16 16 SER H H 16 8.132 8.132 8.280 -0.148 25542 2122 1 8 . 1 1 17 17 LYS N N 17 118.179 118.179 119.400 -1.221 25542 2123 1 8 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.463 0.038 25542 2124 1 8 . 1 1 17 17 LYS C C 17 175.079 175.079 175.206 -0.127 25542 2125 1 8 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.119 -0.925 25542 2126 1 8 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.758 -1.705 25542 2127 1 8 . 1 1 17 17 LYS H H 17 8.496 8.496 8.196 0.300 25542 2128 1 8 . 1 1 18 18 TRP N N 18 121.857 121.857 123.149 -1.292 25542 2129 1 8 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.875 -0.283 25542 2130 1 8 . 1 1 18 18 TRP C C 18 174.862 174.862 175.400 -0.538 25542 2131 1 8 . 1 1 18 18 TRP CA C 18 58.185 58.185 54.969 3.216 25542 2132 1 8 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.502 -3.870 25542 2133 1 8 . 1 1 18 18 TRP H H 18 7.830 7.830 8.357 -0.527 25542 2134 1 8 . 1 1 19 19 LYS N N 19 123.014 123.014 119.533 3.481 25542 2135 1 8 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.111 0.434 25542 2136 1 8 . 1 1 19 19 LYS C C 19 175.094 175.094 177.668 -2.574 25542 2137 1 8 . 1 1 19 19 LYS CA C 19 55.269 55.269 53.975 1.294 25542 2138 1 8 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.340 -0.249 25542 2139 1 8 . 1 1 19 19 LYS H H 19 9.533 9.533 8.023 1.510 25542 2140 1 8 . 1 1 20 20 TYR N N 20 124.553 124.553 119.972 4.581 25542 2141 1 8 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.156 -0.141 25542 2142 1 8 . 1 1 20 20 TYR C C 20 174.531 174.531 178.048 -3.517 25542 2143 1 8 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.192 0.945 25542 2144 1 8 . 1 1 20 20 TYR CB C 20 38.114 38.114 37.005 1.109 25542 2145 1 8 . 1 1 20 20 TYR H H 20 9.400 9.400 7.976 1.424 25542 2146 1 8 . 1 1 21 21 ALA N N 21 117.974 117.974 122.675 -4.701 25542 2147 1 8 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.128 -0.311 25542 2148 1 8 . 1 1 21 21 ALA C C 21 176.314 176.314 179.436 -3.122 25542 2149 1 8 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.576 -0.224 25542 2150 1 8 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.614 0.993 25542 2151 1 8 . 1 1 21 21 ALA H H 21 8.991 8.991 8.572 0.419 25542 2152 1 8 . 1 1 22 22 GLU N N 22 115.300 115.300 118.835 -3.535 25542 2153 1 8 . 1 1 22 22 GLU HA H 22 4.107 4.107 4.029 0.078 25542 2154 1 8 . 1 1 22 22 GLU C C 22 177.380 177.380 179.112 -1.732 25542 2155 1 8 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.837 -0.407 25542 2156 1 8 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.766 1.104 25542 2157 1 8 . 1 1 22 22 GLU H H 22 6.842 6.842 8.586 -1.744 25542 2158 1 8 . 1 1 23 23 LEU N N 23 122.086 122.086 122.233 -0.147 25542 2159 1 8 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.247 -0.081 25542 2160 1 8 . 1 1 23 23 LEU C C 23 174.830 174.830 179.356 -4.526 25542 2161 1 8 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.475 0.168 25542 2162 1 8 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.064 1.047 25542 2163 1 8 . 1 1 23 23 LEU H H 23 7.906 7.906 8.414 -0.508 25542 2164 1 8 . 1 1 24 24 ARG N N 24 117.974 117.974 118.934 -0.960 25542 2165 1 8 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.918 -0.259 25542 2166 1 8 . 1 1 24 24 ARG C C 24 175.240 175.240 178.412 -3.172 25542 2167 1 8 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.987 -0.956 25542 2168 1 8 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.194 -0.360 25542 2169 1 8 . 1 1 24 24 ARG H H 24 8.220 8.220 8.317 -0.097 25542 2170 1 8 . 1 1 25 25 ASP N N 25 118.179 118.179 118.413 -0.234 25542 2171 1 8 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.428 -0.042 25542 2172 1 8 . 1 1 25 25 ASP C C 25 176.554 176.554 178.490 -1.936 25542 2173 1 8 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.513 -0.226 25542 2174 1 8 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.762 -0.720 25542 2175 1 8 . 1 1 25 25 ASP H H 25 8.482 8.482 8.353 0.129 25542 2176 1 8 . 1 1 26 26 THR N N 26 118.385 118.385 116.452 1.933 25542 2177 1 8 . 1 1 26 26 THR HA H 26 3.900 3.900 4.113 -0.213 25542 2178 1 8 . 1 1 26 26 THR C C 26 173.365 173.365 176.975 -3.610 25542 2179 1 8 . 1 1 26 26 THR CA C 26 67.774 67.774 67.012 0.762 25542 2180 1 8 . 1 1 26 26 THR CB C 26 67.779 67.779 69.081 -1.302 25542 2181 1 8 . 1 1 26 26 THR H H 26 7.930 7.930 8.582 -0.652 25542 2182 1 8 . 1 1 27 27 ILE N N 27 122.497 122.497 119.391 3.106 25542 2183 1 8 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.892 -0.247 25542 2184 1 8 . 1 1 27 27 ILE C C 27 174.485 174.485 175.683 -1.198 25542 2185 1 8 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.394 1.224 25542 2186 1 8 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.985 -0.333 25542 2187 1 8 . 1 1 27 27 ILE H H 27 8.145 8.145 7.983 0.162 25542 2188 1 8 . 1 1 28 28 ASN N N 28 115.095 115.095 115.441 -0.346 25542 2189 1 8 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.751 -0.129 25542 2190 1 8 . 1 1 28 28 ASN C C 28 173.902 173.902 176.041 -2.139 25542 2191 1 8 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.073 0.356 25542 2192 1 8 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.608 -0.439 25542 2193 1 8 . 1 1 28 28 ASN H H 28 7.700 7.700 8.126 -0.426 25542 2194 1 8 . 1 1 29 29 THR N N 29 107.692 107.692 109.649 -1.957 25542 2195 1 8 . 1 1 29 29 THR HA H 29 4.606 4.606 4.523 0.083 25542 2196 1 8 . 1 1 29 29 THR C C 29 172.290 172.290 175.398 -3.108 25542 2197 1 8 . 1 1 29 29 THR CA C 29 62.629 62.629 62.372 0.257 25542 2198 1 8 . 1 1 29 29 THR CB C 29 72.232 72.232 70.060 2.172 25542 2199 1 8 . 1 1 29 29 THR H H 29 7.592 7.592 8.158 -0.566 25542 2200 1 8 . 1 1 30 30 SER N N 30 117.670 117.670 118.129 -0.459 25542 2201 1 8 . 1 1 30 30 SER HA H 30 4.298 4.298 4.656 -0.358 25542 2202 1 8 . 1 1 30 30 SER C C 30 172.473 172.473 172.838 -0.365 25542 2203 1 8 . 1 1 30 30 SER CA C 30 59.633 59.633 58.858 0.775 25542 2204 1 8 . 1 1 30 30 SER CB C 30 64.278 64.278 64.683 -0.405 25542 2205 1 8 . 1 1 30 30 SER H H 30 8.701 8.701 7.957 0.744 25542 2206 1 8 . 1 1 31 31 CYS N N 31 121.263 121.263 119.293 1.970 25542 2207 1 8 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.637 0.144 25542 2208 1 8 . 1 1 31 31 CYS C C 31 170.861 170.861 172.565 -1.704 25542 2209 1 8 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.216 -1.811 25542 2210 1 8 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.088 -0.785 25542 2211 1 8 . 1 1 31 31 CYS H H 31 8.719 8.719 8.397 0.322 25542 2212 1 8 . 1 1 32 32 ASP N N 32 124.542 124.542 126.868 -2.326 25542 2213 1 8 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.802 -0.180 25542 2214 1 8 . 1 1 32 32 ASP C C 32 172.541 172.541 176.270 -3.729 25542 2215 1 8 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.977 -0.823 25542 2216 1 8 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.888 -1.647 25542 2217 1 8 . 1 1 32 32 ASP H H 32 8.551 8.551 8.267 0.284 25542 2218 1 8 . 1 1 33 33 ILE N N 33 125.170 125.170 121.857 3.313 25542 2219 1 8 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.566 0.128 25542 2220 1 8 . 1 1 33 33 ILE C C 33 175.743 175.743 176.816 -1.073 25542 2221 1 8 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.442 0.294 25542 2222 1 8 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.857 -0.042 25542 2223 1 8 . 1 1 33 33 ILE H H 33 8.464 8.464 8.553 -0.089 25542 2224 1 8 . 1 1 34 34 GLU N N 34 121.058 121.058 119.260 1.798 25542 2225 1 8 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.775 0.367 25542 2226 1 8 . 1 1 34 34 GLU C C 34 176.406 176.406 178.294 -1.888 25542 2227 1 8 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.543 0.568 25542 2228 1 8 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.628 1.094 25542 2229 1 8 . 1 1 34 34 GLU H H 34 8.186 8.186 7.784 0.402 25542 2230 1 8 . 1 1 35 35 LEU N N 35 124.965 124.965 121.250 3.715 25542 2231 1 8 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.985 -0.350 25542 2232 1 8 . 1 1 35 35 LEU C C 35 176.399 176.399 178.952 -2.553 25542 2233 1 8 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.471 -0.442 25542 2234 1 8 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.218 -0.236 25542 2235 1 8 . 1 1 35 35 LEU H H 35 7.849 7.849 7.943 -0.094 25542 2236 1 8 . 1 1 36 36 LEU N N 36 120.453 120.453 117.988 2.465 25542 2237 1 8 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.799 -0.120 25542 2238 1 8 . 1 1 36 36 LEU C C 36 176.280 176.280 178.881 -2.601 25542 2239 1 8 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.054 0.681 25542 2240 1 8 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.727 1.742 25542 2241 1 8 . 1 1 36 36 LEU H H 36 8.867 8.867 8.689 0.178 25542 2242 1 8 . 1 1 37 37 ALA N N 37 120.030 120.030 121.925 -1.895 25542 2243 1 8 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.772 0.236 25542 2244 1 8 . 1 1 37 37 ALA C C 37 177.606 177.606 179.107 -1.501 25542 2245 1 8 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.002 0.099 25542 2246 1 8 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.807 -0.166 25542 2247 1 8 . 1 1 37 37 ALA H H 37 7.624 7.624 7.880 -0.256 25542 2248 1 8 . 1 1 38 38 ALA N N 38 121.675 121.675 120.778 0.897 25542 2249 1 8 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.872 0.238 25542 2250 1 8 . 1 1 38 38 ALA C C 38 178.452 178.452 178.713 -0.261 25542 2251 1 8 . 1 1 38 38 ALA CA C 38 54.829 54.829 55.092 -0.263 25542 2252 1 8 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.184 -0.176 25542 2253 1 8 . 1 1 38 38 ALA H H 38 7.681 7.681 8.417 -0.736 25542 2254 1 8 . 1 1 39 39 CYS N N 39 119.413 119.413 118.147 1.266 25542 2255 1 8 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.969 -0.224 25542 2256 1 8 . 1 1 39 39 CYS C C 39 173.860 173.860 176.733 -2.873 25542 2257 1 8 . 1 1 39 39 CYS CA C 39 63.819 63.819 64.028 -0.209 25542 2258 1 8 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.732 -0.422 25542 2259 1 8 . 1 1 39 39 CYS H H 39 8.806 8.806 8.008 0.798 25542 2260 1 8 . 1 1 40 40 ARG N N 40 119.824 119.824 120.133 -0.309 25542 2261 1 8 . 1 1 40 40 ARG HA H 40 3.919 3.919 4.021 -0.102 25542 2262 1 8 . 1 1 40 40 ARG C C 40 176.108 176.108 178.492 -2.384 25542 2263 1 8 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.471 1.061 25542 2264 1 8 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.677 0.169 25542 2265 1 8 . 1 1 40 40 ARG H H 40 8.382 8.382 8.596 -0.214 25542 2266 1 8 . 1 1 41 41 GLU N N 41 119.618 119.618 119.247 0.371 25542 2267 1 8 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.026 0.061 25542 2268 1 8 . 1 1 41 41 GLU C C 41 171.786 171.786 179.335 -7.549 25542 2269 1 8 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.615 -0.415 25542 2270 1 8 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.057 0.220 25542 2271 1 8 . 1 1 41 41 GLU H H 41 7.949 7.949 8.191 -0.242 25542 2272 1 8 . 1 1 42 42 GLU N N 42 121.469 121.469 119.763 1.706 25542 2273 1 8 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.125 0.185 25542 2274 1 8 . 1 1 42 42 GLU C C 42 173.408 173.408 179.262 -5.854 25542 2275 1 8 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.138 -0.879 25542 2276 1 8 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.334 -1.192 25542 2277 1 8 . 1 1 42 42 GLU H H 42 7.980 7.980 8.343 -0.363 25542 2278 1 8 . 1 1 43 43 PHE N N 43 119.824 119.824 120.604 -0.780 25542 2279 1 8 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.164 -0.050 25542 2280 1 8 . 1 1 43 43 PHE C C 43 175.299 175.299 178.340 -3.041 25542 2281 1 8 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.608 -0.945 25542 2282 1 8 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.703 0.504 25542 2283 1 8 . 1 1 43 43 PHE H H 43 8.717 8.717 8.632 0.085 25542 2284 1 8 . 1 1 44 44 HIS N N 44 116.534 116.534 118.042 -1.508 25542 2285 1 8 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.268 0.013 25542 2286 1 8 . 1 1 44 44 HIS C C 44 174.771 174.771 177.812 -3.041 25542 2287 1 8 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.668 -1.131 25542 2288 1 8 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.603 -0.101 25542 2289 1 8 . 1 1 44 44 HIS H H 44 8.105 8.105 8.654 -0.549 25542 2290 1 8 . 1 1 45 45 ARG N N 45 120.875 120.875 119.937 0.938 25542 2291 1 8 . 1 1 45 45 ARG HA H 45 3.923 3.923 3.993 -0.070 25542 2292 1 8 . 1 1 45 45 ARG C C 45 176.310 176.310 178.354 -2.044 25542 2293 1 8 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.672 0.094 25542 2294 1 8 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.246 0.033 25542 2295 1 8 . 1 1 45 45 ARG H H 45 8.278 8.278 8.471 -0.193 25542 2296 1 8 . 1 1 46 46 ARG N N 46 116.740 116.740 119.678 -2.938 25542 2297 1 8 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.032 -0.073 25542 2298 1 8 . 1 1 46 46 ARG C C 46 176.046 176.046 178.992 -2.946 25542 2299 1 8 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.537 -0.703 25542 2300 1 8 . 1 1 46 46 ARG CB C 46 29.858 29.858 30.038 -0.180 25542 2301 1 8 . 1 1 46 46 ARG H H 46 8.068 8.068 8.353 -0.285 25542 2302 1 8 . 1 1 47 47 LEU N N 47 120.441 120.441 118.868 1.573 25542 2303 1 8 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.060 -0.129 25542 2304 1 8 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.569 2.197 25542 2305 1 8 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.683 -0.058 25542 2306 1 8 . 1 1 47 47 LEU H H 47 7.868 7.868 8.490 -0.622 25542 2307 1 8 . 1 1 48 48 LYS N N 48 119.413 119.413 121.107 -1.694 25542 2308 1 8 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.080 -0.001 25542 2309 1 8 . 1 1 48 48 LYS C C 48 176.354 176.354 179.042 -2.688 25542 2310 1 8 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.107 -1.950 25542 2311 1 8 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.593 -0.529 25542 2312 1 8 . 1 1 48 48 LYS H H 48 7.784 7.784 8.053 -0.269 25542 2313 1 8 . 1 1 49 49 VAL N N 49 119.618 119.618 117.063 2.555 25542 2314 1 8 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.830 -0.002 25542 2315 1 8 . 1 1 49 49 VAL C C 49 174.195 174.195 177.956 -3.761 25542 2316 1 8 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.106 -1.187 25542 2317 1 8 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.324 0.985 25542 2318 1 8 . 1 1 49 49 VAL H H 49 7.767 7.767 8.111 -0.344 25542 2319 1 8 . 1 1 50 50 TYR N N 50 122.497 122.497 120.314 2.183 25542 2320 1 8 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.001 0.163 25542 2321 1 8 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.373 -2.071 25542 2322 1 8 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.536 -0.250 25542 2323 1 8 . 1 1 50 50 TYR H H 50 8.142 8.142 8.277 -0.135 25542 2324 1 8 . 1 1 51 51 HIS N N 51 119.002 119.002 117.819 1.183 25542 2325 1 8 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.611 -0.391 25542 2326 1 8 . 1 1 51 51 HIS C C 51 174.214 174.214 177.078 -2.864 25542 2327 1 8 . 1 1 51 51 HIS CA C 51 57.428 57.428 57.992 -0.564 25542 2328 1 8 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.918 -0.819 25542 2329 1 8 . 1 1 51 51 HIS H H 51 8.427 8.427 8.031 0.396 25542 2330 1 8 . 1 1 52 52 ALA N N 52 123.731 123.731 122.781 0.950 25542 2331 1 8 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.417 -0.276 25542 2332 1 8 . 1 1 52 52 ALA C C 52 176.134 176.134 178.380 -2.246 25542 2333 1 8 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.100 0.998 25542 2334 1 8 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.557 -0.362 25542 2335 1 8 . 1 1 52 52 ALA H H 52 8.072 8.072 8.222 -0.150 25542 2336 1 8 . 1 1 53 53 TRP N N 53 120.614 120.614 118.739 1.875 25542 2337 1 8 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.317 0.032 25542 2338 1 8 . 1 1 53 53 TRP C C 53 173.394 173.394 176.747 -3.353 25542 2339 1 8 . 1 1 53 53 TRP CA C 53 58.776 58.776 57.062 1.714 25542 2340 1 8 . 1 1 53 53 TRP CB C 53 28.661 28.661 27.847 0.814 25542 2341 1 8 . 1 1 53 53 TRP H H 53 8.045 8.045 8.237 -0.192 25542 2342 1 8 . 1 1 54 54 LYS N N 54 121.675 121.675 120.778 0.897 25542 2343 1 8 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.342 0.837 25542 2344 1 8 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.993 -1.904 25542 2345 1 8 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.412 -0.348 25542 2346 1 8 . 1 1 54 54 LYS H H 54 8.230 8.230 7.598 0.632 25542 2347 1 8 . 1 1 55 55 SER N N 55 114.683 114.683 111.067 3.616 25542 2348 1 8 . 1 1 55 55 SER HA H 55 4.163 4.163 4.405 -0.242 25542 2349 1 8 . 1 1 55 55 SER C C 55 177.387 177.387 173.155 4.232 25542 2350 1 8 . 1 1 55 55 SER CA C 55 59.440 59.440 58.108 1.332 25542 2351 1 8 . 1 1 55 55 SER CB C 55 63.319 63.319 64.227 -0.908 25542 2352 1 8 . 1 1 55 55 SER H H 55 7.920 7.920 8.081 -0.161 25542 2353 1 8 . 1 1 56 56 LYS N N 56 122.086 122.086 125.988 -3.902 25542 2354 1 8 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.375 -0.214 25542 2355 1 8 . 1 1 56 56 LYS C C 56 174.830 174.830 176.761 -1.931 25542 2356 1 8 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.096 0.973 25542 2357 1 8 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.136 -0.349 25542 2358 1 8 . 1 1 56 56 LYS H H 56 7.907 7.907 8.393 -0.486 25542 2359 1 8 . 1 1 57 57 ASN N N 57 118.385 118.385 119.848 -1.463 25542 2360 1 8 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.492 0.035 25542 2361 1 8 . 1 1 57 57 ASN C C 57 175.845 175.845 175.350 0.495 25542 2362 1 8 . 1 1 57 57 ASN CA C 57 53.348 53.348 54.882 -1.534 25542 2363 1 8 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.425 0.417 25542 2364 1 8 . 1 1 57 57 ASN H H 57 8.019 8.019 8.525 -0.506 25542 2365 1 8 . 1 1 58 58 LYS N N 58 121.675 121.675 119.940 1.735 25542 2366 1 8 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.067 0.128 25542 2367 1 8 . 1 1 58 58 LYS C C 58 175.343 175.343 175.494 -0.151 25542 2368 1 8 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.501 -0.012 25542 2369 1 8 . 1 1 58 58 LYS CB C 58 32.711 32.711 31.522 1.189 25542 2370 1 8 . 1 1 58 58 LYS H H 58 8.039 8.039 8.380 -0.341 25542 2371 1 8 . 1 1 59 59 LYS N N 59 123.434 123.434 122.350 1.084 25542 2372 1 8 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.062 0.163 25542 2373 1 8 . 1 1 59 59 LYS C C 59 172.827 172.827 177.208 -4.381 25542 2374 1 8 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.513 -0.300 25542 2375 1 8 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.841 0.072 25542 2376 1 8 . 1 1 59 59 LYS H H 59 8.348 8.348 8.293 0.055 25542 2377 1 9 . 1 1 10 10 THR N N 10 114.478 114.478 114.606 -0.128 25542 2378 1 9 . 1 1 10 10 THR HA H 10 4.249 4.249 4.429 -0.180 25542 2379 1 9 . 1 1 10 10 THR C C 10 171.741 171.741 175.365 -3.624 25542 2380 1 9 . 1 1 10 10 THR CA C 10 62.036 62.036 61.117 0.919 25542 2381 1 9 . 1 1 10 10 THR CB C 10 69.784 69.784 69.701 0.083 25542 2382 1 9 . 1 1 10 10 THR H H 10 8.118 8.118 7.632 0.486 25542 2383 1 9 . 1 1 11 11 LYS N N 11 124.759 124.759 120.597 4.162 25542 2384 1 9 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.205 -0.034 25542 2385 1 9 . 1 1 11 11 LYS C C 11 172.964 172.964 177.145 -4.181 25542 2386 1 9 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.358 -0.173 25542 2387 1 9 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.315 0.504 25542 2388 1 9 . 1 1 11 11 LYS H H 11 8.442 8.442 8.261 0.181 25542 2389 1 9 . 1 1 12 12 LYS N N 12 123.320 123.320 119.289 4.031 25542 2390 1 9 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.288 -0.172 25542 2391 1 9 . 1 1 12 12 LYS C C 12 173.147 173.147 177.327 -4.180 25542 2392 1 9 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.591 -1.283 25542 2393 1 9 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.837 0.368 25542 2394 1 9 . 1 1 12 12 LYS H H 12 8.239 8.239 8.408 -0.169 25542 2395 1 9 . 1 1 13 13 TYR N N 13 119.413 119.413 118.399 1.014 25542 2396 1 9 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.584 -0.172 25542 2397 1 9 . 1 1 13 13 TYR C C 13 172.016 172.016 174.914 -2.898 25542 2398 1 9 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.860 -0.482 25542 2399 1 9 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.288 -0.342 25542 2400 1 9 . 1 1 13 13 TYR H H 13 8.286 8.286 8.005 0.281 25542 2401 1 9 . 1 1 14 14 ASP N N 14 120.647 120.647 123.253 -2.606 25542 2402 1 9 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.849 -0.162 25542 2403 1 9 . 1 1 14 14 ASP C C 14 173.276 173.276 175.050 -1.774 25542 2404 1 9 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.457 -1.821 25542 2405 1 9 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.367 -2.162 25542 2406 1 9 . 1 1 14 14 ASP H H 14 8.611 8.611 8.532 0.079 25542 2407 1 9 . 1 1 15 15 LEU N N 15 126.198 126.198 126.539 -0.341 25542 2408 1 9 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.684 -0.951 25542 2409 1 9 . 1 1 15 15 LEU C C 15 175.592 175.592 177.314 -1.722 25542 2410 1 9 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.780 -0.405 25542 2411 1 9 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.349 -1.403 25542 2412 1 9 . 1 1 15 15 LEU H H 15 8.877 8.877 8.497 0.380 25542 2413 1 9 . 1 1 16 16 SER N N 16 116.464 116.464 117.809 -1.345 25542 2414 1 9 . 1 1 16 16 SER HA H 16 4.142 4.142 4.096 0.046 25542 2415 1 9 . 1 1 16 16 SER C C 16 173.247 173.247 174.215 -0.968 25542 2416 1 9 . 1 1 16 16 SER CA C 16 61.699 61.699 61.224 0.475 25542 2417 1 9 . 1 1 16 16 SER CB C 16 62.708 62.708 63.656 -0.948 25542 2418 1 9 . 1 1 16 16 SER H H 16 8.132 8.132 8.236 -0.104 25542 2419 1 9 . 1 1 17 17 LYS N N 17 118.179 118.179 119.217 -1.038 25542 2420 1 9 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.539 -0.038 25542 2421 1 9 . 1 1 17 17 LYS C C 17 175.079 175.079 175.630 -0.551 25542 2422 1 9 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.026 -0.832 25542 2423 1 9 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.792 -1.739 25542 2424 1 9 . 1 1 17 17 LYS H H 17 8.496 8.496 8.243 0.253 25542 2425 1 9 . 1 1 18 18 TRP N N 18 121.857 121.857 122.710 -0.853 25542 2426 1 9 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.929 -0.338 25542 2427 1 9 . 1 1 18 18 TRP C C 18 174.862 174.862 175.464 -0.602 25542 2428 1 9 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.324 2.861 25542 2429 1 9 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.214 -3.582 25542 2430 1 9 . 1 1 18 18 TRP H H 18 7.830 7.830 8.422 -0.592 25542 2431 1 9 . 1 1 19 19 LYS N N 19 123.014 123.014 120.623 2.391 25542 2432 1 9 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.452 0.093 25542 2433 1 9 . 1 1 19 19 LYS C C 19 175.094 175.094 177.528 -2.434 25542 2434 1 9 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.256 1.013 25542 2435 1 9 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.379 -0.288 25542 2436 1 9 . 1 1 19 19 LYS H H 19 9.533 9.533 8.096 1.437 25542 2437 1 9 . 1 1 20 20 TYR N N 20 124.553 124.553 119.753 4.800 25542 2438 1 9 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.212 -0.197 25542 2439 1 9 . 1 1 20 20 TYR C C 20 174.531 174.531 177.499 -2.968 25542 2440 1 9 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.209 1.927 25542 2441 1 9 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.869 1.245 25542 2442 1 9 . 1 1 20 20 TYR H H 20 9.400 9.400 8.039 1.361 25542 2443 1 9 . 1 1 21 21 ALA N N 21 117.974 117.974 123.367 -5.393 25542 2444 1 9 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.146 -0.329 25542 2445 1 9 . 1 1 21 21 ALA C C 21 176.314 176.314 179.310 -2.996 25542 2446 1 9 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.455 -0.103 25542 2447 1 9 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.446 1.161 25542 2448 1 9 . 1 1 21 21 ALA H H 21 8.991 8.991 7.818 1.173 25542 2449 1 9 . 1 1 22 22 GLU N N 22 115.300 115.300 118.938 -3.638 25542 2450 1 9 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.986 0.121 25542 2451 1 9 . 1 1 22 22 GLU C C 22 177.380 177.380 179.121 -1.741 25542 2452 1 9 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.841 -0.411 25542 2453 1 9 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.698 1.172 25542 2454 1 9 . 1 1 22 22 GLU H H 22 6.842 6.842 8.459 -1.617 25542 2455 1 9 . 1 1 23 23 LEU N N 23 122.086 122.086 122.056 0.030 25542 2456 1 9 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.257 -0.091 25542 2457 1 9 . 1 1 23 23 LEU C C 23 174.830 174.830 179.308 -4.478 25542 2458 1 9 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.460 0.183 25542 2459 1 9 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.092 1.019 25542 2460 1 9 . 1 1 23 23 LEU H H 23 7.906 7.906 8.415 -0.509 25542 2461 1 9 . 1 1 24 24 ARG N N 24 117.974 117.974 119.098 -1.124 25542 2462 1 9 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.900 -0.241 25542 2463 1 9 . 1 1 24 24 ARG C C 24 175.240 175.240 178.380 -3.140 25542 2464 1 9 . 1 1 24 24 ARG CA C 24 59.031 59.031 60.033 -1.002 25542 2465 1 9 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.198 -0.364 25542 2466 1 9 . 1 1 24 24 ARG H H 24 8.220 8.220 8.284 -0.064 25542 2467 1 9 . 1 1 25 25 ASP N N 25 118.179 118.179 118.535 -0.356 25542 2468 1 9 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.423 -0.037 25542 2469 1 9 . 1 1 25 25 ASP C C 25 176.554 176.554 178.954 -2.400 25542 2470 1 9 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.561 -0.274 25542 2471 1 9 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.898 -0.856 25542 2472 1 9 . 1 1 25 25 ASP H H 25 8.482 8.482 8.330 0.152 25542 2473 1 9 . 1 1 26 26 THR N N 26 118.385 118.385 117.052 1.333 25542 2474 1 9 . 1 1 26 26 THR HA H 26 3.900 3.900 4.044 -0.144 25542 2475 1 9 . 1 1 26 26 THR C C 26 173.365 173.365 176.812 -3.447 25542 2476 1 9 . 1 1 26 26 THR CA C 26 67.774 67.774 66.588 1.186 25542 2477 1 9 . 1 1 26 26 THR CB C 26 67.779 67.779 69.179 -1.400 25542 2478 1 9 . 1 1 26 26 THR H H 26 7.930 7.930 8.539 -0.609 25542 2479 1 9 . 1 1 27 27 ILE N N 27 122.497 122.497 119.534 2.963 25542 2480 1 9 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.941 -0.296 25542 2481 1 9 . 1 1 27 27 ILE C C 27 174.485 174.485 176.128 -1.643 25542 2482 1 9 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.428 1.190 25542 2483 1 9 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.206 -0.555 25542 2484 1 9 . 1 1 27 27 ILE H H 27 8.145 8.145 8.005 0.140 25542 2485 1 9 . 1 1 28 28 ASN N N 28 115.095 115.095 115.573 -0.478 25542 2486 1 9 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.765 -0.143 25542 2487 1 9 . 1 1 28 28 ASN C C 28 173.902 173.902 175.980 -2.078 25542 2488 1 9 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.174 0.255 25542 2489 1 9 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.615 -0.446 25542 2490 1 9 . 1 1 28 28 ASN H H 28 7.700 7.700 8.158 -0.458 25542 2491 1 9 . 1 1 29 29 THR N N 29 107.692 107.692 110.484 -2.792 25542 2492 1 9 . 1 1 29 29 THR HA H 29 4.606 4.606 4.514 0.092 25542 2493 1 9 . 1 1 29 29 THR C C 29 172.290 172.290 175.379 -3.089 25542 2494 1 9 . 1 1 29 29 THR CA C 29 62.629 62.629 62.366 0.263 25542 2495 1 9 . 1 1 29 29 THR CB C 29 72.232 72.232 70.268 1.964 25542 2496 1 9 . 1 1 29 29 THR H H 29 7.592 7.592 8.149 -0.557 25542 2497 1 9 . 1 1 30 30 SER N N 30 117.670 117.670 117.414 0.256 25542 2498 1 9 . 1 1 30 30 SER HA H 30 4.298 4.298 4.640 -0.342 25542 2499 1 9 . 1 1 30 30 SER C C 30 172.473 172.473 172.977 -0.504 25542 2500 1 9 . 1 1 30 30 SER CA C 30 59.633 59.633 58.757 0.876 25542 2501 1 9 . 1 1 30 30 SER CB C 30 64.278 64.278 64.476 -0.198 25542 2502 1 9 . 1 1 30 30 SER H H 30 8.701 8.701 8.264 0.437 25542 2503 1 9 . 1 1 31 31 CYS N N 31 121.263 121.263 119.713 1.550 25542 2504 1 9 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.678 0.103 25542 2505 1 9 . 1 1 31 31 CYS C C 31 170.861 170.861 172.406 -1.545 25542 2506 1 9 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.256 -1.851 25542 2507 1 9 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.038 -0.735 25542 2508 1 9 . 1 1 31 31 CYS H H 31 8.719 8.719 8.477 0.242 25542 2509 1 9 . 1 1 32 32 ASP N N 32 124.542 124.542 126.950 -2.408 25542 2510 1 9 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.723 -0.101 25542 2511 1 9 . 1 1 32 32 ASP C C 32 172.541 172.541 176.504 -3.963 25542 2512 1 9 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.069 -0.915 25542 2513 1 9 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.978 -1.738 25542 2514 1 9 . 1 1 32 32 ASP H H 32 8.551 8.551 8.298 0.253 25542 2515 1 9 . 1 1 33 33 ILE N N 33 125.170 125.170 121.892 3.278 25542 2516 1 9 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.564 0.130 25542 2517 1 9 . 1 1 33 33 ILE C C 33 175.743 175.743 176.931 -1.188 25542 2518 1 9 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.172 0.564 25542 2519 1 9 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.787 0.028 25542 2520 1 9 . 1 1 33 33 ILE H H 33 8.464 8.464 8.604 -0.140 25542 2521 1 9 . 1 1 34 34 GLU N N 34 121.058 121.058 119.227 1.831 25542 2522 1 9 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.782 0.360 25542 2523 1 9 . 1 1 34 34 GLU C C 34 176.406 176.406 178.330 -1.924 25542 2524 1 9 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.596 0.515 25542 2525 1 9 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.655 1.067 25542 2526 1 9 . 1 1 34 34 GLU H H 34 8.186 8.186 7.815 0.371 25542 2527 1 9 . 1 1 35 35 LEU N N 35 124.965 124.965 121.236 3.729 25542 2528 1 9 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.969 -0.334 25542 2529 1 9 . 1 1 35 35 LEU C C 35 176.399 176.399 178.927 -2.528 25542 2530 1 9 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.456 -0.428 25542 2531 1 9 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.209 -0.227 25542 2532 1 9 . 1 1 35 35 LEU H H 35 7.849 7.849 7.881 -0.032 25542 2533 1 9 . 1 1 36 36 LEU N N 36 120.453 120.453 117.958 2.495 25542 2534 1 9 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.801 -0.122 25542 2535 1 9 . 1 1 36 36 LEU C C 36 176.280 176.280 178.878 -2.598 25542 2536 1 9 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.043 0.692 25542 2537 1 9 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.730 1.740 25542 2538 1 9 . 1 1 36 36 LEU H H 36 8.867 8.867 8.690 0.177 25542 2539 1 9 . 1 1 37 37 ALA N N 37 120.030 120.030 121.674 -1.644 25542 2540 1 9 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.809 0.199 25542 2541 1 9 . 1 1 37 37 ALA C C 37 177.606 177.606 179.406 -1.800 25542 2542 1 9 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.104 -0.003 25542 2543 1 9 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.745 -0.104 25542 2544 1 9 . 1 1 37 37 ALA H H 37 7.624 7.624 7.900 -0.276 25542 2545 1 9 . 1 1 38 38 ALA N N 38 121.675 121.675 120.807 0.868 25542 2546 1 9 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.950 0.160 25542 2547 1 9 . 1 1 38 38 ALA C C 38 178.452 178.452 179.030 -0.578 25542 2548 1 9 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.892 -0.063 25542 2549 1 9 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.114 -0.106 25542 2550 1 9 . 1 1 38 38 ALA H H 38 7.681 7.681 8.465 -0.784 25542 2551 1 9 . 1 1 39 39 CYS N N 39 119.413 119.413 118.056 1.357 25542 2552 1 9 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.981 -0.236 25542 2553 1 9 . 1 1 39 39 CYS C C 39 173.860 173.860 177.032 -3.172 25542 2554 1 9 . 1 1 39 39 CYS CA C 39 63.819 63.819 62.651 1.168 25542 2555 1 9 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.017 0.293 25542 2556 1 9 . 1 1 39 39 CYS H H 39 8.806 8.806 8.029 0.777 25542 2557 1 9 . 1 1 40 40 ARG N N 40 119.824 119.824 119.310 0.514 25542 2558 1 9 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.915 0.004 25542 2559 1 9 . 1 1 40 40 ARG C C 40 176.108 176.108 178.876 -2.768 25542 2560 1 9 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.147 0.385 25542 2561 1 9 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.974 -0.128 25542 2562 1 9 . 1 1 40 40 ARG H H 40 8.382 8.382 8.586 -0.204 25542 2563 1 9 . 1 1 41 41 GLU N N 41 119.618 119.618 118.739 0.879 25542 2564 1 9 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.034 0.053 25542 2565 1 9 . 1 1 41 41 GLU C C 41 171.786 171.786 179.225 -7.439 25542 2566 1 9 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.452 -0.252 25542 2567 1 9 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.015 0.262 25542 2568 1 9 . 1 1 41 41 GLU H H 41 7.949 7.949 8.280 -0.331 25542 2569 1 9 . 1 1 42 42 GLU N N 42 121.469 121.469 119.762 1.707 25542 2570 1 9 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.130 0.180 25542 2571 1 9 . 1 1 42 42 GLU C C 42 173.408 173.408 179.257 -5.849 25542 2572 1 9 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.216 -0.957 25542 2573 1 9 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.415 -1.273 25542 2574 1 9 . 1 1 42 42 GLU H H 42 7.980 7.980 8.275 -0.295 25542 2575 1 9 . 1 1 43 43 PHE N N 43 119.824 119.824 120.261 -0.437 25542 2576 1 9 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.187 -0.073 25542 2577 1 9 . 1 1 43 43 PHE C C 43 175.299 175.299 178.041 -2.742 25542 2578 1 9 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.438 -0.775 25542 2579 1 9 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.748 0.459 25542 2580 1 9 . 1 1 43 43 PHE H H 43 8.717 8.717 8.627 0.090 25542 2581 1 9 . 1 1 44 44 HIS N N 44 116.534 116.534 118.867 -2.333 25542 2582 1 9 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.179 0.102 25542 2583 1 9 . 1 1 44 44 HIS C C 44 174.771 174.771 177.716 -2.945 25542 2584 1 9 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.688 -1.151 25542 2585 1 9 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.108 -0.605 25542 2586 1 9 . 1 1 44 44 HIS H H 44 8.105 8.105 8.819 -0.714 25542 2587 1 9 . 1 1 45 45 ARG N N 45 120.875 120.875 119.174 1.701 25542 2588 1 9 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.033 -0.110 25542 2589 1 9 . 1 1 45 45 ARG C C 45 176.310 176.310 178.623 -2.313 25542 2590 1 9 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.695 0.071 25542 2591 1 9 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.102 0.177 25542 2592 1 9 . 1 1 45 45 ARG H H 45 8.278 8.278 8.392 -0.114 25542 2593 1 9 . 1 1 46 46 ARG N N 46 116.740 116.740 119.817 -3.077 25542 2594 1 9 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.037 -0.078 25542 2595 1 9 . 1 1 46 46 ARG C C 46 176.046 176.046 178.938 -2.892 25542 2596 1 9 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.172 -0.338 25542 2597 1 9 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.640 0.218 25542 2598 1 9 . 1 1 46 46 ARG H H 46 8.068 8.068 8.210 -0.142 25542 2599 1 9 . 1 1 47 47 LEU N N 47 120.441 120.441 119.334 1.107 25542 2600 1 9 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.214 -0.283 25542 2601 1 9 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.414 2.352 25542 2602 1 9 . 1 1 47 47 LEU CB C 47 41.625 41.625 40.820 0.805 25542 2603 1 9 . 1 1 47 47 LEU H H 47 7.868 7.868 8.341 -0.473 25542 2604 1 9 . 1 1 48 48 LYS N N 48 119.413 119.413 121.198 -1.785 25542 2605 1 9 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.000 0.079 25542 2606 1 9 . 1 1 48 48 LYS C C 48 176.354 176.354 179.152 -2.798 25542 2607 1 9 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.917 -1.760 25542 2608 1 9 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.697 -0.633 25542 2609 1 9 . 1 1 48 48 LYS H H 48 7.784 7.784 8.047 -0.263 25542 2610 1 9 . 1 1 49 49 VAL N N 49 119.618 119.618 117.923 1.695 25542 2611 1 9 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.891 -0.063 25542 2612 1 9 . 1 1 49 49 VAL C C 49 174.195 174.195 177.878 -3.683 25542 2613 1 9 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.059 -1.140 25542 2614 1 9 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.964 1.345 25542 2615 1 9 . 1 1 49 49 VAL H H 49 7.767 7.767 8.456 -0.689 25542 2616 1 9 . 1 1 50 50 TYR N N 50 122.497 122.497 121.911 0.586 25542 2617 1 9 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.039 0.125 25542 2618 1 9 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.439 -3.137 25542 2619 1 9 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.456 -0.170 25542 2620 1 9 . 1 1 50 50 TYR H H 50 8.142 8.142 8.652 -0.510 25542 2621 1 9 . 1 1 51 51 HIS N N 51 119.002 119.002 118.407 0.595 25542 2622 1 9 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.347 -0.127 25542 2623 1 9 . 1 1 51 51 HIS C C 51 174.214 174.214 176.717 -2.503 25542 2624 1 9 . 1 1 51 51 HIS CA C 51 57.428 57.428 59.019 -1.591 25542 2625 1 9 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.423 -0.324 25542 2626 1 9 . 1 1 51 51 HIS H H 51 8.427 8.427 8.234 0.193 25542 2627 1 9 . 1 1 52 52 ALA N N 52 123.731 123.731 121.379 2.352 25542 2628 1 9 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.236 -0.095 25542 2629 1 9 . 1 1 52 52 ALA C C 52 176.134 176.134 178.709 -2.575 25542 2630 1 9 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.572 0.526 25542 2631 1 9 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.306 -0.111 25542 2632 1 9 . 1 1 52 52 ALA H H 52 8.072 8.072 7.779 0.293 25542 2633 1 9 . 1 1 53 53 TRP N N 53 120.614 120.614 118.705 1.909 25542 2634 1 9 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.260 0.089 25542 2635 1 9 . 1 1 53 53 TRP C C 53 173.394 173.394 177.131 -3.737 25542 2636 1 9 . 1 1 53 53 TRP CA C 53 58.776 58.776 60.240 -1.464 25542 2637 1 9 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.310 -0.649 25542 2638 1 9 . 1 1 53 53 TRP H H 53 8.045 8.045 7.814 0.231 25542 2639 1 9 . 1 1 54 54 LYS N N 54 121.675 121.675 117.239 4.436 25542 2640 1 9 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.997 0.182 25542 2641 1 9 . 1 1 54 54 LYS CA C 54 56.089 56.089 58.417 -2.328 25542 2642 1 9 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.200 -0.136 25542 2643 1 9 . 1 1 54 54 LYS H H 54 8.230 8.230 7.541 0.689 25542 2644 1 9 . 1 1 55 55 SER N N 55 114.683 114.683 110.418 4.265 25542 2645 1 9 . 1 1 55 55 SER HA H 55 4.163 4.163 4.383 -0.220 25542 2646 1 9 . 1 1 55 55 SER C C 55 177.387 177.387 174.520 2.867 25542 2647 1 9 . 1 1 55 55 SER CA C 55 59.440 59.440 58.572 0.868 25542 2648 1 9 . 1 1 55 55 SER CB C 55 63.319 63.319 63.692 -0.373 25542 2649 1 9 . 1 1 55 55 SER H H 55 7.920 7.920 8.560 -0.640 25542 2650 1 9 . 1 1 56 56 LYS N N 56 122.086 122.086 119.940 2.146 25542 2651 1 9 . 1 1 56 56 LYS HA H 56 4.161 4.161 3.872 0.289 25542 2652 1 9 . 1 1 56 56 LYS C C 56 174.830 174.830 176.571 -1.741 25542 2653 1 9 . 1 1 56 56 LYS CA C 56 57.069 57.069 59.072 -2.003 25542 2654 1 9 . 1 1 56 56 LYS CB C 56 32.787 32.787 30.425 2.362 25542 2655 1 9 . 1 1 56 56 LYS H H 56 7.907 7.907 8.650 -0.743 25542 2656 1 9 . 1 1 57 57 ASN N N 57 118.385 118.385 120.402 -2.017 25542 2657 1 9 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.704 -0.177 25542 2658 1 9 . 1 1 57 57 ASN C C 57 175.845 175.845 175.629 0.216 25542 2659 1 9 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.329 0.019 25542 2660 1 9 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.816 0.026 25542 2661 1 9 . 1 1 57 57 ASN H H 57 8.019 8.019 8.592 -0.573 25542 2662 1 9 . 1 1 58 58 LYS N N 58 121.675 121.675 120.995 0.680 25542 2663 1 9 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.056 0.139 25542 2664 1 9 . 1 1 58 58 LYS C C 58 175.343 175.343 176.410 -1.067 25542 2665 1 9 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.946 -0.457 25542 2666 1 9 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.487 0.224 25542 2667 1 9 . 1 1 58 58 LYS H H 58 8.039 8.039 8.230 -0.191 25542 2668 1 9 . 1 1 59 59 LYS N N 59 123.434 123.434 119.746 3.688 25542 2669 1 9 . 1 1 59 59 LYS HA H 59 4.225 4.225 3.993 0.232 25542 2670 1 9 . 1 1 59 59 LYS C C 59 172.827 172.827 175.653 -2.826 25542 2671 1 9 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.653 -0.440 25542 2672 1 9 . 1 1 59 59 LYS CB C 59 32.913 32.913 31.694 1.219 25542 2673 1 9 . 1 1 59 59 LYS H H 59 8.348 8.348 8.332 0.016 25542 2674 1 10 . 1 1 10 10 THR N N 10 114.478 114.478 116.217 -1.739 25542 2675 1 10 . 1 1 10 10 THR HA H 10 4.249 4.249 4.588 -0.339 25542 2676 1 10 . 1 1 10 10 THR C C 10 171.741 171.741 175.177 -3.436 25542 2677 1 10 . 1 1 10 10 THR CA C 10 62.036 62.036 61.505 0.531 25542 2678 1 10 . 1 1 10 10 THR CB C 10 69.784 69.784 69.669 0.115 25542 2679 1 10 . 1 1 10 10 THR H H 10 8.118 8.118 8.249 -0.131 25542 2680 1 10 . 1 1 11 11 LYS N N 11 124.759 124.759 121.251 3.508 25542 2681 1 10 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.285 -0.114 25542 2682 1 10 . 1 1 11 11 LYS C C 11 172.964 172.964 177.656 -4.692 25542 2683 1 10 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.802 0.383 25542 2684 1 10 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.957 -0.138 25542 2685 1 10 . 1 1 11 11 LYS H H 11 8.442 8.442 8.498 -0.056 25542 2686 1 10 . 1 1 12 12 LYS N N 12 123.320 123.320 119.354 3.966 25542 2687 1 10 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.149 -0.033 25542 2688 1 10 . 1 1 12 12 LYS C C 12 173.147 173.147 177.332 -4.185 25542 2689 1 10 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.255 -1.947 25542 2690 1 10 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.404 0.801 25542 2691 1 10 . 1 1 12 12 LYS H H 12 8.239 8.239 8.271 -0.032 25542 2692 1 10 . 1 1 13 13 TYR N N 13 119.413 119.413 117.095 2.318 25542 2693 1 10 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.598 -0.186 25542 2694 1 10 . 1 1 13 13 TYR C C 13 172.016 172.016 174.603 -2.587 25542 2695 1 10 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.537 -0.159 25542 2696 1 10 . 1 1 13 13 TYR CB C 13 39.946 39.946 41.254 -1.308 25542 2697 1 10 . 1 1 13 13 TYR H H 13 8.286 8.286 7.698 0.588 25542 2698 1 10 . 1 1 14 14 ASP N N 14 120.647 120.647 123.219 -2.572 25542 2699 1 10 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.915 -0.228 25542 2700 1 10 . 1 1 14 14 ASP C C 14 173.276 173.276 174.916 -1.640 25542 2701 1 10 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.587 -1.951 25542 2702 1 10 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.663 -1.458 25542 2703 1 10 . 1 1 14 14 ASP H H 14 8.611 8.611 8.536 0.075 25542 2704 1 10 . 1 1 15 15 LEU N N 15 126.198 126.198 126.266 -0.068 25542 2705 1 10 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.745 -1.012 25542 2706 1 10 . 1 1 15 15 LEU C C 15 175.592 175.592 177.187 -1.595 25542 2707 1 10 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.826 -0.451 25542 2708 1 10 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.084 -1.138 25542 2709 1 10 . 1 1 15 15 LEU H H 15 8.877 8.877 8.406 0.471 25542 2710 1 10 . 1 1 16 16 SER N N 16 116.464 116.464 117.910 -1.446 25542 2711 1 10 . 1 1 16 16 SER HA H 16 4.142 4.142 4.089 0.053 25542 2712 1 10 . 1 1 16 16 SER C C 16 173.247 173.247 174.197 -0.950 25542 2713 1 10 . 1 1 16 16 SER CA C 16 61.699 61.699 60.981 0.718 25542 2714 1 10 . 1 1 16 16 SER CB C 16 62.708 62.708 63.557 -0.849 25542 2715 1 10 . 1 1 16 16 SER H H 16 8.132 8.132 8.303 -0.171 25542 2716 1 10 . 1 1 17 17 LYS N N 17 118.179 118.179 118.810 -0.631 25542 2717 1 10 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.618 -0.117 25542 2718 1 10 . 1 1 17 17 LYS C C 17 175.079 175.079 175.528 -0.449 25542 2719 1 10 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.029 -0.835 25542 2720 1 10 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.671 -1.618 25542 2721 1 10 . 1 1 17 17 LYS H H 17 8.496 8.496 8.137 0.359 25542 2722 1 10 . 1 1 18 18 TRP N N 18 121.857 121.857 124.542 -2.685 25542 2723 1 10 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.020 -0.428 25542 2724 1 10 . 1 1 18 18 TRP C C 18 174.862 174.862 175.920 -1.058 25542 2725 1 10 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.170 3.015 25542 2726 1 10 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.172 -3.540 25542 2727 1 10 . 1 1 18 18 TRP H H 18 7.830 7.830 8.630 -0.800 25542 2728 1 10 . 1 1 19 19 LYS N N 19 123.014 123.014 119.401 3.613 25542 2729 1 10 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.702 -0.157 25542 2730 1 10 . 1 1 19 19 LYS C C 19 175.094 175.094 177.098 -2.004 25542 2731 1 10 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.078 1.191 25542 2732 1 10 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.734 -0.643 25542 2733 1 10 . 1 1 19 19 LYS H H 19 9.533 9.533 9.550 -0.017 25542 2734 1 10 . 1 1 20 20 TYR N N 20 124.553 124.553 125.275 -0.722 25542 2735 1 10 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.067 -0.052 25542 2736 1 10 . 1 1 20 20 TYR C C 20 174.531 174.531 177.164 -2.633 25542 2737 1 10 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.861 0.276 25542 2738 1 10 . 1 1 20 20 TYR CB C 20 38.114 38.114 38.274 -0.160 25542 2739 1 10 . 1 1 20 20 TYR H H 20 9.400 9.400 9.116 0.284 25542 2740 1 10 . 1 1 21 21 ALA N N 21 117.974 117.974 121.838 -3.864 25542 2741 1 10 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.011 -0.194 25542 2742 1 10 . 1 1 21 21 ALA C C 21 176.314 176.314 179.000 -2.686 25542 2743 1 10 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.547 -0.195 25542 2744 1 10 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.436 1.171 25542 2745 1 10 . 1 1 21 21 ALA H H 21 8.991 8.991 8.494 0.497 25542 2746 1 10 . 1 1 22 22 GLU N N 22 115.300 115.300 119.191 -3.891 25542 2747 1 10 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.973 0.134 25542 2748 1 10 . 1 1 22 22 GLU C C 22 177.380 177.380 179.109 -1.729 25542 2749 1 10 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.822 -0.392 25542 2750 1 10 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.696 1.174 25542 2751 1 10 . 1 1 22 22 GLU H H 22 6.842 6.842 8.527 -1.685 25542 2752 1 10 . 1 1 23 23 LEU N N 23 122.086 122.086 121.887 0.199 25542 2753 1 10 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.202 -0.036 25542 2754 1 10 . 1 1 23 23 LEU C C 23 174.830 174.830 179.076 -4.246 25542 2755 1 10 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.367 0.276 25542 2756 1 10 . 1 1 23 23 LEU CB C 23 43.111 43.111 41.988 1.123 25542 2757 1 10 . 1 1 23 23 LEU H H 23 7.906 7.906 8.599 -0.693 25542 2758 1 10 . 1 1 24 24 ARG N N 24 117.974 117.974 119.028 -1.054 25542 2759 1 10 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.746 -0.087 25542 2760 1 10 . 1 1 24 24 ARG C C 24 175.240 175.240 178.264 -3.024 25542 2761 1 10 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.824 -0.793 25542 2762 1 10 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.846 -0.013 25542 2763 1 10 . 1 1 24 24 ARG H H 24 8.220 8.220 7.934 0.286 25542 2764 1 10 . 1 1 25 25 ASP N N 25 118.179 118.179 118.319 -0.140 25542 2765 1 10 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.372 0.014 25542 2766 1 10 . 1 1 25 25 ASP C C 25 176.554 176.554 178.489 -1.935 25542 2767 1 10 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.416 -0.130 25542 2768 1 10 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.781 -0.739 25542 2769 1 10 . 1 1 25 25 ASP H H 25 8.482 8.482 8.204 0.278 25542 2770 1 10 . 1 1 26 26 THR N N 26 118.385 118.385 116.541 1.844 25542 2771 1 10 . 1 1 26 26 THR HA H 26 3.900 3.900 4.028 -0.128 25542 2772 1 10 . 1 1 26 26 THR C C 26 173.365 173.365 176.927 -3.562 25542 2773 1 10 . 1 1 26 26 THR CA C 26 67.774 67.774 66.463 1.311 25542 2774 1 10 . 1 1 26 26 THR CB C 26 67.779 67.779 69.134 -1.355 25542 2775 1 10 . 1 1 26 26 THR H H 26 7.930 7.930 8.337 -0.407 25542 2776 1 10 . 1 1 27 27 ILE N N 27 122.497 122.497 119.561 2.936 25542 2777 1 10 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.891 -0.246 25542 2778 1 10 . 1 1 27 27 ILE C C 27 174.485 174.485 176.103 -1.618 25542 2779 1 10 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.447 1.171 25542 2780 1 10 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.154 -0.502 25542 2781 1 10 . 1 1 27 27 ILE H H 27 8.145 8.145 7.948 0.197 25542 2782 1 10 . 1 1 28 28 ASN N N 28 115.095 115.095 115.707 -0.612 25542 2783 1 10 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.730 -0.108 25542 2784 1 10 . 1 1 28 28 ASN C C 28 173.902 173.902 176.139 -2.237 25542 2785 1 10 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.187 0.242 25542 2786 1 10 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.527 -0.358 25542 2787 1 10 . 1 1 28 28 ASN H H 28 7.700 7.700 8.102 -0.402 25542 2788 1 10 . 1 1 29 29 THR N N 29 107.692 107.692 110.852 -3.160 25542 2789 1 10 . 1 1 29 29 THR HA H 29 4.606 4.606 4.567 0.039 25542 2790 1 10 . 1 1 29 29 THR C C 29 172.290 172.290 175.253 -2.963 25542 2791 1 10 . 1 1 29 29 THR CA C 29 62.629 62.629 62.480 0.149 25542 2792 1 10 . 1 1 29 29 THR CB C 29 72.232 72.232 69.957 2.275 25542 2793 1 10 . 1 1 29 29 THR H H 29 7.592 7.592 8.100 -0.508 25542 2794 1 10 . 1 1 30 30 SER N N 30 117.670 117.670 118.092 -0.422 25542 2795 1 10 . 1 1 30 30 SER HA H 30 4.298 4.298 4.633 -0.335 25542 2796 1 10 . 1 1 30 30 SER C C 30 172.473 172.473 173.009 -0.536 25542 2797 1 10 . 1 1 30 30 SER CA C 30 59.633 59.633 58.382 1.251 25542 2798 1 10 . 1 1 30 30 SER CB C 30 64.278 64.278 64.738 -0.460 25542 2799 1 10 . 1 1 30 30 SER H H 30 8.701 8.701 8.229 0.472 25542 2800 1 10 . 1 1 31 31 CYS N N 31 121.263 121.263 119.628 1.635 25542 2801 1 10 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.635 0.146 25542 2802 1 10 . 1 1 31 31 CYS C C 31 170.861 170.861 172.335 -1.474 25542 2803 1 10 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.815 -1.410 25542 2804 1 10 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.095 -0.792 25542 2805 1 10 . 1 1 31 31 CYS H H 31 8.719 8.719 8.492 0.227 25542 2806 1 10 . 1 1 32 32 ASP N N 32 124.542 124.542 126.908 -2.366 25542 2807 1 10 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.700 -0.078 25542 2808 1 10 . 1 1 32 32 ASP C C 32 172.541 172.541 176.339 -3.798 25542 2809 1 10 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.039 -0.885 25542 2810 1 10 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.005 -1.764 25542 2811 1 10 . 1 1 32 32 ASP H H 32 8.551 8.551 8.322 0.229 25542 2812 1 10 . 1 1 33 33 ILE N N 33 125.170 125.170 121.864 3.306 25542 2813 1 10 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.552 0.142 25542 2814 1 10 . 1 1 33 33 ILE C C 33 175.743 175.743 176.905 -1.162 25542 2815 1 10 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.141 0.595 25542 2816 1 10 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.778 0.037 25542 2817 1 10 . 1 1 33 33 ILE H H 33 8.464 8.464 8.599 -0.135 25542 2818 1 10 . 1 1 34 34 GLU N N 34 121.058 121.058 119.295 1.763 25542 2819 1 10 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.779 0.363 25542 2820 1 10 . 1 1 34 34 GLU C C 34 176.406 176.406 178.287 -1.881 25542 2821 1 10 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.589 0.522 25542 2822 1 10 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.742 0.980 25542 2823 1 10 . 1 1 34 34 GLU H H 34 8.186 8.186 7.810 0.376 25542 2824 1 10 . 1 1 35 35 LEU N N 35 124.965 124.965 121.233 3.732 25542 2825 1 10 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.878 -0.243 25542 2826 1 10 . 1 1 35 35 LEU C C 35 176.399 176.399 178.872 -2.473 25542 2827 1 10 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.414 -0.386 25542 2828 1 10 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.154 -0.172 25542 2829 1 10 . 1 1 35 35 LEU H H 35 7.849 7.849 7.851 -0.002 25542 2830 1 10 . 1 1 36 36 LEU N N 36 120.453 120.453 117.920 2.533 25542 2831 1 10 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.746 -0.067 25542 2832 1 10 . 1 1 36 36 LEU C C 36 176.280 176.280 178.824 -2.544 25542 2833 1 10 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.009 0.726 25542 2834 1 10 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.678 1.791 25542 2835 1 10 . 1 1 36 36 LEU H H 36 8.867 8.867 8.647 0.220 25542 2836 1 10 . 1 1 37 37 ALA N N 37 120.030 120.030 121.959 -1.929 25542 2837 1 10 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.730 0.278 25542 2838 1 10 . 1 1 37 37 ALA C C 37 177.606 177.606 178.960 -1.354 25542 2839 1 10 . 1 1 37 37 ALA CA C 37 55.101 55.101 54.998 0.103 25542 2840 1 10 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.743 -0.102 25542 2841 1 10 . 1 1 37 37 ALA H H 37 7.624 7.624 7.833 -0.209 25542 2842 1 10 . 1 1 38 38 ALA N N 38 121.675 121.675 120.545 1.130 25542 2843 1 10 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.819 0.291 25542 2844 1 10 . 1 1 38 38 ALA C C 38 178.452 178.452 178.621 -0.169 25542 2845 1 10 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.985 -0.156 25542 2846 1 10 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.039 -0.031 25542 2847 1 10 . 1 1 38 38 ALA H H 38 7.681 7.681 8.303 -0.622 25542 2848 1 10 . 1 1 39 39 CYS N N 39 119.413 119.413 118.109 1.304 25542 2849 1 10 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.941 -0.196 25542 2850 1 10 . 1 1 39 39 CYS C C 39 173.860 173.860 176.863 -3.003 25542 2851 1 10 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.019 0.800 25542 2852 1 10 . 1 1 39 39 CYS CB C 39 27.310 27.310 26.398 0.912 25542 2853 1 10 . 1 1 39 39 CYS H H 39 8.806 8.806 8.044 0.762 25542 2854 1 10 . 1 1 40 40 ARG N N 40 119.824 119.824 120.224 -0.400 25542 2855 1 10 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.799 0.120 25542 2856 1 10 . 1 1 40 40 ARG C C 40 176.108 176.108 178.240 -2.132 25542 2857 1 10 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.962 0.570 25542 2858 1 10 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.017 -0.171 25542 2859 1 10 . 1 1 40 40 ARG H H 40 8.382 8.382 8.487 -0.105 25542 2860 1 10 . 1 1 41 41 GLU N N 41 119.618 119.618 118.435 1.183 25542 2861 1 10 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.814 0.273 25542 2862 1 10 . 1 1 41 41 GLU C C 41 171.786 171.786 179.313 -7.527 25542 2863 1 10 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.325 -0.125 25542 2864 1 10 . 1 1 41 41 GLU CB C 41 29.277 29.277 28.960 0.317 25542 2865 1 10 . 1 1 41 41 GLU H H 41 7.949 7.949 8.047 -0.098 25542 2866 1 10 . 1 1 42 42 GLU N N 42 121.469 121.469 119.301 2.168 25542 2867 1 10 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.088 0.222 25542 2868 1 10 . 1 1 42 42 GLU C C 42 173.408 173.408 179.133 -5.725 25542 2869 1 10 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.348 -1.089 25542 2870 1 10 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.342 -1.200 25542 2871 1 10 . 1 1 42 42 GLU H H 42 7.980 7.980 8.514 -0.534 25542 2872 1 10 . 1 1 43 43 PHE N N 43 119.824 119.824 120.364 -0.540 25542 2873 1 10 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.191 -0.077 25542 2874 1 10 . 1 1 43 43 PHE C C 43 175.299 175.299 178.048 -2.749 25542 2875 1 10 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.101 -0.438 25542 2876 1 10 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.632 0.576 25542 2877 1 10 . 1 1 43 43 PHE H H 43 8.717 8.717 8.696 0.021 25542 2878 1 10 . 1 1 44 44 HIS N N 44 116.534 116.534 118.049 -1.515 25542 2879 1 10 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.271 0.010 25542 2880 1 10 . 1 1 44 44 HIS C C 44 174.771 174.771 178.039 -3.268 25542 2881 1 10 . 1 1 44 44 HIS CA C 44 59.537 59.537 59.758 -0.221 25542 2882 1 10 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.401 0.101 25542 2883 1 10 . 1 1 44 44 HIS H H 44 8.105 8.105 8.731 -0.626 25542 2884 1 10 . 1 1 45 45 ARG N N 45 120.875 120.875 120.041 0.834 25542 2885 1 10 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.032 -0.109 25542 2886 1 10 . 1 1 45 45 ARG C C 45 176.310 176.310 178.451 -2.141 25542 2887 1 10 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.565 0.202 25542 2888 1 10 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.381 -0.102 25542 2889 1 10 . 1 1 45 45 ARG H H 45 8.278 8.278 8.406 -0.128 25542 2890 1 10 . 1 1 46 46 ARG N N 46 116.740 116.740 120.586 -3.846 25542 2891 1 10 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.161 -0.202 25542 2892 1 10 . 1 1 46 46 ARG C C 46 176.046 176.046 179.094 -3.048 25542 2893 1 10 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.183 -0.349 25542 2894 1 10 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.661 0.197 25542 2895 1 10 . 1 1 46 46 ARG H H 46 8.068 8.068 8.387 -0.319 25542 2896 1 10 . 1 1 47 47 LEU N N 47 120.441 120.441 119.422 1.019 25542 2897 1 10 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.231 -0.300 25542 2898 1 10 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.725 2.041 25542 2899 1 10 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.028 0.597 25542 2900 1 10 . 1 1 47 47 LEU H H 47 7.868 7.868 8.774 -0.906 25542 2901 1 10 . 1 1 48 48 LYS N N 48 119.413 119.413 121.175 -1.762 25542 2902 1 10 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.132 -0.053 25542 2903 1 10 . 1 1 48 48 LYS C C 48 176.354 176.354 178.971 -2.617 25542 2904 1 10 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.136 -1.979 25542 2905 1 10 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.579 -0.515 25542 2906 1 10 . 1 1 48 48 LYS H H 48 7.784 7.784 7.971 -0.187 25542 2907 1 10 . 1 1 49 49 VAL N N 49 119.618 119.618 117.540 2.078 25542 2908 1 10 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.846 -0.018 25542 2909 1 10 . 1 1 49 49 VAL C C 49 174.195 174.195 178.063 -3.868 25542 2910 1 10 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.994 -1.075 25542 2911 1 10 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.327 0.982 25542 2912 1 10 . 1 1 49 49 VAL H H 49 7.767 7.767 8.138 -0.371 25542 2913 1 10 . 1 1 50 50 TYR N N 50 122.497 122.497 120.860 1.637 25542 2914 1 10 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.161 0.003 25542 2915 1 10 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.366 -3.064 25542 2916 1 10 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.395 -0.109 25542 2917 1 10 . 1 1 50 50 TYR H H 50 8.142 8.142 8.590 -0.448 25542 2918 1 10 . 1 1 51 51 HIS N N 51 119.002 119.002 119.148 -0.146 25542 2919 1 10 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.148 0.072 25542 2920 1 10 . 1 1 51 51 HIS C C 51 174.214 174.214 176.285 -2.071 25542 2921 1 10 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.998 -1.571 25542 2922 1 10 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.274 -0.175 25542 2923 1 10 . 1 1 51 51 HIS H H 51 8.427 8.427 8.186 0.241 25542 2924 1 10 . 1 1 52 52 ALA N N 52 123.731 123.731 120.695 3.036 25542 2925 1 10 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.192 -0.051 25542 2926 1 10 . 1 1 52 52 ALA C C 52 176.134 176.134 178.356 -2.222 25542 2927 1 10 . 1 1 52 52 ALA CA C 52 54.098 54.098 52.932 1.166 25542 2928 1 10 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.771 -0.577 25542 2929 1 10 . 1 1 52 52 ALA H H 52 8.072 8.072 7.899 0.173 25542 2930 1 10 . 1 1 53 53 TRP N N 53 120.614 120.614 120.118 0.496 25542 2931 1 10 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.185 0.164 25542 2932 1 10 . 1 1 53 53 TRP C C 53 173.394 173.394 177.037 -3.643 25542 2933 1 10 . 1 1 53 53 TRP CA C 53 58.776 58.776 60.642 -1.866 25542 2934 1 10 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.593 -0.932 25542 2935 1 10 . 1 1 53 53 TRP H H 53 8.045 8.045 8.026 0.019 25542 2936 1 10 . 1 1 54 54 LYS N N 54 121.675 121.675 117.319 4.356 25542 2937 1 10 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.243 -0.064 25542 2938 1 10 . 1 1 54 54 LYS CA C 54 56.089 56.089 56.758 -0.669 25542 2939 1 10 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.074 -0.010 25542 2940 1 10 . 1 1 54 54 LYS H H 54 8.230 8.230 7.832 0.398 25542 2941 1 10 . 1 1 55 55 SER N N 55 114.683 114.683 114.295 0.388 25542 2942 1 10 . 1 1 55 55 SER HA H 55 4.163 4.163 4.214 -0.051 25542 2943 1 10 . 1 1 55 55 SER C C 55 177.387 177.387 174.490 2.897 25542 2944 1 10 . 1 1 55 55 SER CA C 55 59.440 59.440 58.583 0.857 25542 2945 1 10 . 1 1 55 55 SER CB C 55 63.319 63.319 63.541 -0.222 25542 2946 1 10 . 1 1 55 55 SER H H 55 7.920 7.920 8.070 -0.150 25542 2947 1 10 . 1 1 56 56 LYS N N 56 122.086 122.086 124.989 -2.903 25542 2948 1 10 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.240 -0.079 25542 2949 1 10 . 1 1 56 56 LYS C C 56 174.830 174.830 175.585 -0.755 25542 2950 1 10 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.238 0.831 25542 2951 1 10 . 1 1 56 56 LYS CB C 56 32.787 32.787 32.061 0.726 25542 2952 1 10 . 1 1 56 56 LYS H H 56 7.907 7.907 8.544 -0.637 25542 2953 1 10 . 1 1 57 57 ASN N N 57 118.385 118.385 116.620 1.765 25542 2954 1 10 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.788 -0.261 25542 2955 1 10 . 1 1 57 57 ASN C C 57 175.845 175.845 174.273 1.572 25542 2956 1 10 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.686 -0.338 25542 2957 1 10 . 1 1 57 57 ASN CB C 57 38.842 38.842 40.320 -1.478 25542 2958 1 10 . 1 1 57 57 ASN H H 57 8.019 8.019 7.549 0.470 25542 2959 1 10 . 1 1 58 58 LYS N N 58 121.675 121.675 124.479 -2.804 25542 2960 1 10 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.317 -0.122 25542 2961 1 10 . 1 1 58 58 LYS C C 58 175.343 175.343 175.737 -0.394 25542 2962 1 10 . 1 1 58 58 LYS CA C 58 56.489 56.489 55.570 0.919 25542 2963 1 10 . 1 1 58 58 LYS CB C 58 32.711 32.711 30.966 1.745 25542 2964 1 10 . 1 1 58 58 LYS H H 58 8.039 8.039 8.755 -0.716 25542 2965 1 10 . 1 1 59 59 LYS N N 59 123.434 123.434 122.188 1.246 25542 2966 1 10 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.172 0.053 25542 2967 1 10 . 1 1 59 59 LYS C C 59 172.827 172.827 176.126 -3.299 25542 2968 1 10 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.232 -0.019 25542 2969 1 10 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.259 0.654 25542 2970 1 10 . 1 1 59 59 LYS H H 59 8.348 8.348 7.691 0.657 25542 2971 1 11 . 1 1 10 10 THR N N 10 114.478 114.478 113.952 0.526 25542 2972 1 11 . 1 1 10 10 THR HA H 10 4.249 4.249 4.513 -0.264 25542 2973 1 11 . 1 1 10 10 THR C C 10 171.741 171.741 174.170 -2.429 25542 2974 1 11 . 1 1 10 10 THR CA C 10 62.036 62.036 62.306 -0.270 25542 2975 1 11 . 1 1 10 10 THR CB C 10 69.784 69.784 69.893 -0.109 25542 2976 1 11 . 1 1 10 10 THR H H 10 8.118 8.118 8.412 -0.294 25542 2977 1 11 . 1 1 11 11 LYS N N 11 124.759 124.759 119.816 4.943 25542 2978 1 11 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.524 -0.353 25542 2979 1 11 . 1 1 11 11 LYS C C 11 172.964 172.964 176.498 -3.534 25542 2980 1 11 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.331 -0.146 25542 2981 1 11 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.998 -1.179 25542 2982 1 11 . 1 1 11 11 LYS H H 11 8.442 8.442 8.375 0.067 25542 2983 1 11 . 1 1 12 12 LYS N N 12 123.320 123.320 120.415 2.905 25542 2984 1 11 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.071 0.045 25542 2985 1 11 . 1 1 12 12 LYS C C 12 173.147 173.147 177.097 -3.950 25542 2986 1 11 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.640 -2.332 25542 2987 1 11 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.143 0.062 25542 2988 1 11 . 1 1 12 12 LYS H H 12 8.239 8.239 7.784 0.455 25542 2989 1 11 . 1 1 13 13 TYR N N 13 119.413 119.413 117.131 2.282 25542 2990 1 11 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.602 -0.190 25542 2991 1 11 . 1 1 13 13 TYR C C 13 172.016 172.016 174.542 -2.526 25542 2992 1 11 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.966 -0.588 25542 2993 1 11 . 1 1 13 13 TYR CB C 13 39.946 39.946 41.200 -1.254 25542 2994 1 11 . 1 1 13 13 TYR H H 13 8.286 8.286 8.075 0.211 25542 2995 1 11 . 1 1 14 14 ASP N N 14 120.647 120.647 121.963 -1.316 25542 2996 1 11 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.880 -0.193 25542 2997 1 11 . 1 1 14 14 ASP C C 14 173.276 173.276 175.401 -2.125 25542 2998 1 11 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.557 -1.921 25542 2999 1 11 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.216 -2.011 25542 3000 1 11 . 1 1 14 14 ASP H H 14 8.611 8.611 8.540 0.071 25542 3001 1 11 . 1 1 15 15 LEU N N 15 126.198 126.198 126.141 0.057 25542 3002 1 11 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.709 -0.976 25542 3003 1 11 . 1 1 15 15 LEU C C 15 175.592 175.592 177.088 -1.496 25542 3004 1 11 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.967 -0.592 25542 3005 1 11 . 1 1 15 15 LEU CB C 15 39.946 39.946 40.955 -1.009 25542 3006 1 11 . 1 1 15 15 LEU H H 15 8.877 8.877 8.384 0.493 25542 3007 1 11 . 1 1 16 16 SER N N 16 116.464 116.464 118.018 -1.554 25542 3008 1 11 . 1 1 16 16 SER HA H 16 4.142 4.142 4.136 0.006 25542 3009 1 11 . 1 1 16 16 SER C C 16 173.247 173.247 174.260 -1.013 25542 3010 1 11 . 1 1 16 16 SER CA C 16 61.699 61.699 60.575 1.124 25542 3011 1 11 . 1 1 16 16 SER CB C 16 62.708 62.708 63.784 -1.076 25542 3012 1 11 . 1 1 16 16 SER H H 16 8.132 8.132 8.411 -0.279 25542 3013 1 11 . 1 1 17 17 LYS N N 17 118.179 118.179 119.535 -1.356 25542 3014 1 11 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.613 -0.112 25542 3015 1 11 . 1 1 17 17 LYS C C 17 175.079 175.079 175.626 -0.547 25542 3016 1 11 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.017 -0.823 25542 3017 1 11 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.721 -1.667 25542 3018 1 11 . 1 1 17 17 LYS H H 17 8.496 8.496 8.269 0.227 25542 3019 1 11 . 1 1 18 18 TRP N N 18 121.857 121.857 123.169 -1.312 25542 3020 1 11 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.965 -0.373 25542 3021 1 11 . 1 1 18 18 TRP C C 18 174.862 174.862 175.947 -1.085 25542 3022 1 11 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.129 3.056 25542 3023 1 11 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.140 -3.508 25542 3024 1 11 . 1 1 18 18 TRP H H 18 7.830 7.830 8.396 -0.566 25542 3025 1 11 . 1 1 19 19 LYS N N 19 123.014 123.014 119.376 3.638 25542 3026 1 11 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.697 -0.152 25542 3027 1 11 . 1 1 19 19 LYS C C 19 175.094 175.094 177.066 -1.972 25542 3028 1 11 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.072 1.197 25542 3029 1 11 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.783 -0.692 25542 3030 1 11 . 1 1 19 19 LYS H H 19 9.533 9.533 9.509 0.024 25542 3031 1 11 . 1 1 20 20 TYR N N 20 124.553 124.553 125.187 -0.634 25542 3032 1 11 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.050 -0.035 25542 3033 1 11 . 1 1 20 20 TYR C C 20 174.531 174.531 177.192 -2.661 25542 3034 1 11 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.987 0.150 25542 3035 1 11 . 1 1 20 20 TYR CB C 20 38.114 38.114 38.329 -0.215 25542 3036 1 11 . 1 1 20 20 TYR H H 20 9.400 9.400 9.108 0.292 25542 3037 1 11 . 1 1 21 21 ALA N N 21 117.974 117.974 121.898 -3.924 25542 3038 1 11 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.116 -0.299 25542 3039 1 11 . 1 1 21 21 ALA C C 21 176.314 176.314 179.012 -2.698 25542 3040 1 11 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.578 -0.226 25542 3041 1 11 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.460 1.147 25542 3042 1 11 . 1 1 21 21 ALA H H 21 8.991 8.991 8.521 0.470 25542 3043 1 11 . 1 1 22 22 GLU N N 22 115.300 115.300 119.223 -3.923 25542 3044 1 11 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.984 0.123 25542 3045 1 11 . 1 1 22 22 GLU C C 22 177.380 177.380 179.118 -1.738 25542 3046 1 11 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.837 -0.407 25542 3047 1 11 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.699 1.171 25542 3048 1 11 . 1 1 22 22 GLU H H 22 6.842 6.842 8.540 -1.698 25542 3049 1 11 . 1 1 23 23 LEU N N 23 122.086 122.086 122.109 -0.023 25542 3050 1 11 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.183 -0.017 25542 3051 1 11 . 1 1 23 23 LEU C C 23 174.830 174.830 179.114 -4.284 25542 3052 1 11 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.671 -0.028 25542 3053 1 11 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.017 1.094 25542 3054 1 11 . 1 1 23 23 LEU H H 23 7.906 7.906 8.559 -0.653 25542 3055 1 11 . 1 1 24 24 ARG N N 24 117.974 117.974 118.983 -1.009 25542 3056 1 11 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.726 -0.067 25542 3057 1 11 . 1 1 24 24 ARG C C 24 175.240 175.240 178.337 -3.097 25542 3058 1 11 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.850 -0.819 25542 3059 1 11 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.942 -0.108 25542 3060 1 11 . 1 1 24 24 ARG H H 24 8.220 8.220 7.947 0.273 25542 3061 1 11 . 1 1 25 25 ASP N N 25 118.179 118.179 118.187 -0.008 25542 3062 1 11 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.389 -0.003 25542 3063 1 11 . 1 1 25 25 ASP C C 25 176.554 176.554 178.447 -1.893 25542 3064 1 11 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.510 -0.223 25542 3065 1 11 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.754 -0.712 25542 3066 1 11 . 1 1 25 25 ASP H H 25 8.482 8.482 8.286 0.196 25542 3067 1 11 . 1 1 26 26 THR N N 26 118.385 118.385 116.434 1.951 25542 3068 1 11 . 1 1 26 26 THR HA H 26 3.900 3.900 4.080 -0.180 25542 3069 1 11 . 1 1 26 26 THR C C 26 173.365 173.365 176.931 -3.566 25542 3070 1 11 . 1 1 26 26 THR CA C 26 67.774 67.774 67.017 0.757 25542 3071 1 11 . 1 1 26 26 THR CB C 26 67.779 67.779 69.052 -1.273 25542 3072 1 11 . 1 1 26 26 THR H H 26 7.930 7.930 8.419 -0.489 25542 3073 1 11 . 1 1 27 27 ILE N N 27 122.497 122.497 119.324 3.173 25542 3074 1 11 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.869 -0.225 25542 3075 1 11 . 1 1 27 27 ILE C C 27 174.485 174.485 175.993 -1.508 25542 3076 1 11 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.409 1.209 25542 3077 1 11 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.982 -0.330 25542 3078 1 11 . 1 1 27 27 ILE H H 27 8.145 8.145 7.934 0.211 25542 3079 1 11 . 1 1 28 28 ASN N N 28 115.095 115.095 115.697 -0.602 25542 3080 1 11 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.727 -0.105 25542 3081 1 11 . 1 1 28 28 ASN C C 28 173.902 173.902 176.136 -2.234 25542 3082 1 11 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.184 0.245 25542 3083 1 11 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.530 -0.361 25542 3084 1 11 . 1 1 28 28 ASN H H 28 7.700 7.700 8.096 -0.396 25542 3085 1 11 . 1 1 29 29 THR N N 29 107.692 107.692 110.449 -2.757 25542 3086 1 11 . 1 1 29 29 THR HA H 29 4.606 4.606 4.562 0.044 25542 3087 1 11 . 1 1 29 29 THR C C 29 172.290 172.290 175.276 -2.986 25542 3088 1 11 . 1 1 29 29 THR CA C 29 62.629 62.629 62.411 0.218 25542 3089 1 11 . 1 1 29 29 THR CB C 29 72.232 72.232 69.838 2.394 25542 3090 1 11 . 1 1 29 29 THR H H 29 7.592 7.592 8.134 -0.542 25542 3091 1 11 . 1 1 30 30 SER N N 30 117.670 117.670 118.115 -0.445 25542 3092 1 11 . 1 1 30 30 SER HA H 30 4.298 4.298 4.638 -0.340 25542 3093 1 11 . 1 1 30 30 SER C C 30 172.473 172.473 172.835 -0.362 25542 3094 1 11 . 1 1 30 30 SER CA C 30 59.633 59.633 58.920 0.713 25542 3095 1 11 . 1 1 30 30 SER CB C 30 64.278 64.278 64.524 -0.246 25542 3096 1 11 . 1 1 30 30 SER H H 30 8.701 8.701 8.097 0.604 25542 3097 1 11 . 1 1 31 31 CYS N N 31 121.263 121.263 119.371 1.892 25542 3098 1 11 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.634 0.147 25542 3099 1 11 . 1 1 31 31 CYS C C 31 170.861 170.861 172.397 -1.536 25542 3100 1 11 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.264 -1.859 25542 3101 1 11 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.583 -0.280 25542 3102 1 11 . 1 1 31 31 CYS H H 31 8.719 8.719 8.392 0.327 25542 3103 1 11 . 1 1 32 32 ASP N N 32 124.542 124.542 127.084 -2.542 25542 3104 1 11 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.752 -0.130 25542 3105 1 11 . 1 1 32 32 ASP C C 32 172.541 172.541 176.669 -4.128 25542 3106 1 11 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.113 -0.959 25542 3107 1 11 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.997 -1.756 25542 3108 1 11 . 1 1 32 32 ASP H H 32 8.551 8.551 8.223 0.328 25542 3109 1 11 . 1 1 33 33 ILE N N 33 125.170 125.170 121.905 3.265 25542 3110 1 11 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.548 0.146 25542 3111 1 11 . 1 1 33 33 ILE C C 33 175.743 175.743 176.930 -1.187 25542 3112 1 11 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.172 0.563 25542 3113 1 11 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.767 0.048 25542 3114 1 11 . 1 1 33 33 ILE H H 33 8.464 8.464 8.603 -0.139 25542 3115 1 11 . 1 1 34 34 GLU N N 34 121.058 121.058 119.226 1.832 25542 3116 1 11 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.774 0.368 25542 3117 1 11 . 1 1 34 34 GLU C C 34 176.406 176.406 178.334 -1.928 25542 3118 1 11 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.592 0.519 25542 3119 1 11 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.676 1.046 25542 3120 1 11 . 1 1 34 34 GLU H H 34 8.186 8.186 7.798 0.388 25542 3121 1 11 . 1 1 35 35 LEU N N 35 124.965 124.965 121.266 3.699 25542 3122 1 11 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.953 -0.318 25542 3123 1 11 . 1 1 35 35 LEU C C 35 176.399 176.399 178.892 -2.493 25542 3124 1 11 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.448 -0.419 25542 3125 1 11 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.193 -0.211 25542 3126 1 11 . 1 1 35 35 LEU H H 35 7.849 7.849 7.919 -0.070 25542 3127 1 11 . 1 1 36 36 LEU N N 36 120.453 120.453 117.965 2.488 25542 3128 1 11 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.756 -0.077 25542 3129 1 11 . 1 1 36 36 LEU C C 36 176.280 176.280 178.821 -2.541 25542 3130 1 11 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.012 0.723 25542 3131 1 11 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.702 1.767 25542 3132 1 11 . 1 1 36 36 LEU H H 36 8.867 8.867 8.595 0.272 25542 3133 1 11 . 1 1 37 37 ALA N N 37 120.030 120.030 121.986 -1.956 25542 3134 1 11 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.727 0.281 25542 3135 1 11 . 1 1 37 37 ALA C C 37 177.606 177.606 178.990 -1.384 25542 3136 1 11 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.003 0.098 25542 3137 1 11 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.744 -0.103 25542 3138 1 11 . 1 1 37 37 ALA H H 37 7.624 7.624 7.856 -0.232 25542 3139 1 11 . 1 1 38 38 ALA N N 38 121.675 121.675 120.898 0.777 25542 3140 1 11 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.820 0.290 25542 3141 1 11 . 1 1 38 38 ALA C C 38 178.452 178.452 178.644 -0.192 25542 3142 1 11 . 1 1 38 38 ALA CA C 38 54.829 54.829 55.168 -0.339 25542 3143 1 11 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.030 -0.022 25542 3144 1 11 . 1 1 38 38 ALA H H 38 7.681 7.681 8.291 -0.610 25542 3145 1 11 . 1 1 39 39 CYS N N 39 119.413 119.413 117.696 1.717 25542 3146 1 11 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.844 -0.099 25542 3147 1 11 . 1 1 39 39 CYS C C 39 173.860 173.860 176.710 -2.850 25542 3148 1 11 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.506 0.313 25542 3149 1 11 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.428 -0.118 25542 3150 1 11 . 1 1 39 39 CYS H H 39 8.806 8.806 7.994 0.812 25542 3151 1 11 . 1 1 40 40 ARG N N 40 119.824 119.824 120.089 -0.265 25542 3152 1 11 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.777 0.142 25542 3153 1 11 . 1 1 40 40 ARG C C 40 176.108 176.108 178.126 -2.018 25542 3154 1 11 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.858 0.674 25542 3155 1 11 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.923 -0.077 25542 3156 1 11 . 1 1 40 40 ARG H H 40 8.382 8.382 8.470 -0.088 25542 3157 1 11 . 1 1 41 41 GLU N N 41 119.618 119.618 118.452 1.166 25542 3158 1 11 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.828 0.259 25542 3159 1 11 . 1 1 41 41 GLU C C 41 171.786 171.786 179.266 -7.480 25542 3160 1 11 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.440 -0.240 25542 3161 1 11 . 1 1 41 41 GLU CB C 41 29.277 29.277 28.985 0.292 25542 3162 1 11 . 1 1 41 41 GLU H H 41 7.949 7.949 8.063 -0.114 25542 3163 1 11 . 1 1 42 42 GLU N N 42 121.469 121.469 119.411 2.058 25542 3164 1 11 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.078 0.232 25542 3165 1 11 . 1 1 42 42 GLU C C 42 173.408 173.408 179.310 -5.902 25542 3166 1 11 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.171 -0.912 25542 3167 1 11 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.307 -1.165 25542 3168 1 11 . 1 1 42 42 GLU H H 42 7.980 7.980 8.186 -0.206 25542 3169 1 11 . 1 1 43 43 PHE N N 43 119.824 119.824 120.473 -0.649 25542 3170 1 11 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.127 -0.013 25542 3171 1 11 . 1 1 43 43 PHE C C 43 175.299 175.299 177.994 -2.695 25542 3172 1 11 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.547 -0.884 25542 3173 1 11 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.726 0.481 25542 3174 1 11 . 1 1 43 43 PHE H H 43 8.717 8.717 8.681 0.036 25542 3175 1 11 . 1 1 44 44 HIS N N 44 116.534 116.534 118.142 -1.608 25542 3176 1 11 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.231 0.050 25542 3177 1 11 . 1 1 44 44 HIS C C 44 174.771 174.771 178.001 -3.230 25542 3178 1 11 . 1 1 44 44 HIS CA C 44 59.537 59.537 59.789 -0.252 25542 3179 1 11 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.398 0.104 25542 3180 1 11 . 1 1 44 44 HIS H H 44 8.105 8.105 8.835 -0.730 25542 3181 1 11 . 1 1 45 45 ARG N N 45 120.875 120.875 119.783 1.092 25542 3182 1 11 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.042 -0.119 25542 3183 1 11 . 1 1 45 45 ARG C C 45 176.310 176.310 178.422 -2.112 25542 3184 1 11 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.324 0.442 25542 3185 1 11 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.292 -0.013 25542 3186 1 11 . 1 1 45 45 ARG H H 45 8.278 8.278 8.471 -0.193 25542 3187 1 11 . 1 1 46 46 ARG N N 46 116.740 116.740 120.391 -3.651 25542 3188 1 11 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.012 -0.053 25542 3189 1 11 . 1 1 46 46 ARG C C 46 176.046 176.046 178.824 -2.778 25542 3190 1 11 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.496 -0.662 25542 3191 1 11 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.886 -0.028 25542 3192 1 11 . 1 1 46 46 ARG H H 46 8.068 8.068 8.177 -0.109 25542 3193 1 11 . 1 1 47 47 LEU N N 47 120.441 120.441 119.525 0.916 25542 3194 1 11 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.048 -0.117 25542 3195 1 11 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.116 1.650 25542 3196 1 11 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.599 0.026 25542 3197 1 11 . 1 1 47 47 LEU H H 47 7.868 7.868 8.622 -0.754 25542 3198 1 11 . 1 1 48 48 LYS N N 48 119.413 119.413 120.637 -1.224 25542 3199 1 11 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.052 0.027 25542 3200 1 11 . 1 1 48 48 LYS C C 48 176.354 176.354 178.963 -2.609 25542 3201 1 11 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.038 -1.881 25542 3202 1 11 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.540 -0.476 25542 3203 1 11 . 1 1 48 48 LYS H H 48 7.784 7.784 7.993 -0.209 25542 3204 1 11 . 1 1 49 49 VAL N N 49 119.618 119.618 117.356 2.262 25542 3205 1 11 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.815 0.013 25542 3206 1 11 . 1 1 49 49 VAL C C 49 174.195 174.195 177.369 -3.174 25542 3207 1 11 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.438 -0.519 25542 3208 1 11 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.946 1.363 25542 3209 1 11 . 1 1 49 49 VAL H H 49 7.767 7.767 7.997 -0.230 25542 3210 1 11 . 1 1 50 50 TYR N N 50 122.497 122.497 120.906 1.591 25542 3211 1 11 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.529 0.635 25542 3212 1 11 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.022 -2.720 25542 3213 1 11 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.315 -0.029 25542 3214 1 11 . 1 1 50 50 TYR H H 50 8.142 8.142 8.306 -0.164 25542 3215 1 11 . 1 1 51 51 HIS N N 51 119.002 119.002 117.850 1.152 25542 3216 1 11 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.249 -0.029 25542 3217 1 11 . 1 1 51 51 HIS C C 51 174.214 174.214 176.963 -2.749 25542 3218 1 11 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.538 -1.111 25542 3219 1 11 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.387 -0.288 25542 3220 1 11 . 1 1 51 51 HIS H H 51 8.427 8.427 8.080 0.347 25542 3221 1 11 . 1 1 52 52 ALA N N 52 123.731 123.731 123.134 0.597 25542 3222 1 11 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.168 -0.027 25542 3223 1 11 . 1 1 52 52 ALA C C 52 176.134 176.134 179.970 -3.836 25542 3224 1 11 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.649 -0.551 25542 3225 1 11 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.085 0.110 25542 3226 1 11 . 1 1 52 52 ALA H H 52 8.072 8.072 7.959 0.113 25542 3227 1 11 . 1 1 53 53 TRP N N 53 120.614 120.614 118.087 2.527 25542 3228 1 11 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.277 0.072 25542 3229 1 11 . 1 1 53 53 TRP C C 53 173.394 173.394 178.634 -5.240 25542 3230 1 11 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.633 -0.857 25542 3231 1 11 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.207 0.454 25542 3232 1 11 . 1 1 53 53 TRP H H 53 8.045 8.045 8.401 -0.356 25542 3233 1 11 . 1 1 54 54 LYS N N 54 121.675 121.675 116.163 5.512 25542 3234 1 11 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.046 0.133 25542 3235 1 11 . 1 1 54 54 LYS CA C 54 56.089 56.089 56.161 -0.072 25542 3236 1 11 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.405 -0.341 25542 3237 1 11 . 1 1 54 54 LYS H H 54 8.230 8.230 7.422 0.808 25542 3238 1 11 . 1 1 55 55 SER N N 55 114.683 114.683 112.942 1.741 25542 3239 1 11 . 1 1 55 55 SER HA H 55 4.163 4.163 4.216 -0.053 25542 3240 1 11 . 1 1 55 55 SER C C 55 177.387 177.387 174.862 2.525 25542 3241 1 11 . 1 1 55 55 SER CA C 55 59.440 59.440 58.786 0.654 25542 3242 1 11 . 1 1 55 55 SER CB C 55 63.319 63.319 62.993 0.326 25542 3243 1 11 . 1 1 55 55 SER H H 55 7.920 7.920 7.800 0.120 25542 3244 1 11 . 1 1 56 56 LYS N N 56 122.086 122.086 123.692 -1.606 25542 3245 1 11 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.295 -0.134 25542 3246 1 11 . 1 1 56 56 LYS C C 56 174.830 174.830 176.553 -1.723 25542 3247 1 11 . 1 1 56 56 LYS CA C 56 57.069 57.069 57.672 -0.603 25542 3248 1 11 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.209 -0.422 25542 3249 1 11 . 1 1 56 56 LYS H H 56 7.907 7.907 8.755 -0.848 25542 3250 1 11 . 1 1 57 57 ASN N N 57 118.385 118.385 114.389 3.996 25542 3251 1 11 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.749 -0.222 25542 3252 1 11 . 1 1 57 57 ASN C C 57 175.845 175.845 173.502 2.343 25542 3253 1 11 . 1 1 57 57 ASN CA C 57 53.348 53.348 52.640 0.708 25542 3254 1 11 . 1 1 57 57 ASN CB C 57 38.842 38.842 39.560 -0.718 25542 3255 1 11 . 1 1 57 57 ASN H H 57 8.019 8.019 7.827 0.192 25542 3256 1 11 . 1 1 58 58 LYS N N 58 121.675 121.675 119.064 2.611 25542 3257 1 11 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.436 -0.241 25542 3258 1 11 . 1 1 58 58 LYS C C 58 175.343 175.343 175.774 -0.431 25542 3259 1 11 . 1 1 58 58 LYS CA C 58 56.489 56.489 55.826 0.663 25542 3260 1 11 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.697 0.014 25542 3261 1 11 . 1 1 58 58 LYS H H 58 8.039 8.039 8.448 -0.409 25542 3262 1 11 . 1 1 59 59 LYS N N 59 123.434 123.434 121.426 2.008 25542 3263 1 11 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.435 -0.210 25542 3264 1 11 . 1 1 59 59 LYS C C 59 172.827 172.827 176.768 -3.941 25542 3265 1 11 . 1 1 59 59 LYS CA C 59 56.213 56.213 55.855 0.358 25542 3266 1 11 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.543 0.370 25542 3267 1 11 . 1 1 59 59 LYS H H 59 8.348 8.348 8.159 0.189 25542 3268 1 12 . 1 1 10 10 THR N N 10 114.478 114.478 113.541 0.937 25542 3269 1 12 . 1 1 10 10 THR HA H 10 4.249 4.249 4.514 -0.265 25542 3270 1 12 . 1 1 10 10 THR C C 10 171.741 171.741 174.598 -2.857 25542 3271 1 12 . 1 1 10 10 THR CA C 10 62.036 62.036 61.700 0.335 25542 3272 1 12 . 1 1 10 10 THR CB C 10 69.784 69.784 69.862 -0.078 25542 3273 1 12 . 1 1 10 10 THR H H 10 8.118 8.118 8.040 0.078 25542 3274 1 12 . 1 1 11 11 LYS N N 11 124.759 124.759 123.008 1.751 25542 3275 1 12 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.609 -0.438 25542 3276 1 12 . 1 1 11 11 LYS C C 11 172.964 172.964 176.226 -3.262 25542 3277 1 12 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.923 0.262 25542 3278 1 12 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.585 0.234 25542 3279 1 12 . 1 1 11 11 LYS H H 11 8.442 8.442 8.595 -0.153 25542 3280 1 12 . 1 1 12 12 LYS N N 12 123.320 123.320 120.884 2.436 25542 3281 1 12 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.310 -0.194 25542 3282 1 12 . 1 1 12 12 LYS C C 12 173.147 173.147 176.355 -3.208 25542 3283 1 12 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.382 -1.073 25542 3284 1 12 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.035 0.170 25542 3285 1 12 . 1 1 12 12 LYS H H 12 8.239 8.239 8.472 -0.233 25542 3286 1 12 . 1 1 13 13 TYR N N 13 119.413 119.413 118.287 1.126 25542 3287 1 12 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.601 -0.189 25542 3288 1 12 . 1 1 13 13 TYR C C 13 172.016 172.016 174.339 -2.323 25542 3289 1 12 . 1 1 13 13 TYR CA C 13 57.378 57.378 56.868 0.509 25542 3290 1 12 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.874 -0.928 25542 3291 1 12 . 1 1 13 13 TYR H H 13 8.286 8.286 7.963 0.323 25542 3292 1 12 . 1 1 14 14 ASP N N 14 120.647 120.647 122.626 -1.979 25542 3293 1 12 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.810 -0.123 25542 3294 1 12 . 1 1 14 14 ASP C C 14 173.276 173.276 175.206 -1.930 25542 3295 1 12 . 1 1 14 14 ASP CA C 14 52.636 52.636 53.742 -1.105 25542 3296 1 12 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.364 -1.159 25542 3297 1 12 . 1 1 14 14 ASP H H 14 8.611 8.611 8.485 0.126 25542 3298 1 12 . 1 1 15 15 LEU N N 15 126.198 126.198 124.605 1.593 25542 3299 1 12 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.625 -0.892 25542 3300 1 12 . 1 1 15 15 LEU C C 15 175.592 175.592 177.260 -1.668 25542 3301 1 12 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.241 -0.866 25542 3302 1 12 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.724 -1.778 25542 3303 1 12 . 1 1 15 15 LEU H H 15 8.877 8.877 8.284 0.593 25542 3304 1 12 . 1 1 16 16 SER N N 16 116.464 116.464 117.478 -1.014 25542 3305 1 12 . 1 1 16 16 SER HA H 16 4.142 4.142 4.182 -0.040 25542 3306 1 12 . 1 1 16 16 SER C C 16 173.247 173.247 174.170 -0.923 25542 3307 1 12 . 1 1 16 16 SER CA C 16 61.699 61.699 60.626 1.073 25542 3308 1 12 . 1 1 16 16 SER CB C 16 62.708 62.708 63.471 -0.763 25542 3309 1 12 . 1 1 16 16 SER H H 16 8.132 8.132 8.186 -0.054 25542 3310 1 12 . 1 1 17 17 LYS N N 17 118.179 118.179 119.400 -1.221 25542 3311 1 12 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.556 -0.055 25542 3312 1 12 . 1 1 17 17 LYS C C 17 175.079 175.079 174.991 0.088 25542 3313 1 12 . 1 1 17 17 LYS CA C 17 55.194 55.194 55.974 -0.780 25542 3314 1 12 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.760 -1.707 25542 3315 1 12 . 1 1 17 17 LYS H H 17 8.496 8.496 8.150 0.346 25542 3316 1 12 . 1 1 18 18 TRP N N 18 121.857 121.857 122.591 -0.734 25542 3317 1 12 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.052 -0.460 25542 3318 1 12 . 1 1 18 18 TRP C C 18 174.862 174.862 176.013 -1.151 25542 3319 1 12 . 1 1 18 18 TRP CA C 18 58.185 58.185 54.933 3.252 25542 3320 1 12 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.196 -3.564 25542 3321 1 12 . 1 1 18 18 TRP H H 18 7.830 7.830 8.491 -0.661 25542 3322 1 12 . 1 1 19 19 LYS N N 19 123.014 123.014 121.001 2.013 25542 3323 1 12 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.492 0.053 25542 3324 1 12 . 1 1 19 19 LYS C C 19 175.094 175.094 177.306 -2.212 25542 3325 1 12 . 1 1 19 19 LYS CA C 19 55.269 55.269 55.270 -0.001 25542 3326 1 12 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.303 -0.212 25542 3327 1 12 . 1 1 19 19 LYS H H 19 9.533 9.533 8.427 1.106 25542 3328 1 12 . 1 1 20 20 TYR N N 20 124.553 124.553 120.743 3.810 25542 3329 1 12 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.182 -0.167 25542 3330 1 12 . 1 1 20 20 TYR C C 20 174.531 174.531 177.352 -2.821 25542 3331 1 12 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.195 1.942 25542 3332 1 12 . 1 1 20 20 TYR CB C 20 38.114 38.114 37.006 1.108 25542 3333 1 12 . 1 1 20 20 TYR H H 20 9.400 9.400 8.376 1.024 25542 3334 1 12 . 1 1 21 21 ALA N N 21 117.974 117.974 123.200 -5.226 25542 3335 1 12 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.107 -0.290 25542 3336 1 12 . 1 1 21 21 ALA C C 21 176.314 176.314 179.281 -2.967 25542 3337 1 12 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.397 -0.045 25542 3338 1 12 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.278 1.329 25542 3339 1 12 . 1 1 21 21 ALA H H 21 8.991 8.991 7.417 1.574 25542 3340 1 12 . 1 1 22 22 GLU N N 22 115.300 115.300 118.889 -3.589 25542 3341 1 12 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.970 0.137 25542 3342 1 12 . 1 1 22 22 GLU C C 22 177.380 177.380 179.088 -1.708 25542 3343 1 12 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.818 -0.388 25542 3344 1 12 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.695 1.175 25542 3345 1 12 . 1 1 22 22 GLU H H 22 6.842 6.842 8.402 -1.560 25542 3346 1 12 . 1 1 23 23 LEU N N 23 122.086 122.086 122.289 -0.203 25542 3347 1 12 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.212 -0.046 25542 3348 1 12 . 1 1 23 23 LEU C C 23 174.830 174.830 179.354 -4.524 25542 3349 1 12 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.805 -0.162 25542 3350 1 12 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.135 0.976 25542 3351 1 12 . 1 1 23 23 LEU H H 23 7.906 7.906 8.363 -0.457 25542 3352 1 12 . 1 1 24 24 ARG N N 24 117.974 117.974 118.983 -1.009 25542 3353 1 12 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.909 -0.250 25542 3354 1 12 . 1 1 24 24 ARG C C 24 175.240 175.240 178.331 -3.091 25542 3355 1 12 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.939 -0.908 25542 3356 1 12 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.165 -0.331 25542 3357 1 12 . 1 1 24 24 ARG H H 24 8.220 8.220 8.230 -0.010 25542 3358 1 12 . 1 1 25 25 ASP N N 25 118.179 118.179 118.743 -0.564 25542 3359 1 12 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.404 -0.018 25542 3360 1 12 . 1 1 25 25 ASP C C 25 176.554 176.554 178.421 -1.867 25542 3361 1 12 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.766 -0.479 25542 3362 1 12 . 1 1 25 25 ASP CB C 25 40.042 40.042 41.010 -0.968 25542 3363 1 12 . 1 1 25 25 ASP H H 25 8.482 8.482 8.302 0.180 25542 3364 1 12 . 1 1 26 26 THR N N 26 118.385 118.385 116.439 1.946 25542 3365 1 12 . 1 1 26 26 THR HA H 26 3.900 3.900 4.115 -0.215 25542 3366 1 12 . 1 1 26 26 THR C C 26 173.365 173.365 176.980 -3.615 25542 3367 1 12 . 1 1 26 26 THR CA C 26 67.774 67.774 66.821 0.953 25542 3368 1 12 . 1 1 26 26 THR CB C 26 67.779 67.779 68.978 -1.199 25542 3369 1 12 . 1 1 26 26 THR H H 26 7.930 7.930 8.650 -0.720 25542 3370 1 12 . 1 1 27 27 ILE N N 27 122.497 122.497 119.268 3.229 25542 3371 1 12 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.888 -0.243 25542 3372 1 12 . 1 1 27 27 ILE C C 27 174.485 174.485 175.991 -1.506 25542 3373 1 12 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.343 1.275 25542 3374 1 12 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.997 -0.345 25542 3375 1 12 . 1 1 27 27 ILE H H 27 8.145 8.145 7.937 0.208 25542 3376 1 12 . 1 1 28 28 ASN N N 28 115.095 115.095 115.488 -0.393 25542 3377 1 12 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.742 -0.120 25542 3378 1 12 . 1 1 28 28 ASN C C 28 173.902 173.902 176.113 -2.211 25542 3379 1 12 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.058 0.371 25542 3380 1 12 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.760 -0.591 25542 3381 1 12 . 1 1 28 28 ASN H H 28 7.700 7.700 8.086 -0.386 25542 3382 1 12 . 1 1 29 29 THR N N 29 107.692 107.692 110.191 -2.499 25542 3383 1 12 . 1 1 29 29 THR HA H 29 4.606 4.606 4.524 0.082 25542 3384 1 12 . 1 1 29 29 THR C C 29 172.290 172.290 175.371 -3.081 25542 3385 1 12 . 1 1 29 29 THR CA C 29 62.629 62.629 62.401 0.228 25542 3386 1 12 . 1 1 29 29 THR CB C 29 72.232 72.232 70.222 2.010 25542 3387 1 12 . 1 1 29 29 THR H H 29 7.592 7.592 8.234 -0.642 25542 3388 1 12 . 1 1 30 30 SER N N 30 117.670 117.670 118.361 -0.691 25542 3389 1 12 . 1 1 30 30 SER HA H 30 4.298 4.298 4.650 -0.352 25542 3390 1 12 . 1 1 30 30 SER C C 30 172.473 172.473 172.841 -0.368 25542 3391 1 12 . 1 1 30 30 SER CA C 30 59.633 59.633 58.571 1.062 25542 3392 1 12 . 1 1 30 30 SER CB C 30 64.278 64.278 64.417 -0.139 25542 3393 1 12 . 1 1 30 30 SER H H 30 8.701 8.701 8.084 0.617 25542 3394 1 12 . 1 1 31 31 CYS N N 31 121.263 121.263 119.610 1.653 25542 3395 1 12 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.686 0.095 25542 3396 1 12 . 1 1 31 31 CYS C C 31 170.861 170.861 172.507 -1.646 25542 3397 1 12 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.283 -1.878 25542 3398 1 12 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.963 -0.660 25542 3399 1 12 . 1 1 31 31 CYS H H 31 8.719 8.719 8.386 0.333 25542 3400 1 12 . 1 1 32 32 ASP N N 32 124.542 124.542 127.193 -2.651 25542 3401 1 12 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.763 -0.141 25542 3402 1 12 . 1 1 32 32 ASP C C 32 172.541 172.541 176.617 -4.076 25542 3403 1 12 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.030 -0.876 25542 3404 1 12 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.827 -1.586 25542 3405 1 12 . 1 1 32 32 ASP H H 32 8.551 8.551 8.224 0.327 25542 3406 1 12 . 1 1 33 33 ILE N N 33 125.170 125.170 121.612 3.558 25542 3407 1 12 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.562 0.132 25542 3408 1 12 . 1 1 33 33 ILE C C 33 175.743 175.743 176.870 -1.127 25542 3409 1 12 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.291 0.445 25542 3410 1 12 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.794 0.021 25542 3411 1 12 . 1 1 33 33 ILE H H 33 8.464 8.464 8.581 -0.117 25542 3412 1 12 . 1 1 34 34 GLU N N 34 121.058 121.058 119.199 1.859 25542 3413 1 12 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.790 0.352 25542 3414 1 12 . 1 1 34 34 GLU C C 34 176.406 176.406 178.095 -1.689 25542 3415 1 12 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.542 0.569 25542 3416 1 12 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.760 0.962 25542 3417 1 12 . 1 1 34 34 GLU H H 34 8.186 8.186 7.789 0.397 25542 3418 1 12 . 1 1 35 35 LEU N N 35 124.965 124.965 121.144 3.821 25542 3419 1 12 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.816 -0.181 25542 3420 1 12 . 1 1 35 35 LEU C C 35 176.399 176.399 178.832 -2.433 25542 3421 1 12 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.325 -0.297 25542 3422 1 12 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.148 -0.166 25542 3423 1 12 . 1 1 35 35 LEU H H 35 7.849 7.849 7.829 0.020 25542 3424 1 12 . 1 1 36 36 LEU N N 36 120.453 120.453 117.818 2.635 25542 3425 1 12 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.756 -0.077 25542 3426 1 12 . 1 1 36 36 LEU C C 36 176.280 176.280 178.842 -2.562 25542 3427 1 12 . 1 1 36 36 LEU CA C 36 58.735 58.735 57.974 0.761 25542 3428 1 12 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.683 1.786 25542 3429 1 12 . 1 1 36 36 LEU H H 36 8.867 8.867 8.655 0.212 25542 3430 1 12 . 1 1 37 37 ALA N N 37 120.030 120.030 122.094 -2.064 25542 3431 1 12 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.774 0.234 25542 3432 1 12 . 1 1 37 37 ALA C C 37 177.606 177.606 179.025 -1.419 25542 3433 1 12 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.027 0.074 25542 3434 1 12 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.777 -0.136 25542 3435 1 12 . 1 1 37 37 ALA H H 37 7.624 7.624 7.853 -0.229 25542 3436 1 12 . 1 1 38 38 ALA N N 38 121.675 121.675 120.612 1.063 25542 3437 1 12 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.920 0.190 25542 3438 1 12 . 1 1 38 38 ALA C C 38 178.452 178.452 179.009 -0.557 25542 3439 1 12 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.885 -0.056 25542 3440 1 12 . 1 1 38 38 ALA CB C 38 18.008 18.008 17.883 0.125 25542 3441 1 12 . 1 1 38 38 ALA H H 38 7.681 7.681 8.303 -0.622 25542 3442 1 12 . 1 1 39 39 CYS N N 39 119.413 119.413 117.692 1.721 25542 3443 1 12 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.852 -0.107 25542 3444 1 12 . 1 1 39 39 CYS C C 39 173.860 173.860 176.707 -2.847 25542 3445 1 12 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.379 0.440 25542 3446 1 12 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.355 -0.045 25542 3447 1 12 . 1 1 39 39 CYS H H 39 8.806 8.806 8.042 0.764 25542 3448 1 12 . 1 1 40 40 ARG N N 40 119.824 119.824 120.235 -0.411 25542 3449 1 12 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.858 0.061 25542 3450 1 12 . 1 1 40 40 ARG C C 40 176.108 176.108 178.241 -2.133 25542 3451 1 12 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.914 0.618 25542 3452 1 12 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.053 -0.207 25542 3453 1 12 . 1 1 40 40 ARG H H 40 8.382 8.382 8.555 -0.173 25542 3454 1 12 . 1 1 41 41 GLU N N 41 119.618 119.618 118.642 0.976 25542 3455 1 12 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.007 0.080 25542 3456 1 12 . 1 1 41 41 GLU C C 41 171.786 171.786 179.294 -7.508 25542 3457 1 12 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.566 -0.366 25542 3458 1 12 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.023 0.254 25542 3459 1 12 . 1 1 41 41 GLU H H 41 7.949 7.949 8.211 -0.262 25542 3460 1 12 . 1 1 42 42 GLU N N 42 121.469 121.469 119.761 1.708 25542 3461 1 12 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.147 0.163 25542 3462 1 12 . 1 1 42 42 GLU C C 42 173.408 173.408 179.202 -5.794 25542 3463 1 12 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.222 -0.963 25542 3464 1 12 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.403 -1.261 25542 3465 1 12 . 1 1 42 42 GLU H H 42 7.980 7.980 8.099 -0.119 25542 3466 1 12 . 1 1 43 43 PHE N N 43 119.824 119.824 120.272 -0.448 25542 3467 1 12 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.111 0.003 25542 3468 1 12 . 1 1 43 43 PHE C C 43 175.299 175.299 177.836 -2.537 25542 3469 1 12 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.782 -0.119 25542 3470 1 12 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.540 0.667 25542 3471 1 12 . 1 1 43 43 PHE H H 43 8.717 8.717 8.777 -0.060 25542 3472 1 12 . 1 1 44 44 HIS N N 44 116.534 116.534 118.680 -2.146 25542 3473 1 12 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.248 0.033 25542 3474 1 12 . 1 1 44 44 HIS C C 44 174.771 174.771 177.927 -3.156 25542 3475 1 12 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.344 -0.807 25542 3476 1 12 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.061 -0.558 25542 3477 1 12 . 1 1 44 44 HIS H H 44 8.105 8.105 8.740 -0.635 25542 3478 1 12 . 1 1 45 45 ARG N N 45 120.875 120.875 119.626 1.249 25542 3479 1 12 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.068 -0.145 25542 3480 1 12 . 1 1 45 45 ARG C C 45 176.310 176.310 178.564 -2.254 25542 3481 1 12 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.809 -0.043 25542 3482 1 12 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.400 -0.121 25542 3483 1 12 . 1 1 45 45 ARG H H 45 8.278 8.278 8.377 -0.099 25542 3484 1 12 . 1 1 46 46 ARG N N 46 116.740 116.740 119.895 -3.155 25542 3485 1 12 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.071 -0.112 25542 3486 1 12 . 1 1 46 46 ARG C C 46 176.046 176.046 179.054 -3.008 25542 3487 1 12 . 1 1 46 46 ARG CA C 46 58.834 58.834 58.807 0.027 25542 3488 1 12 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.444 0.414 25542 3489 1 12 . 1 1 46 46 ARG H H 46 8.068 8.068 8.565 -0.497 25542 3490 1 12 . 1 1 47 47 LEU N N 47 120.441 120.441 119.505 0.936 25542 3491 1 12 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.070 -0.139 25542 3492 1 12 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.231 1.535 25542 3493 1 12 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.578 0.047 25542 3494 1 12 . 1 1 47 47 LEU H H 47 7.868 7.868 8.416 -0.548 25542 3495 1 12 . 1 1 48 48 LYS N N 48 119.413 119.413 120.902 -1.489 25542 3496 1 12 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.129 -0.050 25542 3497 1 12 . 1 1 48 48 LYS C C 48 176.354 176.354 179.176 -2.822 25542 3498 1 12 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.077 -1.920 25542 3499 1 12 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.655 -0.591 25542 3500 1 12 . 1 1 48 48 LYS H H 48 7.784 7.784 8.146 -0.362 25542 3501 1 12 . 1 1 49 49 VAL N N 49 119.618 119.618 117.275 2.343 25542 3502 1 12 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.832 -0.004 25542 3503 1 12 . 1 1 49 49 VAL C C 49 174.195 174.195 177.767 -3.572 25542 3504 1 12 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.892 -0.973 25542 3505 1 12 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.535 1.774 25542 3506 1 12 . 1 1 49 49 VAL H H 49 7.767 7.767 8.209 -0.442 25542 3507 1 12 . 1 1 50 50 TYR N N 50 122.497 122.497 122.806 -0.309 25542 3508 1 12 . 1 1 50 50 TYR HA H 50 4.164 4.164 3.979 0.185 25542 3509 1 12 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.300 -2.998 25542 3510 1 12 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.310 -0.025 25542 3511 1 12 . 1 1 50 50 TYR H H 50 8.142 8.142 8.255 -0.113 25542 3512 1 12 . 1 1 51 51 HIS N N 51 119.002 119.002 116.545 2.457 25542 3513 1 12 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.173 0.047 25542 3514 1 12 . 1 1 51 51 HIS C C 51 174.214 174.214 177.975 -3.761 25542 3515 1 12 . 1 1 51 51 HIS CA C 51 57.428 57.428 59.956 -2.528 25542 3516 1 12 . 1 1 51 51 HIS CB C 51 30.099 30.099 29.973 0.126 25542 3517 1 12 . 1 1 51 51 HIS H H 51 8.427 8.427 8.526 -0.099 25542 3518 1 12 . 1 1 52 52 ALA N N 52 123.731 123.731 123.335 0.396 25542 3519 1 12 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.107 0.034 25542 3520 1 12 . 1 1 52 52 ALA C C 52 176.134 176.134 178.455 -2.321 25542 3521 1 12 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.643 -0.545 25542 3522 1 12 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.260 -0.065 25542 3523 1 12 . 1 1 52 52 ALA H H 52 8.072 8.072 8.123 -0.051 25542 3524 1 12 . 1 1 53 53 TRP N N 53 120.614 120.614 117.910 2.704 25542 3525 1 12 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.300 0.049 25542 3526 1 12 . 1 1 53 53 TRP C C 53 173.394 173.394 176.354 -2.960 25542 3527 1 12 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.587 -0.811 25542 3528 1 12 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.725 -1.064 25542 3529 1 12 . 1 1 53 53 TRP H H 53 8.045 8.045 7.977 0.068 25542 3530 1 12 . 1 1 54 54 LYS N N 54 121.675 121.675 117.988 3.687 25542 3531 1 12 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.411 -0.232 25542 3532 1 12 . 1 1 54 54 LYS CA C 54 56.089 56.089 55.252 0.837 25542 3533 1 12 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.353 -0.289 25542 3534 1 12 . 1 1 54 54 LYS H H 54 8.230 8.230 7.352 0.878 25542 3535 1 12 . 1 1 55 55 SER N N 55 114.683 114.683 118.564 -3.881 25542 3536 1 12 . 1 1 55 55 SER HA H 55 4.163 4.163 4.392 -0.229 25542 3537 1 12 . 1 1 55 55 SER C C 55 177.387 177.387 174.740 2.647 25542 3538 1 12 . 1 1 55 55 SER CA C 55 59.440 59.440 59.007 0.433 25542 3539 1 12 . 1 1 55 55 SER CB C 55 63.319 63.319 63.987 -0.668 25542 3540 1 12 . 1 1 55 55 SER H H 55 7.920 7.920 8.310 -0.390 25542 3541 1 12 . 1 1 56 56 LYS N N 56 122.086 122.086 120.399 1.687 25542 3542 1 12 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.607 -0.446 25542 3543 1 12 . 1 1 56 56 LYS C C 56 174.830 174.830 175.287 -0.457 25542 3544 1 12 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.060 1.009 25542 3545 1 12 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.027 -0.240 25542 3546 1 12 . 1 1 56 56 LYS H H 56 7.907 7.907 8.246 -0.339 25542 3547 1 12 . 1 1 57 57 ASN N N 57 118.385 118.385 120.113 -1.728 25542 3548 1 12 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.502 0.025 25542 3549 1 12 . 1 1 57 57 ASN C C 57 175.845 175.845 175.822 0.023 25542 3550 1 12 . 1 1 57 57 ASN CA C 57 53.348 53.348 54.486 -1.138 25542 3551 1 12 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.633 0.208 25542 3552 1 12 . 1 1 57 57 ASN H H 57 8.019 8.019 8.316 -0.297 25542 3553 1 12 . 1 1 58 58 LYS N N 58 121.675 121.675 120.661 1.014 25542 3554 1 12 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.247 -0.052 25542 3555 1 12 . 1 1 58 58 LYS C C 58 175.343 175.343 176.308 -0.965 25542 3556 1 12 . 1 1 58 58 LYS CA C 58 56.489 56.489 55.995 0.493 25542 3557 1 12 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.904 -0.193 25542 3558 1 12 . 1 1 58 58 LYS H H 58 8.039 8.039 7.920 0.119 25542 3559 1 12 . 1 1 59 59 LYS N N 59 123.434 123.434 121.204 2.230 25542 3560 1 12 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.184 0.041 25542 3561 1 12 . 1 1 59 59 LYS C C 59 172.827 172.827 175.711 -2.884 25542 3562 1 12 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.691 -0.478 25542 3563 1 12 . 1 1 59 59 LYS CB C 59 32.913 32.913 31.716 1.197 25542 3564 1 12 . 1 1 59 59 LYS H H 59 8.348 8.348 8.217 0.131 25542 3565 1 13 . 1 1 10 10 THR N N 10 114.478 114.478 114.870 -0.392 25542 3566 1 13 . 1 1 10 10 THR HA H 10 4.249 4.249 4.276 -0.027 25542 3567 1 13 . 1 1 10 10 THR C C 10 171.741 171.741 174.277 -2.536 25542 3568 1 13 . 1 1 10 10 THR CA C 10 62.036 62.036 62.484 -0.448 25542 3569 1 13 . 1 1 10 10 THR CB C 10 69.784 69.784 69.489 0.295 25542 3570 1 13 . 1 1 10 10 THR H H 10 8.118 8.118 7.941 0.177 25542 3571 1 13 . 1 1 11 11 LYS N N 11 124.759 124.759 122.969 1.790 25542 3572 1 13 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.480 -0.309 25542 3573 1 13 . 1 1 11 11 LYS C C 11 172.964 172.964 176.312 -3.348 25542 3574 1 13 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.795 0.390 25542 3575 1 13 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.265 -0.446 25542 3576 1 13 . 1 1 11 11 LYS H H 11 8.442 8.442 8.436 0.006 25542 3577 1 13 . 1 1 12 12 LYS N N 12 123.320 123.320 121.567 1.753 25542 3578 1 13 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.065 0.051 25542 3579 1 13 . 1 1 12 12 LYS C C 12 173.147 173.147 177.128 -3.981 25542 3580 1 13 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.182 -1.874 25542 3581 1 13 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.678 0.527 25542 3582 1 13 . 1 1 12 12 LYS H H 12 8.239 8.239 8.574 -0.335 25542 3583 1 13 . 1 1 13 13 TYR N N 13 119.413 119.413 117.704 1.709 25542 3584 1 13 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.533 -0.121 25542 3585 1 13 . 1 1 13 13 TYR C C 13 172.016 172.016 174.277 -2.261 25542 3586 1 13 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.536 -0.159 25542 3587 1 13 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.908 -0.962 25542 3588 1 13 . 1 1 13 13 TYR H H 13 8.286 8.286 7.915 0.371 25542 3589 1 13 . 1 1 14 14 ASP N N 14 120.647 120.647 122.980 -2.333 25542 3590 1 13 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.848 -0.161 25542 3591 1 13 . 1 1 14 14 ASP C C 14 173.276 173.276 175.147 -1.871 25542 3592 1 13 . 1 1 14 14 ASP CA C 14 52.636 52.636 53.747 -1.111 25542 3593 1 13 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.775 -1.570 25542 3594 1 13 . 1 1 14 14 ASP H H 14 8.611 8.611 8.567 0.044 25542 3595 1 13 . 1 1 15 15 LEU N N 15 126.198 126.198 125.687 0.511 25542 3596 1 13 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.724 -0.991 25542 3597 1 13 . 1 1 15 15 LEU C C 15 175.592 175.592 177.477 -1.885 25542 3598 1 13 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.945 -0.570 25542 3599 1 13 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.226 -1.280 25542 3600 1 13 . 1 1 15 15 LEU H H 15 8.877 8.877 8.486 0.391 25542 3601 1 13 . 1 1 16 16 SER N N 16 116.464 116.464 117.735 -1.271 25542 3602 1 13 . 1 1 16 16 SER HA H 16 4.142 4.142 4.166 -0.024 25542 3603 1 13 . 1 1 16 16 SER C C 16 173.247 173.247 174.402 -1.155 25542 3604 1 13 . 1 1 16 16 SER CA C 16 61.699 61.699 60.314 1.385 25542 3605 1 13 . 1 1 16 16 SER CB C 16 62.708 62.708 63.596 -0.888 25542 3606 1 13 . 1 1 16 16 SER H H 16 8.132 8.132 8.576 -0.444 25542 3607 1 13 . 1 1 17 17 LYS N N 17 118.179 118.179 119.975 -1.796 25542 3608 1 13 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.558 -0.057 25542 3609 1 13 . 1 1 17 17 LYS C C 17 175.079 175.079 175.313 -0.234 25542 3610 1 13 . 1 1 17 17 LYS CA C 17 55.194 55.194 55.886 -0.693 25542 3611 1 13 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.858 -1.805 25542 3612 1 13 . 1 1 17 17 LYS H H 17 8.496 8.496 8.214 0.282 25542 3613 1 13 . 1 1 18 18 TRP N N 18 121.857 121.857 124.802 -2.945 25542 3614 1 13 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.873 -0.281 25542 3615 1 13 . 1 1 18 18 TRP C C 18 174.862 174.862 174.798 0.064 25542 3616 1 13 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.836 2.349 25542 3617 1 13 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.249 -3.617 25542 3618 1 13 . 1 1 18 18 TRP H H 18 7.830 7.830 8.200 -0.370 25542 3619 1 13 . 1 1 19 19 LYS N N 19 123.014 123.014 120.069 2.945 25542 3620 1 13 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.507 0.038 25542 3621 1 13 . 1 1 19 19 LYS C C 19 175.094 175.094 177.895 -2.801 25542 3622 1 13 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.200 1.069 25542 3623 1 13 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.472 -0.382 25542 3624 1 13 . 1 1 19 19 LYS H H 19 9.533 9.533 8.589 0.944 25542 3625 1 13 . 1 1 20 20 TYR N N 20 124.553 124.553 119.699 4.854 25542 3626 1 13 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.236 -0.221 25542 3627 1 13 . 1 1 20 20 TYR C C 20 174.531 174.531 177.390 -2.859 25542 3628 1 13 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.180 1.957 25542 3629 1 13 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.937 1.177 25542 3630 1 13 . 1 1 20 20 TYR H H 20 9.400 9.400 8.363 1.037 25542 3631 1 13 . 1 1 21 21 ALA N N 21 117.974 117.974 123.333 -5.359 25542 3632 1 13 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.098 -0.281 25542 3633 1 13 . 1 1 21 21 ALA C C 21 176.314 176.314 179.249 -2.935 25542 3634 1 13 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.339 0.013 25542 3635 1 13 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.330 1.277 25542 3636 1 13 . 1 1 21 21 ALA H H 21 8.991 8.991 7.561 1.430 25542 3637 1 13 . 1 1 22 22 GLU N N 22 115.300 115.300 118.919 -3.619 25542 3638 1 13 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.975 0.132 25542 3639 1 13 . 1 1 22 22 GLU C C 22 177.380 177.380 179.094 -1.714 25542 3640 1 13 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.820 -0.390 25542 3641 1 13 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.697 1.173 25542 3642 1 13 . 1 1 22 22 GLU H H 22 6.842 6.842 8.434 -1.592 25542 3643 1 13 . 1 1 23 23 LEU N N 23 122.086 122.086 122.147 -0.061 25542 3644 1 13 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.258 -0.092 25542 3645 1 13 . 1 1 23 23 LEU C C 23 174.830 174.830 179.348 -4.518 25542 3646 1 13 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.778 -0.135 25542 3647 1 13 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.187 0.924 25542 3648 1 13 . 1 1 23 23 LEU H H 23 7.906 7.906 8.369 -0.463 25542 3649 1 13 . 1 1 24 24 ARG N N 24 117.974 117.974 119.013 -1.039 25542 3650 1 13 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.930 -0.271 25542 3651 1 13 . 1 1 24 24 ARG C C 24 175.240 175.240 178.222 -2.982 25542 3652 1 13 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.480 -0.449 25542 3653 1 13 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.906 -0.072 25542 3654 1 13 . 1 1 24 24 ARG H H 24 8.220 8.220 8.259 -0.039 25542 3655 1 13 . 1 1 25 25 ASP N N 25 118.179 118.179 117.853 0.326 25542 3656 1 13 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.386 -0.000 25542 3657 1 13 . 1 1 25 25 ASP C C 25 176.554 176.554 178.685 -2.131 25542 3658 1 13 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.594 -0.307 25542 3659 1 13 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.803 -0.761 25542 3660 1 13 . 1 1 25 25 ASP H H 25 8.482 8.482 8.356 0.126 25542 3661 1 13 . 1 1 26 26 THR N N 26 118.385 118.385 116.130 2.255 25542 3662 1 13 . 1 1 26 26 THR HA H 26 3.900 3.900 4.072 -0.172 25542 3663 1 13 . 1 1 26 26 THR C C 26 173.365 173.365 177.081 -3.716 25542 3664 1 13 . 1 1 26 26 THR CA C 26 67.774 67.774 66.840 0.935 25542 3665 1 13 . 1 1 26 26 THR CB C 26 67.779 67.779 68.874 -1.095 25542 3666 1 13 . 1 1 26 26 THR H H 26 7.930 7.930 8.491 -0.561 25542 3667 1 13 . 1 1 27 27 ILE N N 27 122.497 122.497 119.909 2.588 25542 3668 1 13 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.893 -0.248 25542 3669 1 13 . 1 1 27 27 ILE C C 27 174.485 174.485 176.058 -1.573 25542 3670 1 13 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.474 1.144 25542 3671 1 13 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.005 -0.353 25542 3672 1 13 . 1 1 27 27 ILE H H 27 8.145 8.145 8.044 0.101 25542 3673 1 13 . 1 1 28 28 ASN N N 28 115.095 115.095 115.516 -0.421 25542 3674 1 13 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.738 -0.116 25542 3675 1 13 . 1 1 28 28 ASN C C 28 173.902 173.902 176.080 -2.178 25542 3676 1 13 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.044 0.385 25542 3677 1 13 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.757 -0.588 25542 3678 1 13 . 1 1 28 28 ASN H H 28 7.700 7.700 8.074 -0.374 25542 3679 1 13 . 1 1 29 29 THR N N 29 107.692 107.692 109.853 -2.161 25542 3680 1 13 . 1 1 29 29 THR HA H 29 4.606 4.606 4.544 0.062 25542 3681 1 13 . 1 1 29 29 THR C C 29 172.290 172.290 175.323 -3.033 25542 3682 1 13 . 1 1 29 29 THR CA C 29 62.629 62.629 62.293 0.336 25542 3683 1 13 . 1 1 29 29 THR CB C 29 72.232 72.232 70.287 1.945 25542 3684 1 13 . 1 1 29 29 THR H H 29 7.592 7.592 8.215 -0.623 25542 3685 1 13 . 1 1 30 30 SER N N 30 117.670 117.670 118.591 -0.921 25542 3686 1 13 . 1 1 30 30 SER HA H 30 4.298 4.298 4.638 -0.340 25542 3687 1 13 . 1 1 30 30 SER C C 30 172.473 172.473 172.996 -0.523 25542 3688 1 13 . 1 1 30 30 SER CA C 30 59.633 59.633 59.128 0.505 25542 3689 1 13 . 1 1 30 30 SER CB C 30 64.278 64.278 64.747 -0.469 25542 3690 1 13 . 1 1 30 30 SER H H 30 8.701 8.701 8.136 0.565 25542 3691 1 13 . 1 1 31 31 CYS N N 31 121.263 121.263 119.638 1.625 25542 3692 1 13 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.633 0.148 25542 3693 1 13 . 1 1 31 31 CYS C C 31 170.861 170.861 172.325 -1.464 25542 3694 1 13 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.797 -1.392 25542 3695 1 13 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.243 -0.940 25542 3696 1 13 . 1 1 31 31 CYS H H 31 8.719 8.719 8.499 0.220 25542 3697 1 13 . 1 1 32 32 ASP N N 32 124.542 124.542 127.048 -2.506 25542 3698 1 13 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.720 -0.098 25542 3699 1 13 . 1 1 32 32 ASP C C 32 172.541 172.541 176.225 -3.684 25542 3700 1 13 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.913 -0.759 25542 3701 1 13 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.024 -1.783 25542 3702 1 13 . 1 1 32 32 ASP H H 32 8.551 8.551 8.347 0.204 25542 3703 1 13 . 1 1 33 33 ILE N N 33 125.170 125.170 121.684 3.486 25542 3704 1 13 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.567 0.127 25542 3705 1 13 . 1 1 33 33 ILE C C 33 175.743 175.743 176.894 -1.151 25542 3706 1 13 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.247 0.489 25542 3707 1 13 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.798 0.017 25542 3708 1 13 . 1 1 33 33 ILE H H 33 8.464 8.464 8.588 -0.124 25542 3709 1 13 . 1 1 34 34 GLU N N 34 121.058 121.058 119.229 1.829 25542 3710 1 13 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.787 0.355 25542 3711 1 13 . 1 1 34 34 GLU C C 34 176.406 176.406 178.145 -1.739 25542 3712 1 13 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.559 0.552 25542 3713 1 13 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.766 0.956 25542 3714 1 13 . 1 1 34 34 GLU H H 34 8.186 8.186 7.882 0.304 25542 3715 1 13 . 1 1 35 35 LEU N N 35 124.965 124.965 121.193 3.772 25542 3716 1 13 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.830 -0.195 25542 3717 1 13 . 1 1 35 35 LEU C C 35 176.399 176.399 178.851 -2.452 25542 3718 1 13 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.360 -0.331 25542 3719 1 13 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.155 -0.173 25542 3720 1 13 . 1 1 35 35 LEU H H 35 7.849 7.849 7.828 0.021 25542 3721 1 13 . 1 1 36 36 LEU N N 36 120.453 120.453 117.882 2.571 25542 3722 1 13 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.767 -0.088 25542 3723 1 13 . 1 1 36 36 LEU C C 36 176.280 176.280 178.835 -2.555 25542 3724 1 13 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.025 0.710 25542 3725 1 13 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.690 1.780 25542 3726 1 13 . 1 1 36 36 LEU H H 36 8.867 8.867 8.583 0.284 25542 3727 1 13 . 1 1 37 37 ALA N N 37 120.030 120.030 122.022 -1.992 25542 3728 1 13 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.785 0.223 25542 3729 1 13 . 1 1 37 37 ALA C C 37 177.606 177.606 179.055 -1.449 25542 3730 1 13 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.026 0.075 25542 3731 1 13 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.775 -0.134 25542 3732 1 13 . 1 1 37 37 ALA H H 37 7.624 7.624 7.874 -0.250 25542 3733 1 13 . 1 1 38 38 ALA N N 38 121.675 121.675 120.628 1.047 25542 3734 1 13 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.977 0.133 25542 3735 1 13 . 1 1 38 38 ALA C C 38 178.452 178.452 179.130 -0.678 25542 3736 1 13 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.740 0.089 25542 3737 1 13 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.148 -0.140 25542 3738 1 13 . 1 1 38 38 ALA H H 38 7.681 7.681 8.428 -0.747 25542 3739 1 13 . 1 1 39 39 CYS N N 39 119.413 119.413 118.893 0.520 25542 3740 1 13 . 1 1 39 39 CYS HA H 39 3.745 3.745 4.068 -0.323 25542 3741 1 13 . 1 1 39 39 CYS C C 39 173.860 173.860 177.008 -3.148 25542 3742 1 13 . 1 1 39 39 CYS CA C 39 63.819 63.819 61.480 2.339 25542 3743 1 13 . 1 1 39 39 CYS CB C 39 27.310 27.310 26.748 0.562 25542 3744 1 13 . 1 1 39 39 CYS H H 39 8.806 8.806 8.186 0.620 25542 3745 1 13 . 1 1 40 40 ARG N N 40 119.824 119.824 119.575 0.249 25542 3746 1 13 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.915 0.004 25542 3747 1 13 . 1 1 40 40 ARG C C 40 176.108 176.108 178.847 -2.739 25542 3748 1 13 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.237 0.295 25542 3749 1 13 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.035 -0.189 25542 3750 1 13 . 1 1 40 40 ARG H H 40 8.382 8.382 8.670 -0.288 25542 3751 1 13 . 1 1 41 41 GLU N N 41 119.618 119.618 118.339 1.279 25542 3752 1 13 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.058 0.029 25542 3753 1 13 . 1 1 41 41 GLU C C 41 171.786 171.786 178.963 -7.177 25542 3754 1 13 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.255 -0.055 25542 3755 1 13 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.126 0.151 25542 3756 1 13 . 1 1 41 41 GLU H H 41 7.949 7.949 8.243 -0.294 25542 3757 1 13 . 1 1 42 42 GLU N N 42 121.469 121.469 120.459 1.010 25542 3758 1 13 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.082 0.228 25542 3759 1 13 . 1 1 42 42 GLU C C 42 173.408 173.408 178.864 -5.456 25542 3760 1 13 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.373 -1.114 25542 3761 1 13 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.476 -1.334 25542 3762 1 13 . 1 1 42 42 GLU H H 42 7.980 7.980 8.461 -0.481 25542 3763 1 13 . 1 1 43 43 PHE N N 43 119.824 119.824 120.205 -0.381 25542 3764 1 13 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.139 -0.025 25542 3765 1 13 . 1 1 43 43 PHE C C 43 175.299 175.299 177.597 -2.298 25542 3766 1 13 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.921 -0.258 25542 3767 1 13 . 1 1 43 43 PHE CB C 43 39.207 39.207 39.129 0.078 25542 3768 1 13 . 1 1 43 43 PHE H H 43 8.717 8.717 8.588 0.129 25542 3769 1 13 . 1 1 44 44 HIS N N 44 116.534 116.534 118.919 -2.385 25542 3770 1 13 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.293 -0.012 25542 3771 1 13 . 1 1 44 44 HIS C C 44 174.771 174.771 177.888 -3.117 25542 3772 1 13 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.297 -0.760 25542 3773 1 13 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.127 -0.625 25542 3774 1 13 . 1 1 44 44 HIS H H 44 8.105 8.105 8.774 -0.669 25542 3775 1 13 . 1 1 45 45 ARG N N 45 120.875 120.875 119.561 1.314 25542 3776 1 13 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.095 -0.172 25542 3777 1 13 . 1 1 45 45 ARG C C 45 176.310 176.310 178.346 -2.036 25542 3778 1 13 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.922 -0.156 25542 3779 1 13 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.303 -0.024 25542 3780 1 13 . 1 1 45 45 ARG H H 45 8.278 8.278 8.421 -0.143 25542 3781 1 13 . 1 1 46 46 ARG N N 46 116.740 116.740 119.885 -3.145 25542 3782 1 13 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.082 -0.123 25542 3783 1 13 . 1 1 46 46 ARG C C 46 176.046 176.046 178.991 -2.945 25542 3784 1 13 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.425 -0.591 25542 3785 1 13 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.955 -0.097 25542 3786 1 13 . 1 1 46 46 ARG H H 46 8.068 8.068 8.045 0.023 25542 3787 1 13 . 1 1 47 47 LEU N N 47 120.441 120.441 118.832 1.609 25542 3788 1 13 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.043 -0.112 25542 3789 1 13 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.599 2.167 25542 3790 1 13 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.537 0.088 25542 3791 1 13 . 1 1 47 47 LEU H H 47 7.868 7.868 8.472 -0.604 25542 3792 1 13 . 1 1 48 48 LYS N N 48 119.413 119.413 121.071 -1.658 25542 3793 1 13 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.099 -0.020 25542 3794 1 13 . 1 1 48 48 LYS C C 48 176.354 176.354 179.051 -2.697 25542 3795 1 13 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.000 -1.843 25542 3796 1 13 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.727 -0.663 25542 3797 1 13 . 1 1 48 48 LYS H H 48 7.784 7.784 8.139 -0.355 25542 3798 1 13 . 1 1 49 49 VAL N N 49 119.618 119.618 117.431 2.187 25542 3799 1 13 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.829 -0.001 25542 3800 1 13 . 1 1 49 49 VAL C C 49 174.195 174.195 177.707 -3.512 25542 3801 1 13 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.369 -1.450 25542 3802 1 13 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.864 1.445 25542 3803 1 13 . 1 1 49 49 VAL H H 49 7.767 7.767 8.244 -0.477 25542 3804 1 13 . 1 1 50 50 TYR N N 50 122.497 122.497 121.770 0.727 25542 3805 1 13 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.136 0.028 25542 3806 1 13 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.355 -3.053 25542 3807 1 13 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.511 -0.226 25542 3808 1 13 . 1 1 50 50 TYR H H 50 8.142 8.142 8.400 -0.258 25542 3809 1 13 . 1 1 51 51 HIS N N 51 119.002 119.002 118.266 0.736 25542 3810 1 13 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.302 -0.082 25542 3811 1 13 . 1 1 51 51 HIS C C 51 174.214 174.214 176.623 -2.409 25542 3812 1 13 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.431 -1.003 25542 3813 1 13 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.785 -0.686 25542 3814 1 13 . 1 1 51 51 HIS H H 51 8.427 8.427 8.283 0.144 25542 3815 1 13 . 1 1 52 52 ALA N N 52 123.731 123.731 122.156 1.575 25542 3816 1 13 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.006 0.135 25542 3817 1 13 . 1 1 52 52 ALA C C 52 176.134 176.134 179.069 -2.935 25542 3818 1 13 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.141 -0.043 25542 3819 1 13 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.031 0.164 25542 3820 1 13 . 1 1 52 52 ALA H H 52 8.072 8.072 8.016 0.056 25542 3821 1 13 . 1 1 53 53 TRP N N 53 120.614 120.614 119.878 0.736 25542 3822 1 13 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.301 0.048 25542 3823 1 13 . 1 1 53 53 TRP C C 53 173.394 173.394 176.860 -3.466 25542 3824 1 13 . 1 1 53 53 TRP CA C 53 58.776 58.776 60.394 -1.618 25542 3825 1 13 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.384 -0.723 25542 3826 1 13 . 1 1 53 53 TRP H H 53 8.045 8.045 8.363 -0.318 25542 3827 1 13 . 1 1 54 54 LYS N N 54 121.675 121.675 117.470 4.205 25542 3828 1 13 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.029 0.150 25542 3829 1 13 . 1 1 54 54 LYS CA C 54 56.089 56.089 56.941 -0.852 25542 3830 1 13 . 1 1 54 54 LYS CB C 54 32.064 32.064 33.395 -1.331 25542 3831 1 13 . 1 1 54 54 LYS H H 54 8.230 8.230 7.459 0.771 25542 3832 1 13 . 1 1 55 55 SER N N 55 114.683 114.683 113.654 1.029 25542 3833 1 13 . 1 1 55 55 SER HA H 55 4.163 4.163 3.955 0.208 25542 3834 1 13 . 1 1 55 55 SER C C 55 177.387 177.387 173.441 3.946 25542 3835 1 13 . 1 1 55 55 SER CA C 55 59.440 59.440 58.258 1.183 25542 3836 1 13 . 1 1 55 55 SER CB C 55 63.319 63.319 62.122 1.197 25542 3837 1 13 . 1 1 55 55 SER H H 55 7.920 7.920 7.989 -0.069 25542 3838 1 13 . 1 1 56 56 LYS N N 56 122.086 122.086 123.968 -1.882 25542 3839 1 13 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.333 -0.172 25542 3840 1 13 . 1 1 56 56 LYS C C 56 174.830 174.830 176.191 -1.361 25542 3841 1 13 . 1 1 56 56 LYS CA C 56 57.069 57.069 55.904 1.165 25542 3842 1 13 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.419 -0.632 25542 3843 1 13 . 1 1 56 56 LYS H H 56 7.907 7.907 7.893 0.014 25542 3844 1 13 . 1 1 57 57 ASN N N 57 118.385 118.385 123.625 -5.240 25542 3845 1 13 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.711 -0.184 25542 3846 1 13 . 1 1 57 57 ASN C C 57 175.845 175.845 175.263 0.582 25542 3847 1 13 . 1 1 57 57 ASN CA C 57 53.348 53.348 54.021 -0.673 25542 3848 1 13 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.990 -0.148 25542 3849 1 13 . 1 1 57 57 ASN H H 57 8.019 8.019 8.706 -0.687 25542 3850 1 13 . 1 1 58 58 LYS N N 58 121.675 121.675 118.959 2.716 25542 3851 1 13 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.427 -0.232 25542 3852 1 13 . 1 1 58 58 LYS C C 58 175.343 175.343 174.601 0.742 25542 3853 1 13 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.106 0.383 25542 3854 1 13 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.877 -0.167 25542 3855 1 13 . 1 1 58 58 LYS H H 58 8.039 8.039 8.186 -0.147 25542 3856 1 13 . 1 1 59 59 LYS N N 59 123.434 123.434 120.967 2.467 25542 3857 1 13 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.525 -0.300 25542 3858 1 13 . 1 1 59 59 LYS C C 59 172.827 172.827 175.838 -3.011 25542 3859 1 13 . 1 1 59 59 LYS CA C 59 56.213 56.213 55.608 0.605 25542 3860 1 13 . 1 1 59 59 LYS CB C 59 32.913 32.913 33.831 -0.918 25542 3861 1 13 . 1 1 59 59 LYS H H 59 8.348 8.348 7.730 0.618 25542 3862 1 14 . 1 1 10 10 THR N N 10 114.478 114.478 115.447 -0.969 25542 3863 1 14 . 1 1 10 10 THR HA H 10 4.249 4.249 4.455 -0.206 25542 3864 1 14 . 1 1 10 10 THR C C 10 171.741 171.741 174.677 -2.936 25542 3865 1 14 . 1 1 10 10 THR CA C 10 62.036 62.036 61.673 0.363 25542 3866 1 14 . 1 1 10 10 THR CB C 10 69.784 69.784 69.629 0.155 25542 3867 1 14 . 1 1 10 10 THR H H 10 8.118 8.118 7.910 0.208 25542 3868 1 14 . 1 1 11 11 LYS N N 11 124.759 124.759 121.607 3.152 25542 3869 1 14 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.568 -0.397 25542 3870 1 14 . 1 1 11 11 LYS C C 11 172.964 172.964 176.762 -3.798 25542 3871 1 14 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.164 1.021 25542 3872 1 14 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.837 -1.018 25542 3873 1 14 . 1 1 11 11 LYS H H 11 8.442 8.442 8.390 0.052 25542 3874 1 14 . 1 1 12 12 LYS N N 12 123.320 123.320 119.928 3.392 25542 3875 1 14 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.373 -0.257 25542 3876 1 14 . 1 1 12 12 LYS C C 12 173.147 173.147 176.936 -3.789 25542 3877 1 14 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.513 -1.205 25542 3878 1 14 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.311 -0.106 25542 3879 1 14 . 1 1 12 12 LYS H H 12 8.239 8.239 8.389 -0.150 25542 3880 1 14 . 1 1 13 13 TYR N N 13 119.413 119.413 119.080 0.333 25542 3881 1 14 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.642 -0.230 25542 3882 1 14 . 1 1 13 13 TYR C C 13 172.016 172.016 174.876 -2.860 25542 3883 1 14 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.223 0.155 25542 3884 1 14 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.055 -0.109 25542 3885 1 14 . 1 1 13 13 TYR H H 13 8.286 8.286 7.905 0.381 25542 3886 1 14 . 1 1 14 14 ASP N N 14 120.647 120.647 122.810 -2.163 25542 3887 1 14 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.833 -0.146 25542 3888 1 14 . 1 1 14 14 ASP C C 14 173.276 173.276 174.698 -1.422 25542 3889 1 14 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.075 -1.439 25542 3890 1 14 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.966 -1.761 25542 3891 1 14 . 1 1 14 14 ASP H H 14 8.611 8.611 8.487 0.124 25542 3892 1 14 . 1 1 15 15 LEU N N 15 126.198 126.198 126.440 -0.242 25542 3893 1 14 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.678 -0.945 25542 3894 1 14 . 1 1 15 15 LEU C C 15 175.592 175.592 177.285 -1.693 25542 3895 1 14 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.864 -0.489 25542 3896 1 14 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.419 -1.473 25542 3897 1 14 . 1 1 15 15 LEU H H 15 8.877 8.877 8.476 0.401 25542 3898 1 14 . 1 1 16 16 SER N N 16 116.464 116.464 118.807 -2.343 25542 3899 1 14 . 1 1 16 16 SER HA H 16 4.142 4.142 4.089 0.053 25542 3900 1 14 . 1 1 16 16 SER C C 16 173.247 173.247 174.311 -1.064 25542 3901 1 14 . 1 1 16 16 SER CA C 16 61.699 61.699 60.962 0.737 25542 3902 1 14 . 1 1 16 16 SER CB C 16 62.708 62.708 63.705 -0.997 25542 3903 1 14 . 1 1 16 16 SER H H 16 8.132 8.132 8.211 -0.079 25542 3904 1 14 . 1 1 17 17 LYS N N 17 118.179 118.179 118.924 -0.745 25542 3905 1 14 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.533 -0.032 25542 3906 1 14 . 1 1 17 17 LYS C C 17 175.079 175.079 174.725 0.354 25542 3907 1 14 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.375 -1.181 25542 3908 1 14 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.346 -1.293 25542 3909 1 14 . 1 1 17 17 LYS H H 17 8.496 8.496 8.141 0.355 25542 3910 1 14 . 1 1 18 18 TRP N N 18 121.857 121.857 123.078 -1.221 25542 3911 1 14 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.006 -0.414 25542 3912 1 14 . 1 1 18 18 TRP C C 18 174.862 174.862 175.574 -0.712 25542 3913 1 14 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.141 3.044 25542 3914 1 14 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.208 -3.576 25542 3915 1 14 . 1 1 18 18 TRP H H 18 7.830 7.830 8.488 -0.658 25542 3916 1 14 . 1 1 19 19 LYS N N 19 123.014 123.014 121.043 1.971 25542 3917 1 14 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.079 0.466 25542 3918 1 14 . 1 1 19 19 LYS C C 19 175.094 175.094 177.290 -2.196 25542 3919 1 14 . 1 1 19 19 LYS CA C 19 55.269 55.269 55.350 -0.081 25542 3920 1 14 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.335 -0.244 25542 3921 1 14 . 1 1 19 19 LYS H H 19 9.533 9.533 8.014 1.519 25542 3922 1 14 . 1 1 20 20 TYR N N 20 124.553 124.553 120.261 4.292 25542 3923 1 14 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.140 -0.125 25542 3924 1 14 . 1 1 20 20 TYR C C 20 174.531 174.531 178.035 -3.504 25542 3925 1 14 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.035 1.101 25542 3926 1 14 . 1 1 20 20 TYR CB C 20 38.114 38.114 37.196 0.918 25542 3927 1 14 . 1 1 20 20 TYR H H 20 9.400 9.400 7.821 1.579 25542 3928 1 14 . 1 1 21 21 ALA N N 21 117.974 117.974 122.786 -4.812 25542 3929 1 14 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.132 -0.315 25542 3930 1 14 . 1 1 21 21 ALA C C 21 176.314 176.314 179.406 -3.092 25542 3931 1 14 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.582 -0.230 25542 3932 1 14 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.643 0.964 25542 3933 1 14 . 1 1 21 21 ALA H H 21 8.991 8.991 8.555 0.436 25542 3934 1 14 . 1 1 22 22 GLU N N 22 115.300 115.300 118.992 -3.692 25542 3935 1 14 . 1 1 22 22 GLU HA H 22 4.107 4.107 4.018 0.089 25542 3936 1 14 . 1 1 22 22 GLU C C 22 177.380 177.380 179.145 -1.765 25542 3937 1 14 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.863 -0.433 25542 3938 1 14 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.755 1.115 25542 3939 1 14 . 1 1 22 22 GLU H H 22 6.842 6.842 8.560 -1.718 25542 3940 1 14 . 1 1 23 23 LEU N N 23 122.086 122.086 122.065 0.021 25542 3941 1 14 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.229 -0.063 25542 3942 1 14 . 1 1 23 23 LEU C C 23 174.830 174.830 179.286 -4.456 25542 3943 1 14 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.447 0.196 25542 3944 1 14 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.087 1.024 25542 3945 1 14 . 1 1 23 23 LEU H H 23 7.906 7.906 8.429 -0.523 25542 3946 1 14 . 1 1 24 24 ARG N N 24 117.974 117.974 119.111 -1.137 25542 3947 1 14 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.905 -0.246 25542 3948 1 14 . 1 1 24 24 ARG C C 24 175.240 175.240 178.198 -2.958 25542 3949 1 14 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.913 -0.881 25542 3950 1 14 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.097 -0.263 25542 3951 1 14 . 1 1 24 24 ARG H H 24 8.220 8.220 8.258 -0.038 25542 3952 1 14 . 1 1 25 25 ASP N N 25 118.179 118.179 118.937 -0.758 25542 3953 1 14 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.398 -0.012 25542 3954 1 14 . 1 1 25 25 ASP C C 25 176.554 176.554 178.466 -1.912 25542 3955 1 14 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.662 -0.375 25542 3956 1 14 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.998 -0.956 25542 3957 1 14 . 1 1 25 25 ASP H H 25 8.482 8.482 8.272 0.210 25542 3958 1 14 . 1 1 26 26 THR N N 26 118.385 118.385 116.490 1.895 25542 3959 1 14 . 1 1 26 26 THR HA H 26 3.900 3.900 4.089 -0.189 25542 3960 1 14 . 1 1 26 26 THR C C 26 173.365 173.365 177.054 -3.689 25542 3961 1 14 . 1 1 26 26 THR CA C 26 67.774 67.774 66.309 1.464 25542 3962 1 14 . 1 1 26 26 THR CB C 26 67.779 67.779 69.054 -1.275 25542 3963 1 14 . 1 1 26 26 THR H H 26 7.930 7.930 8.582 -0.652 25542 3964 1 14 . 1 1 27 27 ILE N N 27 122.497 122.497 119.494 3.003 25542 3965 1 14 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.925 -0.280 25542 3966 1 14 . 1 1 27 27 ILE C C 27 174.485 174.485 176.110 -1.625 25542 3967 1 14 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.347 1.271 25542 3968 1 14 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.161 -0.509 25542 3969 1 14 . 1 1 27 27 ILE H H 27 8.145 8.145 7.973 0.172 25542 3970 1 14 . 1 1 28 28 ASN N N 28 115.095 115.095 115.583 -0.488 25542 3971 1 14 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.767 -0.145 25542 3972 1 14 . 1 1 28 28 ASN C C 28 173.902 173.902 175.956 -2.054 25542 3973 1 14 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.148 0.281 25542 3974 1 14 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.645 -0.476 25542 3975 1 14 . 1 1 28 28 ASN H H 28 7.700 7.700 8.164 -0.464 25542 3976 1 14 . 1 1 29 29 THR N N 29 107.692 107.692 109.560 -1.868 25542 3977 1 14 . 1 1 29 29 THR HA H 29 4.606 4.606 4.522 0.084 25542 3978 1 14 . 1 1 29 29 THR C C 29 172.290 172.290 175.383 -3.093 25542 3979 1 14 . 1 1 29 29 THR CA C 29 62.629 62.629 62.331 0.298 25542 3980 1 14 . 1 1 29 29 THR CB C 29 72.232 72.232 70.084 2.148 25542 3981 1 14 . 1 1 29 29 THR H H 29 7.592 7.592 8.153 -0.561 25542 3982 1 14 . 1 1 30 30 SER N N 30 117.670 117.670 117.631 0.039 25542 3983 1 14 . 1 1 30 30 SER HA H 30 4.298 4.298 4.627 -0.329 25542 3984 1 14 . 1 1 30 30 SER C C 30 172.473 172.473 172.833 -0.360 25542 3985 1 14 . 1 1 30 30 SER CA C 30 59.633 59.633 58.663 0.970 25542 3986 1 14 . 1 1 30 30 SER CB C 30 64.278 64.278 64.766 -0.488 25542 3987 1 14 . 1 1 30 30 SER H H 30 8.701 8.701 8.020 0.681 25542 3988 1 14 . 1 1 31 31 CYS N N 31 121.263 121.263 119.525 1.738 25542 3989 1 14 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.622 0.159 25542 3990 1 14 . 1 1 31 31 CYS C C 31 170.861 170.861 172.469 -1.608 25542 3991 1 14 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.720 -1.315 25542 3992 1 14 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.893 -0.590 25542 3993 1 14 . 1 1 31 31 CYS H H 31 8.719 8.719 8.466 0.253 25542 3994 1 14 . 1 1 32 32 ASP N N 32 124.542 124.542 126.805 -2.263 25542 3995 1 14 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.715 -0.093 25542 3996 1 14 . 1 1 32 32 ASP C C 32 172.541 172.541 176.138 -3.597 25542 3997 1 14 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.784 -0.630 25542 3998 1 14 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.981 -1.740 25542 3999 1 14 . 1 1 32 32 ASP H H 32 8.551 8.551 8.305 0.246 25542 4000 1 14 . 1 1 33 33 ILE N N 33 125.170 125.170 121.915 3.255 25542 4001 1 14 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.558 0.136 25542 4002 1 14 . 1 1 33 33 ILE C C 33 175.743 175.743 176.740 -0.997 25542 4003 1 14 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.416 0.320 25542 4004 1 14 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.834 -0.019 25542 4005 1 14 . 1 1 33 33 ILE H H 33 8.464 8.464 8.526 -0.062 25542 4006 1 14 . 1 1 34 34 GLU N N 34 121.058 121.058 118.931 2.127 25542 4007 1 14 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.723 0.419 25542 4008 1 14 . 1 1 34 34 GLU C C 34 176.406 176.406 177.953 -1.547 25542 4009 1 14 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.435 0.676 25542 4010 1 14 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.775 0.947 25542 4011 1 14 . 1 1 34 34 GLU H H 34 8.186 8.186 7.982 0.204 25542 4012 1 14 . 1 1 35 35 LEU N N 35 124.965 124.965 121.177 3.788 25542 4013 1 14 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.897 -0.262 25542 4014 1 14 . 1 1 35 35 LEU C C 35 176.399 176.399 178.861 -2.462 25542 4015 1 14 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.380 -0.351 25542 4016 1 14 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.165 -0.183 25542 4017 1 14 . 1 1 35 35 LEU H H 35 7.849 7.849 7.848 0.001 25542 4018 1 14 . 1 1 36 36 LEU N N 36 120.453 120.453 117.898 2.555 25542 4019 1 14 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.757 -0.078 25542 4020 1 14 . 1 1 36 36 LEU C C 36 176.280 176.280 178.854 -2.574 25542 4021 1 14 . 1 1 36 36 LEU CA C 36 58.735 58.735 57.990 0.745 25542 4022 1 14 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.693 1.776 25542 4023 1 14 . 1 1 36 36 LEU H H 36 8.867 8.867 8.557 0.310 25542 4024 1 14 . 1 1 37 37 ALA N N 37 120.030 120.030 121.630 -1.600 25542 4025 1 14 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.757 0.251 25542 4026 1 14 . 1 1 37 37 ALA C C 37 177.606 177.606 179.327 -1.721 25542 4027 1 14 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.051 0.050 25542 4028 1 14 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.701 -0.060 25542 4029 1 14 . 1 1 37 37 ALA H H 37 7.624 7.624 7.846 -0.222 25542 4030 1 14 . 1 1 38 38 ALA N N 38 121.675 121.675 121.764 -0.089 25542 4031 1 14 . 1 1 38 38 ALA HA H 38 4.110 4.110 4.068 0.042 25542 4032 1 14 . 1 1 38 38 ALA C C 38 178.452 178.452 179.087 -0.635 25542 4033 1 14 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.706 0.123 25542 4034 1 14 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.050 -0.042 25542 4035 1 14 . 1 1 38 38 ALA H H 38 7.681 7.681 8.319 -0.638 25542 4036 1 14 . 1 1 39 39 CYS N N 39 119.413 119.413 117.685 1.728 25542 4037 1 14 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.851 -0.106 25542 4038 1 14 . 1 1 39 39 CYS C C 39 173.860 173.860 176.644 -2.784 25542 4039 1 14 . 1 1 39 39 CYS CA C 39 63.819 63.819 64.047 -0.228 25542 4040 1 14 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.548 -0.238 25542 4041 1 14 . 1 1 39 39 CYS H H 39 8.806 8.806 7.995 0.811 25542 4042 1 14 . 1 1 40 40 ARG N N 40 119.824 119.824 119.908 -0.084 25542 4043 1 14 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.864 0.055 25542 4044 1 14 . 1 1 40 40 ARG C C 40 176.108 176.108 178.144 -2.036 25542 4045 1 14 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.944 0.588 25542 4046 1 14 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.996 -0.150 25542 4047 1 14 . 1 1 40 40 ARG H H 40 8.382 8.382 8.417 -0.035 25542 4048 1 14 . 1 1 41 41 GLU N N 41 119.618 119.618 118.873 0.745 25542 4049 1 14 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.849 0.238 25542 4050 1 14 . 1 1 41 41 GLU C C 41 171.786 171.786 179.268 -7.482 25542 4051 1 14 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.723 -0.523 25542 4052 1 14 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.266 0.011 25542 4053 1 14 . 1 1 41 41 GLU H H 41 7.949 7.949 8.107 -0.158 25542 4054 1 14 . 1 1 42 42 GLU N N 42 121.469 121.469 119.656 1.813 25542 4055 1 14 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.137 0.173 25542 4056 1 14 . 1 1 42 42 GLU C C 42 173.408 173.408 179.130 -5.722 25542 4057 1 14 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.258 -0.999 25542 4058 1 14 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.376 -1.234 25542 4059 1 14 . 1 1 42 42 GLU H H 42 7.980 7.980 8.060 -0.080 25542 4060 1 14 . 1 1 43 43 PHE N N 43 119.824 119.824 120.353 -0.529 25542 4061 1 14 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.188 -0.074 25542 4062 1 14 . 1 1 43 43 PHE C C 43 175.299 175.299 178.583 -3.284 25542 4063 1 14 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.249 -0.586 25542 4064 1 14 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.574 0.633 25542 4065 1 14 . 1 1 43 43 PHE H H 43 8.717 8.717 8.739 -0.022 25542 4066 1 14 . 1 1 44 44 HIS N N 44 116.534 116.534 117.865 -1.331 25542 4067 1 14 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.306 -0.025 25542 4068 1 14 . 1 1 44 44 HIS C C 44 174.771 174.771 177.861 -3.090 25542 4069 1 14 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.082 -0.545 25542 4070 1 14 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.471 0.031 25542 4071 1 14 . 1 1 44 44 HIS H H 44 8.105 8.105 8.952 -0.847 25542 4072 1 14 . 1 1 45 45 ARG N N 45 120.875 120.875 120.314 0.561 25542 4073 1 14 . 1 1 45 45 ARG HA H 45 3.923 3.923 3.994 -0.071 25542 4074 1 14 . 1 1 45 45 ARG C C 45 176.310 176.310 178.594 -2.284 25542 4075 1 14 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.671 0.095 25542 4076 1 14 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.240 0.039 25542 4077 1 14 . 1 1 45 45 ARG H H 45 8.278 8.278 8.463 -0.185 25542 4078 1 14 . 1 1 46 46 ARG N N 46 116.740 116.740 119.467 -2.727 25542 4079 1 14 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.125 -0.166 25542 4080 1 14 . 1 1 46 46 ARG C C 46 176.046 176.046 179.017 -2.971 25542 4081 1 14 . 1 1 46 46 ARG CA C 46 58.834 58.834 58.581 0.253 25542 4082 1 14 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.761 0.097 25542 4083 1 14 . 1 1 46 46 ARG H H 46 8.068 8.068 8.407 -0.339 25542 4084 1 14 . 1 1 47 47 LEU N N 47 120.441 120.441 120.270 0.171 25542 4085 1 14 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.220 -0.289 25542 4086 1 14 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.731 2.035 25542 4087 1 14 . 1 1 47 47 LEU CB C 47 41.625 41.625 42.015 -0.390 25542 4088 1 14 . 1 1 47 47 LEU H H 47 7.868 7.868 8.522 -0.654 25542 4089 1 14 . 1 1 48 48 LYS N N 48 119.413 119.413 120.632 -1.219 25542 4090 1 14 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.037 0.042 25542 4091 1 14 . 1 1 48 48 LYS C C 48 176.354 176.354 178.969 -2.615 25542 4092 1 14 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.148 -1.992 25542 4093 1 14 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.594 -0.530 25542 4094 1 14 . 1 1 48 48 LYS H H 48 7.784 7.784 8.385 -0.601 25542 4095 1 14 . 1 1 49 49 VAL N N 49 119.618 119.618 117.411 2.207 25542 4096 1 14 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.832 -0.004 25542 4097 1 14 . 1 1 49 49 VAL C C 49 174.195 174.195 177.777 -3.582 25542 4098 1 14 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.724 -0.805 25542 4099 1 14 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.011 1.298 25542 4100 1 14 . 1 1 49 49 VAL H H 49 7.767 7.767 8.229 -0.462 25542 4101 1 14 . 1 1 50 50 TYR N N 50 122.497 122.497 120.987 1.510 25542 4102 1 14 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.107 0.057 25542 4103 1 14 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.098 -2.796 25542 4104 1 14 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.478 -0.192 25542 4105 1 14 . 1 1 50 50 TYR H H 50 8.142 8.142 8.201 -0.059 25542 4106 1 14 . 1 1 51 51 HIS N N 51 119.002 119.002 116.917 2.085 25542 4107 1 14 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.219 0.001 25542 4108 1 14 . 1 1 51 51 HIS C C 51 174.214 174.214 177.692 -3.478 25542 4109 1 14 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.878 -1.450 25542 4110 1 14 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.824 -0.725 25542 4111 1 14 . 1 1 51 51 HIS H H 51 8.427 8.427 8.074 0.353 25542 4112 1 14 . 1 1 52 52 ALA N N 52 123.731 123.731 123.137 0.594 25542 4113 1 14 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.133 0.008 25542 4114 1 14 . 1 1 52 52 ALA C C 52 176.134 176.134 179.188 -3.054 25542 4115 1 14 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.514 -0.416 25542 4116 1 14 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.263 -0.068 25542 4117 1 14 . 1 1 52 52 ALA H H 52 8.072 8.072 8.085 -0.013 25542 4118 1 14 . 1 1 53 53 TRP N N 53 120.614 120.614 120.229 0.385 25542 4119 1 14 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.367 -0.018 25542 4120 1 14 . 1 1 53 53 TRP C C 53 173.394 173.394 176.478 -3.084 25542 4121 1 14 . 1 1 53 53 TRP CA C 53 58.776 58.776 58.473 0.303 25542 4122 1 14 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.993 -0.332 25542 4123 1 14 . 1 1 53 53 TRP H H 53 8.045 8.045 8.233 -0.188 25542 4124 1 14 . 1 1 54 54 LYS N N 54 121.675 121.675 118.338 3.337 25542 4125 1 14 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.755 0.424 25542 4126 1 14 . 1 1 54 54 LYS CA C 54 56.089 56.089 58.287 -2.198 25542 4127 1 14 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.204 -0.140 25542 4128 1 14 . 1 1 54 54 LYS H H 54 8.230 8.230 7.333 0.897 25542 4129 1 14 . 1 1 55 55 SER N N 55 114.683 114.683 114.034 0.649 25542 4130 1 14 . 1 1 55 55 SER HA H 55 4.163 4.163 4.139 0.024 25542 4131 1 14 . 1 1 55 55 SER C C 55 177.387 177.387 172.262 5.125 25542 4132 1 14 . 1 1 55 55 SER CA C 55 59.440 59.440 58.665 0.775 25542 4133 1 14 . 1 1 55 55 SER CB C 55 63.319 63.319 63.458 -0.139 25542 4134 1 14 . 1 1 55 55 SER H H 55 7.920 7.920 7.518 0.402 25542 4135 1 14 . 1 1 56 56 LYS N N 56 122.086 122.086 124.481 -2.395 25542 4136 1 14 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.291 -0.130 25542 4137 1 14 . 1 1 56 56 LYS C C 56 174.830 174.830 174.666 0.164 25542 4138 1 14 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.559 0.510 25542 4139 1 14 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.405 -0.618 25542 4140 1 14 . 1 1 56 56 LYS H H 56 7.907 7.907 8.107 -0.200 25542 4141 1 14 . 1 1 57 57 ASN N N 57 118.385 118.385 118.036 0.349 25542 4142 1 14 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.389 0.138 25542 4143 1 14 . 1 1 57 57 ASN C C 57 175.845 175.845 173.688 2.157 25542 4144 1 14 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.685 -0.337 25542 4145 1 14 . 1 1 57 57 ASN CB C 57 38.842 38.842 36.723 2.119 25542 4146 1 14 . 1 1 57 57 ASN H H 57 8.019 8.019 7.910 0.109 25542 4147 1 14 . 1 1 58 58 LYS N N 58 121.675 121.675 114.161 7.514 25542 4148 1 14 . 1 1 58 58 LYS HA H 58 4.195 4.195 3.960 0.235 25542 4149 1 14 . 1 1 58 58 LYS C C 58 175.343 175.343 175.546 -0.203 25542 4150 1 14 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.611 -0.122 25542 4151 1 14 . 1 1 58 58 LYS CB C 58 32.711 32.711 31.902 0.809 25542 4152 1 14 . 1 1 58 58 LYS H H 58 8.039 8.039 8.047 -0.008 25542 4153 1 14 . 1 1 59 59 LYS N N 59 123.434 123.434 124.242 -0.808 25542 4154 1 14 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.139 0.086 25542 4155 1 14 . 1 1 59 59 LYS C C 59 172.827 172.827 176.714 -3.887 25542 4156 1 14 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.182 0.031 25542 4157 1 14 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.619 0.294 25542 4158 1 14 . 1 1 59 59 LYS H H 59 8.348 8.348 8.375 -0.027 25542 4159 1 15 . 1 1 10 10 THR N N 10 114.478 114.478 114.829 -0.351 25542 4160 1 15 . 1 1 10 10 THR HA H 10 4.249 4.249 4.472 -0.223 25542 4161 1 15 . 1 1 10 10 THR C C 10 171.741 171.741 175.406 -3.665 25542 4162 1 15 . 1 1 10 10 THR CA C 10 62.036 62.036 61.431 0.605 25542 4163 1 15 . 1 1 10 10 THR CB C 10 69.784 69.784 69.657 0.127 25542 4164 1 15 . 1 1 10 10 THR H H 10 8.118 8.118 8.223 -0.105 25542 4165 1 15 . 1 1 11 11 LYS N N 11 124.759 124.759 121.384 3.375 25542 4166 1 15 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.191 -0.020 25542 4167 1 15 . 1 1 11 11 LYS C C 11 172.964 172.964 177.436 -4.472 25542 4168 1 15 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.992 -0.807 25542 4169 1 15 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.859 -0.040 25542 4170 1 15 . 1 1 11 11 LYS H H 11 8.442 8.442 8.511 -0.068 25542 4171 1 15 . 1 1 12 12 LYS N N 12 123.320 123.320 119.340 3.980 25542 4172 1 15 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.150 -0.034 25542 4173 1 15 . 1 1 12 12 LYS C C 12 173.147 173.147 177.034 -3.887 25542 4174 1 15 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.238 -1.930 25542 4175 1 15 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.697 0.508 25542 4176 1 15 . 1 1 12 12 LYS H H 12 8.239 8.239 8.327 -0.088 25542 4177 1 15 . 1 1 13 13 TYR N N 13 119.413 119.413 116.578 2.835 25542 4178 1 15 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.610 -0.198 25542 4179 1 15 . 1 1 13 13 TYR C C 13 172.016 172.016 174.899 -2.883 25542 4180 1 15 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.722 -0.344 25542 4181 1 15 . 1 1 13 13 TYR CB C 13 39.946 39.946 41.030 -1.084 25542 4182 1 15 . 1 1 13 13 TYR H H 13 8.286 8.286 7.976 0.310 25542 4183 1 15 . 1 1 14 14 ASP N N 14 120.647 120.647 121.507 -0.860 25542 4184 1 15 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.814 -0.127 25542 4185 1 15 . 1 1 14 14 ASP C C 14 173.276 173.276 174.857 -1.581 25542 4186 1 15 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.147 -1.511 25542 4187 1 15 . 1 1 14 14 ASP CB C 14 40.205 40.205 41.643 -1.438 25542 4188 1 15 . 1 1 14 14 ASP H H 14 8.611 8.611 8.511 0.100 25542 4189 1 15 . 1 1 15 15 LEU N N 15 126.198 126.198 126.292 -0.094 25542 4190 1 15 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.657 -0.924 25542 4191 1 15 . 1 1 15 15 LEU C C 15 175.592 175.592 177.340 -1.748 25542 4192 1 15 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.014 -0.639 25542 4193 1 15 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.539 -1.593 25542 4194 1 15 . 1 1 15 15 LEU H H 15 8.877 8.877 8.392 0.485 25542 4195 1 15 . 1 1 16 16 SER N N 16 116.464 116.464 118.470 -2.006 25542 4196 1 15 . 1 1 16 16 SER HA H 16 4.142 4.142 4.141 0.001 25542 4197 1 15 . 1 1 16 16 SER C C 16 173.247 173.247 174.216 -0.969 25542 4198 1 15 . 1 1 16 16 SER CA C 16 61.699 61.699 61.091 0.608 25542 4199 1 15 . 1 1 16 16 SER CB C 16 62.708 62.708 63.705 -0.997 25542 4200 1 15 . 1 1 16 16 SER H H 16 8.132 8.132 8.165 -0.033 25542 4201 1 15 . 1 1 17 17 LYS N N 17 118.179 118.179 119.710 -1.531 25542 4202 1 15 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.528 -0.027 25542 4203 1 15 . 1 1 17 17 LYS C C 17 175.079 175.079 175.469 -0.390 25542 4204 1 15 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.371 -1.177 25542 4205 1 15 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.536 -1.483 25542 4206 1 15 . 1 1 17 17 LYS H H 17 8.496 8.496 8.086 0.410 25542 4207 1 15 . 1 1 18 18 TRP N N 18 121.857 121.857 124.455 -2.598 25542 4208 1 15 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.914 -0.322 25542 4209 1 15 . 1 1 18 18 TRP C C 18 174.862 174.862 175.397 -0.535 25542 4210 1 15 . 1 1 18 18 TRP CA C 18 58.185 58.185 54.834 3.351 25542 4211 1 15 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.664 -4.032 25542 4212 1 15 . 1 1 18 18 TRP H H 18 7.830 7.830 8.471 -0.641 25542 4213 1 15 . 1 1 19 19 LYS N N 19 123.014 123.014 119.477 3.537 25542 4214 1 15 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.464 0.081 25542 4215 1 15 . 1 1 19 19 LYS C C 19 175.094 175.094 177.677 -2.583 25542 4216 1 15 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.210 1.059 25542 4217 1 15 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.249 -0.158 25542 4218 1 15 . 1 1 19 19 LYS H H 19 9.533 9.533 8.246 1.287 25542 4219 1 15 . 1 1 20 20 TYR N N 20 124.553 124.553 120.695 3.858 25542 4220 1 15 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.155 -0.140 25542 4221 1 15 . 1 1 20 20 TYR C C 20 174.531 174.531 177.645 -3.114 25542 4222 1 15 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.180 1.957 25542 4223 1 15 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.855 1.259 25542 4224 1 15 . 1 1 20 20 TYR H H 20 9.400 9.400 7.987 1.413 25542 4225 1 15 . 1 1 21 21 ALA N N 21 117.974 117.974 123.358 -5.384 25542 4226 1 15 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.139 -0.322 25542 4227 1 15 . 1 1 21 21 ALA C C 21 176.314 176.314 179.298 -2.984 25542 4228 1 15 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.446 -0.094 25542 4229 1 15 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.534 1.073 25542 4230 1 15 . 1 1 21 21 ALA H H 21 8.991 8.991 7.999 0.992 25542 4231 1 15 . 1 1 22 22 GLU N N 22 115.300 115.300 119.084 -3.784 25542 4232 1 15 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.981 0.126 25542 4233 1 15 . 1 1 22 22 GLU C C 22 177.380 177.380 179.135 -1.755 25542 4234 1 15 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.850 -0.420 25542 4235 1 15 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.679 1.191 25542 4236 1 15 . 1 1 22 22 GLU H H 22 6.842 6.842 8.477 -1.635 25542 4237 1 15 . 1 1 23 23 LEU N N 23 122.086 122.086 122.013 0.073 25542 4238 1 15 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.235 -0.069 25542 4239 1 15 . 1 1 23 23 LEU C C 23 174.830 174.830 179.261 -4.431 25542 4240 1 15 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.445 0.198 25542 4241 1 15 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.073 1.038 25542 4242 1 15 . 1 1 23 23 LEU H H 23 7.906 7.906 8.472 -0.566 25542 4243 1 15 . 1 1 24 24 ARG N N 24 117.974 117.974 119.119 -1.145 25542 4244 1 15 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.886 -0.227 25542 4245 1 15 . 1 1 24 24 ARG C C 24 175.240 175.240 178.441 -3.201 25542 4246 1 15 . 1 1 24 24 ARG CA C 24 59.031 59.031 60.006 -0.975 25542 4247 1 15 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.191 -0.357 25542 4248 1 15 . 1 1 24 24 ARG H H 24 8.220 8.220 8.231 -0.011 25542 4249 1 15 . 1 1 25 25 ASP N N 25 118.179 118.179 118.524 -0.345 25542 4250 1 15 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.414 -0.028 25542 4251 1 15 . 1 1 25 25 ASP C C 25 176.554 176.554 178.513 -1.959 25542 4252 1 15 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.468 -0.181 25542 4253 1 15 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.830 -0.788 25542 4254 1 15 . 1 1 25 25 ASP H H 25 8.482 8.482 8.357 0.125 25542 4255 1 15 . 1 1 26 26 THR N N 26 118.385 118.385 116.566 1.819 25542 4256 1 15 . 1 1 26 26 THR HA H 26 3.900 3.900 4.036 -0.136 25542 4257 1 15 . 1 1 26 26 THR C C 26 173.365 173.365 176.959 -3.594 25542 4258 1 15 . 1 1 26 26 THR CA C 26 67.774 67.774 66.509 1.265 25542 4259 1 15 . 1 1 26 26 THR CB C 26 67.779 67.779 69.144 -1.365 25542 4260 1 15 . 1 1 26 26 THR H H 26 7.930 7.930 8.426 -0.496 25542 4261 1 15 . 1 1 27 27 ILE N N 27 122.497 122.497 119.480 3.017 25542 4262 1 15 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.907 -0.262 25542 4263 1 15 . 1 1 27 27 ILE C C 27 174.485 174.485 176.141 -1.656 25542 4264 1 15 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.470 1.148 25542 4265 1 15 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.141 -0.489 25542 4266 1 15 . 1 1 27 27 ILE H H 27 8.145 8.145 7.976 0.169 25542 4267 1 15 . 1 1 28 28 ASN N N 28 115.095 115.095 115.485 -0.390 25542 4268 1 15 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.763 -0.141 25542 4269 1 15 . 1 1 28 28 ASN C C 28 173.902 173.902 175.943 -2.041 25542 4270 1 15 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.128 0.301 25542 4271 1 15 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.621 -0.452 25542 4272 1 15 . 1 1 28 28 ASN H H 28 7.700 7.700 8.139 -0.439 25542 4273 1 15 . 1 1 29 29 THR N N 29 107.692 107.692 110.344 -2.652 25542 4274 1 15 . 1 1 29 29 THR HA H 29 4.606 4.606 4.524 0.082 25542 4275 1 15 . 1 1 29 29 THR C C 29 172.290 172.290 175.377 -3.087 25542 4276 1 15 . 1 1 29 29 THR CA C 29 62.629 62.629 62.329 0.300 25542 4277 1 15 . 1 1 29 29 THR CB C 29 72.232 72.232 70.278 1.954 25542 4278 1 15 . 1 1 29 29 THR H H 29 7.592 7.592 8.128 -0.536 25542 4279 1 15 . 1 1 30 30 SER N N 30 117.670 117.670 117.600 0.070 25542 4280 1 15 . 1 1 30 30 SER HA H 30 4.298 4.298 4.641 -0.343 25542 4281 1 15 . 1 1 30 30 SER C C 30 172.473 172.473 172.985 -0.512 25542 4282 1 15 . 1 1 30 30 SER CA C 30 59.633 59.633 58.862 0.771 25542 4283 1 15 . 1 1 30 30 SER CB C 30 64.278 64.278 64.672 -0.394 25542 4284 1 15 . 1 1 30 30 SER H H 30 8.701 8.701 8.287 0.414 25542 4285 1 15 . 1 1 31 31 CYS N N 31 121.263 121.263 119.680 1.583 25542 4286 1 15 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.680 0.101 25542 4287 1 15 . 1 1 31 31 CYS C C 31 170.861 170.861 172.386 -1.525 25542 4288 1 15 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.237 -1.832 25542 4289 1 15 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.084 -0.781 25542 4290 1 15 . 1 1 31 31 CYS H H 31 8.719 8.719 8.462 0.257 25542 4291 1 15 . 1 1 32 32 ASP N N 32 124.542 124.542 126.988 -2.446 25542 4292 1 15 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.733 -0.111 25542 4293 1 15 . 1 1 32 32 ASP C C 32 172.541 172.541 176.508 -3.967 25542 4294 1 15 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.020 -0.866 25542 4295 1 15 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.961 -1.720 25542 4296 1 15 . 1 1 32 32 ASP H H 32 8.551 8.551 8.292 0.259 25542 4297 1 15 . 1 1 33 33 ILE N N 33 125.170 125.170 121.830 3.340 25542 4298 1 15 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.571 0.123 25542 4299 1 15 . 1 1 33 33 ILE C C 33 175.743 175.743 176.948 -1.205 25542 4300 1 15 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.233 0.503 25542 4301 1 15 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.795 0.020 25542 4302 1 15 . 1 1 33 33 ILE H H 33 8.464 8.464 8.601 -0.137 25542 4303 1 15 . 1 1 34 34 GLU N N 34 121.058 121.058 119.298 1.760 25542 4304 1 15 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.788 0.354 25542 4305 1 15 . 1 1 34 34 GLU C C 34 176.406 176.406 178.332 -1.926 25542 4306 1 15 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.608 0.503 25542 4307 1 15 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.676 1.046 25542 4308 1 15 . 1 1 34 34 GLU H H 34 8.186 8.186 7.819 0.367 25542 4309 1 15 . 1 1 35 35 LEU N N 35 124.965 124.965 121.237 3.728 25542 4310 1 15 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.960 -0.325 25542 4311 1 15 . 1 1 35 35 LEU C C 35 176.399 176.399 178.898 -2.499 25542 4312 1 15 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.456 -0.427 25542 4313 1 15 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.213 -0.231 25542 4314 1 15 . 1 1 35 35 LEU H H 35 7.849 7.849 7.886 -0.037 25542 4315 1 15 . 1 1 36 36 LEU N N 36 120.453 120.453 117.909 2.544 25542 4316 1 15 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.790 -0.111 25542 4317 1 15 . 1 1 36 36 LEU C C 36 176.280 176.280 178.905 -2.625 25542 4318 1 15 . 1 1 36 36 LEU CA C 36 58.735 58.735 57.989 0.746 25542 4319 1 15 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.727 1.742 25542 4320 1 15 . 1 1 36 36 LEU H H 36 8.867 8.867 8.617 0.250 25542 4321 1 15 . 1 1 37 37 ALA N N 37 120.030 120.030 122.100 -2.070 25542 4322 1 15 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.797 0.211 25542 4323 1 15 . 1 1 37 37 ALA C C 37 177.606 177.606 179.000 -1.394 25542 4324 1 15 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.069 0.032 25542 4325 1 15 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.767 -0.126 25542 4326 1 15 . 1 1 37 37 ALA H H 37 7.624 7.624 7.894 -0.270 25542 4327 1 15 . 1 1 38 38 ALA N N 38 121.675 121.675 120.791 0.884 25542 4328 1 15 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.937 0.173 25542 4329 1 15 . 1 1 38 38 ALA C C 38 178.452 178.452 178.974 -0.522 25542 4330 1 15 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.925 -0.096 25542 4331 1 15 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.063 -0.055 25542 4332 1 15 . 1 1 38 38 ALA H H 38 7.681 7.681 8.287 -0.606 25542 4333 1 15 . 1 1 39 39 CYS N N 39 119.413 119.413 117.654 1.759 25542 4334 1 15 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.835 -0.090 25542 4335 1 15 . 1 1 39 39 CYS C C 39 173.860 173.860 176.992 -3.132 25542 4336 1 15 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.928 -0.110 25542 4337 1 15 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.555 -0.245 25542 4338 1 15 . 1 1 39 39 CYS H H 39 8.806 8.806 8.133 0.673 25542 4339 1 15 . 1 1 40 40 ARG N N 40 119.824 119.824 119.219 0.605 25542 4340 1 15 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.893 0.026 25542 4341 1 15 . 1 1 40 40 ARG C C 40 176.108 176.108 178.815 -2.707 25542 4342 1 15 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.154 0.378 25542 4343 1 15 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.076 -0.230 25542 4344 1 15 . 1 1 40 40 ARG H H 40 8.382 8.382 8.575 -0.193 25542 4345 1 15 . 1 1 41 41 GLU N N 41 119.618 119.618 118.613 1.005 25542 4346 1 15 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.105 -0.018 25542 4347 1 15 . 1 1 41 41 GLU C C 41 171.786 171.786 179.297 -7.511 25542 4348 1 15 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.506 -0.306 25542 4349 1 15 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.011 0.266 25542 4350 1 15 . 1 1 41 41 GLU H H 41 7.949 7.949 8.219 -0.270 25542 4351 1 15 . 1 1 42 42 GLU N N 42 121.469 121.469 119.881 1.588 25542 4352 1 15 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.166 0.144 25542 4353 1 15 . 1 1 42 42 GLU C C 42 173.408 173.408 179.220 -5.812 25542 4354 1 15 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.239 -0.980 25542 4355 1 15 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.454 -1.312 25542 4356 1 15 . 1 1 42 42 GLU H H 42 7.980 7.980 8.150 -0.170 25542 4357 1 15 . 1 1 43 43 PHE N N 43 119.824 119.824 120.740 -0.916 25542 4358 1 15 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.125 -0.011 25542 4359 1 15 . 1 1 43 43 PHE C C 43 175.299 175.299 178.368 -3.069 25542 4360 1 15 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.938 -0.275 25542 4361 1 15 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.413 0.794 25542 4362 1 15 . 1 1 43 43 PHE H H 43 8.717 8.717 8.660 0.057 25542 4363 1 15 . 1 1 44 44 HIS N N 44 116.534 116.534 117.474 -0.940 25542 4364 1 15 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.333 -0.052 25542 4365 1 15 . 1 1 44 44 HIS C C 44 174.771 174.771 178.033 -3.262 25542 4366 1 15 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.578 -1.040 25542 4367 1 15 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.727 -0.225 25542 4368 1 15 . 1 1 44 44 HIS H H 44 8.105 8.105 8.773 -0.668 25542 4369 1 15 . 1 1 45 45 ARG N N 45 120.875 120.875 120.309 0.566 25542 4370 1 15 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.010 -0.087 25542 4371 1 15 . 1 1 45 45 ARG C C 45 176.310 176.310 178.486 -2.176 25542 4372 1 15 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.801 -0.035 25542 4373 1 15 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.279 -0.000 25542 4374 1 15 . 1 1 45 45 ARG H H 45 8.278 8.278 8.547 -0.269 25542 4375 1 15 . 1 1 46 46 ARG N N 46 116.740 116.740 119.787 -3.047 25542 4376 1 15 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.072 -0.113 25542 4377 1 15 . 1 1 46 46 ARG C C 46 176.046 176.046 179.022 -2.976 25542 4378 1 15 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.110 -0.276 25542 4379 1 15 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.766 0.092 25542 4380 1 15 . 1 1 46 46 ARG H H 46 8.068 8.068 8.274 -0.206 25542 4381 1 15 . 1 1 47 47 LEU N N 47 120.441 120.441 119.239 1.202 25542 4382 1 15 . 1 1 47 47 LEU HA H 47 3.931 3.931 3.947 -0.016 25542 4383 1 15 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.713 2.053 25542 4384 1 15 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.617 0.008 25542 4385 1 15 . 1 1 47 47 LEU H H 47 7.868 7.868 8.311 -0.443 25542 4386 1 15 . 1 1 48 48 LYS N N 48 119.413 119.413 121.303 -1.890 25542 4387 1 15 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.185 -0.106 25542 4388 1 15 . 1 1 48 48 LYS C C 48 176.354 176.354 179.105 -2.751 25542 4389 1 15 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.066 -1.909 25542 4390 1 15 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.757 -0.693 25542 4391 1 15 . 1 1 48 48 LYS H H 48 7.784 7.784 8.361 -0.577 25542 4392 1 15 . 1 1 49 49 VAL N N 49 119.618 119.618 117.296 2.322 25542 4393 1 15 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.950 -0.122 25542 4394 1 15 . 1 1 49 49 VAL C C 49 174.195 174.195 177.769 -3.574 25542 4395 1 15 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.871 -0.952 25542 4396 1 15 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.083 1.226 25542 4397 1 15 . 1 1 49 49 VAL H H 49 7.767 7.767 8.220 -0.453 25542 4398 1 15 . 1 1 50 50 TYR N N 50 122.497 122.497 121.407 1.090 25542 4399 1 15 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.036 0.128 25542 4400 1 15 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.290 -2.988 25542 4401 1 15 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.443 -0.157 25542 4402 1 15 . 1 1 50 50 TYR H H 50 8.142 8.142 8.236 -0.094 25542 4403 1 15 . 1 1 51 51 HIS N N 51 119.002 119.002 116.760 2.242 25542 4404 1 15 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.242 -0.022 25542 4405 1 15 . 1 1 51 51 HIS C C 51 174.214 174.214 177.056 -2.842 25542 4406 1 15 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.453 -1.025 25542 4407 1 15 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.082 0.017 25542 4408 1 15 . 1 1 51 51 HIS H H 51 8.427 8.427 8.022 0.405 25542 4409 1 15 . 1 1 52 52 ALA N N 52 123.731 123.731 123.068 0.663 25542 4410 1 15 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.160 -0.019 25542 4411 1 15 . 1 1 52 52 ALA C C 52 176.134 176.134 179.741 -3.607 25542 4412 1 15 . 1 1 52 52 ALA CA C 52 54.098 54.098 54.822 -0.724 25542 4413 1 15 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.218 -0.023 25542 4414 1 15 . 1 1 52 52 ALA H H 52 8.072 8.072 8.149 -0.077 25542 4415 1 15 . 1 1 53 53 TRP N N 53 120.614 120.614 118.675 1.939 25542 4416 1 15 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.367 -0.018 25542 4417 1 15 . 1 1 53 53 TRP C C 53 173.394 173.394 177.524 -4.130 25542 4418 1 15 . 1 1 53 53 TRP CA C 53 58.776 58.776 60.942 -2.166 25542 4419 1 15 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.994 -0.333 25542 4420 1 15 . 1 1 53 53 TRP H H 53 8.045 8.045 8.394 -0.349 25542 4421 1 15 . 1 1 54 54 LYS N N 54 121.675 121.675 117.668 4.007 25542 4422 1 15 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.004 0.175 25542 4423 1 15 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.995 -1.906 25542 4424 1 15 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.120 -0.056 25542 4425 1 15 . 1 1 54 54 LYS H H 54 8.230 8.230 7.380 0.850 25542 4426 1 15 . 1 1 55 55 SER N N 55 114.683 114.683 114.178 0.505 25542 4427 1 15 . 1 1 55 55 SER HA H 55 4.163 4.163 4.280 -0.117 25542 4428 1 15 . 1 1 55 55 SER C C 55 177.387 177.387 176.167 1.220 25542 4429 1 15 . 1 1 55 55 SER CA C 55 59.440 59.440 60.669 -1.229 25542 4430 1 15 . 1 1 55 55 SER CB C 55 63.319 63.319 63.346 -0.027 25542 4431 1 15 . 1 1 55 55 SER H H 55 7.920 7.920 7.963 -0.043 25542 4432 1 15 . 1 1 56 56 LYS N N 56 122.086 122.086 122.304 -0.218 25542 4433 1 15 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.059 0.102 25542 4434 1 15 . 1 1 56 56 LYS C C 56 174.830 174.830 175.917 -1.087 25542 4435 1 15 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.654 0.415 25542 4436 1 15 . 1 1 56 56 LYS CB C 56 32.787 32.787 30.500 2.287 25542 4437 1 15 . 1 1 56 56 LYS H H 56 7.907 7.907 7.657 0.250 25542 4438 1 15 . 1 1 57 57 ASN N N 57 118.385 118.385 118.027 0.358 25542 4439 1 15 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.262 0.265 25542 4440 1 15 . 1 1 57 57 ASN C C 57 175.845 175.845 174.515 1.330 25542 4441 1 15 . 1 1 57 57 ASN CA C 57 53.348 53.348 55.863 -2.515 25542 4442 1 15 . 1 1 57 57 ASN CB C 57 38.842 38.842 37.978 0.864 25542 4443 1 15 . 1 1 57 57 ASN H H 57 8.019 8.019 8.739 -0.720 25542 4444 1 15 . 1 1 58 58 LYS N N 58 121.675 121.675 121.948 -0.273 25542 4445 1 15 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.396 -0.201 25542 4446 1 15 . 1 1 58 58 LYS C C 58 175.343 175.343 175.646 -0.303 25542 4447 1 15 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.417 0.072 25542 4448 1 15 . 1 1 58 58 LYS CB C 58 32.711 32.711 33.308 -0.597 25542 4449 1 15 . 1 1 58 58 LYS H H 58 8.039 8.039 8.162 -0.123 25542 4450 1 15 . 1 1 59 59 LYS N N 59 123.434 123.434 126.921 -3.487 25542 4451 1 15 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.297 -0.072 25542 4452 1 15 . 1 1 59 59 LYS C C 59 172.827 172.827 176.363 -3.536 25542 4453 1 15 . 1 1 59 59 LYS CA C 59 56.213 56.213 57.129 -0.916 25542 4454 1 15 . 1 1 59 59 LYS CB C 59 32.913 32.913 31.465 1.448 25542 4455 1 15 . 1 1 59 59 LYS H H 59 8.348 8.348 8.812 -0.464 25542 4456 1 16 . 1 1 10 10 THR N N 10 114.478 114.478 113.684 0.794 25542 4457 1 16 . 1 1 10 10 THR HA H 10 4.249 4.249 4.626 -0.377 25542 4458 1 16 . 1 1 10 10 THR C C 10 171.741 171.741 174.542 -2.801 25542 4459 1 16 . 1 1 10 10 THR CA C 10 62.036 62.036 61.405 0.631 25542 4460 1 16 . 1 1 10 10 THR CB C 10 69.784 69.784 69.977 -0.193 25542 4461 1 16 . 1 1 10 10 THR H H 10 8.118 8.118 8.101 0.017 25542 4462 1 16 . 1 1 11 11 LYS N N 11 124.759 124.759 121.234 3.525 25542 4463 1 16 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.490 -0.319 25542 4464 1 16 . 1 1 11 11 LYS C C 11 172.964 172.964 176.346 -3.382 25542 4465 1 16 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.132 0.053 25542 4466 1 16 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.753 -0.934 25542 4467 1 16 . 1 1 11 11 LYS H H 11 8.442 8.442 8.489 -0.047 25542 4468 1 16 . 1 1 12 12 LYS N N 12 123.320 123.320 122.496 0.824 25542 4469 1 16 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.219 -0.103 25542 4470 1 16 . 1 1 12 12 LYS C C 12 173.147 173.147 176.726 -3.579 25542 4471 1 16 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.701 -1.393 25542 4472 1 16 . 1 1 12 12 LYS CB C 12 33.205 33.205 33.084 0.121 25542 4473 1 16 . 1 1 12 12 LYS H H 12 8.239 8.239 8.665 -0.426 25542 4474 1 16 . 1 1 13 13 TYR N N 13 119.413 119.413 118.836 0.577 25542 4475 1 16 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.622 -0.210 25542 4476 1 16 . 1 1 13 13 TYR C C 13 172.016 172.016 174.287 -2.271 25542 4477 1 16 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.242 0.136 25542 4478 1 16 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.339 -0.393 25542 4479 1 16 . 1 1 13 13 TYR H H 13 8.286 8.286 7.821 0.465 25542 4480 1 16 . 1 1 14 14 ASP N N 14 120.647 120.647 121.234 -0.587 25542 4481 1 16 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.839 -0.152 25542 4482 1 16 . 1 1 14 14 ASP C C 14 173.276 173.276 174.889 -1.613 25542 4483 1 16 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.459 -1.823 25542 4484 1 16 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.197 -1.992 25542 4485 1 16 . 1 1 14 14 ASP H H 14 8.611 8.611 8.487 0.124 25542 4486 1 16 . 1 1 15 15 LEU N N 15 126.198 126.198 126.337 -0.139 25542 4487 1 16 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.765 -1.032 25542 4488 1 16 . 1 1 15 15 LEU C C 15 175.592 175.592 177.347 -1.755 25542 4489 1 16 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.252 -0.877 25542 4490 1 16 . 1 1 15 15 LEU CB C 15 39.946 39.946 40.950 -1.004 25542 4491 1 16 . 1 1 15 15 LEU H H 15 8.877 8.877 8.401 0.476 25542 4492 1 16 . 1 1 16 16 SER N N 16 116.464 116.464 117.144 -0.680 25542 4493 1 16 . 1 1 16 16 SER HA H 16 4.142 4.142 4.157 -0.015 25542 4494 1 16 . 1 1 16 16 SER C C 16 173.247 173.247 174.343 -1.096 25542 4495 1 16 . 1 1 16 16 SER CA C 16 61.699 61.699 60.505 1.194 25542 4496 1 16 . 1 1 16 16 SER CB C 16 62.708 62.708 63.635 -0.927 25542 4497 1 16 . 1 1 16 16 SER H H 16 8.132 8.132 8.352 -0.220 25542 4498 1 16 . 1 1 17 17 LYS N N 17 118.179 118.179 119.142 -0.963 25542 4499 1 16 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.598 -0.097 25542 4500 1 16 . 1 1 17 17 LYS C C 17 175.079 175.079 175.029 0.050 25542 4501 1 16 . 1 1 17 17 LYS CA C 17 55.194 55.194 55.975 -0.781 25542 4502 1 16 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.623 -1.570 25542 4503 1 16 . 1 1 17 17 LYS H H 17 8.496 8.496 8.091 0.405 25542 4504 1 16 . 1 1 18 18 TRP N N 18 121.857 121.857 123.764 -1.907 25542 4505 1 16 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.060 -0.468 25542 4506 1 16 . 1 1 18 18 TRP C C 18 174.862 174.862 176.142 -1.280 25542 4507 1 16 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.342 2.843 25542 4508 1 16 . 1 1 18 18 TRP CB C 18 28.632 28.632 31.981 -3.349 25542 4509 1 16 . 1 1 18 18 TRP H H 18 7.830 7.830 8.605 -0.775 25542 4510 1 16 . 1 1 19 19 LYS N N 19 123.014 123.014 119.688 3.326 25542 4511 1 16 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.487 0.058 25542 4512 1 16 . 1 1 19 19 LYS C C 19 175.094 175.094 177.531 -2.437 25542 4513 1 16 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.718 0.551 25542 4514 1 16 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.360 -0.269 25542 4515 1 16 . 1 1 19 19 LYS H H 19 9.533 9.533 8.204 1.329 25542 4516 1 16 . 1 1 20 20 TYR N N 20 124.553 124.553 120.855 3.698 25542 4517 1 16 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.148 -0.133 25542 4518 1 16 . 1 1 20 20 TYR C C 20 174.531 174.531 177.542 -3.011 25542 4519 1 16 . 1 1 20 20 TYR CA C 20 63.137 63.137 60.913 2.224 25542 4520 1 16 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.902 1.212 25542 4521 1 16 . 1 1 20 20 TYR H H 20 9.400 9.400 8.163 1.237 25542 4522 1 16 . 1 1 21 21 ALA N N 21 117.974 117.974 123.426 -5.452 25542 4523 1 16 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.159 -0.342 25542 4524 1 16 . 1 1 21 21 ALA C C 21 176.314 176.314 179.314 -3.000 25542 4525 1 16 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.473 -0.121 25542 4526 1 16 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.512 1.095 25542 4527 1 16 . 1 1 21 21 ALA H H 21 8.991 8.991 7.870 1.121 25542 4528 1 16 . 1 1 22 22 GLU N N 22 115.300 115.300 119.085 -3.785 25542 4529 1 16 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.984 0.123 25542 4530 1 16 . 1 1 22 22 GLU C C 22 177.380 177.380 179.130 -1.750 25542 4531 1 16 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.863 -0.433 25542 4532 1 16 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.688 1.182 25542 4533 1 16 . 1 1 22 22 GLU H H 22 6.842 6.842 8.450 -1.608 25542 4534 1 16 . 1 1 23 23 LEU N N 23 122.086 122.086 122.188 -0.102 25542 4535 1 16 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.237 -0.071 25542 4536 1 16 . 1 1 23 23 LEU C C 23 174.830 174.830 179.312 -4.482 25542 4537 1 16 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.794 -0.151 25542 4538 1 16 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.151 0.959 25542 4539 1 16 . 1 1 23 23 LEU H H 23 7.906 7.906 8.402 -0.496 25542 4540 1 16 . 1 1 24 24 ARG N N 24 117.974 117.974 119.077 -1.103 25542 4541 1 16 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.902 -0.243 25542 4542 1 16 . 1 1 24 24 ARG C C 24 175.240 175.240 178.437 -3.197 25542 4543 1 16 . 1 1 24 24 ARG CA C 24 59.031 59.031 60.038 -1.007 25542 4544 1 16 . 1 1 24 24 ARG CB C 24 29.834 29.834 30.200 -0.366 25542 4545 1 16 . 1 1 24 24 ARG H H 24 8.220 8.220 8.264 -0.044 25542 4546 1 16 . 1 1 25 25 ASP N N 25 118.179 118.179 118.173 0.006 25542 4547 1 16 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.408 -0.022 25542 4548 1 16 . 1 1 25 25 ASP C C 25 176.554 176.554 178.724 -2.170 25542 4549 1 16 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.617 -0.330 25542 4550 1 16 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.760 -0.718 25542 4551 1 16 . 1 1 25 25 ASP H H 25 8.482 8.482 8.352 0.130 25542 4552 1 16 . 1 1 26 26 THR N N 26 118.385 118.385 116.136 2.249 25542 4553 1 16 . 1 1 26 26 THR HA H 26 3.900 3.900 4.087 -0.187 25542 4554 1 16 . 1 1 26 26 THR C C 26 173.365 173.365 177.113 -3.748 25542 4555 1 16 . 1 1 26 26 THR CA C 26 67.774 67.774 66.834 0.940 25542 4556 1 16 . 1 1 26 26 THR CB C 26 67.779 67.779 68.898 -1.119 25542 4557 1 16 . 1 1 26 26 THR H H 26 7.930 7.930 8.535 -0.605 25542 4558 1 16 . 1 1 27 27 ILE N N 27 122.497 122.497 119.986 2.511 25542 4559 1 16 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.904 -0.259 25542 4560 1 16 . 1 1 27 27 ILE C C 27 174.485 174.485 176.110 -1.625 25542 4561 1 16 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.611 1.006 25542 4562 1 16 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.029 -0.377 25542 4563 1 16 . 1 1 27 27 ILE H H 27 8.145 8.145 8.042 0.103 25542 4564 1 16 . 1 1 28 28 ASN N N 28 115.095 115.095 115.739 -0.644 25542 4565 1 16 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.755 -0.133 25542 4566 1 16 . 1 1 28 28 ASN C C 28 173.902 173.902 176.148 -2.246 25542 4567 1 16 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.192 0.237 25542 4568 1 16 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.566 -0.397 25542 4569 1 16 . 1 1 28 28 ASN H H 28 7.700 7.700 8.141 -0.441 25542 4570 1 16 . 1 1 29 29 THR N N 29 107.692 107.692 111.498 -3.806 25542 4571 1 16 . 1 1 29 29 THR HA H 29 4.606 4.606 4.546 0.060 25542 4572 1 16 . 1 1 29 29 THR C C 29 172.290 172.290 175.210 -2.920 25542 4573 1 16 . 1 1 29 29 THR CA C 29 62.629 62.629 62.574 0.055 25542 4574 1 16 . 1 1 29 29 THR CB C 29 72.232 72.232 70.026 2.206 25542 4575 1 16 . 1 1 29 29 THR H H 29 7.592 7.592 8.139 -0.547 25542 4576 1 16 . 1 1 30 30 SER N N 30 117.670 117.670 118.094 -0.424 25542 4577 1 16 . 1 1 30 30 SER HA H 30 4.298 4.298 4.663 -0.365 25542 4578 1 16 . 1 1 30 30 SER C C 30 172.473 172.473 173.076 -0.603 25542 4579 1 16 . 1 1 30 30 SER CA C 30 59.633 59.633 58.612 1.021 25542 4580 1 16 . 1 1 30 30 SER CB C 30 64.278 64.278 64.464 -0.186 25542 4581 1 16 . 1 1 30 30 SER H H 30 8.701 8.701 8.218 0.483 25542 4582 1 16 . 1 1 31 31 CYS N N 31 121.263 121.263 119.716 1.547 25542 4583 1 16 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.670 0.111 25542 4584 1 16 . 1 1 31 31 CYS C C 31 170.861 170.861 172.371 -1.510 25542 4585 1 16 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.795 -1.390 25542 4586 1 16 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.124 -0.821 25542 4587 1 16 . 1 1 31 31 CYS H H 31 8.719 8.719 8.527 0.192 25542 4588 1 16 . 1 1 32 32 ASP N N 32 124.542 124.542 127.022 -2.480 25542 4589 1 16 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.722 -0.100 25542 4590 1 16 . 1 1 32 32 ASP C C 32 172.541 172.541 176.265 -3.724 25542 4591 1 16 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.865 -0.711 25542 4592 1 16 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.013 -1.772 25542 4593 1 16 . 1 1 32 32 ASP H H 32 8.551 8.551 8.357 0.194 25542 4594 1 16 . 1 1 33 33 ILE N N 33 125.170 125.170 121.678 3.492 25542 4595 1 16 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.572 0.122 25542 4596 1 16 . 1 1 33 33 ILE C C 33 175.743 175.743 176.917 -1.174 25542 4597 1 16 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.333 0.403 25542 4598 1 16 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.798 0.017 25542 4599 1 16 . 1 1 33 33 ILE H H 33 8.464 8.464 8.590 -0.126 25542 4600 1 16 . 1 1 34 34 GLU N N 34 121.058 121.058 119.303 1.755 25542 4601 1 16 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.789 0.353 25542 4602 1 16 . 1 1 34 34 GLU C C 34 176.406 176.406 178.344 -1.938 25542 4603 1 16 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.567 0.544 25542 4604 1 16 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.655 1.067 25542 4605 1 16 . 1 1 34 34 GLU H H 34 8.186 8.186 7.880 0.306 25542 4606 1 16 . 1 1 35 35 LEU N N 35 124.965 124.965 121.270 3.695 25542 4607 1 16 . 1 1 35 35 LEU HA H 35 3.635 3.635 4.000 -0.365 25542 4608 1 16 . 1 1 35 35 LEU C C 35 176.399 176.399 178.948 -2.549 25542 4609 1 16 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.486 -0.457 25542 4610 1 16 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.227 -0.245 25542 4611 1 16 . 1 1 35 35 LEU H H 35 7.849 7.849 7.949 -0.100 25542 4612 1 16 . 1 1 36 36 LEU N N 36 120.453 120.453 118.005 2.448 25542 4613 1 16 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.797 -0.118 25542 4614 1 16 . 1 1 36 36 LEU C C 36 176.280 176.280 178.889 -2.609 25542 4615 1 16 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.058 0.677 25542 4616 1 16 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.737 1.732 25542 4617 1 16 . 1 1 36 36 LEU H H 36 8.867 8.867 8.619 0.248 25542 4618 1 16 . 1 1 37 37 ALA N N 37 120.030 120.030 121.913 -1.883 25542 4619 1 16 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.786 0.222 25542 4620 1 16 . 1 1 37 37 ALA C C 37 177.606 177.606 179.020 -1.414 25542 4621 1 16 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.029 0.072 25542 4622 1 16 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.793 -0.152 25542 4623 1 16 . 1 1 37 37 ALA H H 37 7.624 7.624 7.866 -0.242 25542 4624 1 16 . 1 1 38 38 ALA N N 38 121.675 121.675 121.003 0.672 25542 4625 1 16 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.872 0.238 25542 4626 1 16 . 1 1 38 38 ALA C C 38 178.452 178.452 178.725 -0.273 25542 4627 1 16 . 1 1 38 38 ALA CA C 38 54.829 54.829 55.172 -0.343 25542 4628 1 16 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.110 -0.102 25542 4629 1 16 . 1 1 38 38 ALA H H 38 7.681 7.681 8.333 -0.652 25542 4630 1 16 . 1 1 39 39 CYS N N 39 119.413 119.413 117.750 1.663 25542 4631 1 16 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.886 -0.141 25542 4632 1 16 . 1 1 39 39 CYS C C 39 173.860 173.860 176.745 -2.885 25542 4633 1 16 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.719 0.100 25542 4634 1 16 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.525 -0.215 25542 4635 1 16 . 1 1 39 39 CYS H H 39 8.806 8.806 8.159 0.647 25542 4636 1 16 . 1 1 40 40 ARG N N 40 119.824 119.824 120.151 -0.327 25542 4637 1 16 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.889 0.030 25542 4638 1 16 . 1 1 40 40 ARG C C 40 176.108 176.108 178.299 -2.191 25542 4639 1 16 . 1 1 40 40 ARG CA C 40 60.532 60.532 59.912 0.620 25542 4640 1 16 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.048 -0.202 25542 4641 1 16 . 1 1 40 40 ARG H H 40 8.382 8.382 8.532 -0.150 25542 4642 1 16 . 1 1 41 41 GLU N N 41 119.618 119.618 118.503 1.115 25542 4643 1 16 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.029 0.058 25542 4644 1 16 . 1 1 41 41 GLU C C 41 171.786 171.786 179.337 -7.551 25542 4645 1 16 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.500 -0.300 25542 4646 1 16 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.028 0.249 25542 4647 1 16 . 1 1 41 41 GLU H H 41 7.949 7.949 8.218 -0.269 25542 4648 1 16 . 1 1 42 42 GLU N N 42 121.469 121.469 119.741 1.728 25542 4649 1 16 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.127 0.183 25542 4650 1 16 . 1 1 42 42 GLU C C 42 173.408 173.408 178.967 -5.559 25542 4651 1 16 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.173 -0.914 25542 4652 1 16 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.441 -1.299 25542 4653 1 16 . 1 1 42 42 GLU H H 42 7.980 7.980 8.402 -0.422 25542 4654 1 16 . 1 1 43 43 PHE N N 43 119.824 119.824 120.393 -0.569 25542 4655 1 16 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.174 -0.060 25542 4656 1 16 . 1 1 43 43 PHE C C 43 175.299 175.299 178.148 -2.849 25542 4657 1 16 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.430 -0.767 25542 4658 1 16 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.666 0.541 25542 4659 1 16 . 1 1 43 43 PHE H H 43 8.717 8.717 8.675 0.042 25542 4660 1 16 . 1 1 44 44 HIS N N 44 116.534 116.534 118.578 -2.044 25542 4661 1 16 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.222 0.059 25542 4662 1 16 . 1 1 44 44 HIS C C 44 174.771 174.771 177.784 -3.013 25542 4663 1 16 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.612 -1.075 25542 4664 1 16 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.142 -0.640 25542 4665 1 16 . 1 1 44 44 HIS H H 44 8.105 8.105 8.668 -0.563 25542 4666 1 16 . 1 1 45 45 ARG N N 45 120.875 120.875 119.399 1.476 25542 4667 1 16 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.057 -0.134 25542 4668 1 16 . 1 1 45 45 ARG C C 45 176.310 176.310 178.354 -2.044 25542 4669 1 16 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.635 0.131 25542 4670 1 16 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.272 0.007 25542 4671 1 16 . 1 1 45 45 ARG H H 45 8.278 8.278 8.326 -0.048 25542 4672 1 16 . 1 1 46 46 ARG N N 46 116.740 116.740 119.798 -3.058 25542 4673 1 16 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.009 -0.050 25542 4674 1 16 . 1 1 46 46 ARG C C 46 176.046 176.046 178.992 -2.946 25542 4675 1 16 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.710 -0.876 25542 4676 1 16 . 1 1 46 46 ARG CB C 46 29.858 29.858 30.005 -0.147 25542 4677 1 16 . 1 1 46 46 ARG H H 46 8.068 8.068 8.473 -0.405 25542 4678 1 16 . 1 1 47 47 LEU N N 47 120.441 120.441 118.832 1.609 25542 4679 1 16 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.096 -0.165 25542 4680 1 16 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.122 1.644 25542 4681 1 16 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.584 0.041 25542 4682 1 16 . 1 1 47 47 LEU H H 47 7.868 7.868 8.245 -0.377 25542 4683 1 16 . 1 1 48 48 LYS N N 48 119.413 119.413 120.561 -1.148 25542 4684 1 16 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.047 0.032 25542 4685 1 16 . 1 1 48 48 LYS C C 48 176.354 176.354 179.186 -2.832 25542 4686 1 16 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.553 -1.395 25542 4687 1 16 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.167 -0.103 25542 4688 1 16 . 1 1 48 48 LYS H H 48 7.784 7.784 7.994 -0.210 25542 4689 1 16 . 1 1 49 49 VAL N N 49 119.618 119.618 117.531 2.087 25542 4690 1 16 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.866 -0.038 25542 4691 1 16 . 1 1 49 49 VAL C C 49 174.195 174.195 177.799 -3.604 25542 4692 1 16 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.742 -0.823 25542 4693 1 16 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.826 1.483 25542 4694 1 16 . 1 1 49 49 VAL H H 49 7.767 7.767 8.096 -0.329 25542 4695 1 16 . 1 1 50 50 TYR N N 50 122.497 122.497 121.329 1.168 25542 4696 1 16 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.008 0.156 25542 4697 1 16 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.546 -2.244 25542 4698 1 16 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.437 -0.151 25542 4699 1 16 . 1 1 50 50 TYR H H 50 8.142 8.142 8.152 -0.010 25542 4700 1 16 . 1 1 51 51 HIS N N 51 119.002 119.002 114.044 4.958 25542 4701 1 16 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.614 -0.394 25542 4702 1 16 . 1 1 51 51 HIS C C 51 174.214 174.214 176.112 -1.898 25542 4703 1 16 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.421 -0.993 25542 4704 1 16 . 1 1 51 51 HIS CB C 51 30.099 30.099 31.031 -0.932 25542 4705 1 16 . 1 1 51 51 HIS H H 51 8.427 8.427 8.222 0.205 25542 4706 1 16 . 1 1 52 52 ALA N N 52 123.731 123.731 121.810 1.921 25542 4707 1 16 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.453 -0.312 25542 4708 1 16 . 1 1 52 52 ALA C C 52 176.134 176.134 177.422 -1.288 25542 4709 1 16 . 1 1 52 52 ALA CA C 52 54.098 54.098 51.647 2.451 25542 4710 1 16 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.703 -0.508 25542 4711 1 16 . 1 1 52 52 ALA H H 52 8.072 8.072 7.924 0.148 25542 4712 1 16 . 1 1 53 53 TRP N N 53 120.614 120.614 119.600 1.014 25542 4713 1 16 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.367 -0.018 25542 4714 1 16 . 1 1 53 53 TRP C C 53 173.394 173.394 175.654 -2.260 25542 4715 1 16 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.035 -0.258 25542 4716 1 16 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.313 -0.652 25542 4717 1 16 . 1 1 53 53 TRP H H 53 8.045 8.045 8.176 -0.131 25542 4718 1 16 . 1 1 54 54 LYS N N 54 121.675 121.675 117.775 3.900 25542 4719 1 16 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.009 0.170 25542 4720 1 16 . 1 1 54 54 LYS CA C 54 56.089 56.089 58.199 -2.110 25542 4721 1 16 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.042 0.022 25542 4722 1 16 . 1 1 54 54 LYS H H 54 8.230 8.230 7.622 0.608 25542 4723 1 16 . 1 1 55 55 SER N N 55 114.683 114.683 115.382 -0.699 25542 4724 1 16 . 1 1 55 55 SER HA H 55 4.163 4.163 4.451 -0.288 25542 4725 1 16 . 1 1 55 55 SER C C 55 177.387 177.387 174.078 3.309 25542 4726 1 16 . 1 1 55 55 SER CA C 55 59.440 59.440 57.770 1.670 25542 4727 1 16 . 1 1 55 55 SER CB C 55 63.319 63.319 62.316 1.003 25542 4728 1 16 . 1 1 55 55 SER H H 55 7.920 7.920 7.975 -0.055 25542 4729 1 16 . 1 1 56 56 LYS N N 56 122.086 122.086 124.680 -2.594 25542 4730 1 16 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.206 -0.045 25542 4731 1 16 . 1 1 56 56 LYS C C 56 174.830 174.830 176.633 -1.803 25542 4732 1 16 . 1 1 56 56 LYS CA C 56 57.069 57.069 55.845 1.224 25542 4733 1 16 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.013 -0.226 25542 4734 1 16 . 1 1 56 56 LYS H H 56 7.907 7.907 7.534 0.373 25542 4735 1 16 . 1 1 57 57 ASN N N 57 118.385 118.385 121.024 -2.639 25542 4736 1 16 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.678 -0.151 25542 4737 1 16 . 1 1 57 57 ASN C C 57 175.845 175.845 176.176 -0.331 25542 4738 1 16 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.834 -0.486 25542 4739 1 16 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.555 0.287 25542 4740 1 16 . 1 1 57 57 ASN H H 57 8.019 8.019 8.624 -0.605 25542 4741 1 16 . 1 1 58 58 LYS N N 58 121.675 121.675 120.258 1.417 25542 4742 1 16 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.277 -0.082 25542 4743 1 16 . 1 1 58 58 LYS C C 58 175.343 175.343 175.614 -0.271 25542 4744 1 16 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.185 0.304 25542 4745 1 16 . 1 1 58 58 LYS CB C 58 32.711 32.711 30.427 2.284 25542 4746 1 16 . 1 1 58 58 LYS H H 58 8.039 8.039 8.361 -0.322 25542 4747 1 16 . 1 1 59 59 LYS N N 59 123.434 123.434 119.129 4.305 25542 4748 1 16 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.475 -0.250 25542 4749 1 16 . 1 1 59 59 LYS C C 59 172.827 172.827 175.395 -2.568 25542 4750 1 16 . 1 1 59 59 LYS CA C 59 56.213 56.213 54.921 1.292 25542 4751 1 16 . 1 1 59 59 LYS CB C 59 32.913 32.913 34.651 -1.738 25542 4752 1 16 . 1 1 59 59 LYS H H 59 8.348 8.348 7.639 0.709 25542 4753 1 17 . 1 1 10 10 THR N N 10 114.478 114.478 113.809 0.669 25542 4754 1 17 . 1 1 10 10 THR HA H 10 4.249 4.249 4.368 -0.119 25542 4755 1 17 . 1 1 10 10 THR C C 10 171.741 171.741 174.966 -3.225 25542 4756 1 17 . 1 1 10 10 THR CA C 10 62.036 62.036 61.420 0.616 25542 4757 1 17 . 1 1 10 10 THR CB C 10 69.784 69.784 70.370 -0.586 25542 4758 1 17 . 1 1 10 10 THR H H 10 8.118 8.118 7.771 0.347 25542 4759 1 17 . 1 1 11 11 LYS N N 11 124.759 124.759 123.532 1.227 25542 4760 1 17 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.121 0.050 25542 4761 1 17 . 1 1 11 11 LYS C C 11 172.964 172.964 177.473 -4.509 25542 4762 1 17 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.712 -0.527 25542 4763 1 17 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.101 0.718 25542 4764 1 17 . 1 1 11 11 LYS H H 11 8.442 8.442 8.442 -0.000 25542 4765 1 17 . 1 1 12 12 LYS N N 12 123.320 123.320 123.237 0.083 25542 4766 1 17 . 1 1 12 12 LYS HA H 12 4.116 4.116 3.975 0.141 25542 4767 1 17 . 1 1 12 12 LYS C C 12 173.147 173.147 176.991 -3.844 25542 4768 1 17 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.105 -1.797 25542 4769 1 17 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.572 0.633 25542 4770 1 17 . 1 1 12 12 LYS H H 12 8.239 8.239 8.457 -0.218 25542 4771 1 17 . 1 1 13 13 TYR N N 13 119.413 119.413 118.322 1.091 25542 4772 1 17 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.612 -0.200 25542 4773 1 17 . 1 1 13 13 TYR C C 13 172.016 172.016 174.740 -2.724 25542 4774 1 17 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.961 -0.583 25542 4775 1 17 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.682 -0.737 25542 4776 1 17 . 1 1 13 13 TYR H H 13 8.286 8.286 7.804 0.482 25542 4777 1 17 . 1 1 14 14 ASP N N 14 120.647 120.647 122.919 -2.272 25542 4778 1 17 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.885 -0.198 25542 4779 1 17 . 1 1 14 14 ASP C C 14 173.276 173.276 175.259 -1.983 25542 4780 1 17 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.197 -1.562 25542 4781 1 17 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.003 -1.798 25542 4782 1 17 . 1 1 14 14 ASP H H 14 8.611 8.611 8.494 0.117 25542 4783 1 17 . 1 1 15 15 LEU N N 15 126.198 126.198 126.352 -0.154 25542 4784 1 17 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.716 -0.983 25542 4785 1 17 . 1 1 15 15 LEU C C 15 175.592 175.592 177.345 -1.753 25542 4786 1 17 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.200 -0.825 25542 4787 1 17 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.261 -1.315 25542 4788 1 17 . 1 1 15 15 LEU H H 15 8.877 8.877 8.405 0.472 25542 4789 1 17 . 1 1 16 16 SER N N 16 116.464 116.464 117.205 -0.741 25542 4790 1 17 . 1 1 16 16 SER HA H 16 4.142 4.142 4.182 -0.040 25542 4791 1 17 . 1 1 16 16 SER C C 16 173.247 173.247 174.478 -1.231 25542 4792 1 17 . 1 1 16 16 SER CA C 16 61.699 61.699 60.609 1.090 25542 4793 1 17 . 1 1 16 16 SER CB C 16 62.708 62.708 63.505 -0.797 25542 4794 1 17 . 1 1 16 16 SER H H 16 8.132 8.132 8.449 -0.317 25542 4795 1 17 . 1 1 17 17 LYS N N 17 118.179 118.179 119.360 -1.181 25542 4796 1 17 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.509 -0.008 25542 4797 1 17 . 1 1 17 17 LYS C C 17 175.079 175.079 175.356 -0.277 25542 4798 1 17 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.159 -0.965 25542 4799 1 17 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.951 -1.898 25542 4800 1 17 . 1 1 17 17 LYS H H 17 8.496 8.496 8.130 0.366 25542 4801 1 17 . 1 1 18 18 TRP N N 18 121.857 121.857 123.151 -1.294 25542 4802 1 17 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.996 -0.404 25542 4803 1 17 . 1 1 18 18 TRP C C 18 174.862 174.862 176.074 -1.212 25542 4804 1 17 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.081 3.104 25542 4805 1 17 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.125 -3.493 25542 4806 1 17 . 1 1 18 18 TRP H H 18 7.830 7.830 8.396 -0.566 25542 4807 1 17 . 1 1 19 19 LYS N N 19 123.014 123.014 119.704 3.310 25542 4808 1 17 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.681 -0.136 25542 4809 1 17 . 1 1 19 19 LYS C C 19 175.094 175.094 177.141 -2.047 25542 4810 1 17 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.156 1.113 25542 4811 1 17 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.568 -0.477 25542 4812 1 17 . 1 1 19 19 LYS H H 19 9.533 9.533 9.492 0.041 25542 4813 1 17 . 1 1 20 20 TYR N N 20 124.553 124.553 125.796 -1.243 25542 4814 1 17 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.050 -0.035 25542 4815 1 17 . 1 1 20 20 TYR C C 20 174.531 174.531 177.170 -2.639 25542 4816 1 17 . 1 1 20 20 TYR CA C 20 63.137 63.137 63.020 0.117 25542 4817 1 17 . 1 1 20 20 TYR CB C 20 38.114 38.114 38.336 -0.222 25542 4818 1 17 . 1 1 20 20 TYR H H 20 9.400 9.400 9.148 0.252 25542 4819 1 17 . 1 1 21 21 ALA N N 21 117.974 117.974 121.772 -3.798 25542 4820 1 17 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.077 -0.260 25542 4821 1 17 . 1 1 21 21 ALA C C 21 176.314 176.314 179.016 -2.702 25542 4822 1 17 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.566 -0.214 25542 4823 1 17 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.444 1.163 25542 4824 1 17 . 1 1 21 21 ALA H H 21 8.991 8.991 8.514 0.477 25542 4825 1 17 . 1 1 22 22 GLU N N 22 115.300 115.300 119.220 -3.920 25542 4826 1 17 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.983 0.124 25542 4827 1 17 . 1 1 22 22 GLU C C 22 177.380 177.380 179.123 -1.743 25542 4828 1 17 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.813 -0.383 25542 4829 1 17 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.719 1.151 25542 4830 1 17 . 1 1 22 22 GLU H H 22 6.842 6.842 8.514 -1.672 25542 4831 1 17 . 1 1 23 23 LEU N N 23 122.086 122.086 121.972 0.114 25542 4832 1 17 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.209 -0.043 25542 4833 1 17 . 1 1 23 23 LEU C C 23 174.830 174.830 179.099 -4.269 25542 4834 1 17 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.367 0.276 25542 4835 1 17 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.040 1.071 25542 4836 1 17 . 1 1 23 23 LEU H H 23 7.906 7.906 8.735 -0.829 25542 4837 1 17 . 1 1 24 24 ARG N N 24 117.974 117.974 118.853 -0.879 25542 4838 1 17 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.743 -0.084 25542 4839 1 17 . 1 1 24 24 ARG C C 24 175.240 175.240 178.262 -3.022 25542 4840 1 17 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.719 -0.688 25542 4841 1 17 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.818 0.016 25542 4842 1 17 . 1 1 24 24 ARG H H 24 8.220 8.220 7.949 0.271 25542 4843 1 17 . 1 1 25 25 ASP N N 25 118.179 118.179 118.039 0.140 25542 4844 1 17 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.364 0.022 25542 4845 1 17 . 1 1 25 25 ASP C C 25 176.554 176.554 178.640 -2.086 25542 4846 1 17 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.517 -0.230 25542 4847 1 17 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.673 -0.631 25542 4848 1 17 . 1 1 25 25 ASP H H 25 8.482 8.482 8.336 0.146 25542 4849 1 17 . 1 1 26 26 THR N N 26 118.385 118.385 116.127 2.258 25542 4850 1 17 . 1 1 26 26 THR HA H 26 3.900 3.900 4.065 -0.165 25542 4851 1 17 . 1 1 26 26 THR C C 26 173.365 173.365 177.070 -3.705 25542 4852 1 17 . 1 1 26 26 THR CA C 26 67.774 67.774 66.782 0.992 25542 4853 1 17 . 1 1 26 26 THR CB C 26 67.779 67.779 68.879 -1.100 25542 4854 1 17 . 1 1 26 26 THR H H 26 7.930 7.930 8.416 -0.486 25542 4855 1 17 . 1 1 27 27 ILE N N 27 122.497 122.497 119.931 2.566 25542 4856 1 17 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.851 -0.206 25542 4857 1 17 . 1 1 27 27 ILE C C 27 174.485 174.485 176.089 -1.604 25542 4858 1 17 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.588 1.030 25542 4859 1 17 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.930 -0.278 25542 4860 1 17 . 1 1 27 27 ILE H H 27 8.145 8.145 7.930 0.215 25542 4861 1 17 . 1 1 28 28 ASN N N 28 115.095 115.095 115.418 -0.323 25542 4862 1 17 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.715 -0.093 25542 4863 1 17 . 1 1 28 28 ASN C C 28 173.902 173.902 176.095 -2.193 25542 4864 1 17 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.056 0.373 25542 4865 1 17 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.723 -0.554 25542 4866 1 17 . 1 1 28 28 ASN H H 28 7.700 7.700 8.047 -0.347 25542 4867 1 17 . 1 1 29 29 THR N N 29 107.692 107.692 109.734 -2.042 25542 4868 1 17 . 1 1 29 29 THR HA H 29 4.606 4.606 4.544 0.062 25542 4869 1 17 . 1 1 29 29 THR C C 29 172.290 172.290 175.333 -3.043 25542 4870 1 17 . 1 1 29 29 THR CA C 29 62.629 62.629 62.273 0.356 25542 4871 1 17 . 1 1 29 29 THR CB C 29 72.232 72.232 70.240 1.992 25542 4872 1 17 . 1 1 29 29 THR H H 29 7.592 7.592 8.195 -0.603 25542 4873 1 17 . 1 1 30 30 SER N N 30 117.670 117.670 118.427 -0.757 25542 4874 1 17 . 1 1 30 30 SER HA H 30 4.298 4.298 4.659 -0.361 25542 4875 1 17 . 1 1 30 30 SER C C 30 172.473 172.473 173.032 -0.559 25542 4876 1 17 . 1 1 30 30 SER CA C 30 59.633 59.633 58.936 0.697 25542 4877 1 17 . 1 1 30 30 SER CB C 30 64.278 64.278 64.633 -0.355 25542 4878 1 17 . 1 1 30 30 SER H H 30 8.701 8.701 8.217 0.484 25542 4879 1 17 . 1 1 31 31 CYS N N 31 121.263 121.263 119.347 1.916 25542 4880 1 17 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.667 0.114 25542 4881 1 17 . 1 1 31 31 CYS C C 31 170.861 170.861 172.463 -1.602 25542 4882 1 17 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.314 -1.909 25542 4883 1 17 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.953 -0.650 25542 4884 1 17 . 1 1 31 31 CYS H H 31 8.719 8.719 8.377 0.342 25542 4885 1 17 . 1 1 32 32 ASP N N 32 124.542 124.542 126.974 -2.432 25542 4886 1 17 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.759 -0.137 25542 4887 1 17 . 1 1 32 32 ASP C C 32 172.541 172.541 176.657 -4.116 25542 4888 1 17 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.139 -0.985 25542 4889 1 17 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.950 -1.709 25542 4890 1 17 . 1 1 32 32 ASP H H 32 8.551 8.551 8.222 0.329 25542 4891 1 17 . 1 1 33 33 ILE N N 33 125.170 125.170 121.861 3.309 25542 4892 1 17 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.562 0.132 25542 4893 1 17 . 1 1 33 33 ILE C C 33 175.743 175.743 176.920 -1.177 25542 4894 1 17 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.165 0.571 25542 4895 1 17 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.796 0.019 25542 4896 1 17 . 1 1 33 33 ILE H H 33 8.464 8.464 8.600 -0.136 25542 4897 1 17 . 1 1 34 34 GLU N N 34 121.058 121.058 119.312 1.746 25542 4898 1 17 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.792 0.350 25542 4899 1 17 . 1 1 34 34 GLU C C 34 176.406 176.406 178.290 -1.884 25542 4900 1 17 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.601 0.510 25542 4901 1 17 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.771 0.951 25542 4902 1 17 . 1 1 34 34 GLU H H 34 8.186 8.186 7.823 0.363 25542 4903 1 17 . 1 1 35 35 LEU N N 35 124.965 124.965 121.245 3.720 25542 4904 1 17 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.877 -0.242 25542 4905 1 17 . 1 1 35 35 LEU C C 35 176.399 176.399 178.878 -2.479 25542 4906 1 17 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.430 -0.401 25542 4907 1 17 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.167 -0.185 25542 4908 1 17 . 1 1 35 35 LEU H H 35 7.849 7.849 7.856 -0.007 25542 4909 1 17 . 1 1 36 36 LEU N N 36 120.453 120.453 117.906 2.547 25542 4910 1 17 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.768 -0.089 25542 4911 1 17 . 1 1 36 36 LEU C C 36 176.280 176.280 178.854 -2.574 25542 4912 1 17 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.002 0.733 25542 4913 1 17 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.692 1.777 25542 4914 1 17 . 1 1 36 36 LEU H H 36 8.867 8.867 8.668 0.199 25542 4915 1 17 . 1 1 37 37 ALA N N 37 120.030 120.030 122.077 -2.047 25542 4916 1 17 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.769 0.239 25542 4917 1 17 . 1 1 37 37 ALA C C 37 177.606 177.606 179.007 -1.401 25542 4918 1 17 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.035 0.066 25542 4919 1 17 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.752 -0.111 25542 4920 1 17 . 1 1 37 37 ALA H H 37 7.624 7.624 7.869 -0.245 25542 4921 1 17 . 1 1 38 38 ALA N N 38 121.675 121.675 120.539 1.136 25542 4922 1 17 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.933 0.177 25542 4923 1 17 . 1 1 38 38 ALA C C 38 178.452 178.452 179.030 -0.578 25542 4924 1 17 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.846 -0.017 25542 4925 1 17 . 1 1 38 38 ALA CB C 38 18.008 18.008 17.921 0.087 25542 4926 1 17 . 1 1 38 38 ALA H H 38 7.681 7.681 8.347 -0.666 25542 4927 1 17 . 1 1 39 39 CYS N N 39 119.413 119.413 117.728 1.685 25542 4928 1 17 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.878 -0.133 25542 4929 1 17 . 1 1 39 39 CYS C C 39 173.860 173.860 176.798 -2.938 25542 4930 1 17 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.238 0.581 25542 4931 1 17 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.457 -0.148 25542 4932 1 17 . 1 1 39 39 CYS H H 39 8.806 8.806 8.053 0.753 25542 4933 1 17 . 1 1 40 40 ARG N N 40 119.824 119.824 120.302 -0.478 25542 4934 1 17 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.927 -0.008 25542 4935 1 17 . 1 1 40 40 ARG C C 40 176.108 176.108 178.498 -2.390 25542 4936 1 17 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.039 0.493 25542 4937 1 17 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.033 -0.187 25542 4938 1 17 . 1 1 40 40 ARG H H 40 8.382 8.382 8.609 -0.227 25542 4939 1 17 . 1 1 41 41 GLU N N 41 119.618 119.618 118.314 1.304 25542 4940 1 17 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.028 0.059 25542 4941 1 17 . 1 1 41 41 GLU C C 41 171.786 171.786 179.301 -7.515 25542 4942 1 17 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.522 -0.322 25542 4943 1 17 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.062 0.215 25542 4944 1 17 . 1 1 41 41 GLU H H 41 7.949 7.949 8.203 -0.254 25542 4945 1 17 . 1 1 42 42 GLU N N 42 121.469 121.469 119.378 2.091 25542 4946 1 17 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.170 0.140 25542 4947 1 17 . 1 1 42 42 GLU C C 42 173.408 173.408 179.353 -5.945 25542 4948 1 17 . 1 1 42 42 GLU CA C 42 58.259 58.259 58.993 -0.735 25542 4949 1 17 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.379 -1.237 25542 4950 1 17 . 1 1 42 42 GLU H H 42 7.980 7.980 8.123 -0.143 25542 4951 1 17 . 1 1 43 43 PHE N N 43 119.824 119.824 121.192 -1.368 25542 4952 1 17 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.093 0.021 25542 4953 1 17 . 1 1 43 43 PHE C C 43 175.299 175.299 177.770 -2.471 25542 4954 1 17 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.013 -0.350 25542 4955 1 17 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.864 0.343 25542 4956 1 17 . 1 1 43 43 PHE H H 43 8.717 8.717 8.650 0.067 25542 4957 1 17 . 1 1 44 44 HIS N N 44 116.534 116.534 117.778 -1.244 25542 4958 1 17 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.235 0.046 25542 4959 1 17 . 1 1 44 44 HIS C C 44 174.771 174.771 177.824 -3.053 25542 4960 1 17 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.644 -1.107 25542 4961 1 17 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.829 -0.327 25542 4962 1 17 . 1 1 44 44 HIS H H 44 8.105 8.105 8.839 -0.735 25542 4963 1 17 . 1 1 45 45 ARG N N 45 120.875 120.875 120.037 0.838 25542 4964 1 17 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.011 -0.088 25542 4965 1 17 . 1 1 45 45 ARG C C 45 176.310 176.310 178.361 -2.051 25542 4966 1 17 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.909 -0.143 25542 4967 1 17 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.179 0.100 25542 4968 1 17 . 1 1 45 45 ARG H H 45 8.278 8.278 8.527 -0.249 25542 4969 1 17 . 1 1 46 46 ARG N N 46 116.740 116.740 119.457 -2.717 25542 4970 1 17 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.111 -0.152 25542 4971 1 17 . 1 1 46 46 ARG C C 46 176.046 176.046 179.034 -2.988 25542 4972 1 17 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.344 -0.510 25542 4973 1 17 . 1 1 46 46 ARG CB C 46 29.858 29.858 30.077 -0.219 25542 4974 1 17 . 1 1 46 46 ARG H H 46 8.068 8.068 8.077 -0.009 25542 4975 1 17 . 1 1 47 47 LEU N N 47 120.441 120.441 120.281 0.160 25542 4976 1 17 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.043 -0.112 25542 4977 1 17 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.870 1.896 25542 4978 1 17 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.638 -0.013 25542 4979 1 17 . 1 1 47 47 LEU H H 47 7.868 7.868 8.380 -0.512 25542 4980 1 17 . 1 1 48 48 LYS N N 48 119.413 119.413 120.954 -1.541 25542 4981 1 17 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.191 -0.112 25542 4982 1 17 . 1 1 48 48 LYS C C 48 176.354 176.354 179.212 -2.858 25542 4983 1 17 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.349 -1.192 25542 4984 1 17 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.344 -0.280 25542 4985 1 17 . 1 1 48 48 LYS H H 48 7.784 7.784 8.459 -0.675 25542 4986 1 17 . 1 1 49 49 VAL N N 49 119.618 119.618 116.838 2.780 25542 4987 1 17 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.793 0.035 25542 4988 1 17 . 1 1 49 49 VAL C C 49 174.195 174.195 177.950 -3.755 25542 4989 1 17 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.254 -1.335 25542 4990 1 17 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.625 0.683 25542 4991 1 17 . 1 1 49 49 VAL H H 49 7.767 7.767 8.088 -0.322 25542 4992 1 17 . 1 1 50 50 TYR N N 50 122.497 122.497 120.612 1.885 25542 4993 1 17 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.018 0.146 25542 4994 1 17 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.715 -2.413 25542 4995 1 17 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.498 -0.212 25542 4996 1 17 . 1 1 50 50 TYR H H 50 8.142 8.142 8.222 -0.080 25542 4997 1 17 . 1 1 51 51 HIS N N 51 119.002 119.002 116.998 2.004 25542 4998 1 17 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.521 -0.301 25542 4999 1 17 . 1 1 51 51 HIS C C 51 174.214 174.214 176.467 -2.253 25542 5000 1 17 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.609 -1.181 25542 5001 1 17 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.708 -0.609 25542 5002 1 17 . 1 1 51 51 HIS H H 51 8.427 8.427 8.233 0.194 25542 5003 1 17 . 1 1 52 52 ALA N N 52 123.731 123.731 121.315 2.416 25542 5004 1 17 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.428 -0.287 25542 5005 1 17 . 1 1 52 52 ALA C C 52 176.134 176.134 178.243 -2.109 25542 5006 1 17 . 1 1 52 52 ALA CA C 52 54.098 54.098 52.147 1.951 25542 5007 1 17 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.341 -0.146 25542 5008 1 17 . 1 1 52 52 ALA H H 52 8.072 8.072 8.204 -0.132 25542 5009 1 17 . 1 1 53 53 TRP N N 53 120.614 120.614 119.993 0.621 25542 5010 1 17 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.252 0.097 25542 5011 1 17 . 1 1 53 53 TRP C C 53 173.394 173.394 175.078 -1.684 25542 5012 1 17 . 1 1 53 53 TRP CA C 53 58.776 58.776 58.830 -0.054 25542 5013 1 17 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.466 -0.805 25542 5014 1 17 . 1 1 53 53 TRP H H 53 8.045 8.045 7.543 0.502 25542 5015 1 17 . 1 1 54 54 LYS N N 54 121.675 121.675 118.725 2.950 25542 5016 1 17 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.906 0.273 25542 5017 1 17 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.389 -1.300 25542 5018 1 17 . 1 1 54 54 LYS CB C 54 32.064 32.064 31.114 0.950 25542 5019 1 17 . 1 1 54 54 LYS H H 54 8.230 8.230 7.946 0.284 25542 5020 1 17 . 1 1 55 55 SER N N 55 114.683 114.683 118.014 -3.331 25542 5021 1 17 . 1 1 55 55 SER HA H 55 4.163 4.163 4.547 -0.384 25542 5022 1 17 . 1 1 55 55 SER C C 55 177.387 177.387 174.876 2.511 25542 5023 1 17 . 1 1 55 55 SER CA C 55 59.440 59.440 57.733 1.707 25542 5024 1 17 . 1 1 55 55 SER CB C 55 63.319 63.319 64.788 -1.469 25542 5025 1 17 . 1 1 55 55 SER H H 55 7.920 7.920 8.279 -0.359 25542 5026 1 17 . 1 1 56 56 LYS N N 56 122.086 122.086 124.875 -2.789 25542 5027 1 17 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.121 0.040 25542 5028 1 17 . 1 1 56 56 LYS C C 56 174.830 174.830 176.398 -1.568 25542 5029 1 17 . 1 1 56 56 LYS CA C 56 57.069 57.069 57.169 -0.100 25542 5030 1 17 . 1 1 56 56 LYS CB C 56 32.787 32.787 32.553 0.234 25542 5031 1 17 . 1 1 56 56 LYS H H 56 7.907 7.907 8.612 -0.705 25542 5032 1 17 . 1 1 57 57 ASN N N 57 118.385 118.385 116.138 2.247 25542 5033 1 17 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.450 0.077 25542 5034 1 17 . 1 1 57 57 ASN C C 57 175.845 175.845 174.378 1.467 25542 5035 1 17 . 1 1 57 57 ASN CA C 57 53.348 53.348 54.099 -0.751 25542 5036 1 17 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.765 0.077 25542 5037 1 17 . 1 1 57 57 ASN H H 57 8.019 8.019 7.656 0.363 25542 5038 1 17 . 1 1 58 58 LYS N N 58 121.675 121.675 120.366 1.309 25542 5039 1 17 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.402 -0.207 25542 5040 1 17 . 1 1 58 58 LYS C C 58 175.343 175.343 175.047 0.296 25542 5041 1 17 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.364 0.125 25542 5042 1 17 . 1 1 58 58 LYS CB C 58 32.711 32.711 33.447 -0.736 25542 5043 1 17 . 1 1 58 58 LYS H H 58 8.039 8.039 8.518 -0.478 25542 5044 1 17 . 1 1 59 59 LYS N N 59 123.434 123.434 125.266 -1.832 25542 5045 1 17 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.586 -0.361 25542 5046 1 17 . 1 1 59 59 LYS C C 59 172.827 172.827 176.710 -3.883 25542 5047 1 17 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.074 0.139 25542 5048 1 17 . 1 1 59 59 LYS CB C 59 32.913 32.913 31.116 1.797 25542 5049 1 17 . 1 1 59 59 LYS H H 59 8.348 8.348 8.610 -0.262 25542 5050 1 18 . 1 1 10 10 THR N N 10 114.478 114.478 114.349 0.129 25542 5051 1 18 . 1 1 10 10 THR HA H 10 4.249 4.249 4.362 -0.113 25542 5052 1 18 . 1 1 10 10 THR C C 10 171.741 171.741 175.056 -3.315 25542 5053 1 18 . 1 1 10 10 THR CA C 10 62.036 62.036 61.654 0.382 25542 5054 1 18 . 1 1 10 10 THR CB C 10 69.784 69.784 70.841 -1.057 25542 5055 1 18 . 1 1 10 10 THR H H 10 8.118 8.118 7.957 0.161 25542 5056 1 18 . 1 1 11 11 LYS N N 11 124.759 124.759 121.561 3.198 25542 5057 1 18 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.266 -0.095 25542 5058 1 18 . 1 1 11 11 LYS C C 11 172.964 172.964 176.998 -4.034 25542 5059 1 18 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.216 -0.031 25542 5060 1 18 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.155 0.664 25542 5061 1 18 . 1 1 11 11 LYS H H 11 8.442 8.442 8.571 -0.129 25542 5062 1 18 . 1 1 12 12 LYS N N 12 123.320 123.320 119.218 4.102 25542 5063 1 18 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.101 0.015 25542 5064 1 18 . 1 1 12 12 LYS C C 12 173.147 173.147 177.022 -3.875 25542 5065 1 18 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.126 -1.818 25542 5066 1 18 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.536 0.669 25542 5067 1 18 . 1 1 12 12 LYS H H 12 8.239 8.239 8.055 0.184 25542 5068 1 18 . 1 1 13 13 TYR N N 13 119.413 119.413 117.020 2.393 25542 5069 1 18 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.628 -0.216 25542 5070 1 18 . 1 1 13 13 TYR C C 13 172.016 172.016 174.422 -2.406 25542 5071 1 18 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.874 -0.496 25542 5072 1 18 . 1 1 13 13 TYR CB C 13 39.946 39.946 41.409 -1.463 25542 5073 1 18 . 1 1 13 13 TYR H H 13 8.286 8.286 8.050 0.236 25542 5074 1 18 . 1 1 14 14 ASP N N 14 120.647 120.647 122.873 -2.226 25542 5075 1 18 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.813 -0.126 25542 5076 1 18 . 1 1 14 14 ASP C C 14 173.276 173.276 175.028 -1.752 25542 5077 1 18 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.346 -1.710 25542 5078 1 18 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.420 -2.216 25542 5079 1 18 . 1 1 14 14 ASP H H 14 8.611 8.611 8.501 0.110 25542 5080 1 18 . 1 1 15 15 LEU N N 15 126.198 126.198 126.041 0.157 25542 5081 1 18 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.730 -0.997 25542 5082 1 18 . 1 1 15 15 LEU C C 15 175.592 175.592 177.146 -1.554 25542 5083 1 18 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.787 -0.412 25542 5084 1 18 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.012 -1.066 25542 5085 1 18 . 1 1 15 15 LEU H H 15 8.877 8.877 8.388 0.489 25542 5086 1 18 . 1 1 16 16 SER N N 16 116.464 116.464 117.465 -1.001 25542 5087 1 18 . 1 1 16 16 SER HA H 16 4.142 4.142 4.079 0.063 25542 5088 1 18 . 1 1 16 16 SER C C 16 173.247 173.247 174.341 -1.094 25542 5089 1 18 . 1 1 16 16 SER CA C 16 61.699 61.699 61.070 0.629 25542 5090 1 18 . 1 1 16 16 SER CB C 16 62.708 62.708 63.712 -1.004 25542 5091 1 18 . 1 1 16 16 SER H H 16 8.132 8.132 8.264 -0.132 25542 5092 1 18 . 1 1 17 17 LYS N N 17 118.179 118.179 118.634 -0.455 25542 5093 1 18 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.563 -0.062 25542 5094 1 18 . 1 1 17 17 LYS C C 17 175.079 175.079 175.380 -0.301 25542 5095 1 18 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.518 -1.324 25542 5096 1 18 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.305 -1.252 25542 5097 1 18 . 1 1 17 17 LYS H H 17 8.496 8.496 7.997 0.499 25542 5098 1 18 . 1 1 18 18 TRP N N 18 121.857 121.857 125.514 -3.657 25542 5099 1 18 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.993 -0.401 25542 5100 1 18 . 1 1 18 18 TRP C C 18 174.862 174.862 175.267 -0.405 25542 5101 1 18 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.477 2.708 25542 5102 1 18 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.148 -3.516 25542 5103 1 18 . 1 1 18 18 TRP H H 18 7.830 7.830 8.643 -0.813 25542 5104 1 18 . 1 1 19 19 LYS N N 19 123.014 123.014 120.476 2.538 25542 5105 1 18 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.511 0.034 25542 5106 1 18 . 1 1 19 19 LYS C C 19 175.094 175.094 177.484 -2.390 25542 5107 1 18 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.504 0.765 25542 5108 1 18 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.914 -0.823 25542 5109 1 18 . 1 1 19 19 LYS H H 19 9.533 9.533 8.710 0.823 25542 5110 1 18 . 1 1 20 20 TYR N N 20 124.553 124.553 122.958 1.595 25542 5111 1 18 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.181 -0.166 25542 5112 1 18 . 1 1 20 20 TYR C C 20 174.531 174.531 177.148 -2.617 25542 5113 1 18 . 1 1 20 20 TYR CA C 20 63.137 63.137 62.787 0.350 25542 5114 1 18 . 1 1 20 20 TYR CB C 20 38.114 38.114 38.317 -0.203 25542 5115 1 18 . 1 1 20 20 TYR H H 20 9.400 9.400 8.816 0.584 25542 5116 1 18 . 1 1 21 21 ALA N N 21 117.974 117.974 122.035 -4.061 25542 5117 1 18 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.016 -0.199 25542 5118 1 18 . 1 1 21 21 ALA C C 21 176.314 176.314 179.086 -2.772 25542 5119 1 18 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.528 -0.176 25542 5120 1 18 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.389 1.218 25542 5121 1 18 . 1 1 21 21 ALA H H 21 8.991 8.991 8.548 0.443 25542 5122 1 18 . 1 1 22 22 GLU N N 22 115.300 115.300 118.940 -3.640 25542 5123 1 18 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.976 0.131 25542 5124 1 18 . 1 1 22 22 GLU C C 22 177.380 177.380 179.057 -1.677 25542 5125 1 18 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.824 -0.394 25542 5126 1 18 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.729 1.141 25542 5127 1 18 . 1 1 22 22 GLU H H 22 6.842 6.842 8.562 -1.720 25542 5128 1 18 . 1 1 23 23 LEU N N 23 122.086 122.086 122.075 0.011 25542 5129 1 18 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.182 -0.016 25542 5130 1 18 . 1 1 23 23 LEU C C 23 174.830 174.830 179.298 -4.468 25542 5131 1 18 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.613 0.030 25542 5132 1 18 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.057 1.054 25542 5133 1 18 . 1 1 23 23 LEU H H 23 7.906 7.906 8.311 -0.405 25542 5134 1 18 . 1 1 24 24 ARG N N 24 117.974 117.974 118.673 -0.699 25542 5135 1 18 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.787 -0.128 25542 5136 1 18 . 1 1 24 24 ARG C C 24 175.240 175.240 178.212 -2.972 25542 5137 1 18 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.261 -0.230 25542 5138 1 18 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.587 0.247 25542 5139 1 18 . 1 1 24 24 ARG H H 24 8.220 8.220 7.938 0.282 25542 5140 1 18 . 1 1 25 25 ASP N N 25 118.179 118.179 117.983 0.196 25542 5141 1 18 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.356 0.030 25542 5142 1 18 . 1 1 25 25 ASP C C 25 176.554 176.554 178.465 -1.911 25542 5143 1 18 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.482 -0.195 25542 5144 1 18 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.737 -0.695 25542 5145 1 18 . 1 1 25 25 ASP H H 25 8.482 8.482 8.248 0.234 25542 5146 1 18 . 1 1 26 26 THR N N 26 118.385 118.385 116.378 2.007 25542 5147 1 18 . 1 1 26 26 THR HA H 26 3.900 3.900 4.072 -0.172 25542 5148 1 18 . 1 1 26 26 THR C C 26 173.365 173.365 176.925 -3.560 25542 5149 1 18 . 1 1 26 26 THR CA C 26 67.774 67.774 67.012 0.762 25542 5150 1 18 . 1 1 26 26 THR CB C 26 67.779 67.779 69.042 -1.263 25542 5151 1 18 . 1 1 26 26 THR H H 26 7.930 7.930 8.473 -0.543 25542 5152 1 18 . 1 1 27 27 ILE N N 27 122.497 122.497 119.242 3.255 25542 5153 1 18 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.870 -0.225 25542 5154 1 18 . 1 1 27 27 ILE C C 27 174.485 174.485 175.966 -1.481 25542 5155 1 18 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.328 1.290 25542 5156 1 18 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.969 -0.318 25542 5157 1 18 . 1 1 27 27 ILE H H 27 8.145 8.145 7.917 0.228 25542 5158 1 18 . 1 1 28 28 ASN N N 28 115.095 115.095 115.498 -0.403 25542 5159 1 18 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.738 -0.116 25542 5160 1 18 . 1 1 28 28 ASN C C 28 173.902 173.902 175.941 -2.039 25542 5161 1 18 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.127 0.302 25542 5162 1 18 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.585 -0.416 25542 5163 1 18 . 1 1 28 28 ASN H H 28 7.700 7.700 8.107 -0.407 25542 5164 1 18 . 1 1 29 29 THR N N 29 107.692 107.692 109.495 -1.803 25542 5165 1 18 . 1 1 29 29 THR HA H 29 4.606 4.606 4.515 0.091 25542 5166 1 18 . 1 1 29 29 THR C C 29 172.290 172.290 175.361 -3.071 25542 5167 1 18 . 1 1 29 29 THR CA C 29 62.629 62.629 62.307 0.322 25542 5168 1 18 . 1 1 29 29 THR CB C 29 72.232 72.232 70.065 2.167 25542 5169 1 18 . 1 1 29 29 THR H H 29 7.592 7.592 8.120 -0.528 25542 5170 1 18 . 1 1 30 30 SER N N 30 117.670 117.670 117.915 -0.245 25542 5171 1 18 . 1 1 30 30 SER HA H 30 4.298 4.298 4.630 -0.332 25542 5172 1 18 . 1 1 30 30 SER C C 30 172.473 172.473 172.837 -0.364 25542 5173 1 18 . 1 1 30 30 SER CA C 30 59.633 59.633 58.533 1.100 25542 5174 1 18 . 1 1 30 30 SER CB C 30 64.278 64.278 64.745 -0.467 25542 5175 1 18 . 1 1 30 30 SER H H 30 8.701 8.701 7.996 0.705 25542 5176 1 18 . 1 1 31 31 CYS N N 31 121.263 121.263 119.358 1.905 25542 5177 1 18 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.611 0.170 25542 5178 1 18 . 1 1 31 31 CYS C C 31 170.861 170.861 172.330 -1.469 25542 5179 1 18 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.821 -1.416 25542 5180 1 18 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.991 -0.688 25542 5181 1 18 . 1 1 31 31 CYS H H 31 8.719 8.719 8.461 0.258 25542 5182 1 18 . 1 1 32 32 ASP N N 32 124.542 124.542 127.036 -2.494 25542 5183 1 18 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.722 -0.100 25542 5184 1 18 . 1 1 32 32 ASP C C 32 172.541 172.541 176.245 -3.704 25542 5185 1 18 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.960 -0.806 25542 5186 1 18 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.057 -1.816 25542 5187 1 18 . 1 1 32 32 ASP H H 32 8.551 8.551 8.353 0.198 25542 5188 1 18 . 1 1 33 33 ILE N N 33 125.170 125.170 121.806 3.364 25542 5189 1 18 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.565 0.129 25542 5190 1 18 . 1 1 33 33 ILE C C 33 175.743 175.743 176.925 -1.182 25542 5191 1 18 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.217 0.519 25542 5192 1 18 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.792 0.023 25542 5193 1 18 . 1 1 33 33 ILE H H 33 8.464 8.464 8.599 -0.135 25542 5194 1 18 . 1 1 34 34 GLU N N 34 121.058 121.058 119.129 1.929 25542 5195 1 18 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.774 0.368 25542 5196 1 18 . 1 1 34 34 GLU C C 34 176.406 176.406 178.079 -1.673 25542 5197 1 18 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.494 0.617 25542 5198 1 18 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.974 0.748 25542 5199 1 18 . 1 1 34 34 GLU H H 34 8.186 8.186 7.808 0.378 25542 5200 1 18 . 1 1 35 35 LEU N N 35 124.965 124.965 121.258 3.707 25542 5201 1 18 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.896 -0.261 25542 5202 1 18 . 1 1 35 35 LEU C C 35 176.399 176.399 178.872 -2.473 25542 5203 1 18 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.434 -0.405 25542 5204 1 18 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.154 -0.172 25542 5205 1 18 . 1 1 35 35 LEU H H 35 7.849 7.849 7.868 -0.019 25542 5206 1 18 . 1 1 36 36 LEU N N 36 120.453 120.453 117.969 2.484 25542 5207 1 18 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.754 -0.075 25542 5208 1 18 . 1 1 36 36 LEU C C 36 176.280 176.280 178.879 -2.599 25542 5209 1 18 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.024 0.711 25542 5210 1 18 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.709 1.760 25542 5211 1 18 . 1 1 36 36 LEU H H 36 8.867 8.867 8.583 0.284 25542 5212 1 18 . 1 1 37 37 ALA N N 37 120.030 120.030 121.592 -1.562 25542 5213 1 18 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.809 0.199 25542 5214 1 18 . 1 1 37 37 ALA C C 37 177.606 177.606 179.374 -1.768 25542 5215 1 18 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.083 0.018 25542 5216 1 18 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.740 -0.099 25542 5217 1 18 . 1 1 37 37 ALA H H 37 7.624 7.624 7.859 -0.235 25542 5218 1 18 . 1 1 38 38 ALA N N 38 121.675 121.675 121.372 0.303 25542 5219 1 18 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.859 0.251 25542 5220 1 18 . 1 1 38 38 ALA C C 38 178.452 178.452 178.840 -0.388 25542 5221 1 18 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.927 -0.098 25542 5222 1 18 . 1 1 38 38 ALA CB C 38 18.008 18.008 17.997 0.011 25542 5223 1 18 . 1 1 38 38 ALA H H 38 7.681 7.681 8.316 -0.635 25542 5224 1 18 . 1 1 39 39 CYS N N 39 119.413 119.413 117.389 2.024 25542 5225 1 18 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.814 -0.069 25542 5226 1 18 . 1 1 39 39 CYS C C 39 173.860 173.860 177.069 -3.209 25542 5227 1 18 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.483 0.336 25542 5228 1 18 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.361 -0.052 25542 5229 1 18 . 1 1 39 39 CYS H H 39 8.806 8.806 8.172 0.634 25542 5230 1 18 . 1 1 40 40 ARG N N 40 119.824 119.824 119.063 0.761 25542 5231 1 18 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.863 0.056 25542 5232 1 18 . 1 1 40 40 ARG C C 40 176.108 176.108 178.513 -2.405 25542 5233 1 18 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.214 0.318 25542 5234 1 18 . 1 1 40 40 ARG CB C 40 29.846 29.846 30.115 -0.269 25542 5235 1 18 . 1 1 40 40 ARG H H 40 8.382 8.382 8.434 -0.052 25542 5236 1 18 . 1 1 41 41 GLU N N 41 119.618 119.618 119.044 0.574 25542 5237 1 18 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.038 0.049 25542 5238 1 18 . 1 1 41 41 GLU C C 41 171.786 171.786 179.217 -7.431 25542 5239 1 18 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.879 -0.679 25542 5240 1 18 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.302 -0.025 25542 5241 1 18 . 1 1 41 41 GLU H H 41 7.949 7.949 8.254 -0.305 25542 5242 1 18 . 1 1 42 42 GLU N N 42 121.469 121.469 119.666 1.803 25542 5243 1 18 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.165 0.145 25542 5244 1 18 . 1 1 42 42 GLU C C 42 173.408 173.408 179.108 -5.700 25542 5245 1 18 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.153 -0.894 25542 5246 1 18 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.337 -1.196 25542 5247 1 18 . 1 1 42 42 GLU H H 42 7.980 7.980 8.127 -0.147 25542 5248 1 18 . 1 1 43 43 PHE N N 43 119.824 119.824 120.712 -0.888 25542 5249 1 18 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.036 0.078 25542 5250 1 18 . 1 1 43 43 PHE C C 43 175.299 175.299 177.934 -2.635 25542 5251 1 18 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.955 -0.292 25542 5252 1 18 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.533 0.674 25542 5253 1 18 . 1 1 43 43 PHE H H 43 8.717 8.717 8.722 -0.005 25542 5254 1 18 . 1 1 44 44 HIS N N 44 116.534 116.534 117.336 -0.802 25542 5255 1 18 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.262 0.019 25542 5256 1 18 . 1 1 44 44 HIS C C 44 174.771 174.771 177.985 -3.214 25542 5257 1 18 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.645 -1.108 25542 5258 1 18 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.676 -0.174 25542 5259 1 18 . 1 1 44 44 HIS H H 44 8.105 8.105 8.657 -0.552 25542 5260 1 18 . 1 1 45 45 ARG N N 45 120.875 120.875 120.172 0.703 25542 5261 1 18 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.015 -0.092 25542 5262 1 18 . 1 1 45 45 ARG C C 45 176.310 176.310 178.629 -2.319 25542 5263 1 18 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.600 0.166 25542 5264 1 18 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.232 0.047 25542 5265 1 18 . 1 1 45 45 ARG H H 45 8.278 8.278 8.456 -0.178 25542 5266 1 18 . 1 1 46 46 ARG N N 46 116.740 116.740 118.676 -1.936 25542 5267 1 18 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.021 -0.062 25542 5268 1 18 . 1 1 46 46 ARG C C 46 176.046 176.046 179.158 -3.112 25542 5269 1 18 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.052 -0.218 25542 5270 1 18 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.659 0.199 25542 5271 1 18 . 1 1 46 46 ARG H H 46 8.068 8.068 8.675 -0.607 25542 5272 1 18 . 1 1 47 47 LEU N N 47 120.441 120.441 120.929 -0.488 25542 5273 1 18 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.179 -0.248 25542 5274 1 18 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.965 1.801 25542 5275 1 18 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.962 -0.337 25542 5276 1 18 . 1 1 47 47 LEU H H 47 7.868 7.868 8.280 -0.412 25542 5277 1 18 . 1 1 48 48 LYS N N 48 119.413 119.413 120.091 -0.678 25542 5278 1 18 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.034 0.045 25542 5279 1 18 . 1 1 48 48 LYS C C 48 176.354 176.354 179.192 -2.838 25542 5280 1 18 . 1 1 48 48 LYS CA C 48 58.157 58.157 60.362 -2.205 25542 5281 1 18 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.551 -0.487 25542 5282 1 18 . 1 1 48 48 LYS H H 48 7.784 7.784 8.167 -0.383 25542 5283 1 18 . 1 1 49 49 VAL N N 49 119.618 119.618 117.863 1.755 25542 5284 1 18 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.804 0.024 25542 5285 1 18 . 1 1 49 49 VAL C C 49 174.195 174.195 177.694 -3.499 25542 5286 1 18 . 1 1 49 49 VAL CA C 49 64.919 64.919 65.945 -1.026 25542 5287 1 18 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.016 1.293 25542 5288 1 18 . 1 1 49 49 VAL H H 49 7.767 7.767 8.403 -0.636 25542 5289 1 18 . 1 1 50 50 TYR N N 50 122.497 122.497 121.209 1.288 25542 5290 1 18 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.029 0.135 25542 5291 1 18 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.411 -3.109 25542 5292 1 18 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.342 -0.056 25542 5293 1 18 . 1 1 50 50 TYR H H 50 8.142 8.142 8.142 0.000 25542 5294 1 18 . 1 1 51 51 HIS N N 51 119.002 119.002 118.437 0.565 25542 5295 1 18 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.196 0.024 25542 5296 1 18 . 1 1 51 51 HIS C C 51 174.214 174.214 177.014 -2.800 25542 5297 1 18 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.720 -1.292 25542 5298 1 18 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.218 -0.119 25542 5299 1 18 . 1 1 51 51 HIS H H 51 8.427 8.427 8.395 0.032 25542 5300 1 18 . 1 1 52 52 ALA N N 52 123.731 123.731 122.179 1.552 25542 5301 1 18 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.214 -0.073 25542 5302 1 18 . 1 1 52 52 ALA C C 52 176.134 176.134 178.850 -2.716 25542 5303 1 18 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.966 0.132 25542 5304 1 18 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.186 0.009 25542 5305 1 18 . 1 1 52 52 ALA H H 52 8.072 8.072 8.006 0.066 25542 5306 1 18 . 1 1 53 53 TRP N N 53 120.614 120.614 119.989 0.625 25542 5307 1 18 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.309 0.040 25542 5308 1 18 . 1 1 53 53 TRP C C 53 173.394 173.394 177.380 -3.986 25542 5309 1 18 . 1 1 53 53 TRP CA C 53 58.776 58.776 60.430 -1.654 25542 5310 1 18 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.363 -0.702 25542 5311 1 18 . 1 1 53 53 TRP H H 53 8.045 8.045 8.206 -0.161 25542 5312 1 18 . 1 1 54 54 LYS N N 54 121.675 121.675 116.589 5.086 25542 5313 1 18 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.021 0.158 25542 5314 1 18 . 1 1 54 54 LYS CA C 54 56.089 56.089 56.687 -0.598 25542 5315 1 18 . 1 1 54 54 LYS CB C 54 32.064 32.064 33.663 -1.599 25542 5316 1 18 . 1 1 54 54 LYS H H 54 8.230 8.230 7.494 0.736 25542 5317 1 18 . 1 1 55 55 SER N N 55 114.683 114.683 114.005 0.678 25542 5318 1 18 . 1 1 55 55 SER HA H 55 4.163 4.163 3.934 0.229 25542 5319 1 18 . 1 1 55 55 SER C C 55 177.387 177.387 174.073 3.314 25542 5320 1 18 . 1 1 55 55 SER CA C 55 59.440 59.440 60.417 -0.978 25542 5321 1 18 . 1 1 55 55 SER CB C 55 63.319 63.319 62.596 0.723 25542 5322 1 18 . 1 1 55 55 SER H H 55 7.920 7.920 7.848 0.072 25542 5323 1 18 . 1 1 56 56 LYS N N 56 122.086 122.086 121.032 1.054 25542 5324 1 18 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.388 -0.227 25542 5325 1 18 . 1 1 56 56 LYS C C 56 174.830 174.830 174.102 0.728 25542 5326 1 18 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.309 0.760 25542 5327 1 18 . 1 1 56 56 LYS CB C 56 32.787 32.787 34.109 -1.322 25542 5328 1 18 . 1 1 56 56 LYS H H 56 7.907 7.907 8.204 -0.297 25542 5329 1 18 . 1 1 57 57 ASN N N 57 118.385 118.385 120.180 -1.795 25542 5330 1 18 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.747 -0.221 25542 5331 1 18 . 1 1 57 57 ASN C C 57 175.845 175.845 175.388 0.457 25542 5332 1 18 . 1 1 57 57 ASN CA C 57 53.348 53.348 52.949 0.399 25542 5333 1 18 . 1 1 57 57 ASN CB C 57 38.842 38.842 39.304 -0.462 25542 5334 1 18 . 1 1 57 57 ASN H H 57 8.019 8.019 8.438 -0.419 25542 5335 1 18 . 1 1 58 58 LYS N N 58 121.675 121.675 122.697 -1.022 25542 5336 1 18 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.194 0.001 25542 5337 1 18 . 1 1 58 58 LYS C C 58 175.343 175.343 176.071 -0.728 25542 5338 1 18 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.292 0.197 25542 5339 1 18 . 1 1 58 58 LYS CB C 58 32.711 32.711 31.218 1.492 25542 5340 1 18 . 1 1 58 58 LYS H H 58 8.039 8.039 8.505 -0.466 25542 5341 1 18 . 1 1 59 59 LYS N N 59 123.434 123.434 122.476 0.958 25542 5342 1 18 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.169 0.056 25542 5343 1 18 . 1 1 59 59 LYS C C 59 172.827 172.827 176.092 -3.265 25542 5344 1 18 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.232 -0.019 25542 5345 1 18 . 1 1 59 59 LYS CB C 59 32.913 32.913 30.939 1.974 25542 5346 1 18 . 1 1 59 59 LYS H H 59 8.348 8.348 8.422 -0.074 25542 5347 1 19 . 1 1 10 10 THR N N 10 114.478 114.478 116.924 -2.446 25542 5348 1 19 . 1 1 10 10 THR HA H 10 4.249 4.249 4.265 -0.016 25542 5349 1 19 . 1 1 10 10 THR C C 10 171.741 171.741 175.044 -3.303 25542 5350 1 19 . 1 1 10 10 THR CA C 10 62.036 62.036 62.001 0.035 25542 5351 1 19 . 1 1 10 10 THR CB C 10 69.784 69.784 69.941 -0.157 25542 5352 1 19 . 1 1 10 10 THR H H 10 8.118 8.118 7.809 0.309 25542 5353 1 19 . 1 1 11 11 LYS N N 11 124.759 124.759 120.919 3.840 25542 5354 1 19 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.607 -0.436 25542 5355 1 19 . 1 1 11 11 LYS C C 11 172.964 172.964 178.069 -5.105 25542 5356 1 19 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.676 -0.491 25542 5357 1 19 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.096 -0.277 25542 5358 1 19 . 1 1 11 11 LYS H H 11 8.442 8.442 8.431 0.011 25542 5359 1 19 . 1 1 12 12 LYS N N 12 123.320 123.320 120.280 3.040 25542 5360 1 19 . 1 1 12 12 LYS HA H 12 4.116 4.116 3.970 0.146 25542 5361 1 19 . 1 1 12 12 LYS C C 12 173.147 173.147 177.173 -4.026 25542 5362 1 19 . 1 1 12 12 LYS CA C 12 56.308 56.308 58.759 -2.451 25542 5363 1 19 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.675 0.531 25542 5364 1 19 . 1 1 12 12 LYS H H 12 8.239 8.239 7.671 0.568 25542 5365 1 19 . 1 1 13 13 TYR N N 13 119.413 119.413 117.143 2.270 25542 5366 1 19 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.561 -0.149 25542 5367 1 19 . 1 1 13 13 TYR C C 13 172.016 172.016 174.614 -2.598 25542 5368 1 19 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.964 -0.586 25542 5369 1 19 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.899 -0.953 25542 5370 1 19 . 1 1 13 13 TYR H H 13 8.286 8.286 7.877 0.409 25542 5371 1 19 . 1 1 14 14 ASP N N 14 120.647 120.647 123.301 -2.654 25542 5372 1 19 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.989 -0.302 25542 5373 1 19 . 1 1 14 14 ASP C C 14 173.276 173.276 174.813 -1.537 25542 5374 1 19 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.183 -1.547 25542 5375 1 19 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.663 -2.458 25542 5376 1 19 . 1 1 14 14 ASP H H 14 8.611 8.611 8.538 0.073 25542 5377 1 19 . 1 1 15 15 LEU N N 15 126.198 126.198 124.959 1.239 25542 5378 1 19 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.686 -0.953 25542 5379 1 19 . 1 1 15 15 LEU C C 15 175.592 175.592 177.574 -1.982 25542 5380 1 19 . 1 1 15 15 LEU CA C 15 53.375 53.375 53.990 -0.615 25542 5381 1 19 . 1 1 15 15 LEU CB C 15 39.946 39.946 42.137 -2.191 25542 5382 1 19 . 1 1 15 15 LEU H H 15 8.877 8.877 8.390 0.487 25542 5383 1 19 . 1 1 16 16 SER N N 16 116.464 116.464 117.546 -1.082 25542 5384 1 19 . 1 1 16 16 SER HA H 16 4.142 4.142 4.156 -0.014 25542 5385 1 19 . 1 1 16 16 SER C C 16 173.247 173.247 174.379 -1.132 25542 5386 1 19 . 1 1 16 16 SER CA C 16 61.699 61.699 60.885 0.814 25542 5387 1 19 . 1 1 16 16 SER CB C 16 62.708 62.708 63.564 -0.856 25542 5388 1 19 . 1 1 16 16 SER H H 16 8.132 8.132 8.281 -0.149 25542 5389 1 19 . 1 1 17 17 LYS N N 17 118.179 118.179 119.745 -1.566 25542 5390 1 19 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.593 -0.092 25542 5391 1 19 . 1 1 17 17 LYS C C 17 175.079 175.079 175.051 0.028 25542 5392 1 19 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.029 -0.835 25542 5393 1 19 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.661 -1.608 25542 5394 1 19 . 1 1 17 17 LYS H H 17 8.496 8.496 8.088 0.408 25542 5395 1 19 . 1 1 18 18 TRP N N 18 121.857 121.857 124.581 -2.724 25542 5396 1 19 . 1 1 18 18 TRP HA H 18 4.592 4.592 5.114 -0.522 25542 5397 1 19 . 1 1 18 18 TRP C C 18 174.862 174.862 175.557 -0.695 25542 5398 1 19 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.227 2.958 25542 5399 1 19 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.292 -3.660 25542 5400 1 19 . 1 1 18 18 TRP H H 18 7.830 7.830 8.816 -0.986 25542 5401 1 19 . 1 1 19 19 LYS N N 19 123.014 123.014 120.088 2.926 25542 5402 1 19 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.584 -0.039 25542 5403 1 19 . 1 1 19 19 LYS C C 19 175.094 175.094 177.483 -2.389 25542 5404 1 19 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.856 0.413 25542 5405 1 19 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.518 -0.427 25542 5406 1 19 . 1 1 19 19 LYS H H 19 9.533 9.533 8.700 0.833 25542 5407 1 19 . 1 1 20 20 TYR N N 20 124.553 124.553 121.211 3.342 25542 5408 1 19 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.181 -0.166 25542 5409 1 19 . 1 1 20 20 TYR C C 20 174.531 174.531 177.237 -2.706 25542 5410 1 19 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.547 1.591 25542 5411 1 19 . 1 1 20 20 TYR CB C 20 38.114 38.114 37.089 1.025 25542 5412 1 19 . 1 1 20 20 TYR H H 20 9.400 9.400 8.662 0.738 25542 5413 1 19 . 1 1 21 21 ALA N N 21 117.974 117.974 122.342 -4.368 25542 5414 1 19 . 1 1 21 21 ALA HA H 21 3.817 3.817 3.897 -0.080 25542 5415 1 19 . 1 1 21 21 ALA C C 21 176.314 176.314 179.220 -2.906 25542 5416 1 19 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.262 0.090 25542 5417 1 19 . 1 1 21 21 ALA CB C 21 18.607 18.607 16.953 1.654 25542 5418 1 19 . 1 1 21 21 ALA H H 21 8.991 8.991 6.895 2.096 25542 5419 1 19 . 1 1 22 22 GLU N N 22 115.300 115.300 118.390 -3.090 25542 5420 1 19 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.971 0.136 25542 5421 1 19 . 1 1 22 22 GLU C C 22 177.380 177.380 179.074 -1.694 25542 5422 1 19 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.727 -0.297 25542 5423 1 19 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.721 1.149 25542 5424 1 19 . 1 1 22 22 GLU H H 22 6.842 6.842 8.371 -1.529 25542 5425 1 19 . 1 1 23 23 LEU N N 23 122.086 122.086 122.252 -0.166 25542 5426 1 19 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.222 -0.056 25542 5427 1 19 . 1 1 23 23 LEU C C 23 174.830 174.830 179.176 -4.346 25542 5428 1 19 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.718 -0.075 25542 5429 1 19 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.207 0.904 25542 5430 1 19 . 1 1 23 23 LEU H H 23 7.906 7.906 8.188 -0.282 25542 5431 1 19 . 1 1 24 24 ARG N N 24 117.974 117.974 117.942 0.032 25542 5432 1 19 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.931 -0.272 25542 5433 1 19 . 1 1 24 24 ARG C C 24 175.240 175.240 178.402 -3.162 25542 5434 1 19 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.321 -0.290 25542 5435 1 19 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.532 0.302 25542 5436 1 19 . 1 1 24 24 ARG H H 24 8.220 8.220 8.342 -0.122 25542 5437 1 19 . 1 1 25 25 ASP N N 25 118.179 118.179 120.059 -1.880 25542 5438 1 19 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.424 -0.038 25542 5439 1 19 . 1 1 25 25 ASP C C 25 176.554 176.554 178.408 -1.854 25542 5440 1 19 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.248 0.039 25542 5441 1 19 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.657 -0.615 25542 5442 1 19 . 1 1 25 25 ASP H H 25 8.482 8.482 8.382 0.100 25542 5443 1 19 . 1 1 26 26 THR N N 26 118.385 118.385 116.384 2.001 25542 5444 1 19 . 1 1 26 26 THR HA H 26 3.900 3.900 4.101 -0.201 25542 5445 1 19 . 1 1 26 26 THR C C 26 173.365 173.365 176.931 -3.566 25542 5446 1 19 . 1 1 26 26 THR CA C 26 67.774 67.774 66.980 0.794 25542 5447 1 19 . 1 1 26 26 THR CB C 26 67.779 67.779 69.071 -1.292 25542 5448 1 19 . 1 1 26 26 THR H H 26 7.930 7.930 8.528 -0.598 25542 5449 1 19 . 1 1 27 27 ILE N N 27 122.497 122.497 119.328 3.169 25542 5450 1 19 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.889 -0.244 25542 5451 1 19 . 1 1 27 27 ILE C C 27 174.485 174.485 176.019 -1.534 25542 5452 1 19 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.334 1.284 25542 5453 1 19 . 1 1 27 27 ILE CB C 27 37.652 37.652 37.965 -0.313 25542 5454 1 19 . 1 1 27 27 ILE H H 27 8.145 8.145 7.897 0.248 25542 5455 1 19 . 1 1 28 28 ASN N N 28 115.095 115.095 115.637 -0.542 25542 5456 1 19 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.758 -0.136 25542 5457 1 19 . 1 1 28 28 ASN C C 28 173.902 173.902 176.008 -2.106 25542 5458 1 19 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.195 0.234 25542 5459 1 19 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.658 -0.489 25542 5460 1 19 . 1 1 28 28 ASN H H 28 7.700 7.700 8.168 -0.468 25542 5461 1 19 . 1 1 29 29 THR N N 29 107.692 107.692 110.627 -2.935 25542 5462 1 19 . 1 1 29 29 THR HA H 29 4.606 4.606 4.500 0.106 25542 5463 1 19 . 1 1 29 29 THR C C 29 172.290 172.290 175.426 -3.136 25542 5464 1 19 . 1 1 29 29 THR CA C 29 62.629 62.629 62.420 0.209 25542 5465 1 19 . 1 1 29 29 THR CB C 29 72.232 72.232 70.209 2.023 25542 5466 1 19 . 1 1 29 29 THR H H 29 7.592 7.592 8.121 -0.529 25542 5467 1 19 . 1 1 30 30 SER N N 30 117.670 117.670 117.625 0.045 25542 5468 1 19 . 1 1 30 30 SER HA H 30 4.298 4.298 4.635 -0.337 25542 5469 1 19 . 1 1 30 30 SER C C 30 172.473 172.473 172.959 -0.486 25542 5470 1 19 . 1 1 30 30 SER CA C 30 59.633 59.633 58.889 0.744 25542 5471 1 19 . 1 1 30 30 SER CB C 30 64.278 64.278 64.479 -0.201 25542 5472 1 19 . 1 1 30 30 SER H H 30 8.701 8.701 8.220 0.481 25542 5473 1 19 . 1 1 31 31 CYS N N 31 121.263 121.263 119.565 1.698 25542 5474 1 19 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.680 0.101 25542 5475 1 19 . 1 1 31 31 CYS C C 31 170.861 170.861 172.413 -1.552 25542 5476 1 19 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.376 -1.971 25542 5477 1 19 . 1 1 31 31 CYS CB C 31 28.303 28.303 28.895 -0.592 25542 5478 1 19 . 1 1 31 31 CYS H H 31 8.719 8.719 8.400 0.319 25542 5479 1 19 . 1 1 32 32 ASP N N 32 124.542 124.542 127.108 -2.566 25542 5480 1 19 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.739 -0.117 25542 5481 1 19 . 1 1 32 32 ASP C C 32 172.541 172.541 176.645 -4.104 25542 5482 1 19 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.118 -0.964 25542 5483 1 19 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.005 -1.764 25542 5484 1 19 . 1 1 32 32 ASP H H 32 8.551 8.551 8.240 0.311 25542 5485 1 19 . 1 1 33 33 ILE N N 33 125.170 125.170 121.897 3.273 25542 5486 1 19 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.557 0.137 25542 5487 1 19 . 1 1 33 33 ILE C C 33 175.743 175.743 176.925 -1.182 25542 5488 1 19 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.163 0.573 25542 5489 1 19 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.764 0.051 25542 5490 1 19 . 1 1 33 33 ILE H H 33 8.464 8.464 8.617 -0.153 25542 5491 1 19 . 1 1 34 34 GLU N N 34 121.058 121.058 119.245 1.813 25542 5492 1 19 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.783 0.359 25542 5493 1 19 . 1 1 34 34 GLU C C 34 176.406 176.406 178.260 -1.854 25542 5494 1 19 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.601 0.510 25542 5495 1 19 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.718 1.004 25542 5496 1 19 . 1 1 34 34 GLU H H 34 8.186 8.186 7.816 0.370 25542 5497 1 19 . 1 1 35 35 LEU N N 35 124.965 124.965 121.218 3.747 25542 5498 1 19 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.904 -0.269 25542 5499 1 19 . 1 1 35 35 LEU C C 35 176.399 176.399 178.865 -2.466 25542 5500 1 19 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.408 -0.379 25542 5501 1 19 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.177 -0.195 25542 5502 1 19 . 1 1 35 35 LEU H H 35 7.849 7.849 7.857 -0.008 25542 5503 1 19 . 1 1 36 36 LEU N N 36 120.453 120.453 117.921 2.532 25542 5504 1 19 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.772 -0.093 25542 5505 1 19 . 1 1 36 36 LEU C C 36 176.280 176.280 178.862 -2.582 25542 5506 1 19 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.022 0.713 25542 5507 1 19 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.693 1.776 25542 5508 1 19 . 1 1 36 36 LEU H H 36 8.867 8.867 8.597 0.270 25542 5509 1 19 . 1 1 37 37 ALA N N 37 120.030 120.030 121.741 -1.711 25542 5510 1 19 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.793 0.215 25542 5511 1 19 . 1 1 37 37 ALA C C 37 177.606 177.606 179.397 -1.791 25542 5512 1 19 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.094 0.007 25542 5513 1 19 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.721 -0.080 25542 5514 1 19 . 1 1 37 37 ALA H H 37 7.624 7.624 7.878 -0.254 25542 5515 1 19 . 1 1 38 38 ALA N N 38 121.675 121.675 120.848 0.827 25542 5516 1 19 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.857 0.253 25542 5517 1 19 . 1 1 38 38 ALA C C 38 178.452 178.452 178.678 -0.226 25542 5518 1 19 . 1 1 38 38 ALA CA C 38 54.829 54.829 55.087 -0.258 25542 5519 1 19 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.063 -0.055 25542 5520 1 19 . 1 1 38 38 ALA H H 38 7.681 7.681 8.213 -0.532 25542 5521 1 19 . 1 1 39 39 CYS N N 39 119.413 119.413 117.645 1.768 25542 5522 1 19 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.842 -0.097 25542 5523 1 19 . 1 1 39 39 CYS C C 39 173.860 173.860 177.057 -3.197 25542 5524 1 19 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.395 0.424 25542 5525 1 19 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.384 -0.074 25542 5526 1 19 . 1 1 39 39 CYS H H 39 8.806 8.806 8.185 0.621 25542 5527 1 19 . 1 1 40 40 ARG N N 40 119.824 119.824 119.177 0.647 25542 5528 1 19 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.872 0.047 25542 5529 1 19 . 1 1 40 40 ARG C C 40 176.108 176.108 178.621 -2.513 25542 5530 1 19 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.151 0.381 25542 5531 1 19 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.971 -0.126 25542 5532 1 19 . 1 1 40 40 ARG H H 40 8.382 8.382 8.550 -0.168 25542 5533 1 19 . 1 1 41 41 GLU N N 41 119.618 119.618 118.793 0.825 25542 5534 1 19 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.035 0.052 25542 5535 1 19 . 1 1 41 41 GLU C C 41 171.786 171.786 179.253 -7.467 25542 5536 1 19 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.520 -0.320 25542 5537 1 19 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.038 0.239 25542 5538 1 19 . 1 1 41 41 GLU H H 41 7.949 7.949 8.202 -0.253 25542 5539 1 19 . 1 1 42 42 GLU N N 42 121.469 121.469 119.748 1.721 25542 5540 1 19 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.147 0.163 25542 5541 1 19 . 1 1 42 42 GLU C C 42 173.408 173.408 179.193 -5.785 25542 5542 1 19 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.245 -0.986 25542 5543 1 19 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.428 -1.286 25542 5544 1 19 . 1 1 42 42 GLU H H 42 7.980 7.980 8.107 -0.127 25542 5545 1 19 . 1 1 43 43 PHE N N 43 119.824 119.824 120.266 -0.442 25542 5546 1 19 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.182 -0.068 25542 5547 1 19 . 1 1 43 43 PHE C C 43 175.299 175.299 178.285 -2.986 25542 5548 1 19 . 1 1 43 43 PHE CA C 43 61.663 61.663 61.896 -0.233 25542 5549 1 19 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.570 0.637 25542 5550 1 19 . 1 1 43 43 PHE H H 43 8.717 8.717 8.659 0.058 25542 5551 1 19 . 1 1 44 44 HIS N N 44 116.534 116.534 118.693 -2.159 25542 5552 1 19 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.234 0.047 25542 5553 1 19 . 1 1 44 44 HIS C C 44 174.771 174.771 177.783 -3.012 25542 5554 1 19 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.458 -0.921 25542 5555 1 19 . 1 1 44 44 HIS CB C 44 29.502 29.502 30.094 -0.592 25542 5556 1 19 . 1 1 44 44 HIS H H 44 8.105 8.105 8.914 -0.809 25542 5557 1 19 . 1 1 45 45 ARG N N 45 120.875 120.875 119.428 1.447 25542 5558 1 19 . 1 1 45 45 ARG HA H 45 3.923 3.923 3.978 -0.055 25542 5559 1 19 . 1 1 45 45 ARG C C 45 176.310 176.310 178.361 -2.051 25542 5560 1 19 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.746 0.020 25542 5561 1 19 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.214 0.065 25542 5562 1 19 . 1 1 45 45 ARG H H 45 8.278 8.278 8.385 -0.107 25542 5563 1 19 . 1 1 46 46 ARG N N 46 116.740 116.740 119.730 -2.990 25542 5564 1 19 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.036 -0.077 25542 5565 1 19 . 1 1 46 46 ARG C C 46 176.046 176.046 179.063 -3.017 25542 5566 1 19 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.572 -0.738 25542 5567 1 19 . 1 1 46 46 ARG CB C 46 29.858 29.858 30.012 -0.154 25542 5568 1 19 . 1 1 46 46 ARG H H 46 8.068 8.068 8.439 -0.371 25542 5569 1 19 . 1 1 47 47 LEU N N 47 120.441 120.441 118.957 1.484 25542 5570 1 19 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.054 -0.123 25542 5571 1 19 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.560 2.206 25542 5572 1 19 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.740 -0.115 25542 5573 1 19 . 1 1 47 47 LEU H H 47 7.868 7.868 8.230 -0.362 25542 5574 1 19 . 1 1 48 48 LYS N N 48 119.413 119.413 120.806 -1.393 25542 5575 1 19 . 1 1 48 48 LYS HA H 48 4.079 4.079 3.968 0.111 25542 5576 1 19 . 1 1 48 48 LYS C C 48 176.354 176.354 178.978 -2.624 25542 5577 1 19 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.349 -1.192 25542 5578 1 19 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.181 -0.117 25542 5579 1 19 . 1 1 48 48 LYS H H 48 7.784 7.784 7.977 -0.193 25542 5580 1 19 . 1 1 49 49 VAL N N 49 119.618 119.618 118.352 1.266 25542 5581 1 19 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.820 0.008 25542 5582 1 19 . 1 1 49 49 VAL C C 49 174.195 174.195 177.819 -3.624 25542 5583 1 19 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.147 -1.228 25542 5584 1 19 . 1 1 49 49 VAL CB C 49 32.309 32.309 30.851 1.458 25542 5585 1 19 . 1 1 49 49 VAL H H 49 7.767 7.767 8.420 -0.653 25542 5586 1 19 . 1 1 50 50 TYR N N 50 122.497 122.497 120.710 1.787 25542 5587 1 19 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.005 0.159 25542 5588 1 19 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.168 -1.866 25542 5589 1 19 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.415 -0.129 25542 5590 1 19 . 1 1 50 50 TYR H H 50 8.142 8.142 8.032 0.110 25542 5591 1 19 . 1 1 51 51 HIS N N 51 119.002 119.002 117.538 1.464 25542 5592 1 19 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.405 -0.185 25542 5593 1 19 . 1 1 51 51 HIS C C 51 174.214 174.214 176.883 -2.669 25542 5594 1 19 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.643 -1.215 25542 5595 1 19 . 1 1 51 51 HIS CB C 51 30.099 30.099 31.164 -1.065 25542 5596 1 19 . 1 1 51 51 HIS H H 51 8.427 8.427 7.986 0.441 25542 5597 1 19 . 1 1 52 52 ALA N N 52 123.731 123.731 122.842 0.889 25542 5598 1 19 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.403 -0.262 25542 5599 1 19 . 1 1 52 52 ALA C C 52 176.134 176.134 178.790 -2.656 25542 5600 1 19 . 1 1 52 52 ALA CA C 52 54.098 54.098 52.687 1.411 25542 5601 1 19 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.328 -0.133 25542 5602 1 19 . 1 1 52 52 ALA H H 52 8.072 8.072 8.597 -0.525 25542 5603 1 19 . 1 1 53 53 TRP N N 53 120.614 120.614 118.125 2.489 25542 5604 1 19 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.268 0.081 25542 5605 1 19 . 1 1 53 53 TRP C C 53 173.394 173.394 175.834 -2.440 25542 5606 1 19 . 1 1 53 53 TRP CA C 53 58.776 58.776 57.605 1.171 25542 5607 1 19 . 1 1 53 53 TRP CB C 53 28.661 28.661 27.489 1.172 25542 5608 1 19 . 1 1 53 53 TRP H H 53 8.045 8.045 8.288 -0.243 25542 5609 1 19 . 1 1 54 54 LYS N N 54 121.675 121.675 117.292 4.383 25542 5610 1 19 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.679 0.500 25542 5611 1 19 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.242 -1.153 25542 5612 1 19 . 1 1 54 54 LYS CB C 54 32.064 32.064 31.971 0.092 25542 5613 1 19 . 1 1 54 54 LYS H H 54 8.230 8.230 7.150 1.080 25542 5614 1 19 . 1 1 55 55 SER N N 55 114.683 114.683 117.284 -2.601 25542 5615 1 19 . 1 1 55 55 SER HA H 55 4.163 4.163 4.174 -0.011 25542 5616 1 19 . 1 1 55 55 SER C C 55 177.387 177.387 175.346 2.041 25542 5617 1 19 . 1 1 55 55 SER CA C 55 59.440 59.440 60.970 -1.530 25542 5618 1 19 . 1 1 55 55 SER CB C 55 63.319 63.319 63.285 0.034 25542 5619 1 19 . 1 1 55 55 SER H H 55 7.920 7.920 8.179 -0.259 25542 5620 1 19 . 1 1 56 56 LYS N N 56 122.086 122.086 119.379 2.707 25542 5621 1 19 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.489 -0.328 25542 5622 1 19 . 1 1 56 56 LYS C C 56 174.830 174.830 175.381 -0.551 25542 5623 1 19 . 1 1 56 56 LYS CA C 56 57.069 57.069 55.583 1.486 25542 5624 1 19 . 1 1 56 56 LYS CB C 56 32.787 32.787 32.752 0.035 25542 5625 1 19 . 1 1 56 56 LYS H H 56 7.907 7.907 7.366 0.541 25542 5626 1 19 . 1 1 57 57 ASN N N 57 118.385 118.385 119.481 -1.096 25542 5627 1 19 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.469 0.058 25542 5628 1 19 . 1 1 57 57 ASN C C 57 175.845 175.845 175.601 0.244 25542 5629 1 19 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.392 -0.044 25542 5630 1 19 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.182 0.660 25542 5631 1 19 . 1 1 57 57 ASN H H 57 8.019 8.019 8.483 -0.464 25542 5632 1 19 . 1 1 58 58 LYS N N 58 121.675 121.675 120.927 0.748 25542 5633 1 19 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.181 0.014 25542 5634 1 19 . 1 1 58 58 LYS C C 58 175.343 175.343 176.527 -1.184 25542 5635 1 19 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.697 -0.208 25542 5636 1 19 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.795 -0.084 25542 5637 1 19 . 1 1 58 58 LYS H H 58 8.039 8.039 7.644 0.395 25542 5638 1 19 . 1 1 59 59 LYS N N 59 123.434 123.434 120.927 2.507 25542 5639 1 19 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.111 0.114 25542 5640 1 19 . 1 1 59 59 LYS C C 59 172.827 172.827 176.584 -3.757 25542 5641 1 19 . 1 1 59 59 LYS CA C 59 56.213 56.213 57.245 -1.032 25542 5642 1 19 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.618 0.295 25542 5643 1 19 . 1 1 59 59 LYS H H 59 8.348 8.348 8.227 0.121 25542 5644 1 20 . 1 1 10 10 THR N N 10 114.478 114.478 116.089 -1.611 25542 5645 1 20 . 1 1 10 10 THR HA H 10 4.249 4.249 4.444 -0.195 25542 5646 1 20 . 1 1 10 10 THR C C 10 171.741 171.741 175.209 -3.468 25542 5647 1 20 . 1 1 10 10 THR CA C 10 62.036 62.036 61.742 0.294 25542 5648 1 20 . 1 1 10 10 THR CB C 10 69.784 69.784 69.519 0.265 25542 5649 1 20 . 1 1 10 10 THR H H 10 8.118 8.118 8.317 -0.199 25542 5650 1 20 . 1 1 11 11 LYS N N 11 124.759 124.759 122.781 1.978 25542 5651 1 20 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.400 -0.229 25542 5652 1 20 . 1 1 11 11 LYS C C 11 172.964 172.964 177.155 -4.191 25542 5653 1 20 . 1 1 11 11 LYS CA C 11 56.185 56.185 55.746 0.439 25542 5654 1 20 . 1 1 11 11 LYS CB C 11 32.819 32.819 33.068 -0.249 25542 5655 1 20 . 1 1 11 11 LYS H H 11 8.442 8.442 8.506 -0.064 25542 5656 1 20 . 1 1 12 12 LYS N N 12 123.320 123.320 120.739 2.581 25542 5657 1 20 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.220 -0.104 25542 5658 1 20 . 1 1 12 12 LYS C C 12 173.147 173.147 177.331 -4.184 25542 5659 1 20 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.416 -1.108 25542 5660 1 20 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.735 0.470 25542 5661 1 20 . 1 1 12 12 LYS H H 12 8.239 8.239 8.490 -0.251 25542 5662 1 20 . 1 1 13 13 TYR N N 13 119.413 119.413 118.994 0.419 25542 5663 1 20 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.539 -0.127 25542 5664 1 20 . 1 1 13 13 TYR C C 13 172.016 172.016 174.937 -2.921 25542 5665 1 20 . 1 1 13 13 TYR CA C 13 57.378 57.378 58.110 -0.732 25542 5666 1 20 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.123 -0.177 25542 5667 1 20 . 1 1 13 13 TYR H H 13 8.286 8.286 8.092 0.194 25542 5668 1 20 . 1 1 14 14 ASP N N 14 120.647 120.647 124.348 -3.701 25542 5669 1 20 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.964 -0.277 25542 5670 1 20 . 1 1 14 14 ASP C C 14 173.276 173.276 175.087 -1.811 25542 5671 1 20 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.104 -1.468 25542 5672 1 20 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.411 -2.206 25542 5673 1 20 . 1 1 14 14 ASP H H 14 8.611 8.611 8.603 0.008 25542 5674 1 20 . 1 1 15 15 LEU N N 15 126.198 126.198 124.507 1.691 25542 5675 1 20 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.679 -0.946 25542 5676 1 20 . 1 1 15 15 LEU C C 15 175.592 175.592 177.329 -1.737 25542 5677 1 20 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.228 -0.853 25542 5678 1 20 . 1 1 15 15 LEU CB C 15 39.946 39.946 42.068 -2.122 25542 5679 1 20 . 1 1 15 15 LEU H H 15 8.877 8.877 8.317 0.560 25542 5680 1 20 . 1 1 16 16 SER N N 16 116.464 116.464 117.227 -0.763 25542 5681 1 20 . 1 1 16 16 SER HA H 16 4.142 4.142 4.188 -0.046 25542 5682 1 20 . 1 1 16 16 SER C C 16 173.247 173.247 174.473 -1.226 25542 5683 1 20 . 1 1 16 16 SER CA C 16 61.699 61.699 60.601 1.098 25542 5684 1 20 . 1 1 16 16 SER CB C 16 62.708 62.708 63.310 -0.602 25542 5685 1 20 . 1 1 16 16 SER H H 16 8.132 8.132 8.326 -0.194 25542 5686 1 20 . 1 1 17 17 LYS N N 17 118.179 118.179 119.501 -1.322 25542 5687 1 20 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.462 0.039 25542 5688 1 20 . 1 1 17 17 LYS C C 17 175.079 175.079 175.260 -0.181 25542 5689 1 20 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.163 -0.969 25542 5690 1 20 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.974 -1.921 25542 5691 1 20 . 1 1 17 17 LYS H H 17 8.496 8.496 7.937 0.559 25542 5692 1 20 . 1 1 18 18 TRP N N 18 121.857 121.857 123.927 -2.070 25542 5693 1 20 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.935 -0.343 25542 5694 1 20 . 1 1 18 18 TRP C C 18 174.862 174.862 175.819 -0.957 25542 5695 1 20 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.309 2.876 25542 5696 1 20 . 1 1 18 18 TRP CB C 18 28.632 28.632 31.950 -3.318 25542 5697 1 20 . 1 1 18 18 TRP H H 18 7.830 7.830 8.587 -0.757 25542 5698 1 20 . 1 1 19 19 LYS N N 19 123.014 123.014 119.756 3.258 25542 5699 1 20 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.214 0.331 25542 5700 1 20 . 1 1 19 19 LYS C C 19 175.094 175.094 177.433 -2.339 25542 5701 1 20 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.620 0.649 25542 5702 1 20 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.281 -0.190 25542 5703 1 20 . 1 1 19 19 LYS H H 19 9.533 9.533 8.679 0.854 25542 5704 1 20 . 1 1 20 20 TYR N N 20 124.553 124.553 121.460 3.093 25542 5705 1 20 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.095 -0.080 25542 5706 1 20 . 1 1 20 20 TYR C C 20 174.531 174.531 177.916 -3.385 25542 5707 1 20 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.571 1.566 25542 5708 1 20 . 1 1 20 20 TYR CB C 20 38.114 38.114 36.887 1.227 25542 5709 1 20 . 1 1 20 20 TYR H H 20 9.400 9.400 7.443 1.957 25542 5710 1 20 . 1 1 21 21 ALA N N 21 117.974 117.974 122.766 -4.792 25542 5711 1 20 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.123 -0.306 25542 5712 1 20 . 1 1 21 21 ALA C C 21 176.314 176.314 179.373 -3.059 25542 5713 1 20 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.543 -0.191 25542 5714 1 20 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.671 0.936 25542 5715 1 20 . 1 1 21 21 ALA H H 21 8.991 8.991 8.373 0.618 25542 5716 1 20 . 1 1 22 22 GLU N N 22 115.300 115.300 119.184 -3.884 25542 5717 1 20 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.992 0.115 25542 5718 1 20 . 1 1 22 22 GLU C C 22 177.380 177.380 179.142 -1.762 25542 5719 1 20 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.852 -0.422 25542 5720 1 20 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.705 1.165 25542 5721 1 20 . 1 1 22 22 GLU H H 22 6.842 6.842 8.472 -1.630 25542 5722 1 20 . 1 1 23 23 LEU N N 23 122.086 122.086 122.173 -0.087 25542 5723 1 20 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.257 -0.091 25542 5724 1 20 . 1 1 23 23 LEU C C 23 174.830 174.830 179.300 -4.470 25542 5725 1 20 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.486 0.157 25542 5726 1 20 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.083 1.028 25542 5727 1 20 . 1 1 23 23 LEU H H 23 7.906 7.906 8.660 -0.754 25542 5728 1 20 . 1 1 24 24 ARG N N 24 117.974 117.974 119.253 -1.279 25542 5729 1 20 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.900 -0.241 25542 5730 1 20 . 1 1 24 24 ARG C C 24 175.240 175.240 178.309 -3.069 25542 5731 1 20 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.783 -0.752 25542 5732 1 20 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.981 -0.147 25542 5733 1 20 . 1 1 24 24 ARG H H 24 8.220 8.220 8.199 0.021 25542 5734 1 20 . 1 1 25 25 ASP N N 25 118.179 118.179 119.011 -0.832 25542 5735 1 20 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.409 -0.023 25542 5736 1 20 . 1 1 25 25 ASP C C 25 176.554 176.554 178.448 -1.894 25542 5737 1 20 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.686 -0.399 25542 5738 1 20 . 1 1 25 25 ASP CB C 25 40.042 40.042 41.021 -0.979 25542 5739 1 20 . 1 1 25 25 ASP H H 25 8.482 8.482 8.240 0.242 25542 5740 1 20 . 1 1 26 26 THR N N 26 118.385 118.385 116.443 1.942 25542 5741 1 20 . 1 1 26 26 THR HA H 26 3.900 3.900 4.086 -0.186 25542 5742 1 20 . 1 1 26 26 THR C C 26 173.365 173.365 177.052 -3.687 25542 5743 1 20 . 1 1 26 26 THR CA C 26 67.774 67.774 66.349 1.425 25542 5744 1 20 . 1 1 26 26 THR CB C 26 67.779 67.779 69.072 -1.293 25542 5745 1 20 . 1 1 26 26 THR H H 26 7.930 7.930 8.549 -0.619 25542 5746 1 20 . 1 1 27 27 ILE N N 27 122.497 122.497 119.519 2.978 25542 5747 1 20 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.928 -0.283 25542 5748 1 20 . 1 1 27 27 ILE C C 27 174.485 174.485 176.125 -1.640 25542 5749 1 20 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.408 1.210 25542 5750 1 20 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.181 -0.529 25542 5751 1 20 . 1 1 27 27 ILE H H 27 8.145 8.145 7.987 0.158 25542 5752 1 20 . 1 1 28 28 ASN N N 28 115.095 115.095 115.754 -0.659 25542 5753 1 20 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.751 -0.129 25542 5754 1 20 . 1 1 28 28 ASN C C 28 173.902 173.902 176.119 -2.217 25542 5755 1 20 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.165 0.264 25542 5756 1 20 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.591 -0.422 25542 5757 1 20 . 1 1 28 28 ASN H H 28 7.700 7.700 8.144 -0.444 25542 5758 1 20 . 1 1 29 29 THR N N 29 107.692 107.692 111.157 -3.465 25542 5759 1 20 . 1 1 29 29 THR HA H 29 4.606 4.606 4.559 0.047 25542 5760 1 20 . 1 1 29 29 THR C C 29 172.290 172.290 175.238 -2.948 25542 5761 1 20 . 1 1 29 29 THR CA C 29 62.629 62.629 62.525 0.104 25542 5762 1 20 . 1 1 29 29 THR CB C 29 72.232 72.232 70.047 2.185 25542 5763 1 20 . 1 1 29 29 THR H H 29 7.592 7.592 8.110 -0.518 25542 5764 1 20 . 1 1 30 30 SER N N 30 117.670 117.670 118.797 -1.127 25542 5765 1 20 . 1 1 30 30 SER HA H 30 4.298 4.298 4.635 -0.337 25542 5766 1 20 . 1 1 30 30 SER C C 30 172.473 172.473 173.134 -0.661 25542 5767 1 20 . 1 1 30 30 SER CA C 30 59.633 59.633 58.901 0.732 25542 5768 1 20 . 1 1 30 30 SER CB C 30 64.278 64.278 64.648 -0.370 25542 5769 1 20 . 1 1 30 30 SER H H 30 8.701 8.701 8.103 0.598 25542 5770 1 20 . 1 1 31 31 CYS N N 31 121.263 121.263 119.404 1.859 25542 5771 1 20 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.622 0.159 25542 5772 1 20 . 1 1 31 31 CYS C C 31 170.861 170.861 172.329 -1.468 25542 5773 1 20 . 1 1 31 31 CYS CA C 31 57.405 57.405 58.966 -1.561 25542 5774 1 20 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.322 -1.019 25542 5775 1 20 . 1 1 31 31 CYS H H 31 8.719 8.719 8.446 0.273 25542 5776 1 20 . 1 1 32 32 ASP N N 32 124.542 124.542 127.028 -2.486 25542 5777 1 20 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.740 -0.118 25542 5778 1 20 . 1 1 32 32 ASP C C 32 172.541 172.541 176.299 -3.758 25542 5779 1 20 . 1 1 32 32 ASP CA C 32 53.154 53.154 54.023 -0.869 25542 5780 1 20 . 1 1 32 32 ASP CB C 32 41.241 41.241 43.083 -1.842 25542 5781 1 20 . 1 1 32 32 ASP H H 32 8.551 8.551 8.342 0.209 25542 5782 1 20 . 1 1 33 33 ILE N N 33 125.170 125.170 121.882 3.288 25542 5783 1 20 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.555 0.139 25542 5784 1 20 . 1 1 33 33 ILE C C 33 175.743 175.743 176.940 -1.197 25542 5785 1 20 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.185 0.551 25542 5786 1 20 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.780 0.035 25542 5787 1 20 . 1 1 33 33 ILE H H 33 8.464 8.464 8.602 -0.138 25542 5788 1 20 . 1 1 34 34 GLU N N 34 121.058 121.058 119.251 1.807 25542 5789 1 20 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.780 0.362 25542 5790 1 20 . 1 1 34 34 GLU C C 34 176.406 176.406 178.348 -1.942 25542 5791 1 20 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.603 0.508 25542 5792 1 20 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.671 1.051 25542 5793 1 20 . 1 1 34 34 GLU H H 34 8.186 8.186 7.812 0.374 25542 5794 1 20 . 1 1 35 35 LEU N N 35 124.965 124.965 121.218 3.747 25542 5795 1 20 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.949 -0.314 25542 5796 1 20 . 1 1 35 35 LEU C C 35 176.399 176.399 178.930 -2.531 25542 5797 1 20 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.447 -0.418 25542 5798 1 20 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.198 -0.216 25542 5799 1 20 . 1 1 35 35 LEU H H 35 7.849 7.849 7.877 -0.028 25542 5800 1 20 . 1 1 36 36 LEU N N 36 120.453 120.453 118.001 2.452 25542 5801 1 20 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.782 -0.103 25542 5802 1 20 . 1 1 36 36 LEU C C 36 176.280 176.280 178.868 -2.588 25542 5803 1 20 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.048 0.687 25542 5804 1 20 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.705 1.764 25542 5805 1 20 . 1 1 36 36 LEU H H 36 8.867 8.867 8.697 0.170 25542 5806 1 20 . 1 1 37 37 ALA N N 37 120.030 120.030 121.725 -1.695 25542 5807 1 20 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.792 0.216 25542 5808 1 20 . 1 1 37 37 ALA C C 37 177.606 177.606 179.415 -1.809 25542 5809 1 20 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.099 0.002 25542 5810 1 20 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.732 -0.091 25542 5811 1 20 . 1 1 37 37 ALA H H 37 7.624 7.624 7.902 -0.278 25542 5812 1 20 . 1 1 38 38 ALA N N 38 121.675 121.675 120.583 1.092 25542 5813 1 20 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.866 0.244 25542 5814 1 20 . 1 1 38 38 ALA C C 38 178.452 178.452 178.716 -0.264 25542 5815 1 20 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.974 -0.145 25542 5816 1 20 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.074 -0.066 25542 5817 1 20 . 1 1 38 38 ALA H H 38 7.681 7.681 8.296 -0.615 25542 5818 1 20 . 1 1 39 39 CYS N N 39 119.413 119.413 117.763 1.650 25542 5819 1 20 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.911 -0.166 25542 5820 1 20 . 1 1 39 39 CYS C C 39 173.860 173.860 177.116 -3.256 25542 5821 1 20 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.386 0.433 25542 5822 1 20 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.136 0.174 25542 5823 1 20 . 1 1 39 39 CYS H H 39 8.806 8.806 8.118 0.688 25542 5824 1 20 . 1 1 40 40 ARG N N 40 119.824 119.824 119.354 0.470 25542 5825 1 20 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.886 0.033 25542 5826 1 20 . 1 1 40 40 ARG C C 40 176.108 176.108 178.679 -2.571 25542 5827 1 20 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.094 0.438 25542 5828 1 20 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.951 -0.105 25542 5829 1 20 . 1 1 40 40 ARG H H 40 8.382 8.382 8.617 -0.235 25542 5830 1 20 . 1 1 41 41 GLU N N 41 119.618 119.618 118.848 0.770 25542 5831 1 20 . 1 1 41 41 GLU HA H 41 4.087 4.087 4.069 0.018 25542 5832 1 20 . 1 1 41 41 GLU C C 41 171.786 171.786 179.534 -7.748 25542 5833 1 20 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.398 -0.198 25542 5834 1 20 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.017 0.260 25542 5835 1 20 . 1 1 41 41 GLU H H 41 7.949 7.949 8.150 -0.201 25542 5836 1 20 . 1 1 42 42 GLU N N 42 121.469 121.469 120.047 1.422 25542 5837 1 20 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.122 0.188 25542 5838 1 20 . 1 1 42 42 GLU C C 42 173.408 173.408 179.101 -5.693 25542 5839 1 20 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.167 -0.908 25542 5840 1 20 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.403 -1.261 25542 5841 1 20 . 1 1 42 42 GLU H H 42 7.980 7.980 8.120 -0.140 25542 5842 1 20 . 1 1 43 43 PHE N N 43 119.824 119.824 120.635 -0.811 25542 5843 1 20 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.144 -0.030 25542 5844 1 20 . 1 1 43 43 PHE C C 43 175.299 175.299 178.487 -3.188 25542 5845 1 20 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.465 -0.802 25542 5846 1 20 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.729 0.478 25542 5847 1 20 . 1 1 43 43 PHE H H 43 8.717 8.717 8.684 0.033 25542 5848 1 20 . 1 1 44 44 HIS N N 44 116.534 116.534 118.311 -1.777 25542 5849 1 20 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.264 0.017 25542 5850 1 20 . 1 1 44 44 HIS C C 44 174.771 174.771 177.595 -2.824 25542 5851 1 20 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.490 -0.953 25542 5852 1 20 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.960 -0.458 25542 5853 1 20 . 1 1 44 44 HIS H H 44 8.105 8.105 8.591 -0.486 25542 5854 1 20 . 1 1 45 45 ARG N N 45 120.875 120.875 119.769 1.106 25542 5855 1 20 . 1 1 45 45 ARG HA H 45 3.923 3.923 3.964 -0.041 25542 5856 1 20 . 1 1 45 45 ARG C C 45 176.310 176.310 178.279 -1.969 25542 5857 1 20 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.732 0.034 25542 5858 1 20 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.276 0.003 25542 5859 1 20 . 1 1 45 45 ARG H H 45 8.278 8.278 8.348 -0.070 25542 5860 1 20 . 1 1 46 46 ARG N N 46 116.740 116.740 119.714 -2.974 25542 5861 1 20 . 1 1 46 46 ARG HA H 46 3.959 3.959 3.975 -0.016 25542 5862 1 20 . 1 1 46 46 ARG C C 46 176.046 176.046 178.752 -2.706 25542 5863 1 20 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.425 -0.591 25542 5864 1 20 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.788 0.070 25542 5865 1 20 . 1 1 46 46 ARG H H 46 8.068 8.068 8.434 -0.366 25542 5866 1 20 . 1 1 47 47 LEU N N 47 120.441 120.441 120.929 -0.488 25542 5867 1 20 . 1 1 47 47 LEU HA H 47 3.931 3.931 3.807 0.124 25542 5868 1 20 . 1 1 47 47 LEU CA C 47 59.766 59.766 58.503 1.263 25542 5869 1 20 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.637 -0.012 25542 5870 1 20 . 1 1 47 47 LEU H H 47 7.868 7.868 8.282 -0.414 25542 5871 1 20 . 1 1 48 48 LYS N N 48 119.413 119.413 119.164 0.249 25542 5872 1 20 . 1 1 48 48 LYS HA H 48 4.079 4.079 3.911 0.168 25542 5873 1 20 . 1 1 48 48 LYS C C 48 176.354 176.354 179.291 -2.937 25542 5874 1 20 . 1 1 48 48 LYS CA C 48 58.157 58.157 58.931 -0.774 25542 5875 1 20 . 1 1 48 48 LYS CB C 48 32.064 32.064 31.796 0.268 25542 5876 1 20 . 1 1 48 48 LYS H H 48 7.784 7.784 7.772 0.012 25542 5877 1 20 . 1 1 49 49 VAL N N 49 119.618 119.618 119.772 -0.154 25542 5878 1 20 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.705 0.123 25542 5879 1 20 . 1 1 49 49 VAL C C 49 174.195 174.195 178.242 -4.047 25542 5880 1 20 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.879 -1.960 25542 5881 1 20 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.267 1.042 25542 5882 1 20 . 1 1 49 49 VAL H H 49 7.767 7.767 8.678 -0.911 25542 5883 1 20 . 1 1 50 50 TYR N N 50 122.497 122.497 119.233 3.264 25542 5884 1 20 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.139 0.025 25542 5885 1 20 . 1 1 50 50 TYR CA C 50 59.302 59.302 62.397 -3.095 25542 5886 1 20 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.004 0.282 25542 5887 1 20 . 1 1 50 50 TYR H H 50 8.142 8.142 8.217 -0.075 25542 5888 1 20 . 1 1 51 51 HIS N N 51 119.002 119.002 117.637 1.365 25542 5889 1 20 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.333 -0.113 25542 5890 1 20 . 1 1 51 51 HIS C C 51 174.214 174.214 176.354 -2.140 25542 5891 1 20 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.766 -1.338 25542 5892 1 20 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.159 -0.060 25542 5893 1 20 . 1 1 51 51 HIS H H 51 8.427 8.427 8.550 -0.123 25542 5894 1 20 . 1 1 52 52 ALA N N 52 123.731 123.731 120.868 2.863 25542 5895 1 20 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.311 -0.170 25542 5896 1 20 . 1 1 52 52 ALA C C 52 176.134 176.134 178.661 -2.527 25542 5897 1 20 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.392 0.706 25542 5898 1 20 . 1 1 52 52 ALA CB C 52 18.195 18.195 19.102 -0.907 25542 5899 1 20 . 1 1 52 52 ALA H H 52 8.072 8.072 8.048 0.024 25542 5900 1 20 . 1 1 53 53 TRP N N 53 120.614 120.614 117.767 2.847 25542 5901 1 20 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.382 -0.033 25542 5902 1 20 . 1 1 53 53 TRP C C 53 173.394 173.394 176.893 -3.499 25542 5903 1 20 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.499 -0.723 25542 5904 1 20 . 1 1 53 53 TRP CB C 53 28.661 28.661 29.326 -0.665 25542 5905 1 20 . 1 1 53 53 TRP H H 53 8.045 8.045 8.832 -0.787 25542 5906 1 20 . 1 1 54 54 LYS N N 54 121.675 121.675 119.205 2.470 25542 5907 1 20 . 1 1 54 54 LYS HA H 54 4.179 4.179 4.709 -0.530 25542 5908 1 20 . 1 1 54 54 LYS CA C 54 56.089 56.089 55.650 0.439 25542 5909 1 20 . 1 1 54 54 LYS CB C 54 32.064 32.064 33.619 -1.555 25542 5910 1 20 . 1 1 54 54 LYS H H 54 8.230 8.230 8.017 0.213 25542 5911 1 20 . 1 1 55 55 SER N N 55 114.683 114.683 121.513 -6.830 25542 5912 1 20 . 1 1 55 55 SER HA H 55 4.163 4.163 4.636 -0.473 25542 5913 1 20 . 1 1 55 55 SER C C 55 177.387 177.387 174.260 3.127 25542 5914 1 20 . 1 1 55 55 SER CA C 55 59.440 59.440 58.615 0.825 25542 5915 1 20 . 1 1 55 55 SER CB C 55 63.319 63.319 65.059 -1.740 25542 5916 1 20 . 1 1 55 55 SER H H 55 7.920 7.920 8.792 -0.872 25542 5917 1 20 . 1 1 56 56 LYS N N 56 122.086 122.086 121.384 0.702 25542 5918 1 20 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.462 -0.301 25542 5919 1 20 . 1 1 56 56 LYS C C 56 174.830 174.830 174.472 0.358 25542 5920 1 20 . 1 1 56 56 LYS CA C 56 57.069 57.069 57.110 -0.041 25542 5921 1 20 . 1 1 56 56 LYS CB C 56 32.787 32.787 33.411 -0.624 25542 5922 1 20 . 1 1 56 56 LYS H H 56 7.907 7.907 7.988 -0.081 25542 5923 1 20 . 1 1 57 57 ASN N N 57 118.385 118.385 120.643 -2.258 25542 5924 1 20 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.806 -0.279 25542 5925 1 20 . 1 1 57 57 ASN C C 57 175.845 175.845 175.425 0.420 25542 5926 1 20 . 1 1 57 57 ASN CA C 57 53.348 53.348 52.965 0.383 25542 5927 1 20 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.520 0.322 25542 5928 1 20 . 1 1 57 57 ASN H H 57 8.019 8.019 8.611 -0.592 25542 5929 1 20 . 1 1 58 58 LYS N N 58 121.675 121.675 119.494 2.181 25542 5930 1 20 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.254 -0.059 25542 5931 1 20 . 1 1 58 58 LYS C C 58 175.343 175.343 175.968 -0.625 25542 5932 1 20 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.648 -0.159 25542 5933 1 20 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.247 0.464 25542 5934 1 20 . 1 1 58 58 LYS H H 58 8.039 8.039 8.042 -0.003 25542 5935 1 20 . 1 1 59 59 LYS N N 59 123.434 123.434 118.908 4.526 25542 5936 1 20 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.600 -0.375 25542 5937 1 20 . 1 1 59 59 LYS C C 59 172.827 172.827 175.265 -2.438 25542 5938 1 20 . 1 1 59 59 LYS CA C 59 56.213 56.213 54.933 1.280 25542 5939 1 20 . 1 1 59 59 LYS CB C 59 32.913 32.913 35.120 -2.208 25542 5940 1 20 . 1 1 59 59 LYS H H 59 8.348 8.348 7.614 0.734 25542 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 50 2.294 -0.318 2.295 25542 2 1 1 "Average Difference" HA 50 0.257 0.036 0.257 25542 3 1 1 "Average Difference" C 47 2.994 2.445 1.747 25542 4 1 1 "Average Difference" CA 50 1.131 0.208 1.123 25542 5 1 1 "Average Difference" CB 50 1.057 0.144 1.058 25542 6 1 1 "Average Difference" HN 50 0.536 0.022 0.541 25542 7 1 2 "Average Difference" N 50 2.137 -0.115 2.156 25542 8 1 2 "Average Difference" HA 50 0.229 0.039 0.228 25542 9 1 2 "Average Difference" C 47 2.819 2.275 1.683 25542 10 1 2 "Average Difference" CA 50 0.980 0.195 0.970 25542 11 1 2 "Average Difference" CB 50 1.096 0.170 1.094 25542 12 1 2 "Average Difference" HN 50 0.489 0.062 0.490 25542 13 1 3 "Average Difference" N 50 2.389 -0.561 2.346 25542 14 1 3 "Average Difference" HA 50 0.241 0.049 0.238 25542 15 1 3 "Average Difference" C 47 2.868 2.389 1.604 25542 16 1 3 "Average Difference" CA 50 1.072 0.103 1.077 25542 17 1 3 "Average Difference" CB 50 1.117 0.086 1.125 25542 18 1 3 "Average Difference" HN 50 0.530 0.046 0.534 25542 19 1 4 "Average Difference" N 50 2.271 -0.102 2.292 25542 20 1 4 "Average Difference" HA 50 0.242 0.025 0.243 25542 21 1 4 "Average Difference" C 47 2.833 2.315 1.651 25542 22 1 4 "Average Difference" CA 50 1.075 0.092 1.082 25542 23 1 4 "Average Difference" CB 50 1.055 0.103 1.060 25542 24 1 4 "Average Difference" HN 50 0.476 0.099 0.471 25542 25 1 5 "Average Difference" N 50 2.279 -0.504 2.246 25542 26 1 5 "Average Difference" HA 50 0.271 0.065 0.265 25542 27 1 5 "Average Difference" C 47 2.822 2.316 1.630 25542 28 1 5 "Average Difference" CA 50 1.098 0.063 1.107 25542 29 1 5 "Average Difference" CB 50 1.048 0.155 1.047 25542 30 1 5 "Average Difference" HN 50 0.537 0.066 0.539 25542 31 1 6 "Average Difference" N 50 2.175 -0.569 2.121 25542 32 1 6 "Average Difference" HA 50 0.243 0.075 0.233 25542 33 1 6 "Average Difference" C 47 2.856 2.271 1.751 25542 34 1 6 "Average Difference" CA 50 0.998 0.061 1.006 25542 35 1 6 "Average Difference" CB 50 1.052 0.130 1.054 25542 36 1 6 "Average Difference" HN 50 0.539 0.023 0.544 25542 37 1 7 "Average Difference" N 50 2.358 -0.287 2.364 25542 38 1 7 "Average Difference" HA 50 0.226 0.029 0.226 25542 39 1 7 "Average Difference" C 47 2.915 2.425 1.635 25542 40 1 7 "Average Difference" CA 50 1.093 0.272 1.069 25542 41 1 7 "Average Difference" CB 50 1.077 0.101 1.083 25542 42 1 7 "Average Difference" HN 50 0.544 0.047 0.548 25542 43 1 8 "Average Difference" N 50 2.082 -0.379 2.068 25542 44 1 8 "Average Difference" HA 50 0.269 0.066 0.263 25542 45 1 8 "Average Difference" C 47 2.923 2.337 1.775 25542 46 1 8 "Average Difference" CA 50 1.103 0.058 1.113 25542 47 1 8 "Average Difference" CB 50 1.021 0.174 1.017 25542 48 1 8 "Average Difference" HN 50 0.539 0.049 0.543 25542 49 1 9 "Average Difference" N 50 2.382 -0.611 2.326 25542 50 1 9 "Average Difference" HA 50 0.225 0.062 0.218 25542 51 1 9 "Average Difference" C 47 2.921 2.458 1.596 25542 52 1 9 "Average Difference" CA 50 1.187 0.191 1.184 25542 53 1 9 "Average Difference" CB 50 1.072 0.077 1.080 25542 54 1 9 "Average Difference" HN 50 0.559 0.042 0.563 25542 55 1 10 "Average Difference" N 50 2.256 -0.256 2.264 25542 56 1 10 "Average Difference" HA 50 0.228 0.068 0.220 25542 57 1 10 "Average Difference" C 47 2.861 2.311 1.705 25542 58 1 10 "Average Difference" CA 50 1.106 0.053 1.116 25542 59 1 10 "Average Difference" CB 50 1.040 0.127 1.043 25542 60 1 10 "Average Difference" HN 50 0.474 0.076 0.472 25542 61 1 11 "Average Difference" N 50 2.319 -0.640 2.252 25542 62 1 11 "Average Difference" HA 50 0.244 0.054 0.240 25542 63 1 11 "Average Difference" C 47 2.920 2.362 1.735 25542 64 1 11 "Average Difference" CA 50 1.030 0.144 1.030 25542 65 1 11 "Average Difference" CB 50 0.994 0.191 0.986 25542 66 1 11 "Average Difference" HN 50 0.461 0.057 0.462 25542 67 1 12 "Average Difference" N 50 2.194 -0.383 2.182 25542 68 1 12 "Average Difference" HA 50 0.227 0.086 0.212 25542 69 1 12 "Average Difference" C 47 2.798 2.320 1.582 25542 70 1 12 "Average Difference" CA 50 1.091 0.082 1.099 25542 71 1 12 "Average Difference" CB 50 1.006 0.141 1.006 25542 72 1 12 "Average Difference" HN 50 0.531 0.018 0.536 25542 73 1 13 "Average Difference" N 50 2.321 -0.278 2.328 25542 74 1 13 "Average Difference" HA 50 0.222 0.075 0.211 25542 75 1 13 "Average Difference" C 47 2.821 2.263 1.702 25542 76 1 13 "Average Difference" CA 50 1.101 0.031 1.112 25542 77 1 13 "Average Difference" CB 50 1.032 0.229 1.016 25542 78 1 13 "Average Difference" HN 50 0.517 0.037 0.521 25542 79 1 14 "Average Difference" N 50 2.295 -0.435 2.277 25542 80 1 14 "Average Difference" HA 50 0.242 0.049 0.240 25542 81 1 14 "Average Difference" C 47 2.957 2.253 1.937 25542 82 1 14 "Average Difference" CA 50 1.039 0.084 1.046 25542 83 1 14 "Average Difference" CB 50 1.018 0.151 1.017 25542 84 1 14 "Average Difference" HN 50 0.550 -0.001 0.556 25542 85 1 15 "Average Difference" N 50 2.267 -0.397 2.255 25542 86 1 15 "Average Difference" HA 50 0.206 0.061 0.199 25542 87 1 15 "Average Difference" C 47 2.956 2.482 1.623 25542 88 1 15 "Average Difference" CA 50 1.222 0.288 1.200 25542 89 1 15 "Average Difference" CB 50 1.084 0.090 1.091 25542 90 1 15 "Average Difference" HN 50 0.530 0.034 0.534 25542 91 1 16 "Average Difference" N 50 2.347 -0.449 2.327 25542 92 1 16 "Average Difference" HA 50 0.249 0.105 0.228 25542 93 1 16 "Average Difference" C 47 2.762 2.270 1.591 25542 94 1 16 "Average Difference" CA 50 1.112 0.001 1.124 25542 95 1 16 "Average Difference" CB 50 1.063 0.164 1.061 25542 96 1 16 "Average Difference" HN 50 0.524 0.013 0.529 25542 97 1 17 "Average Difference" N 50 2.016 -0.195 2.027 25542 98 1 17 "Average Difference" HA 50 0.228 0.072 0.219 25542 99 1 17 "Average Difference" C 47 2.850 2.327 1.664 25542 100 1 17 "Average Difference" CA 50 1.056 0.081 1.063 25542 101 1 17 "Average Difference" CB 50 1.013 0.186 1.006 25542 102 1 17 "Average Difference" HN 50 0.460 0.083 0.457 25542 103 1 18 "Average Difference" N 50 2.060 -0.457 2.029 25542 104 1 18 "Average Difference" HA 50 0.212 0.045 0.209 25542 105 1 18 "Average Difference" C 47 2.865 2.312 1.710 25542 106 1 18 "Average Difference" CA 50 1.030 0.179 1.025 25542 107 1 18 "Average Difference" CB 50 1.098 0.184 1.093 25542 108 1 18 "Average Difference" HN 50 0.467 0.055 0.468 25542 109 1 19 "Average Difference" N 50 2.279 -0.470 2.252 25542 110 1 19 "Average Difference" HA 50 0.239 0.059 0.234 25542 111 1 19 "Average Difference" C 47 2.886 2.409 1.607 25542 112 1 19 "Average Difference" CA 50 1.071 0.106 1.077 25542 113 1 19 "Average Difference" CB 50 1.068 0.139 1.069 25542 114 1 19 "Average Difference" HN 50 0.572 -0.025 0.577 25542 115 1 20 "Average Difference" N 50 2.463 -0.260 2.475 25542 116 1 20 "Average Difference" HA 50 0.251 0.094 0.234 25542 117 1 20 "Average Difference" C 47 2.912 2.375 1.704 25542 118 1 20 "Average Difference" CA 50 1.019 0.061 1.028 25542 119 1 20 "Average Difference" CB 50 1.114 0.277 1.090 25542 120 1 20 "Average Difference" HN 50 0.564 0.067 0.566 25542 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 25542 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 10 10 THR N N 10 114.478 114.478 115.204 -0.726 25542 2 1 . 1 1 10 10 THR HA H 10 4.249 4.249 4.447 -0.198 25542 3 1 . 1 1 10 10 THR C C 10 171.741 171.741 174.905 -3.164 25542 4 1 . 1 1 10 10 THR CA C 10 62.036 62.036 61.605 0.431 25542 5 1 . 1 1 10 10 THR CB C 10 69.784 69.784 69.818 -0.034 25542 6 1 . 1 1 10 10 THR H H 10 8.118 8.118 8.018 0.100 25542 7 1 . 1 1 11 11 LYS N N 11 124.759 124.759 122.297 2.462 25542 8 1 . 1 1 11 11 LYS HA H 11 4.171 4.171 4.379 -0.208 25542 9 1 . 1 1 11 11 LYS C C 11 172.964 172.964 176.947 -3.983 25542 10 1 . 1 1 11 11 LYS CA C 11 56.185 56.185 56.226 -0.041 25542 11 1 . 1 1 11 11 LYS CB C 11 32.819 32.819 32.852 -0.033 25542 12 1 . 1 1 11 11 LYS H H 11 8.442 8.442 8.473 -0.031 25542 13 1 . 1 1 12 12 LYS N N 12 123.320 123.320 120.498 2.822 25542 14 1 . 1 1 12 12 LYS HA H 12 4.116 4.116 4.199 -0.083 25542 15 1 . 1 1 12 12 LYS C C 12 173.147 173.147 176.906 -3.759 25542 16 1 . 1 1 12 12 LYS CA C 12 56.308 56.308 57.791 -1.482 25542 17 1 . 1 1 12 12 LYS CB C 12 33.205 33.205 32.909 0.296 25542 18 1 . 1 1 12 12 LYS H H 12 8.239 8.239 8.357 -0.118 25542 19 1 . 1 1 13 13 TYR N N 13 119.413 119.413 118.082 1.331 25542 20 1 . 1 1 13 13 TYR HA H 13 4.412 4.412 4.612 -0.200 25542 21 1 . 1 1 13 13 TYR C C 13 172.016 172.016 174.624 -2.608 25542 22 1 . 1 1 13 13 TYR CA C 13 57.378 57.378 57.593 -0.215 25542 23 1 . 1 1 13 13 TYR CB C 13 39.946 39.946 40.647 -0.701 25542 24 1 . 1 1 13 13 TYR H H 13 8.286 8.286 7.929 0.357 25542 25 1 . 1 1 14 14 ASP N N 14 120.647 120.647 122.690 -2.043 25542 26 1 . 1 1 14 14 ASP HA H 14 4.687 4.687 4.869 -0.182 25542 27 1 . 1 1 14 14 ASP C C 14 173.276 173.276 175.045 -1.769 25542 28 1 . 1 1 14 14 ASP CA C 14 52.636 52.636 54.263 -1.627 25542 29 1 . 1 1 14 14 ASP CB C 14 40.205 40.205 42.118 -1.913 25542 30 1 . 1 1 14 14 ASP H H 14 8.611 8.611 8.524 0.087 25542 31 1 . 1 1 15 15 LEU N N 15 126.198 126.198 125.879 0.320 25542 32 1 . 1 1 15 15 LEU HA H 15 3.733 3.733 4.701 -0.968 25542 33 1 . 1 1 15 15 LEU C C 15 175.592 175.592 177.270 -1.678 25542 34 1 . 1 1 15 15 LEU CA C 15 53.375 53.375 54.007 -0.632 25542 35 1 . 1 1 15 15 LEU CB C 15 39.946 39.946 41.341 -1.395 25542 36 1 . 1 1 15 15 LEU H H 15 8.877 8.877 8.405 0.472 25542 37 1 . 1 1 16 16 SER N N 16 116.464 116.464 117.676 -1.212 25542 38 1 . 1 1 16 16 SER HA H 16 4.142 4.142 4.136 0.006 25542 39 1 . 1 1 16 16 SER C C 16 173.247 173.247 174.311 -1.065 25542 40 1 . 1 1 16 16 SER CA C 16 61.699 61.699 60.808 0.891 25542 41 1 . 1 1 16 16 SER CB C 16 62.708 62.708 63.608 -0.900 25542 42 1 . 1 1 16 16 SER H H 16 8.132 8.132 8.314 -0.182 25542 43 1 . 1 1 17 17 LYS N N 17 118.179 118.179 119.350 -1.171 25542 44 1 . 1 1 17 17 LYS HA H 17 4.501 4.501 4.545 -0.044 25542 45 1 . 1 1 17 17 LYS C C 17 175.079 175.079 175.188 -0.109 25542 46 1 . 1 1 17 17 LYS CA C 17 55.194 55.194 56.158 -0.964 25542 47 1 . 1 1 17 17 LYS CB C 17 32.053 32.053 33.697 -1.643 25542 48 1 . 1 1 17 17 LYS H H 17 8.496 8.496 8.082 0.414 25542 49 1 . 1 1 18 18 TRP N N 18 121.857 121.857 123.998 -2.141 25542 50 1 . 1 1 18 18 TRP HA H 18 4.592 4.592 4.976 -0.384 25542 51 1 . 1 1 18 18 TRP C C 18 174.862 174.862 175.571 -0.709 25542 52 1 . 1 1 18 18 TRP CA C 18 58.185 58.185 55.294 2.891 25542 53 1 . 1 1 18 18 TRP CB C 18 28.632 28.632 32.209 -3.577 25542 54 1 . 1 1 18 18 TRP H H 18 7.830 7.830 8.538 -0.708 25542 55 1 . 1 1 19 19 LYS N N 19 123.014 123.014 120.118 2.896 25542 56 1 . 1 1 19 19 LYS HA H 19 4.545 4.545 4.470 0.075 25542 57 1 . 1 1 19 19 LYS C C 19 175.094 175.094 177.481 -2.387 25542 58 1 . 1 1 19 19 LYS CA C 19 55.269 55.269 54.497 0.772 25542 59 1 . 1 1 19 19 LYS CB C 19 33.091 33.091 33.503 -0.412 25542 60 1 . 1 1 19 19 LYS H H 19 9.533 9.533 8.638 0.895 25542 61 1 . 1 1 20 20 TYR N N 20 124.553 124.553 121.633 2.920 25542 62 1 . 1 1 20 20 TYR HA H 20 4.015 4.015 4.160 -0.145 25542 63 1 . 1 1 20 20 TYR C C 20 174.531 174.531 177.491 -2.960 25542 64 1 . 1 1 20 20 TYR CA C 20 63.137 63.137 61.868 1.269 25542 65 1 . 1 1 20 20 TYR CB C 20 38.114 38.114 37.371 0.743 25542 66 1 . 1 1 20 20 TYR H H 20 9.400 9.400 8.409 0.991 25542 67 1 . 1 1 21 21 ALA N N 21 117.974 117.974 122.707 -4.733 25542 68 1 . 1 1 21 21 ALA HA H 21 3.817 3.817 4.084 -0.267 25542 69 1 . 1 1 21 21 ALA C C 21 176.314 176.314 179.230 -2.916 25542 70 1 . 1 1 21 21 ALA CA C 21 55.352 55.352 55.470 -0.118 25542 71 1 . 1 1 21 21 ALA CB C 21 18.607 18.607 17.420 1.187 25542 72 1 . 1 1 21 21 ALA H H 21 8.991 8.991 8.066 0.925 25542 73 1 . 1 1 22 22 GLU N N 22 115.300 115.300 118.987 -3.687 25542 74 1 . 1 1 22 22 GLU HA H 22 4.107 4.107 3.985 0.122 25542 75 1 . 1 1 22 22 GLU C C 22 177.380 177.380 179.109 -1.729 25542 76 1 . 1 1 22 22 GLU CA C 22 58.430 58.430 58.831 -0.401 25542 77 1 . 1 1 22 22 GLU CB C 22 29.870 29.870 28.711 1.159 25542 78 1 . 1 1 22 22 GLU H H 22 6.842 6.842 8.490 -1.648 25542 79 1 . 1 1 23 23 LEU N N 23 122.086 122.086 122.130 -0.044 25542 80 1 . 1 1 23 23 LEU HA H 23 4.166 4.166 4.220 -0.054 25542 81 1 . 1 1 23 23 LEU C C 23 174.830 174.830 179.243 -4.413 25542 82 1 . 1 1 23 23 LEU CA C 23 58.643 58.643 58.570 0.073 25542 83 1 . 1 1 23 23 LEU CB C 23 43.111 43.111 42.088 1.023 25542 84 1 . 1 1 23 23 LEU H H 23 7.906 7.906 8.433 -0.527 25542 85 1 . 1 1 24 24 ARG N N 24 117.974 117.974 118.975 -1.001 25542 86 1 . 1 1 24 24 ARG HA H 24 3.659 3.659 3.852 -0.193 25542 87 1 . 1 1 24 24 ARG C C 24 175.240 175.240 178.326 -3.086 25542 88 1 . 1 1 24 24 ARG CA C 24 59.031 59.031 59.809 -0.778 25542 89 1 . 1 1 24 24 ARG CB C 24 29.834 29.834 29.996 -0.162 25542 90 1 . 1 1 24 24 ARG H H 24 8.220 8.220 8.163 0.057 25542 91 1 . 1 1 25 25 ASP N N 25 118.179 118.179 118.496 -0.317 25542 92 1 . 1 1 25 25 ASP HA H 25 4.386 4.386 4.398 -0.012 25542 93 1 . 1 1 25 25 ASP C C 25 176.554 176.554 178.583 -2.029 25542 94 1 . 1 1 25 25 ASP CA C 25 57.287 57.287 57.550 -0.263 25542 95 1 . 1 1 25 25 ASP CB C 25 40.042 40.042 40.832 -0.790 25542 96 1 . 1 1 25 25 ASP H H 25 8.482 8.482 8.306 0.176 25542 97 1 . 1 1 26 26 THR N N 26 118.385 118.385 116.440 1.945 25542 98 1 . 1 1 26 26 THR HA H 26 3.900 3.900 4.073 -0.173 25542 99 1 . 1 1 26 26 THR C C 26 173.365 173.365 176.982 -3.617 25542 100 1 . 1 1 26 26 THR CA C 26 67.774 67.774 66.711 1.063 25542 101 1 . 1 1 26 26 THR CB C 26 67.779 67.779 69.021 -1.242 25542 102 1 . 1 1 26 26 THR H H 26 7.930 7.930 8.504 -0.574 25542 103 1 . 1 1 27 27 ILE N N 27 122.497 122.497 119.608 2.889 25542 104 1 . 1 1 27 27 ILE HA H 27 3.645 3.645 3.891 -0.246 25542 105 1 . 1 1 27 27 ILE C C 27 174.485 174.485 176.017 -1.532 25542 106 1 . 1 1 27 27 ILE CA C 27 64.618 64.618 63.458 1.160 25542 107 1 . 1 1 27 27 ILE CB C 27 37.652 37.652 38.053 -0.401 25542 108 1 . 1 1 27 27 ILE H H 27 8.145 8.145 7.972 0.173 25542 109 1 . 1 1 28 28 ASN N N 28 115.095 115.095 115.514 -0.419 25542 110 1 . 1 1 28 28 ASN HA H 28 4.622 4.622 4.740 -0.118 25542 111 1 . 1 1 28 28 ASN C C 28 173.902 173.902 176.076 -2.174 25542 112 1 . 1 1 28 28 ASN CA C 28 54.429 54.429 54.109 0.320 25542 113 1 . 1 1 28 28 ASN CB C 28 39.169 39.169 39.652 -0.483 25542 114 1 . 1 1 28 28 ASN H H 28 7.700 7.700 8.100 -0.400 25542 115 1 . 1 1 29 29 THR N N 29 107.692 107.692 110.115 -2.423 25542 116 1 . 1 1 29 29 THR HA H 29 4.606 4.606 4.538 0.068 25542 117 1 . 1 1 29 29 THR C C 29 172.290 172.290 175.340 -3.050 25542 118 1 . 1 1 29 29 THR CA C 29 62.629 62.629 62.351 0.278 25542 119 1 . 1 1 29 29 THR CB C 29 72.232 72.232 70.156 2.076 25542 120 1 . 1 1 29 29 THR H H 29 7.592 7.592 8.171 -0.579 25542 121 1 . 1 1 30 30 SER N N 30 117.670 117.670 118.167 -0.496 25542 122 1 . 1 1 30 30 SER HA H 30 4.298 4.298 4.646 -0.348 25542 123 1 . 1 1 30 30 SER C C 30 172.473 172.473 172.945 -0.471 25542 124 1 . 1 1 30 30 SER CA C 30 59.633 59.633 58.748 0.885 25542 125 1 . 1 1 30 30 SER CB C 30 64.278 64.278 64.617 -0.339 25542 126 1 . 1 1 30 30 SER H H 30 8.701 8.701 8.148 0.553 25542 127 1 . 1 1 31 31 CYS N N 31 121.263 121.263 119.535 1.728 25542 128 1 . 1 1 31 31 CYS HA H 31 4.781 4.781 4.647 0.134 25542 129 1 . 1 1 31 31 CYS C C 31 170.861 170.861 172.421 -1.560 25542 130 1 . 1 1 31 31 CYS CA C 31 57.405 57.405 59.100 -1.695 25542 131 1 . 1 1 31 31 CYS CB C 31 28.303 28.303 29.070 -0.767 25542 132 1 . 1 1 31 31 CYS H H 31 8.719 8.719 8.441 0.278 25542 133 1 . 1 1 32 32 ASP N N 32 124.542 124.542 126.992 -2.450 25542 134 1 . 1 1 32 32 ASP HA H 32 4.622 4.622 4.743 -0.121 25542 135 1 . 1 1 32 32 ASP C C 32 172.541 172.541 176.397 -3.856 25542 136 1 . 1 1 32 32 ASP CA C 32 53.154 53.154 53.992 -0.838 25542 137 1 . 1 1 32 32 ASP CB C 32 41.241 41.241 42.962 -1.721 25542 138 1 . 1 1 32 32 ASP H H 32 8.551 8.551 8.290 0.261 25542 139 1 . 1 1 33 33 ILE N N 33 125.170 125.170 121.792 3.378 25542 140 1 . 1 1 33 33 ILE HA H 33 3.694 3.694 3.562 0.132 25542 141 1 . 1 1 33 33 ILE C C 33 175.743 175.743 176.889 -1.146 25542 142 1 . 1 1 33 33 ILE CA C 33 64.736 64.736 64.277 0.459 25542 143 1 . 1 1 33 33 ILE CB C 33 37.815 37.815 37.800 0.015 25542 144 1 . 1 1 33 33 ILE H H 33 8.464 8.464 8.585 -0.121 25542 145 1 . 1 1 34 34 GLU N N 34 121.058 121.058 119.229 1.829 25542 146 1 . 1 1 34 34 GLU HA H 34 4.142 4.142 3.776 0.366 25542 147 1 . 1 1 34 34 GLU C C 34 176.406 176.406 178.237 -1.831 25542 148 1 . 1 1 34 34 GLU CA C 34 59.111 59.111 58.555 0.556 25542 149 1 . 1 1 34 34 GLU CB C 34 29.722 29.722 28.716 1.006 25542 150 1 . 1 1 34 34 GLU H H 34 8.186 8.186 7.827 0.359 25542 151 1 . 1 1 35 35 LEU N N 35 124.965 124.965 121.228 3.737 25542 152 1 . 1 1 35 35 LEU HA H 35 3.635 3.635 3.926 -0.291 25542 153 1 . 1 1 35 35 LEU C C 35 176.399 176.399 178.894 -2.495 25542 154 1 . 1 1 35 35 LEU CA C 35 57.029 57.029 57.429 -0.400 25542 155 1 . 1 1 35 35 LEU CB C 35 40.982 40.982 41.186 -0.204 25542 156 1 . 1 1 35 35 LEU H H 35 7.849 7.849 7.882 -0.033 25542 157 1 . 1 1 36 36 LEU N N 36 120.453 120.453 117.943 2.510 25542 158 1 . 1 1 36 36 LEU HA H 36 3.679 3.679 3.773 -0.094 25542 159 1 . 1 1 36 36 LEU C C 36 176.280 176.280 178.865 -2.585 25542 160 1 . 1 1 36 36 LEU CA C 36 58.735 58.735 58.021 0.714 25542 161 1 . 1 1 36 36 LEU CB C 36 42.469 42.469 40.706 1.764 25542 162 1 . 1 1 36 36 LEU H H 36 8.867 8.867 8.637 0.229 25542 163 1 . 1 1 37 37 ALA N N 37 120.030 120.030 121.864 -1.834 25542 164 1 . 1 1 37 37 ALA HA H 37 4.008 4.008 3.780 0.228 25542 165 1 . 1 1 37 37 ALA C C 37 177.606 177.606 179.184 -1.578 25542 166 1 . 1 1 37 37 ALA CA C 37 55.101 55.101 55.056 0.045 25542 167 1 . 1 1 37 37 ALA CB C 37 17.641 17.641 17.750 -0.109 25542 168 1 . 1 1 37 37 ALA H H 37 7.624 7.624 7.872 -0.248 25542 169 1 . 1 1 38 38 ALA N N 38 121.675 121.675 120.938 0.737 25542 170 1 . 1 1 38 38 ALA HA H 38 4.110 4.110 3.918 0.192 25542 171 1 . 1 1 38 38 ALA C C 38 178.452 178.452 178.842 -0.390 25542 172 1 . 1 1 38 38 ALA CA C 38 54.829 54.829 54.936 -0.107 25542 173 1 . 1 1 38 38 ALA CB C 38 18.008 18.008 18.081 -0.074 25542 174 1 . 1 1 38 38 ALA H H 38 7.681 7.681 8.338 -0.657 25542 175 1 . 1 1 39 39 CYS N N 39 119.413 119.413 117.873 1.540 25542 176 1 . 1 1 39 39 CYS HA H 39 3.745 3.745 3.904 -0.159 25542 177 1 . 1 1 39 39 CYS C C 39 173.860 173.860 176.907 -3.047 25542 178 1 . 1 1 39 39 CYS CA C 39 63.819 63.819 63.220 0.599 25542 179 1 . 1 1 39 39 CYS CB C 39 27.310 27.310 27.179 0.131 25542 180 1 . 1 1 39 39 CYS H H 39 8.806 8.806 8.097 0.709 25542 181 1 . 1 1 40 40 ARG N N 40 119.824 119.824 119.680 0.144 25542 182 1 . 1 1 40 40 ARG HA H 40 3.919 3.919 3.887 0.032 25542 183 1 . 1 1 40 40 ARG C C 40 176.108 176.108 178.534 -2.426 25542 184 1 . 1 1 40 40 ARG CA C 40 60.532 60.532 60.051 0.481 25542 185 1 . 1 1 40 40 ARG CB C 40 29.846 29.846 29.996 -0.150 25542 186 1 . 1 1 40 40 ARG H H 40 8.382 8.382 8.552 -0.170 25542 187 1 . 1 1 41 41 GLU N N 41 119.618 119.618 118.761 0.857 25542 188 1 . 1 1 41 41 GLU HA H 41 4.087 4.087 3.994 0.093 25542 189 1 . 1 1 41 41 GLU C C 41 171.786 171.786 179.271 -7.485 25542 190 1 . 1 1 41 41 GLU CA C 41 59.200 59.200 59.550 -0.350 25542 191 1 . 1 1 41 41 GLU CB C 41 29.277 29.277 29.091 0.186 25542 192 1 . 1 1 41 41 GLU H H 41 7.949 7.949 8.201 -0.252 25542 193 1 . 1 1 42 42 GLU N N 42 121.469 121.469 119.722 1.747 25542 194 1 . 1 1 42 42 GLU HA H 42 4.310 4.310 4.127 0.183 25542 195 1 . 1 1 42 42 GLU C C 42 173.408 173.408 179.153 -5.744 25542 196 1 . 1 1 42 42 GLU CA C 42 58.259 58.259 59.217 -0.958 25542 197 1 . 1 1 42 42 GLU CB C 42 28.142 28.142 29.381 -1.239 25542 198 1 . 1 1 42 42 GLU H H 42 7.980 7.980 8.201 -0.221 25542 199 1 . 1 1 43 43 PHE N N 43 119.824 119.824 120.475 -0.651 25542 200 1 . 1 1 43 43 PHE HA H 43 4.114 4.114 4.146 -0.032 25542 201 1 . 1 1 43 43 PHE C C 43 175.299 175.299 178.074 -2.775 25542 202 1 . 1 1 43 43 PHE CA C 43 61.663 61.663 62.132 -0.469 25542 203 1 . 1 1 43 43 PHE CB C 43 39.207 39.207 38.694 0.513 25542 204 1 . 1 1 43 43 PHE H H 43 8.717 8.717 8.693 0.024 25542 205 1 . 1 1 44 44 HIS N N 44 116.534 116.534 118.353 -1.819 25542 206 1 . 1 1 44 44 HIS HA H 44 4.281 4.281 4.245 0.036 25542 207 1 . 1 1 44 44 HIS C C 44 174.771 174.771 177.817 -3.046 25542 208 1 . 1 1 44 44 HIS CA C 44 59.537 59.537 60.414 -0.877 25542 209 1 . 1 1 44 44 HIS CB C 44 29.502 29.502 29.890 -0.388 25542 210 1 . 1 1 44 44 HIS H H 44 8.105 8.105 8.808 -0.703 25542 211 1 . 1 1 45 45 ARG N N 45 120.875 120.875 119.772 1.103 25542 212 1 . 1 1 45 45 ARG HA H 45 3.923 3.923 4.018 -0.095 25542 213 1 . 1 1 45 45 ARG C C 45 176.310 176.310 178.446 -2.136 25542 214 1 . 1 1 45 45 ARG CA C 45 59.766 59.766 59.732 0.034 25542 215 1 . 1 1 45 45 ARG CB C 45 30.279 30.279 30.247 0.032 25542 216 1 . 1 1 45 45 ARG H H 45 8.278 8.278 8.404 -0.126 25542 217 1 . 1 1 46 46 ARG N N 46 116.740 116.740 119.714 -2.974 25542 218 1 . 1 1 46 46 ARG HA H 46 3.959 3.959 4.035 -0.076 25542 219 1 . 1 1 46 46 ARG C C 46 176.046 176.046 178.998 -2.952 25542 220 1 . 1 1 46 46 ARG CA C 46 58.834 58.834 59.274 -0.440 25542 221 1 . 1 1 46 46 ARG CB C 46 29.858 29.858 29.839 0.019 25542 222 1 . 1 1 46 46 ARG H H 46 8.068 8.068 8.333 -0.265 25542 223 1 . 1 1 47 47 LEU N N 47 120.441 120.441 119.809 0.632 25542 224 1 . 1 1 47 47 LEU HA H 47 3.931 3.931 4.039 -0.108 25542 225 1 . 1 1 47 47 LEU CA C 47 59.766 59.766 57.916 1.850 25542 226 1 . 1 1 47 47 LEU CB C 47 41.625 41.625 41.584 0.041 25542 227 1 . 1 1 47 47 LEU H H 47 7.868 7.868 8.434 -0.566 25542 228 1 . 1 1 48 48 LYS N N 48 119.413 119.413 120.521 -1.108 25542 229 1 . 1 1 48 48 LYS HA H 48 4.079 4.079 4.049 0.030 25542 230 1 . 1 1 48 48 LYS C C 48 176.354 176.354 179.104 -2.750 25542 231 1 . 1 1 48 48 LYS CA C 48 58.157 58.157 59.793 -1.636 25542 232 1 . 1 1 48 48 LYS CB C 48 32.064 32.064 32.470 -0.406 25542 233 1 . 1 1 48 48 LYS H H 48 7.784 7.784 8.079 -0.295 25542 234 1 . 1 1 49 49 VAL N N 49 119.618 119.618 117.826 1.792 25542 235 1 . 1 1 49 49 VAL HA H 49 3.828 3.828 3.760 0.068 25542 236 1 . 1 1 49 49 VAL C C 49 174.195 174.195 177.770 -3.575 25542 237 1 . 1 1 49 49 VAL CA C 49 64.919 64.919 66.231 -1.312 25542 238 1 . 1 1 49 49 VAL CB C 49 32.309 32.309 31.114 1.196 25542 239 1 . 1 1 49 49 VAL H H 49 7.767 7.767 8.299 -0.532 25542 240 1 . 1 1 50 50 TYR N N 50 122.497 122.497 120.968 1.529 25542 241 1 . 1 1 50 50 TYR HA H 50 4.164 4.164 4.016 0.149 25542 242 1 . 1 1 50 50 TYR CA C 50 59.302 59.302 61.933 -2.631 25542 243 1 . 1 1 50 50 TYR CB C 50 38.286 38.286 38.400 -0.114 25542 244 1 . 1 1 50 50 TYR H H 50 8.142 8.142 8.307 -0.165 25542 245 1 . 1 1 51 51 HIS N N 51 119.002 119.002 117.421 1.581 25542 246 1 . 1 1 51 51 HIS HA H 51 4.220 4.220 4.313 -0.093 25542 247 1 . 1 1 51 51 HIS C C 51 174.214 174.214 176.774 -2.560 25542 248 1 . 1 1 51 51 HIS CA C 51 57.428 57.428 58.701 -1.273 25542 249 1 . 1 1 51 51 HIS CB C 51 30.099 30.099 30.544 -0.445 25542 250 1 . 1 1 51 51 HIS H H 51 8.427 8.427 8.205 0.222 25542 251 1 . 1 1 52 52 ALA N N 52 123.731 123.731 122.315 1.416 25542 252 1 . 1 1 52 52 ALA HA H 52 4.141 4.141 4.216 -0.075 25542 253 1 . 1 1 52 52 ALA C C 52 176.134 176.134 178.857 -2.723 25542 254 1 . 1 1 52 52 ALA CA C 52 54.098 54.098 53.693 0.405 25542 255 1 . 1 1 52 52 ALA CB C 52 18.195 18.195 18.444 -0.249 25542 256 1 . 1 1 52 52 ALA H H 52 8.072 8.072 8.101 -0.029 25542 257 1 . 1 1 53 53 TRP N N 53 120.614 120.614 119.096 1.518 25542 258 1 . 1 1 53 53 TRP HA H 53 4.349 4.349 4.309 0.040 25542 259 1 . 1 1 53 53 TRP C C 53 173.394 173.394 176.949 -3.555 25542 260 1 . 1 1 53 53 TRP CA C 53 58.776 58.776 59.241 -0.464 25542 261 1 . 1 1 53 53 TRP CB C 53 28.661 28.661 28.881 -0.220 25542 262 1 . 1 1 53 53 TRP H H 53 8.045 8.045 8.222 -0.177 25542 263 1 . 1 1 54 54 LYS N N 54 121.675 121.675 117.767 3.908 25542 264 1 . 1 1 54 54 LYS HA H 54 4.179 4.179 3.910 0.269 25542 265 1 . 1 1 54 54 LYS CA C 54 56.089 56.089 57.386 -1.297 25542 266 1 . 1 1 54 54 LYS CB C 54 32.064 32.064 32.237 -0.173 25542 267 1 . 1 1 54 54 LYS H H 54 8.230 8.230 7.588 0.642 25542 268 1 . 1 1 55 55 SER N N 55 114.683 114.683 115.297 -0.614 25542 269 1 . 1 1 55 55 SER HA H 55 4.163 4.163 4.242 -0.079 25542 270 1 . 1 1 55 55 SER C C 55 177.387 177.387 174.458 2.929 25542 271 1 . 1 1 55 55 SER CA C 55 59.440 59.440 59.132 0.308 25542 272 1 . 1 1 55 55 SER CB C 55 63.319 63.319 63.367 -0.048 25542 273 1 . 1 1 55 55 SER H H 55 7.920 7.920 8.088 -0.168 25542 274 1 . 1 1 56 56 LYS N N 56 122.086 122.086 122.310 -0.224 25542 275 1 . 1 1 56 56 LYS HA H 56 4.161 4.161 4.194 -0.033 25542 276 1 . 1 1 56 56 LYS C C 56 174.830 174.830 175.718 -0.888 25542 277 1 . 1 1 56 56 LYS CA C 56 57.069 57.069 56.872 0.197 25542 278 1 . 1 1 56 56 LYS CB C 56 32.787 32.787 32.227 0.560 25542 279 1 . 1 1 56 56 LYS H H 56 7.907 7.907 8.234 -0.327 25542 280 1 . 1 1 57 57 ASN N N 57 118.385 118.385 119.078 -0.693 25542 281 1 . 1 1 57 57 ASN HA H 57 4.527 4.527 4.622 -0.095 25542 282 1 . 1 1 57 57 ASN C C 57 175.845 175.845 174.941 0.904 25542 283 1 . 1 1 57 57 ASN CA C 57 53.348 53.348 53.621 -0.273 25542 284 1 . 1 1 57 57 ASN CB C 57 38.842 38.842 38.785 0.057 25542 285 1 . 1 1 57 57 ASN H H 57 8.019 8.019 8.235 -0.216 25542 286 1 . 1 1 58 58 LYS N N 58 121.675 121.675 120.890 0.785 25542 287 1 . 1 1 58 58 LYS HA H 58 4.195 4.195 4.233 -0.038 25542 288 1 . 1 1 58 58 LYS C C 58 175.343 175.343 175.779 -0.436 25542 289 1 . 1 1 58 58 LYS CA C 58 56.489 56.489 56.476 0.013 25542 290 1 . 1 1 58 58 LYS CB C 58 32.711 32.711 32.486 0.225 25542 291 1 . 1 1 58 58 LYS H H 58 8.039 8.039 8.269 -0.230 25542 292 1 . 1 1 59 59 LYS N N 59 123.434 123.434 121.544 1.890 25542 293 1 . 1 1 59 59 LYS HA H 59 4.225 4.225 4.272 -0.047 25542 294 1 . 1 1 59 59 LYS C C 59 172.827 172.827 176.158 -3.331 25542 295 1 . 1 1 59 59 LYS CA C 59 56.213 56.213 56.251 -0.038 25542 296 1 . 1 1 59 59 LYS CB C 59 32.913 32.913 32.361 0.552 25542 297 1 . 1 1 59 59 LYS H H 59 8.348 8.348 8.179 0.169 25542 stop_ save_