data_19893 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19893 _Entry.PDB_ID 2MNI 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 19893 _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 8 8 PRO HA H 8 4.352 4.352 4.456 -0.104 19893 2 1 1 . 1 1 8 8 PRO C C 8 176.467 176.467 175.336 1.131 19893 3 1 1 . 1 1 8 8 PRO CA C 8 63.363 63.363 63.520 -0.157 19893 4 1 1 . 1 1 8 8 PRO CB C 8 32.389 32.389 31.036 1.353 19893 5 1 1 . 1 1 9 9 ALA N N 9 124.419 124.419 119.934 4.485 19893 6 1 1 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.947 -0.540 19893 7 1 1 . 1 1 9 9 ALA C C 9 177.826 177.826 176.084 1.742 19893 8 1 1 . 1 1 9 9 ALA CA C 9 52.552 52.552 50.951 1.601 19893 9 1 1 . 1 1 9 9 ALA CB C 9 19.854 19.854 22.571 -2.717 19893 10 1 1 . 1 1 9 9 ALA H H 9 8.301 8.301 7.349 0.952 19893 11 1 1 . 1 1 10 10 VAL N N 10 120.778 120.778 120.437 0.341 19893 12 1 1 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.297 -0.138 19893 13 1 1 . 1 1 10 10 VAL C C 10 175.233 175.233 174.595 0.638 19893 14 1 1 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.641 0.492 19893 15 1 1 . 1 1 10 10 VAL CB C 10 33.820 33.820 35.280 -1.460 19893 16 1 1 . 1 1 10 10 VAL H H 10 8.095 8.095 9.070 -0.975 19893 17 1 1 . 1 1 11 11 ASP N N 11 125.133 125.133 127.496 -2.363 19893 18 1 1 . 1 1 11 11 ASP HA H 11 5.032 5.032 4.997 0.035 19893 19 1 1 . 1 1 11 11 ASP C C 11 176.892 176.892 175.298 1.594 19893 20 1 1 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.985 1.608 19893 21 1 1 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.388 0.274 19893 22 1 1 . 1 1 11 11 ASP H H 11 8.285 8.285 8.527 -0.242 19893 23 1 1 . 1 1 12 12 VAL N N 12 124.553 124.553 124.317 0.236 19893 24 1 1 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.119 0.006 19893 25 1 1 . 1 1 12 12 VAL C C 12 175.226 175.226 173.645 1.581 19893 26 1 1 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.050 2.572 19893 27 1 1 . 1 1 12 12 VAL CB C 12 33.328 33.328 34.785 -1.457 19893 28 1 1 . 1 1 12 12 VAL H H 12 8.615 8.615 8.365 0.250 19893 29 1 1 . 1 1 13 13 GLU N N 13 130.776 130.776 124.516 6.260 19893 30 1 1 . 1 1 13 13 GLU HA H 13 5.091 5.091 4.837 0.254 19893 31 1 1 . 1 1 13 13 GLU C C 13 175.853 175.853 174.542 1.311 19893 32 1 1 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.632 0.637 19893 33 1 1 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.857 -0.221 19893 34 1 1 . 1 1 13 13 GLU H H 13 8.796 8.796 8.231 0.565 19893 35 1 1 . 1 1 14 14 ILE N N 14 128.969 128.969 123.322 5.647 19893 36 1 1 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.404 -0.031 19893 37 1 1 . 1 1 14 14 ILE C C 14 174.048 174.048 173.744 0.304 19893 38 1 1 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.388 -0.609 19893 39 1 1 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.352 0.634 19893 40 1 1 . 1 1 14 14 ILE H H 14 8.602 8.602 9.005 -0.403 19893 41 1 1 . 1 1 15 15 HIS N N 15 124.354 124.354 123.959 0.395 19893 42 1 1 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.890 0.364 19893 43 1 1 . 1 1 15 15 HIS C C 15 174.830 174.830 173.802 1.028 19893 44 1 1 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.544 0.843 19893 45 1 1 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.618 -1.114 19893 46 1 1 . 1 1 15 15 HIS H H 15 8.926 8.926 8.729 0.197 19893 47 1 1 . 1 1 16 16 PHE N N 16 117.887 117.887 126.064 -8.177 19893 48 1 1 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.930 0.671 19893 49 1 1 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.537 -1.977 19893 50 1 1 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.023 1.967 19893 51 1 1 . 1 1 16 16 PHE H H 16 8.758 8.758 9.001 -0.243 19893 52 1 1 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.985 -0.226 19893 53 1 1 . 1 1 17 17 PRO C C 17 178.833 178.833 176.460 2.373 19893 54 1 1 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.129 0.929 19893 55 1 1 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.057 -1.097 19893 56 1 1 . 1 1 18 18 LEU N N 18 131.092 131.092 121.547 9.545 19893 57 1 1 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.050 -0.304 19893 58 1 1 . 1 1 18 18 LEU C C 18 177.657 177.657 176.461 1.196 19893 59 1 1 . 1 1 18 18 LEU CA C 18 59.042 59.042 56.826 2.216 19893 60 1 1 . 1 1 18 18 LEU CB C 18 43.774 43.774 42.248 1.526 19893 61 1 1 . 1 1 18 18 LEU H H 18 9.189 9.189 8.285 0.904 19893 62 1 1 . 1 1 19 19 LYS N N 19 113.358 113.358 113.676 -0.318 19893 63 1 1 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.285 -0.370 19893 64 1 1 . 1 1 19 19 LYS C C 19 179.580 179.580 176.628 2.952 19893 65 1 1 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.417 3.058 19893 66 1 1 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.264 0.412 19893 67 1 1 . 1 1 19 19 LYS H H 19 8.967 8.967 7.326 1.641 19893 68 1 1 . 1 1 20 20 ARG N N 20 113.649 113.649 118.791 -5.142 19893 69 1 1 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.500 -0.148 19893 70 1 1 . 1 1 20 20 ARG C C 20 179.148 179.148 178.046 1.102 19893 71 1 1 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.855 0.948 19893 72 1 1 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.638 -1.508 19893 73 1 1 . 1 1 20 20 ARG H H 20 7.118 7.118 8.082 -0.964 19893 74 1 1 . 1 1 21 21 ILE N N 21 117.305 117.305 116.926 0.379 19893 75 1 1 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.834 0.484 19893 76 1 1 . 1 1 21 21 ILE C C 21 175.336 175.336 175.556 -0.220 19893 77 1 1 . 1 1 21 21 ILE CA C 21 59.592 59.592 62.091 -2.499 19893 78 1 1 . 1 1 21 21 ILE CB C 21 39.017 39.017 37.181 1.836 19893 79 1 1 . 1 1 21 21 ILE H H 21 7.752 7.752 8.180 -0.428 19893 80 1 1 . 1 1 22 22 ALA N N 22 123.637 123.637 118.914 4.723 19893 81 1 1 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.537 -0.450 19893 82 1 1 . 1 1 22 22 ALA C C 22 177.701 177.701 176.446 1.255 19893 83 1 1 . 1 1 22 22 ALA CA C 22 53.390 53.390 50.957 2.433 19893 84 1 1 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.511 0.537 19893 85 1 1 . 1 1 22 22 ALA H H 22 7.759 7.759 7.448 0.311 19893 86 1 1 . 1 1 23 23 ALA N N 23 120.182 120.182 122.679 -2.497 19893 87 1 1 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.388 -0.103 19893 88 1 1 . 1 1 23 23 ALA C C 23 178.285 178.285 177.216 1.069 19893 89 1 1 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.227 -0.321 19893 90 1 1 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.872 -0.682 19893 91 1 1 . 1 1 23 23 ALA H H 23 6.732 6.732 7.911 -1.179 19893 92 1 1 . 1 1 24 24 GLU N N 24 119.837 119.837 116.279 3.558 19893 93 1 1 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.459 -0.294 19893 94 1 1 . 1 1 24 24 GLU C C 24 179.026 179.026 177.026 2.000 19893 95 1 1 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.247 3.235 19893 96 1 1 . 1 1 24 24 GLU CB C 24 29.977 29.977 31.376 -1.399 19893 97 1 1 . 1 1 24 24 GLU H H 24 8.830 8.830 7.728 1.102 19893 98 1 1 . 1 1 25 25 GLY N N 25 107.505 107.505 109.541 -2.036 19893 99 1 1 . 1 1 25 25 GLY C C 25 176.338 176.338 175.588 0.750 19893 100 1 1 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.625 -0.548 19893 101 1 1 . 1 1 25 25 GLY H H 25 8.425 8.425 8.559 -0.134 19893 102 1 1 . 1 1 26 26 TYR N N 26 119.505 119.505 122.210 -2.705 19893 103 1 1 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.947 0.309 19893 104 1 1 . 1 1 26 26 TYR C C 26 176.005 176.005 177.734 -1.729 19893 105 1 1 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.170 -0.456 19893 106 1 1 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.123 -0.626 19893 107 1 1 . 1 1 26 26 TYR H H 26 7.262 7.262 8.074 -0.812 19893 108 1 1 . 1 1 27 27 ALA N N 27 122.574 122.574 118.853 3.721 19893 109 1 1 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.879 -0.415 19893 110 1 1 . 1 1 27 27 ALA C C 27 178.550 178.550 179.051 -0.501 19893 111 1 1 . 1 1 27 27 ALA CA C 27 54.172 54.172 55.064 -0.892 19893 112 1 1 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.058 0.017 19893 113 1 1 . 1 1 27 27 ALA H H 27 6.867 6.867 7.721 -0.854 19893 114 1 1 . 1 1 28 28 GLU N N 28 114.244 114.244 119.003 -4.759 19893 115 1 1 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.809 0.530 19893 116 1 1 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.206 -3.954 19893 117 1 1 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.334 1.111 19893 118 1 1 . 1 1 28 28 GLU H H 28 7.285 7.285 8.232 -0.947 19893 119 1 1 . 1 1 29 29 ASP N N 29 120.177 120.177 118.052 2.125 19893 120 1 1 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.334 0.123 19893 121 1 1 . 1 1 29 29 ASP C C 29 177.771 177.771 179.013 -1.242 19893 122 1 1 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.369 -2.921 19893 123 1 1 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.089 0.600 19893 124 1 1 . 1 1 29 29 ASP H H 29 7.083 7.083 7.888 -0.805 19893 125 1 1 . 1 1 30 30 GLU N N 30 129.724 129.724 119.160 10.564 19893 126 1 1 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.241 -0.279 19893 127 1 1 . 1 1 30 30 GLU C C 30 178.184 178.184 178.894 -0.710 19893 128 1 1 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.877 0.479 19893 129 1 1 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.300 -0.019 19893 130 1 1 . 1 1 30 30 GLU H H 30 9.081 9.081 7.765 1.316 19893 131 1 1 . 1 1 31 31 LEU N N 31 120.990 120.990 121.256 -0.266 19893 132 1 1 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.131 0.028 19893 133 1 1 . 1 1 31 31 LEU C C 31 180.910 180.910 179.224 1.686 19893 134 1 1 . 1 1 31 31 LEU CA C 31 59.080 59.080 57.963 1.117 19893 135 1 1 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.259 -0.577 19893 136 1 1 . 1 1 31 31 LEU H H 31 8.323 8.323 7.862 0.461 19893 137 1 1 . 1 1 32 32 LEU N N 32 116.856 116.856 119.091 -2.235 19893 138 1 1 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.319 -0.367 19893 139 1 1 . 1 1 32 32 LEU C C 32 179.086 179.086 179.326 -0.240 19893 140 1 1 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.112 0.906 19893 141 1 1 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.584 0.367 19893 142 1 1 . 1 1 32 32 LEU H H 32 7.225 7.225 8.618 -1.393 19893 143 1 1 . 1 1 33 33 LEU N N 33 117.769 117.769 121.869 -4.100 19893 144 1 1 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.816 0.106 19893 145 1 1 . 1 1 33 33 LEU C C 33 181.207 181.207 178.237 2.970 19893 146 1 1 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.494 0.316 19893 147 1 1 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.412 0.700 19893 148 1 1 . 1 1 33 33 LEU H H 33 6.943 6.943 7.924 -0.981 19893 149 1 1 . 1 1 34 34 ASN N N 34 118.848 118.848 115.988 2.860 19893 150 1 1 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.371 0.165 19893 151 1 1 . 1 1 34 34 ASN C C 34 178.881 178.881 177.938 0.943 19893 152 1 1 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.206 0.097 19893 153 1 1 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.715 -0.135 19893 154 1 1 . 1 1 34 34 ASN H H 34 8.320 8.320 7.969 0.351 19893 155 1 1 . 1 1 35 35 GLN N N 35 118.808 118.808 118.402 0.406 19893 156 1 1 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.218 0.129 19893 157 1 1 . 1 1 35 35 GLN C C 35 177.483 177.483 178.395 -0.912 19893 158 1 1 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.579 -1.304 19893 159 1 1 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.746 1.132 19893 160 1 1 . 1 1 35 35 GLN H H 35 8.053 8.053 8.614 -0.561 19893 161 1 1 . 1 1 36 36 MET N N 36 116.334 116.334 121.648 -5.314 19893 162 1 1 . 1 1 36 36 MET HA H 36 4.718 4.718 4.429 0.289 19893 163 1 1 . 1 1 36 36 MET C C 36 177.424 177.424 178.206 -0.782 19893 164 1 1 . 1 1 36 36 MET CA C 36 54.879 54.879 57.254 -2.375 19893 165 1 1 . 1 1 36 36 MET CB C 36 31.263 31.263 31.814 -0.551 19893 166 1 1 . 1 1 36 36 MET H H 36 7.596 7.596 7.574 0.022 19893 167 1 1 . 1 1 37 37 GLY N N 37 106.238 106.238 106.422 -0.184 19893 168 1 1 . 1 1 37 37 GLY C C 37 175.666 175.666 175.318 0.348 19893 169 1 1 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.413 1.161 19893 170 1 1 . 1 1 37 37 GLY H H 37 7.827 7.827 8.470 -0.643 19893 171 1 1 . 1 1 38 38 LYS N N 38 120.688 120.688 120.175 0.513 19893 172 1 1 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.127 0.286 19893 173 1 1 . 1 1 38 38 LYS C C 38 176.395 176.395 178.854 -2.459 19893 174 1 1 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.530 -2.198 19893 175 1 1 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.871 -0.780 19893 176 1 1 . 1 1 38 38 LYS H H 38 8.543 8.543 7.540 1.003 19893 177 1 1 . 1 1 39 39 VAL N N 39 123.143 123.143 115.648 7.495 19893 178 1 1 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.777 0.300 19893 179 1 1 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.089 -2.260 19893 180 1 1 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.799 1.911 19893 181 1 1 . 1 1 39 39 VAL H H 39 7.711 7.711 8.250 -0.539 19893 182 1 1 . 1 1 40 40 ASN N N 40 125.464 125.464 116.951 8.513 19893 183 1 1 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.864 -0.081 19893 184 1 1 . 1 1 40 40 ASN C C 40 174.870 174.870 173.937 0.933 19893 185 1 1 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.526 -0.033 19893 186 1 1 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.976 -0.583 19893 187 1 1 . 1 1 40 40 ASN H H 40 8.692 8.692 8.107 0.585 19893 188 1 1 . 1 1 41 41 ASP N N 41 116.195 116.195 117.417 -1.222 19893 189 1 1 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.389 0.744 19893 190 1 1 . 1 1 41 41 ASP C C 41 177.048 177.048 175.286 1.762 19893 191 1 1 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.714 0.708 19893 192 1 1 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.899 3.454 19893 193 1 1 . 1 1 41 41 ASP H H 41 8.403 8.403 8.619 -0.216 19893 194 1 1 . 1 1 42 42 THR N N 42 111.139 111.139 108.452 2.687 19893 195 1 1 . 1 1 42 42 THR HA H 42 4.646 4.646 4.520 0.126 19893 196 1 1 . 1 1 42 42 THR CA C 42 57.844 57.844 63.294 -5.450 19893 197 1 1 . 1 1 42 42 THR CB C 42 70.269 70.269 68.027 2.242 19893 198 1 1 . 1 1 42 42 THR H H 42 7.532 7.532 8.063 -0.531 19893 199 1 1 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.603 -0.069 19893 200 1 1 . 1 1 43 43 PRO C C 43 175.550 175.550 176.306 -0.756 19893 201 1 1 . 1 1 43 43 PRO CA C 43 63.124 63.124 61.890 1.234 19893 202 1 1 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.565 3.885 19893 203 1 1 . 1 1 44 44 GLU N N 44 121.809 121.809 121.888 -0.079 19893 204 1 1 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.244 -0.106 19893 205 1 1 . 1 1 44 44 GLU C C 44 176.266 176.266 175.975 0.291 19893 206 1 1 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.676 2.906 19893 207 1 1 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.076 0.802 19893 208 1 1 . 1 1 44 44 GLU H H 44 8.515 8.515 8.122 0.393 19893 209 1 1 . 1 1 45 45 GLU N N 45 122.167 122.167 122.563 -0.396 19893 210 1 1 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.483 -0.131 19893 211 1 1 . 1 1 45 45 GLU C C 45 175.468 175.468 175.660 -0.192 19893 212 1 1 . 1 1 45 45 GLU CA C 45 54.805 54.805 54.324 0.481 19893 213 1 1 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.559 1.866 19893 214 1 1 . 1 1 45 45 GLU H H 45 8.406 8.406 8.299 0.107 19893 215 1 1 . 1 1 46 46 GLU N N 46 123.100 123.100 120.791 2.309 19893 216 1 1 . 1 1 46 46 GLU HA H 46 3.748 3.748 3.967 -0.219 19893 217 1 1 . 1 1 46 46 GLU C C 46 177.108 177.108 176.164 0.944 19893 218 1 1 . 1 1 46 46 GLU CA C 46 57.786 57.786 57.589 0.197 19893 219 1 1 . 1 1 46 46 GLU CB C 46 28.617 28.617 28.558 0.059 19893 220 1 1 . 1 1 46 46 GLU H H 46 8.729 8.729 9.038 -0.309 19893 221 1 1 . 1 1 47 47 GLY N N 47 102.684 102.684 105.957 -3.273 19893 222 1 1 . 1 1 47 47 GLY C C 47 174.278 174.278 172.961 1.317 19893 223 1 1 . 1 1 47 47 GLY CA C 47 45.972 45.972 44.928 1.044 19893 224 1 1 . 1 1 47 47 GLY H H 47 8.513 8.513 8.024 0.489 19893 225 1 1 . 1 1 48 48 MET N N 48 120.460 120.460 121.900 -1.440 19893 226 1 1 . 1 1 48 48 MET HA H 48 5.004 5.004 4.926 0.078 19893 227 1 1 . 1 1 48 48 MET CA C 48 53.307 53.307 52.826 0.481 19893 228 1 1 . 1 1 48 48 MET CB C 48 35.537 35.537 33.465 2.072 19893 229 1 1 . 1 1 48 48 MET H H 48 8.056 8.056 8.413 -0.357 19893 230 1 1 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.984 0.167 19893 231 1 1 . 1 1 50 50 LEU C C 50 179.381 179.381 178.837 0.544 19893 232 1 1 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.471 1.413 19893 233 1 1 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.870 -0.075 19893 234 1 1 . 1 1 51 51 ARG N N 51 113.058 113.058 119.908 -6.850 19893 235 1 1 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.682 0.144 19893 236 1 1 . 1 1 51 51 ARG C C 51 178.376 178.376 178.075 0.301 19893 237 1 1 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.881 1.592 19893 238 1 1 . 1 1 51 51 ARG CB C 51 31.095 31.095 29.630 1.465 19893 239 1 1 . 1 1 51 51 ARG H H 51 8.076 8.076 8.553 -0.477 19893 240 1 1 . 1 1 52 52 ALA N N 52 118.144 118.144 121.460 -3.316 19893 241 1 1 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.023 0.067 19893 242 1 1 . 1 1 52 52 ALA C C 52 180.673 180.673 179.711 0.962 19893 243 1 1 . 1 1 52 52 ALA CA C 52 54.971 54.971 55.059 -0.089 19893 244 1 1 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.396 0.522 19893 245 1 1 . 1 1 52 52 ALA H H 52 7.095 7.095 7.611 -0.516 19893 246 1 1 . 1 1 53 53 TRP N N 53 121.809 121.809 116.853 4.956 19893 247 1 1 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.581 -0.272 19893 248 1 1 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.295 4.637 19893 249 1 1 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.718 -0.206 19893 250 1 1 . 1 1 53 53 TRP H H 53 8.608 8.608 7.962 0.646 19893 251 1 1 . 1 1 54 54 VAL N N 54 120.508 120.508 122.160 -1.652 19893 252 1 1 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.961 -0.117 19893 253 1 1 . 1 1 54 54 VAL C C 54 177.917 177.917 178.326 -0.409 19893 254 1 1 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.027 1.407 19893 255 1 1 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.295 1.222 19893 256 1 1 . 1 1 54 54 VAL H H 54 8.352 8.352 7.384 0.968 19893 257 1 1 . 1 1 55 55 ILE N N 55 118.131 118.131 119.905 -1.774 19893 258 1 1 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.647 -0.320 19893 259 1 1 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.822 0.968 19893 260 1 1 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.368 1.901 19893 261 1 1 . 1 1 55 55 ILE H H 55 7.574 7.574 7.862 -0.288 19893 262 1 1 . 1 1 56 56 LYS N N 56 120.517 120.517 120.592 -0.075 19893 263 1 1 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.173 -0.121 19893 264 1 1 . 1 1 56 56 LYS C C 56 179.574 179.574 179.274 0.300 19893 265 1 1 . 1 1 56 56 LYS CA C 56 60.575 60.575 60.045 0.530 19893 266 1 1 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.248 0.883 19893 267 1 1 . 1 1 56 56 LYS H H 56 8.354 8.354 8.006 0.348 19893 268 1 1 . 1 1 57 57 CYS N N 57 116.239 116.239 117.547 -1.308 19893 269 1 1 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.206 -0.292 19893 270 1 1 . 1 1 57 57 CYS C C 57 178.985 178.985 177.194 1.791 19893 271 1 1 . 1 1 57 57 CYS CA C 57 63.432 63.432 64.035 -0.603 19893 272 1 1 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.190 0.399 19893 273 1 1 . 1 1 57 57 CYS H H 57 8.501 8.501 8.478 0.023 19893 274 1 1 . 1 1 58 58 ALA N N 58 123.819 123.819 122.501 1.318 19893 275 1 1 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.123 -0.088 19893 276 1 1 . 1 1 58 58 ALA C C 58 177.753 177.753 178.430 -0.677 19893 277 1 1 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.506 0.571 19893 278 1 1 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.220 0.009 19893 279 1 1 . 1 1 58 58 ALA H H 58 8.605 8.605 8.489 0.116 19893 280 1 1 . 1 1 59 59 HIS N N 59 115.595 115.595 118.688 -3.093 19893 281 1 1 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.007 -0.492 19893 282 1 1 . 1 1 59 59 HIS C C 59 177.271 177.271 177.484 -0.213 19893 283 1 1 . 1 1 59 59 HIS CA C 59 60.700 60.700 60.098 0.602 19893 284 1 1 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.989 -2.198 19893 285 1 1 . 1 1 59 59 HIS H H 59 8.132 8.132 8.659 -0.527 19893 286 1 1 . 1 1 60 60 GLU N N 60 117.847 117.847 118.446 -0.599 19893 287 1 1 . 1 1 60 60 GLU HA H 60 3.774 3.774 4.014 -0.240 19893 288 1 1 . 1 1 60 60 GLU C C 60 179.157 179.157 177.200 1.957 19893 289 1 1 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.495 1.279 19893 290 1 1 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.317 0.580 19893 291 1 1 . 1 1 60 60 GLU H H 60 8.623 8.623 8.474 0.149 19893 292 1 1 . 1 1 61 61 ALA N N 61 122.193 122.193 120.892 1.301 19893 293 1 1 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.332 -0.269 19893 294 1 1 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.309 1.025 19893 295 1 1 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.191 -0.832 19893 296 1 1 . 1 1 61 61 ALA H H 61 7.891 7.891 7.470 0.421 19893 297 1 1 . 1 1 62 62 LEU N N 62 120.135 120.135 120.468 -0.333 19893 298 1 1 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.116 -0.155 19893 299 1 1 . 1 1 62 62 LEU C C 62 178.813 178.813 178.509 0.304 19893 300 1 1 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.142 0.377 19893 301 1 1 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.560 1.124 19893 302 1 1 . 1 1 62 62 LEU H H 62 7.080 7.080 7.999 -0.919 19893 303 1 1 . 1 1 63 63 GLU N N 63 118.288 118.288 118.713 -0.425 19893 304 1 1 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.932 -0.226 19893 305 1 1 . 1 1 63 63 GLU C C 63 179.261 179.261 177.550 1.711 19893 306 1 1 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.537 0.659 19893 307 1 1 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.026 1.039 19893 308 1 1 . 1 1 63 63 GLU H H 63 7.594 7.594 7.845 -0.251 19893 309 1 1 . 1 1 64 64 LYS N N 64 116.167 116.167 119.427 -3.260 19893 310 1 1 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.114 -0.037 19893 311 1 1 . 1 1 64 64 LYS C C 64 177.763 177.763 176.741 1.022 19893 312 1 1 . 1 1 64 64 LYS H H 64 7.342 7.342 7.700 -0.358 19893 313 1 1 . 1 1 65 65 ASN N N 65 113.899 113.899 116.566 -2.667 19893 314 1 1 . 1 1 65 65 ASN HA H 65 4.955 4.955 5.011 -0.056 19893 315 1 1 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.389 0.464 19893 316 1 1 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.802 -0.339 19893 317 1 1 . 1 1 65 65 ASN H H 65 7.480 7.480 7.853 -0.373 19893 318 1 1 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.634 -0.039 19893 319 1 1 . 1 1 66 66 PRO C C 66 177.769 177.769 175.371 2.398 19893 320 1 1 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.362 2.115 19893 321 1 1 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.635 2.205 19893 322 1 1 . 1 1 67 67 LYS N N 67 115.189 115.189 122.051 -6.862 19893 323 1 1 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.477 -0.213 19893 324 1 1 . 1 1 67 67 LYS C C 67 178.271 178.271 174.501 3.770 19893 325 1 1 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.207 0.699 19893 326 1 1 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.861 -2.730 19893 327 1 1 . 1 1 67 67 LYS H H 67 7.611 7.611 7.729 -0.118 19893 328 1 1 . 1 1 68 68 ILE N N 68 118.905 118.905 123.114 -4.209 19893 329 1 1 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.333 -1.163 19893 330 1 1 . 1 1 68 68 ILE C C 68 177.006 177.006 175.432 1.574 19893 331 1 1 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.544 3.829 19893 332 1 1 . 1 1 68 68 ILE CB C 68 39.916 39.916 38.974 0.942 19893 333 1 1 . 1 1 68 68 ILE H H 68 7.662 7.662 8.508 -0.846 19893 334 1 1 . 1 1 69 69 ARG N N 69 119.690 119.690 129.191 -9.501 19893 335 1 1 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.601 0.355 19893 336 1 1 . 1 1 69 69 ARG C C 69 175.294 175.294 173.760 1.534 19893 337 1 1 . 1 1 69 69 ARG CA C 69 54.493 54.493 55.094 -0.601 19893 338 1 1 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.849 -3.362 19893 339 1 1 . 1 1 69 69 ARG H H 69 9.018 9.018 9.086 -0.068 19893 340 1 1 . 1 1 70 70 GLU N N 70 116.461 116.461 124.634 -8.173 19893 341 1 1 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.957 0.004 19893 342 1 1 . 1 1 70 70 GLU C C 70 174.398 174.398 174.434 -0.036 19893 343 1 1 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.531 0.006 19893 344 1 1 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.226 0.624 19893 345 1 1 . 1 1 70 70 GLU H H 70 7.565 7.565 8.477 -0.912 19893 346 1 1 . 1 1 71 71 VAL N N 71 116.838 116.838 121.377 -4.539 19893 347 1 1 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.153 0.308 19893 348 1 1 . 1 1 71 71 VAL CA C 71 61.024 61.024 59.827 1.197 19893 349 1 1 . 1 1 71 71 VAL CB C 71 35.777 35.777 35.478 0.298 19893 350 1 1 . 1 1 71 71 VAL H H 71 8.946 8.946 8.684 0.262 19893 351 1 1 . 1 1 72 72 TYR N N 72 125.566 125.566 121.543 4.023 19893 352 1 1 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.936 0.497 19893 353 1 1 . 1 1 72 72 TYR C C 72 176.183 176.183 175.588 0.595 19893 354 1 1 . 1 1 72 72 TYR CA C 72 57.950 57.950 56.956 0.994 19893 355 1 1 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.437 0.777 19893 356 1 1 . 1 1 72 72 TYR H H 72 8.689 8.689 8.533 0.156 19893 357 1 1 . 1 1 73 73 LEU N N 73 122.757 122.757 125.948 -3.191 19893 358 1 1 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.917 0.103 19893 359 1 1 . 1 1 73 73 LEU C C 73 176.134 176.134 176.121 0.013 19893 360 1 1 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.119 -0.411 19893 361 1 1 . 1 1 73 73 LEU CB C 73 46.349 46.349 44.187 2.162 19893 362 1 1 . 1 1 73 73 LEU H H 73 9.202 9.202 9.143 0.059 19893 363 1 1 . 1 1 74 74 LYS N N 74 124.941 124.941 125.088 -0.147 19893 364 1 1 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.052 0.284 19893 365 1 1 . 1 1 74 74 LYS CA C 74 53.473 53.473 53.228 0.244 19893 366 1 1 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.068 0.918 19893 367 1 1 . 1 1 74 74 LYS H H 74 9.205 9.205 8.738 0.467 19893 368 1 1 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.432 1.527 19893 369 1 1 . 1 1 75 75 PRO C C 75 176.549 176.549 176.461 0.088 19893 370 1 1 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.104 1.346 19893 371 1 1 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.679 0.939 19893 372 1 1 . 1 1 76 76 ARG N N 76 122.429 122.429 119.567 2.862 19893 373 1 1 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.208 0.200 19893 374 1 1 . 1 1 76 76 ARG C C 76 178.244 178.244 174.698 3.546 19893 375 1 1 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.005 1.818 19893 376 1 1 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.825 4.630 19893 377 1 1 . 1 1 76 76 ARG H H 76 10.063 10.063 7.894 2.169 19893 378 1 1 . 1 1 77 77 ALA N N 77 127.287 127.287 123.548 3.739 19893 379 1 1 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.909 -0.768 19893 380 1 1 . 1 1 77 77 ALA C C 77 179.691 179.691 176.494 3.197 19893 381 1 1 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.281 4.587 19893 382 1 1 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.870 -1.368 19893 383 1 1 . 1 1 77 77 ALA H H 77 9.710 9.710 7.846 1.864 19893 384 1 1 . 1 1 78 78 VAL N N 78 118.326 118.326 118.738 -0.412 19893 385 1 1 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.220 -0.199 19893 386 1 1 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.102 0.379 19893 387 1 1 . 1 1 78 78 VAL CB C 78 32.599 32.599 33.748 -1.149 19893 388 1 1 . 1 1 78 78 VAL H H 78 7.954 7.954 8.475 -0.521 19893 389 1 1 . 1 1 79 79 LYS N N 79 125.429 125.429 119.033 6.396 19893 390 1 1 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.673 4.115 19893 391 1 1 . 1 1 79 79 LYS H H 79 8.695 8.695 8.433 0.262 19893 392 1 1 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.690 0.100 19893 393 1 1 . 1 1 80 80 ASN C C 80 175.317 175.317 174.455 0.862 19893 394 1 1 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.223 0.481 19893 395 1 1 . 1 1 80 80 ASN CB C 80 38.854 38.854 37.625 1.229 19893 396 1 1 . 1 1 81 81 SER N N 81 113.408 113.408 120.606 -7.198 19893 397 1 1 . 1 1 81 81 SER HA H 81 4.408 4.408 4.722 -0.314 19893 398 1 1 . 1 1 81 81 SER CA C 81 59.296 59.296 58.633 0.663 19893 399 1 1 . 1 1 81 81 SER CB C 81 64.171 64.171 63.502 0.669 19893 400 1 1 . 1 1 81 81 SER H H 81 7.715 7.715 8.255 -0.540 19893 401 1 1 . 1 1 82 82 SER N N 82 117.894 117.894 115.779 2.115 19893 402 1 1 . 1 1 82 82 SER HA H 82 4.541 4.541 4.701 -0.160 19893 403 1 1 . 1 1 82 82 SER C C 82 174.196 174.196 172.879 1.317 19893 404 1 1 . 1 1 82 82 SER CA C 82 58.767 58.767 59.023 -0.256 19893 405 1 1 . 1 1 82 82 SER CB C 82 64.382 64.382 64.724 -0.342 19893 406 1 1 . 1 1 82 82 SER H H 82 8.472 8.472 8.169 0.303 19893 407 1 1 . 1 1 83 83 VAL N N 83 122.430 122.430 121.771 0.659 19893 408 1 1 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.592 -0.191 19893 409 1 1 . 1 1 83 83 VAL C C 83 174.614 174.614 173.852 0.762 19893 410 1 1 . 1 1 83 83 VAL CA C 83 62.532 62.532 59.944 2.588 19893 411 1 1 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.233 1.155 19893 412 1 1 . 1 1 83 83 VAL H H 83 7.686 7.686 7.878 -0.192 19893 413 1 1 . 1 1 84 84 GLN N N 84 123.141 123.141 125.379 -2.238 19893 414 1 1 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.310 -0.523 19893 415 1 1 . 1 1 84 84 GLN C C 84 174.077 174.077 174.283 -0.206 19893 416 1 1 . 1 1 84 84 GLN CA C 84 55.073 55.073 53.753 1.320 19893 417 1 1 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.774 -0.051 19893 418 1 1 . 1 1 84 84 GLN H H 84 8.287 8.287 8.906 -0.619 19893 419 1 1 . 1 1 85 85 PHE N N 85 121.281 121.281 120.537 0.744 19893 420 1 1 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.071 0.217 19893 421 1 1 . 1 1 85 85 PHE C C 85 175.063 175.063 175.902 -0.839 19893 422 1 1 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.274 1.161 19893 423 1 1 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.193 -1.985 19893 424 1 1 . 1 1 85 85 PHE H H 85 9.241 9.241 9.764 -0.523 19893 425 1 1 . 1 1 86 86 HIS N N 86 125.300 125.300 119.010 6.290 19893 426 1 1 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.079 -0.332 19893 427 1 1 . 1 1 86 86 HIS C C 86 172.315 172.315 173.628 -1.313 19893 428 1 1 . 1 1 86 86 HIS CA C 86 52.353 52.353 54.407 -2.054 19893 429 1 1 . 1 1 86 86 HIS CB C 86 30.085 30.085 33.154 -3.069 19893 430 1 1 . 1 1 86 86 HIS H H 86 9.340 9.340 8.581 0.759 19893 431 1 1 . 1 1 87 87 VAL N N 87 127.396 127.396 123.012 4.384 19893 432 1 1 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.221 -0.998 19893 433 1 1 . 1 1 87 87 VAL C C 87 173.887 173.887 173.434 0.453 19893 434 1 1 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.964 2.174 19893 435 1 1 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.646 -3.670 19893 436 1 1 . 1 1 87 87 VAL H H 87 8.722 8.722 9.222 -0.500 19893 437 1 1 . 1 1 88 88 ILE N N 88 127.814 127.814 130.475 -2.661 19893 438 1 1 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.175 -0.390 19893 439 1 1 . 1 1 88 88 ILE C C 88 174.542 174.542 175.323 -0.781 19893 440 1 1 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.629 0.791 19893 441 1 1 . 1 1 88 88 ILE CB C 88 41.068 41.068 37.818 3.250 19893 442 1 1 . 1 1 88 88 ILE H H 88 8.605 8.605 8.537 0.068 19893 443 1 1 . 1 1 89 89 PHE N N 89 125.156 125.156 128.867 -3.711 19893 444 1 1 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.118 0.563 19893 445 1 1 . 1 1 89 89 PHE C C 89 175.138 175.138 175.766 -0.628 19893 446 1 1 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.091 -1.772 19893 447 1 1 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.605 1.805 19893 448 1 1 . 1 1 89 89 PHE H H 89 7.872 7.872 9.095 -1.223 19893 449 1 1 . 1 1 90 90 ASP N N 90 125.113 125.113 126.763 -1.650 19893 450 1 1 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.887 -0.076 19893 451 1 1 . 1 1 90 90 ASP C C 90 176.988 176.988 175.367 1.621 19893 452 1 1 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.996 0.505 19893 453 1 1 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.242 1.044 19893 454 1 1 . 1 1 90 90 ASP H H 90 8.740 8.740 8.892 -0.152 19893 455 1 1 . 1 1 91 91 GLU N N 91 124.589 124.589 127.163 -2.574 19893 456 1 1 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.603 -0.229 19893 457 1 1 . 1 1 91 91 GLU C C 91 175.801 175.801 174.970 0.831 19893 458 1 1 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.085 3.386 19893 459 1 1 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.982 1.210 19893 460 1 1 . 1 1 91 91 GLU H H 91 9.028 9.028 8.058 0.970 19893 461 1 2 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.563 -0.211 19893 462 1 2 . 1 1 8 8 PRO C C 8 176.467 176.467 175.612 0.855 19893 463 1 2 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.558 0.805 19893 464 1 2 . 1 1 8 8 PRO CB C 8 32.389 32.389 29.498 2.891 19893 465 1 2 . 1 1 9 9 ALA N N 9 124.419 124.419 122.964 1.455 19893 466 1 2 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.389 0.018 19893 467 1 2 . 1 1 9 9 ALA C C 9 177.826 177.826 176.901 0.925 19893 468 1 2 . 1 1 9 9 ALA CA C 9 52.552 52.552 51.432 1.120 19893 469 1 2 . 1 1 9 9 ALA CB C 9 19.854 19.854 20.069 -0.215 19893 470 1 2 . 1 1 9 9 ALA H H 9 8.301 8.301 7.837 0.464 19893 471 1 2 . 1 1 10 10 VAL N N 10 120.778 120.778 120.793 -0.015 19893 472 1 2 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.152 0.007 19893 473 1 2 . 1 1 10 10 VAL C C 10 175.233 175.233 174.334 0.899 19893 474 1 2 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.845 0.288 19893 475 1 2 . 1 1 10 10 VAL CB C 10 33.820 33.820 34.178 -0.358 19893 476 1 2 . 1 1 10 10 VAL H H 10 8.095 8.095 7.913 0.182 19893 477 1 2 . 1 1 11 11 ASP N N 11 125.133 125.133 127.731 -2.598 19893 478 1 2 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.187 -0.155 19893 479 1 2 . 1 1 11 11 ASP C C 11 176.892 176.892 175.186 1.706 19893 480 1 2 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.858 1.735 19893 481 1 2 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.752 -0.090 19893 482 1 2 . 1 1 11 11 ASP H H 11 8.285 8.285 8.453 -0.168 19893 483 1 2 . 1 1 12 12 VAL N N 12 124.553 124.553 123.916 0.637 19893 484 1 2 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.501 -0.376 19893 485 1 2 . 1 1 12 12 VAL C C 12 175.226 175.226 174.305 0.921 19893 486 1 2 . 1 1 12 12 VAL CA C 12 62.622 62.622 59.877 2.745 19893 487 1 2 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.737 -2.409 19893 488 1 2 . 1 1 12 12 VAL H H 12 8.615 8.615 8.451 0.164 19893 489 1 2 . 1 1 13 13 GLU N N 13 130.776 130.776 123.517 7.259 19893 490 1 2 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.169 -0.078 19893 491 1 2 . 1 1 13 13 GLU C C 13 175.853 175.853 175.303 0.550 19893 492 1 2 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.227 1.042 19893 493 1 2 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.873 -0.237 19893 494 1 2 . 1 1 13 13 GLU H H 13 8.796 8.796 8.558 0.238 19893 495 1 2 . 1 1 14 14 ILE N N 14 128.969 128.969 124.549 4.420 19893 496 1 2 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.578 -0.205 19893 497 1 2 . 1 1 14 14 ILE C C 14 174.048 174.048 173.960 0.088 19893 498 1 2 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.877 -1.097 19893 499 1 2 . 1 1 14 14 ILE CB C 14 41.986 41.986 40.683 1.303 19893 500 1 2 . 1 1 14 14 ILE H H 14 8.602 8.602 9.259 -0.657 19893 501 1 2 . 1 1 15 15 HIS N N 15 124.354 124.354 126.099 -1.745 19893 502 1 2 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.992 0.262 19893 503 1 2 . 1 1 15 15 HIS C C 15 174.830 174.830 173.924 0.906 19893 504 1 2 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.413 0.974 19893 505 1 2 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.828 -1.324 19893 506 1 2 . 1 1 15 15 HIS H H 15 8.926 8.926 9.897 -0.971 19893 507 1 2 . 1 1 16 16 PHE N N 16 117.887 117.887 126.151 -8.264 19893 508 1 2 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.956 0.645 19893 509 1 2 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.514 -1.954 19893 510 1 2 . 1 1 16 16 PHE CB C 16 42.990 42.990 40.919 2.071 19893 511 1 2 . 1 1 16 16 PHE H H 16 8.758 8.758 9.065 -0.307 19893 512 1 2 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.939 -0.180 19893 513 1 2 . 1 1 17 17 PRO C C 17 178.833 178.833 176.012 2.821 19893 514 1 2 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.217 0.841 19893 515 1 2 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.321 -1.361 19893 516 1 2 . 1 1 18 18 LEU N N 18 131.092 131.092 121.601 9.491 19893 517 1 2 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.235 -0.489 19893 518 1 2 . 1 1 18 18 LEU C C 18 177.657 177.657 176.419 1.238 19893 519 1 2 . 1 1 18 18 LEU CA C 18 59.042 59.042 55.508 3.534 19893 520 1 2 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.458 2.316 19893 521 1 2 . 1 1 18 18 LEU H H 18 9.189 9.189 8.353 0.836 19893 522 1 2 . 1 1 19 19 LYS N N 19 113.358 113.358 113.598 -0.240 19893 523 1 2 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.401 -0.486 19893 524 1 2 . 1 1 19 19 LYS C C 19 179.580 179.580 176.554 3.026 19893 525 1 2 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.007 3.468 19893 526 1 2 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.198 -0.522 19893 527 1 2 . 1 1 19 19 LYS H H 19 8.967 8.967 7.784 1.183 19893 528 1 2 . 1 1 20 20 ARG N N 20 113.649 113.649 119.181 -5.532 19893 529 1 2 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.529 -0.177 19893 530 1 2 . 1 1 20 20 ARG C C 20 179.148 179.148 177.793 1.355 19893 531 1 2 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.696 1.107 19893 532 1 2 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.509 -1.379 19893 533 1 2 . 1 1 20 20 ARG H H 20 7.118 7.118 8.074 -0.956 19893 534 1 2 . 1 1 21 21 ILE N N 21 117.305 117.305 117.422 -0.117 19893 535 1 2 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.027 0.291 19893 536 1 2 . 1 1 21 21 ILE C C 21 175.336 175.336 175.476 -0.140 19893 537 1 2 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.483 -1.891 19893 538 1 2 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.829 2.188 19893 539 1 2 . 1 1 21 21 ILE H H 21 7.752 7.752 7.862 -0.110 19893 540 1 2 . 1 1 22 22 ALA N N 22 123.637 123.637 119.799 3.838 19893 541 1 2 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.328 -0.241 19893 542 1 2 . 1 1 22 22 ALA C C 22 177.701 177.701 176.762 0.939 19893 543 1 2 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.608 1.782 19893 544 1 2 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.381 0.667 19893 545 1 2 . 1 1 22 22 ALA H H 22 7.759 7.759 7.777 -0.018 19893 546 1 2 . 1 1 23 23 ALA N N 23 120.182 120.182 122.451 -2.269 19893 547 1 2 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.136 0.149 19893 548 1 2 . 1 1 23 23 ALA C C 23 178.285 178.285 177.612 0.673 19893 549 1 2 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.514 -0.608 19893 550 1 2 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.169 0.021 19893 551 1 2 . 1 1 23 23 ALA H H 23 6.732 6.732 7.879 -1.147 19893 552 1 2 . 1 1 24 24 GLU N N 24 119.837 119.837 115.635 4.202 19893 553 1 2 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.408 -0.243 19893 554 1 2 . 1 1 24 24 GLU C C 24 179.026 179.026 177.696 1.330 19893 555 1 2 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.218 3.264 19893 556 1 2 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.684 -0.707 19893 557 1 2 . 1 1 24 24 GLU H H 24 8.830 8.830 7.813 1.017 19893 558 1 2 . 1 1 25 25 GLY N N 25 107.505 107.505 109.816 -2.311 19893 559 1 2 . 1 1 25 25 GLY C C 25 176.338 176.338 175.656 0.682 19893 560 1 2 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.517 -0.440 19893 561 1 2 . 1 1 25 25 GLY H H 25 8.425 8.425 8.470 -0.045 19893 562 1 2 . 1 1 26 26 TYR N N 26 119.505 119.505 122.140 -2.635 19893 563 1 2 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.989 0.267 19893 564 1 2 . 1 1 26 26 TYR C C 26 176.005 176.005 177.776 -1.771 19893 565 1 2 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.523 -0.808 19893 566 1 2 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.083 -0.586 19893 567 1 2 . 1 1 26 26 TYR H H 26 7.262 7.262 8.006 -0.744 19893 568 1 2 . 1 1 27 27 ALA N N 27 122.574 122.574 118.930 3.644 19893 569 1 2 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.924 -0.460 19893 570 1 2 . 1 1 27 27 ALA C C 27 178.550 178.550 179.085 -0.535 19893 571 1 2 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.896 -0.724 19893 572 1 2 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.059 0.016 19893 573 1 2 . 1 1 27 27 ALA H H 27 6.867 6.867 7.877 -1.010 19893 574 1 2 . 1 1 28 28 GLU N N 28 114.244 114.244 119.132 -4.888 19893 575 1 2 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.822 0.517 19893 576 1 2 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.245 -3.993 19893 577 1 2 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.196 1.249 19893 578 1 2 . 1 1 28 28 GLU H H 28 7.285 7.285 8.124 -0.839 19893 579 1 2 . 1 1 29 29 ASP N N 29 120.177 120.177 118.463 1.714 19893 580 1 2 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.390 0.067 19893 581 1 2 . 1 1 29 29 ASP C C 29 177.771 177.771 178.523 -0.752 19893 582 1 2 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.244 -2.796 19893 583 1 2 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.172 0.517 19893 584 1 2 . 1 1 29 29 ASP H H 29 7.083 7.083 8.154 -1.071 19893 585 1 2 . 1 1 30 30 GLU N N 30 129.724 129.724 119.817 9.907 19893 586 1 2 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.235 -0.273 19893 587 1 2 . 1 1 30 30 GLU C C 30 178.184 178.184 178.932 -0.748 19893 588 1 2 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.777 0.579 19893 589 1 2 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.170 0.111 19893 590 1 2 . 1 1 30 30 GLU H H 30 9.081 9.081 7.764 1.317 19893 591 1 2 . 1 1 31 31 LEU N N 31 120.990 120.990 121.265 -0.275 19893 592 1 2 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.063 0.096 19893 593 1 2 . 1 1 31 31 LEU C C 31 180.910 180.910 179.181 1.729 19893 594 1 2 . 1 1 31 31 LEU CA C 31 59.080 59.080 57.937 1.143 19893 595 1 2 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.228 -0.546 19893 596 1 2 . 1 1 31 31 LEU H H 31 8.323 8.323 7.833 0.490 19893 597 1 2 . 1 1 32 32 LEU N N 32 116.856 116.856 117.609 -0.753 19893 598 1 2 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.251 -0.299 19893 599 1 2 . 1 1 32 32 LEU C C 32 179.086 179.086 179.080 0.006 19893 600 1 2 . 1 1 32 32 LEU CA C 32 58.018 58.018 56.195 1.823 19893 601 1 2 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.089 0.862 19893 602 1 2 . 1 1 32 32 LEU H H 32 7.225 7.225 8.416 -1.191 19893 603 1 2 . 1 1 33 33 LEU N N 33 117.769 117.769 123.026 -5.257 19893 604 1 2 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.897 0.025 19893 605 1 2 . 1 1 33 33 LEU C C 33 181.207 181.207 178.158 3.049 19893 606 1 2 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.614 0.196 19893 607 1 2 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.318 0.794 19893 608 1 2 . 1 1 33 33 LEU H H 33 6.943 6.943 7.776 -0.833 19893 609 1 2 . 1 1 34 34 ASN N N 34 118.848 118.848 116.254 2.594 19893 610 1 2 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.349 0.187 19893 611 1 2 . 1 1 34 34 ASN C C 34 178.881 178.881 178.030 0.851 19893 612 1 2 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.153 0.150 19893 613 1 2 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.661 -0.081 19893 614 1 2 . 1 1 34 34 ASN H H 34 8.320 8.320 7.885 0.435 19893 615 1 2 . 1 1 35 35 GLN N N 35 118.808 118.808 119.271 -0.463 19893 616 1 2 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.081 0.266 19893 617 1 2 . 1 1 35 35 GLN C C 35 177.483 177.483 178.252 -0.769 19893 618 1 2 . 1 1 35 35 GLN CA C 35 57.275 57.275 59.310 -2.035 19893 619 1 2 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.963 0.915 19893 620 1 2 . 1 1 35 35 GLN H H 35 8.053 8.053 8.585 -0.532 19893 621 1 2 . 1 1 36 36 MET N N 36 116.334 116.334 118.365 -2.031 19893 622 1 2 . 1 1 36 36 MET HA H 36 4.718 4.718 4.331 0.387 19893 623 1 2 . 1 1 36 36 MET C C 36 177.424 177.424 178.953 -1.529 19893 624 1 2 . 1 1 36 36 MET CA C 36 54.879 54.879 57.264 -2.385 19893 625 1 2 . 1 1 36 36 MET CB C 36 31.263 31.263 31.303 -0.040 19893 626 1 2 . 1 1 36 36 MET H H 36 7.596 7.596 7.569 0.027 19893 627 1 2 . 1 1 37 37 GLY N N 37 106.238 106.238 106.521 -0.283 19893 628 1 2 . 1 1 37 37 GLY C C 37 175.666 175.666 175.163 0.503 19893 629 1 2 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.477 1.096 19893 630 1 2 . 1 1 37 37 GLY H H 37 7.827 7.827 7.983 -0.156 19893 631 1 2 . 1 1 38 38 LYS N N 38 120.688 120.688 120.002 0.686 19893 632 1 2 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.175 0.238 19893 633 1 2 . 1 1 38 38 LYS C C 38 176.395 176.395 178.939 -2.544 19893 634 1 2 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.375 -2.043 19893 635 1 2 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.926 -0.835 19893 636 1 2 . 1 1 38 38 LYS H H 38 8.543 8.543 7.612 0.931 19893 637 1 2 . 1 1 39 39 VAL N N 39 123.143 123.143 115.494 7.649 19893 638 1 2 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.948 0.129 19893 639 1 2 . 1 1 39 39 VAL CA C 39 62.829 62.829 64.846 -2.017 19893 640 1 2 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.228 1.482 19893 641 1 2 . 1 1 39 39 VAL H H 39 7.711 7.711 8.309 -0.598 19893 642 1 2 . 1 1 40 40 ASN N N 40 125.464 125.464 116.469 8.995 19893 643 1 2 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.854 -0.071 19893 644 1 2 . 1 1 40 40 ASN C C 40 174.870 174.870 173.612 1.258 19893 645 1 2 . 1 1 40 40 ASN CA C 40 53.494 53.494 54.230 -0.736 19893 646 1 2 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.297 0.096 19893 647 1 2 . 1 1 40 40 ASN H H 40 8.692 8.692 8.287 0.405 19893 648 1 2 . 1 1 41 41 ASP N N 41 116.195 116.195 119.134 -2.939 19893 649 1 2 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.443 0.690 19893 650 1 2 . 1 1 41 41 ASP C C 41 177.048 177.048 175.850 1.198 19893 651 1 2 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.296 1.126 19893 652 1 2 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.524 3.829 19893 653 1 2 . 1 1 41 41 ASP H H 41 8.403 8.403 8.626 -0.223 19893 654 1 2 . 1 1 42 42 THR N N 42 111.139 111.139 109.449 1.690 19893 655 1 2 . 1 1 42 42 THR HA H 42 4.646 4.646 4.356 0.290 19893 656 1 2 . 1 1 42 42 THR CA C 42 57.844 57.844 62.321 -4.477 19893 657 1 2 . 1 1 42 42 THR CB C 42 70.269 70.269 67.997 2.272 19893 658 1 2 . 1 1 42 42 THR H H 42 7.532 7.532 7.730 -0.198 19893 659 1 2 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.679 -0.145 19893 660 1 2 . 1 1 43 43 PRO C C 43 175.550 175.550 176.471 -0.921 19893 661 1 2 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.123 1.001 19893 662 1 2 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.598 3.852 19893 663 1 2 . 1 1 44 44 GLU N N 44 121.809 121.809 122.687 -0.878 19893 664 1 2 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.373 -0.235 19893 665 1 2 . 1 1 44 44 GLU C C 44 176.266 176.266 176.043 0.223 19893 666 1 2 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.973 2.610 19893 667 1 2 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.408 0.470 19893 668 1 2 . 1 1 44 44 GLU H H 44 8.515 8.515 8.048 0.467 19893 669 1 2 . 1 1 45 45 GLU N N 45 122.167 122.167 119.915 2.252 19893 670 1 2 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.482 -0.130 19893 671 1 2 . 1 1 45 45 GLU C C 45 175.468 175.468 176.457 -0.989 19893 672 1 2 . 1 1 45 45 GLU CA C 45 54.805 54.805 56.614 -1.809 19893 673 1 2 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.648 1.777 19893 674 1 2 . 1 1 45 45 GLU H H 45 8.406 8.406 8.707 -0.301 19893 675 1 2 . 1 1 46 46 GLU N N 46 123.100 123.100 119.760 3.340 19893 676 1 2 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.578 -0.830 19893 677 1 2 . 1 1 46 46 GLU C C 46 177.108 177.108 175.483 1.625 19893 678 1 2 . 1 1 46 46 GLU CA C 46 57.786 57.786 55.912 1.874 19893 679 1 2 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.646 -2.029 19893 680 1 2 . 1 1 46 46 GLU H H 46 8.729 8.729 8.255 0.474 19893 681 1 2 . 1 1 47 47 GLY N N 47 102.684 102.684 108.265 -5.581 19893 682 1 2 . 1 1 47 47 GLY C C 47 174.278 174.278 172.824 1.454 19893 683 1 2 . 1 1 47 47 GLY CA C 47 45.972 45.972 46.203 -0.231 19893 684 1 2 . 1 1 47 47 GLY H H 47 8.513 8.513 8.977 -0.464 19893 685 1 2 . 1 1 48 48 MET N N 48 120.460 120.460 120.917 -0.457 19893 686 1 2 . 1 1 48 48 MET HA H 48 5.004 5.004 4.890 0.114 19893 687 1 2 . 1 1 48 48 MET CA C 48 53.307 53.307 53.069 0.238 19893 688 1 2 . 1 1 48 48 MET CB C 48 35.537 35.537 34.265 1.272 19893 689 1 2 . 1 1 48 48 MET H H 48 8.056 8.056 7.999 0.057 19893 690 1 2 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.126 0.025 19893 691 1 2 . 1 1 50 50 LEU C C 50 179.381 179.381 178.606 0.775 19893 692 1 2 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.595 1.289 19893 693 1 2 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.757 0.038 19893 694 1 2 . 1 1 51 51 ARG N N 51 113.058 113.058 119.148 -6.090 19893 695 1 2 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.743 0.083 19893 696 1 2 . 1 1 51 51 ARG C C 51 178.376 178.376 177.625 0.751 19893 697 1 2 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.102 2.372 19893 698 1 2 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.801 2.294 19893 699 1 2 . 1 1 51 51 ARG H H 51 8.076 8.076 8.441 -0.365 19893 700 1 2 . 1 1 52 52 ALA N N 52 118.144 118.144 123.302 -5.158 19893 701 1 2 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.030 0.060 19893 702 1 2 . 1 1 52 52 ALA C C 52 180.673 180.673 179.851 0.822 19893 703 1 2 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.870 0.101 19893 704 1 2 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.187 0.731 19893 705 1 2 . 1 1 52 52 ALA H H 52 7.095 7.095 8.140 -1.045 19893 706 1 2 . 1 1 53 53 TRP N N 53 121.809 121.809 117.152 4.657 19893 707 1 2 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.564 -0.255 19893 708 1 2 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.537 4.395 19893 709 1 2 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.846 -0.334 19893 710 1 2 . 1 1 53 53 TRP H H 53 8.608 8.608 7.887 0.721 19893 711 1 2 . 1 1 54 54 VAL N N 54 120.508 120.508 122.755 -2.247 19893 712 1 2 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.863 -0.019 19893 713 1 2 . 1 1 54 54 VAL C C 54 177.917 177.917 178.045 -0.128 19893 714 1 2 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.177 1.257 19893 715 1 2 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.869 0.648 19893 716 1 2 . 1 1 54 54 VAL H H 54 8.352 8.352 7.045 1.307 19893 717 1 2 . 1 1 55 55 ILE N N 55 118.131 118.131 119.314 -1.183 19893 718 1 2 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.950 -0.623 19893 719 1 2 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.820 0.970 19893 720 1 2 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.506 1.763 19893 721 1 2 . 1 1 55 55 ILE H H 55 7.574 7.574 8.214 -0.640 19893 722 1 2 . 1 1 56 56 LYS N N 56 120.517 120.517 121.370 -0.853 19893 723 1 2 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.150 -0.098 19893 724 1 2 . 1 1 56 56 LYS C C 56 179.574 179.574 178.806 0.768 19893 725 1 2 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.988 0.587 19893 726 1 2 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.381 0.750 19893 727 1 2 . 1 1 56 56 LYS H H 56 8.354 8.354 8.023 0.331 19893 728 1 2 . 1 1 57 57 CYS N N 57 116.239 116.239 117.497 -1.258 19893 729 1 2 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.102 -0.188 19893 730 1 2 . 1 1 57 57 CYS C C 57 178.985 178.985 177.085 1.900 19893 731 1 2 . 1 1 57 57 CYS CA C 57 63.432 63.432 63.221 0.211 19893 732 1 2 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.151 0.438 19893 733 1 2 . 1 1 57 57 CYS H H 57 8.501 8.501 8.450 0.051 19893 734 1 2 . 1 1 58 58 ALA N N 58 123.819 123.819 123.955 -0.136 19893 735 1 2 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.309 -0.274 19893 736 1 2 . 1 1 58 58 ALA C C 58 177.753 177.753 178.620 -0.867 19893 737 1 2 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.667 0.410 19893 738 1 2 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.463 -0.234 19893 739 1 2 . 1 1 58 58 ALA H H 58 8.605 8.605 8.578 0.027 19893 740 1 2 . 1 1 59 59 HIS N N 59 115.595 115.595 116.882 -1.287 19893 741 1 2 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.225 -0.710 19893 742 1 2 . 1 1 59 59 HIS C C 59 177.271 177.271 177.600 -0.329 19893 743 1 2 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.404 1.296 19893 744 1 2 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.661 -1.870 19893 745 1 2 . 1 1 59 59 HIS H H 59 8.132 8.132 8.621 -0.489 19893 746 1 2 . 1 1 60 60 GLU N N 60 117.847 117.847 120.181 -2.334 19893 747 1 2 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.915 -0.141 19893 748 1 2 . 1 1 60 60 GLU C C 60 179.157 179.157 178.533 0.624 19893 749 1 2 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.578 1.196 19893 750 1 2 . 1 1 60 60 GLU CB C 60 29.897 29.897 28.984 0.913 19893 751 1 2 . 1 1 60 60 GLU H H 60 8.623 8.623 7.588 1.035 19893 752 1 2 . 1 1 61 61 ALA N N 61 122.193 122.193 121.136 1.057 19893 753 1 2 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.141 -0.078 19893 754 1 2 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.513 0.821 19893 755 1 2 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.850 -0.491 19893 756 1 2 . 1 1 61 61 ALA H H 61 7.891 7.891 7.926 -0.035 19893 757 1 2 . 1 1 62 62 LEU N N 62 120.135 120.135 118.058 2.077 19893 758 1 2 . 1 1 62 62 LEU HA H 62 3.961 3.961 3.895 0.066 19893 759 1 2 . 1 1 62 62 LEU C C 62 178.813 178.813 177.758 1.055 19893 760 1 2 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.724 0.795 19893 761 1 2 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.251 1.433 19893 762 1 2 . 1 1 62 62 LEU H H 62 7.080 7.080 7.782 -0.702 19893 763 1 2 . 1 1 63 63 GLU N N 63 118.288 118.288 118.402 -0.114 19893 764 1 2 . 1 1 63 63 GLU HA H 63 3.706 3.706 4.015 -0.309 19893 765 1 2 . 1 1 63 63 GLU C C 63 179.261 179.261 177.775 1.486 19893 766 1 2 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.619 0.577 19893 767 1 2 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.441 0.624 19893 768 1 2 . 1 1 63 63 GLU H H 63 7.594 7.594 7.762 -0.168 19893 769 1 2 . 1 1 64 64 LYS N N 64 116.167 116.167 119.181 -3.014 19893 770 1 2 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.121 -0.044 19893 771 1 2 . 1 1 64 64 LYS C C 64 177.763 177.763 176.797 0.966 19893 772 1 2 . 1 1 64 64 LYS H H 64 7.342 7.342 7.533 -0.191 19893 773 1 2 . 1 1 65 65 ASN N N 65 113.899 113.899 117.153 -3.254 19893 774 1 2 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.949 0.006 19893 775 1 2 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.412 0.441 19893 776 1 2 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.714 -0.251 19893 777 1 2 . 1 1 65 65 ASN H H 65 7.480 7.480 7.972 -0.492 19893 778 1 2 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.740 -0.145 19893 779 1 2 . 1 1 66 66 PRO C C 66 177.769 177.769 175.481 2.288 19893 780 1 2 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.110 2.367 19893 781 1 2 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.632 2.208 19893 782 1 2 . 1 1 67 67 LYS N N 67 115.189 115.189 119.932 -4.743 19893 783 1 2 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.471 -0.207 19893 784 1 2 . 1 1 67 67 LYS C C 67 178.271 178.271 174.274 3.997 19893 785 1 2 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.456 0.450 19893 786 1 2 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.076 -2.945 19893 787 1 2 . 1 1 67 67 LYS H H 67 7.611 7.611 7.433 0.178 19893 788 1 2 . 1 1 68 68 ILE N N 68 118.905 118.905 122.892 -3.987 19893 789 1 2 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.461 -1.291 19893 790 1 2 . 1 1 68 68 ILE C C 68 177.006 177.006 174.781 2.225 19893 791 1 2 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.945 3.428 19893 792 1 2 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.005 0.911 19893 793 1 2 . 1 1 68 68 ILE H H 68 7.662 7.662 8.506 -0.844 19893 794 1 2 . 1 1 69 69 ARG N N 69 119.690 119.690 128.758 -9.068 19893 795 1 2 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.684 0.272 19893 796 1 2 . 1 1 69 69 ARG C C 69 175.294 175.294 173.832 1.462 19893 797 1 2 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.387 0.106 19893 798 1 2 . 1 1 69 69 ARG CB C 69 31.487 31.487 35.407 -3.920 19893 799 1 2 . 1 1 69 69 ARG H H 69 9.018 9.018 9.096 -0.078 19893 800 1 2 . 1 1 70 70 GLU N N 70 116.461 116.461 121.510 -5.049 19893 801 1 2 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.800 0.161 19893 802 1 2 . 1 1 70 70 GLU C C 70 174.398 174.398 174.993 -0.595 19893 803 1 2 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.458 0.079 19893 804 1 2 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.307 0.543 19893 805 1 2 . 1 1 70 70 GLU H H 70 7.565 7.565 8.466 -0.901 19893 806 1 2 . 1 1 71 71 VAL N N 71 116.838 116.838 119.367 -2.529 19893 807 1 2 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.386 0.075 19893 808 1 2 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.309 0.716 19893 809 1 2 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.539 -0.762 19893 810 1 2 . 1 1 71 71 VAL H H 71 8.946 8.946 8.407 0.539 19893 811 1 2 . 1 1 72 72 TYR N N 72 125.566 125.566 121.398 4.168 19893 812 1 2 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.944 0.489 19893 813 1 2 . 1 1 72 72 TYR C C 72 176.183 176.183 173.594 2.589 19893 814 1 2 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.123 2.827 19893 815 1 2 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.250 0.963 19893 816 1 2 . 1 1 72 72 TYR H H 72 8.689 8.689 8.126 0.563 19893 817 1 2 . 1 1 73 73 LEU N N 73 122.757 122.757 124.954 -2.197 19893 818 1 2 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.690 0.330 19893 819 1 2 . 1 1 73 73 LEU C C 73 176.134 176.134 175.511 0.623 19893 820 1 2 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.657 0.051 19893 821 1 2 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.990 0.359 19893 822 1 2 . 1 1 73 73 LEU H H 73 9.202 9.202 8.918 0.284 19893 823 1 2 . 1 1 74 74 LYS N N 74 124.941 124.941 124.700 0.241 19893 824 1 2 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.006 0.330 19893 825 1 2 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.538 0.935 19893 826 1 2 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.734 0.252 19893 827 1 2 . 1 1 74 74 LYS H H 74 9.205 9.205 8.588 0.617 19893 828 1 2 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.860 1.099 19893 829 1 2 . 1 1 75 75 PRO C C 75 176.549 176.549 176.941 -0.392 19893 830 1 2 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.720 0.730 19893 831 1 2 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.658 0.960 19893 832 1 2 . 1 1 76 76 ARG N N 76 122.429 122.429 123.832 -1.403 19893 833 1 2 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.148 0.260 19893 834 1 2 . 1 1 76 76 ARG C C 76 178.244 178.244 174.597 3.647 19893 835 1 2 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.437 1.386 19893 836 1 2 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.994 4.461 19893 837 1 2 . 1 1 76 76 ARG H H 76 10.063 10.063 7.975 2.088 19893 838 1 2 . 1 1 77 77 ALA N N 77 127.287 127.287 123.351 3.936 19893 839 1 2 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.639 -0.498 19893 840 1 2 . 1 1 77 77 ALA C C 77 179.691 179.691 176.440 3.251 19893 841 1 2 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.813 4.054 19893 842 1 2 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.787 -1.285 19893 843 1 2 . 1 1 77 77 ALA H H 77 9.710 9.710 8.121 1.589 19893 844 1 2 . 1 1 78 78 VAL N N 78 118.326 118.326 117.108 1.218 19893 845 1 2 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.268 -0.247 19893 846 1 2 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.239 0.242 19893 847 1 2 . 1 1 78 78 VAL CB C 78 32.599 32.599 34.366 -1.767 19893 848 1 2 . 1 1 78 78 VAL H H 78 7.954 7.954 8.152 -0.198 19893 849 1 2 . 1 1 79 79 LYS N N 79 125.429 125.429 121.591 3.838 19893 850 1 2 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.156 4.632 19893 851 1 2 . 1 1 79 79 LYS H H 79 8.695 8.695 8.616 0.079 19893 852 1 2 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.972 -0.182 19893 853 1 2 . 1 1 80 80 ASN C C 80 175.317 175.317 174.995 0.322 19893 854 1 2 . 1 1 80 80 ASN CA C 80 53.704 53.704 52.960 0.744 19893 855 1 2 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.592 -0.738 19893 856 1 2 . 1 1 81 81 SER N N 81 113.408 113.408 120.090 -6.682 19893 857 1 2 . 1 1 81 81 SER HA H 81 4.408 4.408 4.698 -0.290 19893 858 1 2 . 1 1 81 81 SER CA C 81 59.296 59.296 58.835 0.461 19893 859 1 2 . 1 1 81 81 SER CB C 81 64.171 64.171 64.303 -0.132 19893 860 1 2 . 1 1 81 81 SER H H 81 7.715 7.715 8.793 -1.078 19893 861 1 2 . 1 1 82 82 SER N N 82 117.894 117.894 117.722 0.172 19893 862 1 2 . 1 1 82 82 SER HA H 82 4.541 4.541 4.627 -0.086 19893 863 1 2 . 1 1 82 82 SER C C 82 174.196 174.196 172.685 1.511 19893 864 1 2 . 1 1 82 82 SER CA C 82 58.767 58.767 58.179 0.588 19893 865 1 2 . 1 1 82 82 SER CB C 82 64.382 64.382 63.661 0.721 19893 866 1 2 . 1 1 82 82 SER H H 82 8.472 8.472 8.523 -0.051 19893 867 1 2 . 1 1 83 83 VAL N N 83 122.430 122.430 121.537 0.893 19893 868 1 2 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.339 0.062 19893 869 1 2 . 1 1 83 83 VAL C C 83 174.614 174.614 173.289 1.325 19893 870 1 2 . 1 1 83 83 VAL CA C 83 62.532 62.532 61.374 1.158 19893 871 1 2 . 1 1 83 83 VAL CB C 83 34.388 34.388 34.518 -0.130 19893 872 1 2 . 1 1 83 83 VAL H H 83 7.686 7.686 7.451 0.235 19893 873 1 2 . 1 1 84 84 GLN N N 84 123.141 123.141 125.781 -2.640 19893 874 1 2 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.008 -0.221 19893 875 1 2 . 1 1 84 84 GLN C C 84 174.077 174.077 174.523 -0.446 19893 876 1 2 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.673 0.400 19893 877 1 2 . 1 1 84 84 GLN CB C 84 32.723 32.723 33.225 -0.502 19893 878 1 2 . 1 1 84 84 GLN H H 84 8.287 8.287 8.907 -0.620 19893 879 1 2 . 1 1 85 85 PHE N N 85 121.281 121.281 119.320 1.961 19893 880 1 2 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.259 0.029 19893 881 1 2 . 1 1 85 85 PHE C C 85 175.063 175.063 175.708 -0.645 19893 882 1 2 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.533 0.902 19893 883 1 2 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.551 -2.344 19893 884 1 2 . 1 1 85 85 PHE H H 85 9.241 9.241 9.583 -0.342 19893 885 1 2 . 1 1 86 86 HIS N N 86 125.300 125.300 120.257 5.043 19893 886 1 2 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.073 -0.326 19893 887 1 2 . 1 1 86 86 HIS C C 86 172.315 172.315 173.409 -1.094 19893 888 1 2 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.460 -3.107 19893 889 1 2 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.479 -2.394 19893 890 1 2 . 1 1 86 86 HIS H H 86 9.340 9.340 9.478 -0.138 19893 891 1 2 . 1 1 87 87 VAL N N 87 127.396 127.396 126.497 0.899 19893 892 1 2 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.054 -0.831 19893 893 1 2 . 1 1 87 87 VAL C C 87 173.887 173.887 173.537 0.350 19893 894 1 2 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.761 2.377 19893 895 1 2 . 1 1 87 87 VAL CB C 87 31.976 31.976 34.625 -2.649 19893 896 1 2 . 1 1 87 87 VAL H H 87 8.722 8.722 9.174 -0.452 19893 897 1 2 . 1 1 88 88 ILE N N 88 127.814 127.814 131.546 -3.732 19893 898 1 2 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.231 -0.446 19893 899 1 2 . 1 1 88 88 ILE C C 88 174.542 174.542 175.419 -0.877 19893 900 1 2 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.533 0.887 19893 901 1 2 . 1 1 88 88 ILE CB C 88 41.068 41.068 37.616 3.452 19893 902 1 2 . 1 1 88 88 ILE H H 88 8.605 8.605 8.632 -0.027 19893 903 1 2 . 1 1 89 89 PHE N N 89 125.156 125.156 129.059 -3.903 19893 904 1 2 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.052 0.629 19893 905 1 2 . 1 1 89 89 PHE C C 89 175.138 175.138 175.731 -0.593 19893 906 1 2 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.411 -2.092 19893 907 1 2 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.573 1.837 19893 908 1 2 . 1 1 89 89 PHE H H 89 7.872 7.872 8.679 -0.807 19893 909 1 2 . 1 1 90 90 ASP N N 90 125.113 125.113 126.778 -1.665 19893 910 1 2 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.871 -0.060 19893 911 1 2 . 1 1 90 90 ASP C C 90 176.988 176.988 175.728 1.260 19893 912 1 2 . 1 1 90 90 ASP CA C 90 54.501 54.501 54.129 0.372 19893 913 1 2 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.258 1.028 19893 914 1 2 . 1 1 90 90 ASP H H 90 8.740 8.740 8.933 -0.193 19893 915 1 2 . 1 1 91 91 GLU N N 91 124.589 124.589 126.520 -1.931 19893 916 1 2 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.600 -0.226 19893 917 1 2 . 1 1 91 91 GLU C C 91 175.801 175.801 174.975 0.826 19893 918 1 2 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.228 3.243 19893 919 1 2 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.928 1.264 19893 920 1 2 . 1 1 91 91 GLU H H 91 9.028 9.028 8.053 0.975 19893 921 1 3 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.952 -0.600 19893 922 1 3 . 1 1 8 8 PRO C C 8 176.467 176.467 175.515 0.952 19893 923 1 3 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.801 0.562 19893 924 1 3 . 1 1 8 8 PRO CB C 8 32.389 32.389 30.167 2.222 19893 925 1 3 . 1 1 9 9 ALA N N 9 124.419 124.419 121.985 2.434 19893 926 1 3 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.949 -0.542 19893 927 1 3 . 1 1 9 9 ALA C C 9 177.826 177.826 176.519 1.307 19893 928 1 3 . 1 1 9 9 ALA CA C 9 52.552 52.552 50.025 2.527 19893 929 1 3 . 1 1 9 9 ALA CB C 9 19.854 19.854 22.270 -2.417 19893 930 1 3 . 1 1 9 9 ALA H H 9 8.301 8.301 8.024 0.277 19893 931 1 3 . 1 1 10 10 VAL N N 10 120.778 120.778 120.950 -0.172 19893 932 1 3 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.294 -0.135 19893 933 1 3 . 1 1 10 10 VAL C C 10 175.233 175.233 174.524 0.709 19893 934 1 3 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.055 1.078 19893 935 1 3 . 1 1 10 10 VAL CB C 10 33.820 33.820 34.488 -0.668 19893 936 1 3 . 1 1 10 10 VAL H H 10 8.095 8.095 8.843 -0.748 19893 937 1 3 . 1 1 11 11 ASP N N 11 125.133 125.133 127.415 -2.282 19893 938 1 3 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.052 -0.020 19893 939 1 3 . 1 1 11 11 ASP C C 11 176.892 176.892 175.175 1.717 19893 940 1 3 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.989 1.604 19893 941 1 3 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.256 0.406 19893 942 1 3 . 1 1 11 11 ASP H H 11 8.285 8.285 8.542 -0.257 19893 943 1 3 . 1 1 12 12 VAL N N 12 124.553 124.553 125.036 -0.483 19893 944 1 3 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.282 -0.157 19893 945 1 3 . 1 1 12 12 VAL C C 12 175.226 175.226 174.235 0.991 19893 946 1 3 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.722 1.900 19893 947 1 3 . 1 1 12 12 VAL CB C 12 33.328 33.328 34.798 -1.470 19893 948 1 3 . 1 1 12 12 VAL H H 12 8.615 8.615 8.580 0.035 19893 949 1 3 . 1 1 13 13 GLU N N 13 130.776 130.776 123.765 7.011 19893 950 1 3 . 1 1 13 13 GLU HA H 13 5.091 5.091 4.705 0.386 19893 951 1 3 . 1 1 13 13 GLU C C 13 175.853 175.853 174.836 1.017 19893 952 1 3 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.432 0.837 19893 953 1 3 . 1 1 13 13 GLU CB C 13 31.636 31.636 30.989 0.647 19893 954 1 3 . 1 1 13 13 GLU H H 13 8.796 8.796 8.582 0.214 19893 955 1 3 . 1 1 14 14 ILE N N 14 128.969 128.969 123.636 5.333 19893 956 1 3 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.541 -0.168 19893 957 1 3 . 1 1 14 14 ILE C C 14 174.048 174.048 173.942 0.106 19893 958 1 3 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.482 -0.703 19893 959 1 3 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.715 0.271 19893 960 1 3 . 1 1 14 14 ILE H H 14 8.602 8.602 9.003 -0.401 19893 961 1 3 . 1 1 15 15 HIS N N 15 124.354 124.354 124.658 -0.304 19893 962 1 3 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.782 0.472 19893 963 1 3 . 1 1 15 15 HIS C C 15 174.830 174.830 173.368 1.462 19893 964 1 3 . 1 1 15 15 HIS CA C 15 54.387 54.387 54.055 0.332 19893 965 1 3 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.668 -1.164 19893 966 1 3 . 1 1 15 15 HIS H H 15 8.926 8.926 9.446 -0.520 19893 967 1 3 . 1 1 16 16 PHE N N 16 117.887 117.887 125.948 -8.061 19893 968 1 3 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.950 0.651 19893 969 1 3 . 1 1 16 16 PHE CA C 16 51.560 51.560 54.104 -2.544 19893 970 1 3 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.464 1.526 19893 971 1 3 . 1 1 16 16 PHE H H 16 8.758 8.758 8.785 -0.027 19893 972 1 3 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.939 -0.180 19893 973 1 3 . 1 1 17 17 PRO C C 17 178.833 178.833 176.595 2.238 19893 974 1 3 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.117 0.941 19893 975 1 3 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.915 -0.955 19893 976 1 3 . 1 1 18 18 LEU N N 18 131.092 131.092 123.586 7.506 19893 977 1 3 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.271 -0.524 19893 978 1 3 . 1 1 18 18 LEU C C 18 177.657 177.657 176.707 0.950 19893 979 1 3 . 1 1 18 18 LEU CA C 18 59.042 59.042 55.286 3.756 19893 980 1 3 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.473 2.301 19893 981 1 3 . 1 1 18 18 LEU H H 18 9.189 9.189 8.331 0.858 19893 982 1 3 . 1 1 19 19 LYS N N 19 113.358 113.358 113.120 0.238 19893 983 1 3 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.398 -0.483 19893 984 1 3 . 1 1 19 19 LYS C C 19 179.580 179.580 176.418 3.162 19893 985 1 3 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.098 3.377 19893 986 1 3 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.988 -0.312 19893 987 1 3 . 1 1 19 19 LYS H H 19 8.967 8.967 7.641 1.326 19893 988 1 3 . 1 1 20 20 ARG N N 20 113.649 113.649 119.239 -5.590 19893 989 1 3 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.557 -0.205 19893 990 1 3 . 1 1 20 20 ARG C C 20 179.148 179.148 177.899 1.249 19893 991 1 3 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.661 1.142 19893 992 1 3 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.325 -1.195 19893 993 1 3 . 1 1 20 20 ARG H H 20 7.118 7.118 8.185 -1.067 19893 994 1 3 . 1 1 21 21 ILE N N 21 117.305 117.305 116.578 0.727 19893 995 1 3 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.011 0.307 19893 996 1 3 . 1 1 21 21 ILE C C 21 175.336 175.336 175.659 -0.323 19893 997 1 3 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.691 -2.099 19893 998 1 3 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.733 2.284 19893 999 1 3 . 1 1 21 21 ILE H H 21 7.752 7.752 7.942 -0.190 19893 1000 1 3 . 1 1 22 22 ALA N N 22 123.637 123.637 119.995 3.642 19893 1001 1 3 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.372 -0.285 19893 1002 1 3 . 1 1 22 22 ALA C C 22 177.701 177.701 176.518 1.183 19893 1003 1 3 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.703 1.687 19893 1004 1 3 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.121 0.927 19893 1005 1 3 . 1 1 22 22 ALA H H 22 7.759 7.759 7.748 0.011 19893 1006 1 3 . 1 1 23 23 ALA N N 23 120.182 120.182 122.690 -2.508 19893 1007 1 3 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.393 -0.108 19893 1008 1 3 . 1 1 23 23 ALA C C 23 178.285 178.285 177.117 1.168 19893 1009 1 3 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.150 -0.244 19893 1010 1 3 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.668 -0.478 19893 1011 1 3 . 1 1 23 23 ALA H H 23 6.732 6.732 7.959 -1.227 19893 1012 1 3 . 1 1 24 24 GLU N N 24 119.837 119.837 116.437 3.400 19893 1013 1 3 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.489 -0.324 19893 1014 1 3 . 1 1 24 24 GLU C C 24 179.026 179.026 177.659 1.367 19893 1015 1 3 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.035 3.447 19893 1016 1 3 . 1 1 24 24 GLU CB C 24 29.977 29.977 31.164 -1.187 19893 1017 1 3 . 1 1 24 24 GLU H H 24 8.830 8.830 7.788 1.042 19893 1018 1 3 . 1 1 25 25 GLY N N 25 107.505 107.505 109.895 -2.390 19893 1019 1 3 . 1 1 25 25 GLY C C 25 176.338 176.338 175.626 0.712 19893 1020 1 3 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.535 -0.458 19893 1021 1 3 . 1 1 25 25 GLY H H 25 8.425 8.425 8.548 -0.123 19893 1022 1 3 . 1 1 26 26 TYR N N 26 119.505 119.505 122.628 -3.123 19893 1023 1 3 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.967 0.289 19893 1024 1 3 . 1 1 26 26 TYR C C 26 176.005 176.005 177.629 -1.624 19893 1025 1 3 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.730 -1.016 19893 1026 1 3 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.253 -0.756 19893 1027 1 3 . 1 1 26 26 TYR H H 26 7.262 7.262 8.246 -0.984 19893 1028 1 3 . 1 1 27 27 ALA N N 27 122.574 122.574 119.213 3.361 19893 1029 1 3 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.996 -0.532 19893 1030 1 3 . 1 1 27 27 ALA C C 27 178.550 178.550 179.798 -1.248 19893 1031 1 3 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.959 -0.787 19893 1032 1 3 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.049 0.026 19893 1033 1 3 . 1 1 27 27 ALA H H 27 6.867 6.867 7.910 -1.043 19893 1034 1 3 . 1 1 28 28 GLU N N 28 114.244 114.244 118.957 -4.713 19893 1035 1 3 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.784 0.555 19893 1036 1 3 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.550 -4.298 19893 1037 1 3 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.433 1.012 19893 1038 1 3 . 1 1 28 28 GLU H H 28 7.285 7.285 8.160 -0.875 19893 1039 1 3 . 1 1 29 29 ASP N N 29 120.177 120.177 118.716 1.461 19893 1040 1 3 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.367 0.090 19893 1041 1 3 . 1 1 29 29 ASP C C 29 177.771 177.771 179.281 -1.510 19893 1042 1 3 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.222 -2.774 19893 1043 1 3 . 1 1 29 29 ASP CB C 29 41.689 41.689 40.937 0.752 19893 1044 1 3 . 1 1 29 29 ASP H H 29 7.083 7.083 8.430 -1.347 19893 1045 1 3 . 1 1 30 30 GLU N N 30 129.724 129.724 119.227 10.497 19893 1046 1 3 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.257 -0.295 19893 1047 1 3 . 1 1 30 30 GLU C C 30 178.184 178.184 179.238 -1.054 19893 1048 1 3 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.823 0.533 19893 1049 1 3 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.450 -0.169 19893 1050 1 3 . 1 1 30 30 GLU H H 30 9.081 9.081 7.760 1.321 19893 1051 1 3 . 1 1 31 31 LEU N N 31 120.990 120.990 121.377 -0.387 19893 1052 1 3 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.105 0.054 19893 1053 1 3 . 1 1 31 31 LEU C C 31 180.910 180.910 179.290 1.620 19893 1054 1 3 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.248 0.832 19893 1055 1 3 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.309 -0.628 19893 1056 1 3 . 1 1 31 31 LEU H H 31 8.323 8.323 7.977 0.346 19893 1057 1 3 . 1 1 32 32 LEU N N 32 116.856 116.856 119.369 -2.513 19893 1058 1 3 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.399 -0.447 19893 1059 1 3 . 1 1 32 32 LEU C C 32 179.086 179.086 179.394 -0.308 19893 1060 1 3 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.605 0.413 19893 1061 1 3 . 1 1 32 32 LEU CB C 32 40.951 40.951 41.233 -0.282 19893 1062 1 3 . 1 1 32 32 LEU H H 32 7.225 7.225 8.457 -1.232 19893 1063 1 3 . 1 1 33 33 LEU N N 33 117.769 117.769 121.361 -3.592 19893 1064 1 3 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.978 -0.056 19893 1065 1 3 . 1 1 33 33 LEU C C 33 181.207 181.207 177.900 3.307 19893 1066 1 3 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.069 0.742 19893 1067 1 3 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.666 0.446 19893 1068 1 3 . 1 1 33 33 LEU H H 33 6.943 6.943 8.424 -1.481 19893 1069 1 3 . 1 1 34 34 ASN N N 34 118.848 118.848 116.256 2.592 19893 1070 1 3 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.379 0.157 19893 1071 1 3 . 1 1 34 34 ASN C C 34 178.881 178.881 177.925 0.956 19893 1072 1 3 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.319 -0.016 19893 1073 1 3 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.651 -0.070 19893 1074 1 3 . 1 1 34 34 ASN H H 34 8.320 8.320 7.961 0.359 19893 1075 1 3 . 1 1 35 35 GLN N N 35 118.808 118.808 119.325 -0.517 19893 1076 1 3 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.054 0.293 19893 1077 1 3 . 1 1 35 35 GLN C C 35 177.483 177.483 178.248 -0.765 19893 1078 1 3 . 1 1 35 35 GLN CA C 35 57.275 57.275 59.010 -1.735 19893 1079 1 3 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.924 0.954 19893 1080 1 3 . 1 1 35 35 GLN H H 35 8.053 8.053 8.710 -0.657 19893 1081 1 3 . 1 1 36 36 MET N N 36 116.334 116.334 118.026 -1.692 19893 1082 1 3 . 1 1 36 36 MET HA H 36 4.718 4.718 4.429 0.289 19893 1083 1 3 . 1 1 36 36 MET C C 36 177.424 177.424 178.853 -1.429 19893 1084 1 3 . 1 1 36 36 MET CA C 36 54.879 54.879 56.669 -1.790 19893 1085 1 3 . 1 1 36 36 MET CB C 36 31.263 31.263 31.451 -0.188 19893 1086 1 3 . 1 1 36 36 MET H H 36 7.596 7.596 8.108 -0.512 19893 1087 1 3 . 1 1 37 37 GLY N N 37 106.238 106.238 105.827 0.411 19893 1088 1 3 . 1 1 37 37 GLY C C 37 175.666 175.666 175.090 0.576 19893 1089 1 3 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.310 1.262 19893 1090 1 3 . 1 1 37 37 GLY H H 37 7.827 7.827 7.918 -0.091 19893 1091 1 3 . 1 1 38 38 LYS N N 38 120.688 120.688 120.469 0.219 19893 1092 1 3 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.170 0.243 19893 1093 1 3 . 1 1 38 38 LYS C C 38 176.395 176.395 178.945 -2.550 19893 1094 1 3 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.248 -1.916 19893 1095 1 3 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.892 -0.800 19893 1096 1 3 . 1 1 38 38 LYS H H 38 8.543 8.543 7.540 1.003 19893 1097 1 3 . 1 1 39 39 VAL N N 39 123.143 123.143 114.440 8.703 19893 1098 1 3 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.751 0.326 19893 1099 1 3 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.171 -2.342 19893 1100 1 3 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.260 1.450 19893 1101 1 3 . 1 1 39 39 VAL H H 39 7.711 7.711 8.406 -0.695 19893 1102 1 3 . 1 1 40 40 ASN N N 40 125.464 125.464 115.541 9.923 19893 1103 1 3 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.852 -0.069 19893 1104 1 3 . 1 1 40 40 ASN C C 40 174.870 174.870 173.798 1.072 19893 1105 1 3 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.800 -0.306 19893 1106 1 3 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.188 0.205 19893 1107 1 3 . 1 1 40 40 ASN H H 40 8.692 8.692 8.227 0.465 19893 1108 1 3 . 1 1 41 41 ASP N N 41 116.195 116.195 118.779 -2.584 19893 1109 1 3 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.506 0.627 19893 1110 1 3 . 1 1 41 41 ASP C C 41 177.048 177.048 175.634 1.414 19893 1111 1 3 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.183 1.239 19893 1112 1 3 . 1 1 41 41 ASP CB C 41 43.353 43.353 40.110 3.243 19893 1113 1 3 . 1 1 41 41 ASP H H 41 8.403 8.403 8.698 -0.295 19893 1114 1 3 . 1 1 42 42 THR N N 42 111.139 111.139 107.633 3.506 19893 1115 1 3 . 1 1 42 42 THR HA H 42 4.646 4.646 4.410 0.236 19893 1116 1 3 . 1 1 42 42 THR CA C 42 57.844 57.844 63.025 -5.181 19893 1117 1 3 . 1 1 42 42 THR CB C 42 70.269 70.269 67.419 2.850 19893 1118 1 3 . 1 1 42 42 THR H H 42 7.532 7.532 7.771 -0.239 19893 1119 1 3 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.611 -0.077 19893 1120 1 3 . 1 1 43 43 PRO C C 43 175.550 175.550 176.190 -0.640 19893 1121 1 3 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.038 1.086 19893 1122 1 3 . 1 1 43 43 PRO CB C 43 34.450 34.450 29.976 4.474 19893 1123 1 3 . 1 1 44 44 GLU N N 44 121.809 121.809 120.785 1.024 19893 1124 1 3 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.228 -0.090 19893 1125 1 3 . 1 1 44 44 GLU C C 44 176.266 176.266 176.701 -0.435 19893 1126 1 3 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.732 1.851 19893 1127 1 3 . 1 1 44 44 GLU CB C 44 30.878 30.878 29.922 0.956 19893 1128 1 3 . 1 1 44 44 GLU H H 44 8.515 8.515 8.159 0.356 19893 1129 1 3 . 1 1 45 45 GLU N N 45 122.167 122.167 125.730 -3.563 19893 1130 1 3 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.466 -0.114 19893 1131 1 3 . 1 1 45 45 GLU C C 45 175.468 175.468 175.867 -0.399 19893 1132 1 3 . 1 1 45 45 GLU CA C 45 54.805 54.805 55.000 -0.195 19893 1133 1 3 . 1 1 45 45 GLU CB C 45 32.425 32.425 28.648 3.777 19893 1134 1 3 . 1 1 45 45 GLU H H 45 8.406 8.406 8.683 -0.277 19893 1135 1 3 . 1 1 46 46 GLU N N 46 123.100 123.100 120.054 3.046 19893 1136 1 3 . 1 1 46 46 GLU HA H 46 3.748 3.748 3.946 -0.198 19893 1137 1 3 . 1 1 46 46 GLU C C 46 177.108 177.108 175.514 1.594 19893 1138 1 3 . 1 1 46 46 GLU CA C 46 57.786 57.786 57.579 0.207 19893 1139 1 3 . 1 1 46 46 GLU CB C 46 28.617 28.617 27.639 0.979 19893 1140 1 3 . 1 1 46 46 GLU H H 46 8.729 8.729 8.346 0.383 19893 1141 1 3 . 1 1 47 47 GLY N N 47 102.684 102.684 104.271 -1.587 19893 1142 1 3 . 1 1 47 47 GLY C C 47 174.278 174.278 173.232 1.046 19893 1143 1 3 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.251 0.721 19893 1144 1 3 . 1 1 47 47 GLY H H 47 8.513 8.513 8.160 0.353 19893 1145 1 3 . 1 1 48 48 MET N N 48 120.460 120.460 121.675 -1.215 19893 1146 1 3 . 1 1 48 48 MET HA H 48 5.004 5.004 4.933 0.071 19893 1147 1 3 . 1 1 48 48 MET CA C 48 53.307 53.307 52.956 0.351 19893 1148 1 3 . 1 1 48 48 MET CB C 48 35.537 35.537 33.519 2.018 19893 1149 1 3 . 1 1 48 48 MET H H 48 8.056 8.056 8.195 -0.139 19893 1150 1 3 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.133 0.018 19893 1151 1 3 . 1 1 50 50 LEU C C 50 179.381 179.381 178.809 0.572 19893 1152 1 3 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.321 1.563 19893 1153 1 3 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.918 -0.123 19893 1154 1 3 . 1 1 51 51 ARG N N 51 113.058 113.058 119.632 -6.574 19893 1155 1 3 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.821 0.005 19893 1156 1 3 . 1 1 51 51 ARG C C 51 178.376 178.376 177.773 0.603 19893 1157 1 3 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.059 2.414 19893 1158 1 3 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.646 2.449 19893 1159 1 3 . 1 1 51 51 ARG H H 51 8.076 8.076 8.484 -0.408 19893 1160 1 3 . 1 1 52 52 ALA N N 52 118.144 118.144 123.179 -5.035 19893 1161 1 3 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.006 0.084 19893 1162 1 3 . 1 1 52 52 ALA C C 52 180.673 180.673 179.838 0.835 19893 1163 1 3 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.836 0.135 19893 1164 1 3 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.146 0.772 19893 1165 1 3 . 1 1 52 52 ALA H H 52 7.095 7.095 8.087 -0.992 19893 1166 1 3 . 1 1 53 53 TRP N N 53 121.809 121.809 116.182 5.627 19893 1167 1 3 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.609 -0.300 19893 1168 1 3 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.053 4.879 19893 1169 1 3 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.714 -0.202 19893 1170 1 3 . 1 1 53 53 TRP H H 53 8.608 8.608 7.933 0.675 19893 1171 1 3 . 1 1 54 54 VAL N N 54 120.508 120.508 122.606 -2.098 19893 1172 1 3 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.931 -0.087 19893 1173 1 3 . 1 1 54 54 VAL C C 54 177.917 177.917 178.341 -0.424 19893 1174 1 3 . 1 1 54 54 VAL CA C 54 67.434 67.434 65.921 1.513 19893 1175 1 3 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.374 1.143 19893 1176 1 3 . 1 1 54 54 VAL H H 54 8.352 8.352 6.893 1.459 19893 1177 1 3 . 1 1 55 55 ILE N N 55 118.131 118.131 119.603 -1.472 19893 1178 1 3 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.406 -0.079 19893 1179 1 3 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.546 1.244 19893 1180 1 3 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.282 1.987 19893 1181 1 3 . 1 1 55 55 ILE H H 55 7.574 7.574 8.216 -0.642 19893 1182 1 3 . 1 1 56 56 LYS N N 56 120.517 120.517 121.473 -0.956 19893 1183 1 3 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.058 -0.006 19893 1184 1 3 . 1 1 56 56 LYS C C 56 179.574 179.574 178.509 1.065 19893 1185 1 3 . 1 1 56 56 LYS CA C 56 60.575 60.575 60.015 0.560 19893 1186 1 3 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.270 0.861 19893 1187 1 3 . 1 1 56 56 LYS H H 56 8.354 8.354 8.186 0.168 19893 1188 1 3 . 1 1 57 57 CYS N N 57 116.239 116.239 117.312 -1.073 19893 1189 1 3 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.140 -0.226 19893 1190 1 3 . 1 1 57 57 CYS C C 57 178.985 178.985 176.503 2.482 19893 1191 1 3 . 1 1 57 57 CYS CA C 57 63.432 63.432 61.163 2.269 19893 1192 1 3 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.344 1.245 19893 1193 1 3 . 1 1 57 57 CYS H H 57 8.501 8.501 8.343 0.158 19893 1194 1 3 . 1 1 58 58 ALA N N 58 123.819 123.819 123.223 0.596 19893 1195 1 3 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.429 -0.394 19893 1196 1 3 . 1 1 58 58 ALA C C 58 177.753 177.753 179.144 -1.391 19893 1197 1 3 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.659 0.418 19893 1198 1 3 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.198 0.031 19893 1199 1 3 . 1 1 58 58 ALA H H 58 8.605 8.605 8.615 -0.010 19893 1200 1 3 . 1 1 59 59 HIS N N 59 115.595 115.595 116.286 -0.691 19893 1201 1 3 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.187 -0.672 19893 1202 1 3 . 1 1 59 59 HIS C C 59 177.271 177.271 177.374 -0.103 19893 1203 1 3 . 1 1 59 59 HIS CA C 59 60.700 60.700 58.911 1.789 19893 1204 1 3 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.553 -1.762 19893 1205 1 3 . 1 1 59 59 HIS H H 59 8.132 8.132 8.438 -0.306 19893 1206 1 3 . 1 1 60 60 GLU N N 60 117.847 117.847 120.914 -3.067 19893 1207 1 3 . 1 1 60 60 GLU HA H 60 3.774 3.774 4.211 -0.437 19893 1208 1 3 . 1 1 60 60 GLU C C 60 179.157 179.157 178.305 0.852 19893 1209 1 3 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.546 1.228 19893 1210 1 3 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.323 0.574 19893 1211 1 3 . 1 1 60 60 GLU H H 60 8.623 8.623 7.552 1.071 19893 1212 1 3 . 1 1 61 61 ALA N N 61 122.193 122.193 120.329 1.864 19893 1213 1 3 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.117 -0.054 19893 1214 1 3 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.286 1.048 19893 1215 1 3 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.824 -0.465 19893 1216 1 3 . 1 1 61 61 ALA H H 61 7.891 7.891 7.832 0.059 19893 1217 1 3 . 1 1 62 62 LEU N N 62 120.135 120.135 119.076 1.059 19893 1218 1 3 . 1 1 62 62 LEU HA H 62 3.961 3.961 3.781 0.180 19893 1219 1 3 . 1 1 62 62 LEU C C 62 178.813 178.813 178.312 0.501 19893 1220 1 3 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.879 0.640 19893 1221 1 3 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.415 1.269 19893 1222 1 3 . 1 1 62 62 LEU H H 62 7.080 7.080 7.226 -0.146 19893 1223 1 3 . 1 1 63 63 GLU N N 63 118.288 118.288 119.071 -0.783 19893 1224 1 3 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.953 -0.247 19893 1225 1 3 . 1 1 63 63 GLU C C 63 179.261 179.261 177.532 1.729 19893 1226 1 3 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.544 0.652 19893 1227 1 3 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.083 0.982 19893 1228 1 3 . 1 1 63 63 GLU H H 63 7.594 7.594 7.778 -0.184 19893 1229 1 3 . 1 1 64 64 LYS N N 64 116.167 116.167 118.553 -2.386 19893 1230 1 3 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.085 -0.008 19893 1231 1 3 . 1 1 64 64 LYS C C 64 177.763 177.763 176.745 1.018 19893 1232 1 3 . 1 1 64 64 LYS H H 64 7.342 7.342 7.531 -0.189 19893 1233 1 3 . 1 1 65 65 ASN N N 65 113.899 113.899 116.478 -2.579 19893 1234 1 3 . 1 1 65 65 ASN HA H 65 4.955 4.955 5.025 -0.070 19893 1235 1 3 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.622 0.231 19893 1236 1 3 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.172 0.291 19893 1237 1 3 . 1 1 65 65 ASN H H 65 7.480 7.480 7.710 -0.230 19893 1238 1 3 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.542 0.053 19893 1239 1 3 . 1 1 66 66 PRO C C 66 177.769 177.769 175.466 2.303 19893 1240 1 3 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.489 1.988 19893 1241 1 3 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.332 2.508 19893 1242 1 3 . 1 1 67 67 LYS N N 67 115.189 115.189 121.021 -5.832 19893 1243 1 3 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.452 -0.188 19893 1244 1 3 . 1 1 67 67 LYS C C 67 178.271 178.271 174.155 4.116 19893 1245 1 3 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.060 0.846 19893 1246 1 3 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.937 -2.806 19893 1247 1 3 . 1 1 67 67 LYS H H 67 7.611 7.611 7.576 0.035 19893 1248 1 3 . 1 1 68 68 ILE N N 68 118.905 118.905 123.557 -4.652 19893 1249 1 3 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.507 -1.337 19893 1250 1 3 . 1 1 68 68 ILE C C 68 177.006 177.006 174.810 2.196 19893 1251 1 3 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.688 3.685 19893 1252 1 3 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.077 0.839 19893 1253 1 3 . 1 1 68 68 ILE H H 68 7.662 7.662 8.463 -0.801 19893 1254 1 3 . 1 1 69 69 ARG N N 69 119.690 119.690 128.346 -8.656 19893 1255 1 3 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.681 0.275 19893 1256 1 3 . 1 1 69 69 ARG C C 69 175.294 175.294 173.847 1.447 19893 1257 1 3 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.758 -0.265 19893 1258 1 3 . 1 1 69 69 ARG CB C 69 31.487 31.487 35.400 -3.913 19893 1259 1 3 . 1 1 69 69 ARG H H 69 9.018 9.018 9.105 -0.087 19893 1260 1 3 . 1 1 70 70 GLU N N 70 116.461 116.461 122.511 -6.050 19893 1261 1 3 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.818 0.143 19893 1262 1 3 . 1 1 70 70 GLU C C 70 174.398 174.398 174.900 -0.502 19893 1263 1 3 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.665 -0.128 19893 1264 1 3 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.391 0.459 19893 1265 1 3 . 1 1 70 70 GLU H H 70 7.565 7.565 8.550 -0.985 19893 1266 1 3 . 1 1 71 71 VAL N N 71 116.838 116.838 119.614 -2.776 19893 1267 1 3 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.408 0.053 19893 1268 1 3 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.117 0.907 19893 1269 1 3 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.505 -0.729 19893 1270 1 3 . 1 1 71 71 VAL H H 71 8.946 8.946 8.677 0.269 19893 1271 1 3 . 1 1 72 72 TYR N N 72 125.566 125.566 120.401 5.165 19893 1272 1 3 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.900 0.533 19893 1273 1 3 . 1 1 72 72 TYR C C 72 176.183 176.183 173.854 2.329 19893 1274 1 3 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.186 2.764 19893 1275 1 3 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.270 0.943 19893 1276 1 3 . 1 1 72 72 TYR H H 72 8.689 8.689 7.854 0.835 19893 1277 1 3 . 1 1 73 73 LEU N N 73 122.757 122.757 122.875 -0.118 19893 1278 1 3 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.762 0.258 19893 1279 1 3 . 1 1 73 73 LEU C C 73 176.134 176.134 176.049 0.085 19893 1280 1 3 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.761 -0.053 19893 1281 1 3 . 1 1 73 73 LEU CB C 73 46.349 46.349 46.297 0.052 19893 1282 1 3 . 1 1 73 73 LEU H H 73 9.202 9.202 8.801 0.401 19893 1283 1 3 . 1 1 74 74 LYS N N 74 124.941 124.941 122.179 2.762 19893 1284 1 3 . 1 1 74 74 LYS HA H 74 5.336 5.336 4.970 0.366 19893 1285 1 3 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.578 0.895 19893 1286 1 3 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.681 0.305 19893 1287 1 3 . 1 1 74 74 LYS H H 74 9.205 9.205 8.625 0.580 19893 1288 1 3 . 1 1 75 75 PRO HA H 75 3.959 3.959 3.008 0.951 19893 1289 1 3 . 1 1 75 75 PRO C C 75 176.549 176.549 176.719 -0.170 19893 1290 1 3 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.848 0.602 19893 1291 1 3 . 1 1 75 75 PRO CB C 75 32.618 32.618 32.195 0.423 19893 1292 1 3 . 1 1 76 76 ARG N N 76 122.429 122.429 121.348 1.081 19893 1293 1 3 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.048 0.360 19893 1294 1 3 . 1 1 76 76 ARG C C 76 178.244 178.244 175.080 3.164 19893 1295 1 3 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.391 1.432 19893 1296 1 3 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.966 4.489 19893 1297 1 3 . 1 1 76 76 ARG H H 76 10.063 10.063 7.859 2.204 19893 1298 1 3 . 1 1 77 77 ALA N N 77 127.287 127.287 123.500 3.787 19893 1299 1 3 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.667 -0.526 19893 1300 1 3 . 1 1 77 77 ALA C C 77 179.691 179.691 176.944 2.747 19893 1301 1 3 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.420 4.448 19893 1302 1 3 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.965 -1.463 19893 1303 1 3 . 1 1 77 77 ALA H H 77 9.710 9.710 7.966 1.744 19893 1304 1 3 . 1 1 78 78 VAL N N 78 118.326 118.326 118.121 0.205 19893 1305 1 3 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.079 -0.058 19893 1306 1 3 . 1 1 78 78 VAL CA C 78 63.481 63.481 64.391 -0.910 19893 1307 1 3 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.152 0.447 19893 1308 1 3 . 1 1 78 78 VAL H H 78 7.954 7.954 8.368 -0.414 19893 1309 1 3 . 1 1 79 79 LYS N N 79 125.429 125.429 120.116 5.313 19893 1310 1 3 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.064 4.724 19893 1311 1 3 . 1 1 79 79 LYS H H 79 8.695 8.695 7.860 0.835 19893 1312 1 3 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.815 -0.025 19893 1313 1 3 . 1 1 80 80 ASN C C 80 175.317 175.317 176.449 -1.132 19893 1314 1 3 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.651 0.053 19893 1315 1 3 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.134 -0.280 19893 1316 1 3 . 1 1 81 81 SER N N 81 113.408 113.408 124.947 -11.539 19893 1317 1 3 . 1 1 81 81 SER HA H 81 4.408 4.408 4.538 -0.130 19893 1318 1 3 . 1 1 81 81 SER CA C 81 59.296 59.296 57.921 1.375 19893 1319 1 3 . 1 1 81 81 SER CB C 81 64.171 64.171 62.654 1.517 19893 1320 1 3 . 1 1 81 81 SER H H 81 7.715 7.715 8.962 -1.247 19893 1321 1 3 . 1 1 82 82 SER N N 82 117.894 117.894 113.451 4.443 19893 1322 1 3 . 1 1 82 82 SER HA H 82 4.541 4.541 4.088 0.453 19893 1323 1 3 . 1 1 82 82 SER C C 82 174.196 174.196 173.064 1.132 19893 1324 1 3 . 1 1 82 82 SER CA C 82 58.767 58.767 58.993 -0.227 19893 1325 1 3 . 1 1 82 82 SER CB C 82 64.382 64.382 61.773 2.609 19893 1326 1 3 . 1 1 82 82 SER H H 82 8.472 8.472 7.747 0.725 19893 1327 1 3 . 1 1 83 83 VAL N N 83 122.430 122.430 119.437 2.993 19893 1328 1 3 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.587 -0.186 19893 1329 1 3 . 1 1 83 83 VAL C C 83 174.614 174.614 174.243 0.371 19893 1330 1 3 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.096 2.436 19893 1331 1 3 . 1 1 83 83 VAL CB C 83 34.388 34.388 34.835 -0.447 19893 1332 1 3 . 1 1 83 83 VAL H H 83 7.686 7.686 8.065 -0.379 19893 1333 1 3 . 1 1 84 84 GLN N N 84 123.141 123.141 126.449 -3.308 19893 1334 1 3 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.200 -0.413 19893 1335 1 3 . 1 1 84 84 GLN C C 84 174.077 174.077 175.074 -0.997 19893 1336 1 3 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.363 0.710 19893 1337 1 3 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.717 0.006 19893 1338 1 3 . 1 1 84 84 GLN H H 84 8.287 8.287 9.056 -0.769 19893 1339 1 3 . 1 1 85 85 PHE N N 85 121.281 121.281 120.196 1.085 19893 1340 1 3 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.079 0.209 19893 1341 1 3 . 1 1 85 85 PHE C C 85 175.063 175.063 175.311 -0.248 19893 1342 1 3 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.654 0.782 19893 1343 1 3 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.037 -1.829 19893 1344 1 3 . 1 1 85 85 PHE H H 85 9.241 9.241 9.610 -0.369 19893 1345 1 3 . 1 1 86 86 HIS N N 86 125.300 125.300 119.449 5.851 19893 1346 1 3 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.083 -0.336 19893 1347 1 3 . 1 1 86 86 HIS C C 86 172.315 172.315 174.068 -1.753 19893 1348 1 3 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.884 -3.531 19893 1349 1 3 . 1 1 86 86 HIS CB C 86 30.085 30.085 33.100 -3.015 19893 1350 1 3 . 1 1 86 86 HIS H H 86 9.340 9.340 8.238 1.102 19893 1351 1 3 . 1 1 87 87 VAL N N 87 127.396 127.396 123.551 3.845 19893 1352 1 3 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.191 -0.968 19893 1353 1 3 . 1 1 87 87 VAL C C 87 173.887 173.887 173.504 0.383 19893 1354 1 3 . 1 1 87 87 VAL CA C 87 61.138 61.138 59.839 1.299 19893 1355 1 3 . 1 1 87 87 VAL CB C 87 31.976 31.976 36.048 -4.072 19893 1356 1 3 . 1 1 87 87 VAL H H 87 8.722 8.722 9.414 -0.692 19893 1357 1 3 . 1 1 88 88 ILE N N 88 127.814 127.814 130.798 -2.984 19893 1358 1 3 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.087 -0.302 19893 1359 1 3 . 1 1 88 88 ILE C C 88 174.542 174.542 175.138 -0.596 19893 1360 1 3 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.715 0.705 19893 1361 1 3 . 1 1 88 88 ILE CB C 88 41.068 41.068 37.865 3.203 19893 1362 1 3 . 1 1 88 88 ILE H H 88 8.605 8.605 8.697 -0.092 19893 1363 1 3 . 1 1 89 89 PHE N N 89 125.156 125.156 128.733 -3.577 19893 1364 1 3 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.075 0.606 19893 1365 1 3 . 1 1 89 89 PHE C C 89 175.138 175.138 175.582 -0.444 19893 1366 1 3 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.192 -1.873 19893 1367 1 3 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.825 1.585 19893 1368 1 3 . 1 1 89 89 PHE H H 89 7.872 7.872 8.890 -1.018 19893 1369 1 3 . 1 1 90 90 ASP N N 90 125.113 125.113 126.539 -1.426 19893 1370 1 3 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.892 -0.081 19893 1371 1 3 . 1 1 90 90 ASP C C 90 176.988 176.988 175.509 1.479 19893 1372 1 3 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.860 0.641 19893 1373 1 3 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.232 1.054 19893 1374 1 3 . 1 1 90 90 ASP H H 90 8.740 8.740 8.445 0.295 19893 1375 1 3 . 1 1 91 91 GLU N N 91 124.589 124.589 127.250 -2.661 19893 1376 1 3 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.568 -0.194 19893 1377 1 3 . 1 1 91 91 GLU C C 91 175.801 175.801 175.188 0.613 19893 1378 1 3 . 1 1 91 91 GLU CA C 91 57.471 57.471 53.853 3.618 19893 1379 1 3 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.529 1.663 19893 1380 1 3 . 1 1 91 91 GLU H H 91 9.028 9.028 8.076 0.952 19893 1381 1 4 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.626 -0.274 19893 1382 1 4 . 1 1 8 8 PRO C C 8 176.467 176.467 175.872 0.595 19893 1383 1 4 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.749 0.614 19893 1384 1 4 . 1 1 8 8 PRO CB C 8 32.389 32.389 31.902 0.487 19893 1385 1 4 . 1 1 9 9 ALA N N 9 124.419 124.419 127.885 -3.466 19893 1386 1 4 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.212 0.195 19893 1387 1 4 . 1 1 9 9 ALA C C 9 177.826 177.826 177.333 0.493 19893 1388 1 4 . 1 1 9 9 ALA CA C 9 52.552 52.552 53.578 -1.026 19893 1389 1 4 . 1 1 9 9 ALA CB C 9 19.854 19.854 19.647 0.207 19893 1390 1 4 . 1 1 9 9 ALA H H 9 8.301 8.301 8.450 -0.149 19893 1391 1 4 . 1 1 10 10 VAL N N 10 120.778 120.778 119.375 1.403 19893 1392 1 4 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.222 -0.063 19893 1393 1 4 . 1 1 10 10 VAL C C 10 175.233 175.233 174.132 1.101 19893 1394 1 4 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.139 0.994 19893 1395 1 4 . 1 1 10 10 VAL CB C 10 33.820 33.820 32.602 1.218 19893 1396 1 4 . 1 1 10 10 VAL H H 10 8.095 8.095 7.759 0.336 19893 1397 1 4 . 1 1 11 11 ASP N N 11 125.133 125.133 128.231 -3.098 19893 1398 1 4 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.062 -0.030 19893 1399 1 4 . 1 1 11 11 ASP C C 11 176.892 176.892 174.887 2.005 19893 1400 1 4 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.341 1.252 19893 1401 1 4 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.959 -0.297 19893 1402 1 4 . 1 1 11 11 ASP H H 11 8.285 8.285 8.607 -0.322 19893 1403 1 4 . 1 1 12 12 VAL N N 12 124.553 124.553 123.523 1.030 19893 1404 1 4 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.181 -0.056 19893 1405 1 4 . 1 1 12 12 VAL C C 12 175.226 175.226 174.127 1.099 19893 1406 1 4 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.581 2.041 19893 1407 1 4 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.404 -2.075 19893 1408 1 4 . 1 1 12 12 VAL H H 12 8.615 8.615 8.456 0.159 19893 1409 1 4 . 1 1 13 13 GLU N N 13 130.776 130.776 125.318 5.458 19893 1410 1 4 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.018 0.073 19893 1411 1 4 . 1 1 13 13 GLU C C 13 175.853 175.853 175.307 0.546 19893 1412 1 4 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.484 0.785 19893 1413 1 4 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.174 0.462 19893 1414 1 4 . 1 1 13 13 GLU H H 13 8.796 8.796 8.338 0.458 19893 1415 1 4 . 1 1 14 14 ILE N N 14 128.969 128.969 123.611 5.358 19893 1416 1 4 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.529 -0.156 19893 1417 1 4 . 1 1 14 14 ILE C C 14 174.048 174.048 173.860 0.188 19893 1418 1 4 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.832 -1.053 19893 1419 1 4 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.925 0.061 19893 1420 1 4 . 1 1 14 14 ILE H H 14 8.602 8.602 9.114 -0.512 19893 1421 1 4 . 1 1 15 15 HIS N N 15 124.354 124.354 124.393 -0.039 19893 1422 1 4 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.916 0.338 19893 1423 1 4 . 1 1 15 15 HIS C C 15 174.830 174.830 173.700 1.130 19893 1424 1 4 . 1 1 15 15 HIS CA C 15 54.387 54.387 54.156 0.231 19893 1425 1 4 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.905 -1.401 19893 1426 1 4 . 1 1 15 15 HIS H H 15 8.926 8.926 9.005 -0.079 19893 1427 1 4 . 1 1 16 16 PHE N N 16 117.887 117.887 126.078 -8.191 19893 1428 1 4 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.916 0.685 19893 1429 1 4 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.441 -1.881 19893 1430 1 4 . 1 1 16 16 PHE CB C 16 42.990 42.990 40.852 2.138 19893 1431 1 4 . 1 1 16 16 PHE H H 16 8.758 8.758 9.061 -0.303 19893 1432 1 4 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.906 -0.147 19893 1433 1 4 . 1 1 17 17 PRO C C 17 178.833 178.833 176.005 2.828 19893 1434 1 4 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.057 1.001 19893 1435 1 4 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.291 -1.331 19893 1436 1 4 . 1 1 18 18 LEU N N 18 131.092 131.092 121.319 9.773 19893 1437 1 4 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.143 -0.397 19893 1438 1 4 . 1 1 18 18 LEU C C 18 177.657 177.657 176.578 1.079 19893 1439 1 4 . 1 1 18 18 LEU CA C 18 59.042 59.042 55.814 3.228 19893 1440 1 4 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.477 2.297 19893 1441 1 4 . 1 1 18 18 LEU H H 18 9.189 9.189 8.648 0.541 19893 1442 1 4 . 1 1 19 19 LYS N N 19 113.358 113.358 115.440 -2.082 19893 1443 1 4 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.316 -0.401 19893 1444 1 4 . 1 1 19 19 LYS C C 19 179.580 179.580 177.226 2.354 19893 1445 1 4 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.620 2.855 19893 1446 1 4 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.711 -0.035 19893 1447 1 4 . 1 1 19 19 LYS H H 19 8.967 8.967 7.816 1.151 19893 1448 1 4 . 1 1 20 20 ARG N N 20 113.649 113.649 119.173 -5.524 19893 1449 1 4 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.455 -0.103 19893 1450 1 4 . 1 1 20 20 ARG C C 20 179.148 179.148 178.210 0.938 19893 1451 1 4 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.495 1.308 19893 1452 1 4 . 1 1 20 20 ARG CB C 20 31.130 31.130 31.390 -0.260 19893 1453 1 4 . 1 1 20 20 ARG H H 20 7.118 7.118 7.848 -0.730 19893 1454 1 4 . 1 1 21 21 ILE N N 21 117.305 117.305 115.759 1.546 19893 1455 1 4 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.944 0.374 19893 1456 1 4 . 1 1 21 21 ILE C C 21 175.336 175.336 175.167 0.169 19893 1457 1 4 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.427 -1.835 19893 1458 1 4 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.664 2.353 19893 1459 1 4 . 1 1 21 21 ILE H H 21 7.752 7.752 7.688 0.064 19893 1460 1 4 . 1 1 22 22 ALA N N 22 123.637 123.637 118.929 4.708 19893 1461 1 4 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.466 -0.379 19893 1462 1 4 . 1 1 22 22 ALA C C 22 177.701 177.701 176.224 1.477 19893 1463 1 4 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.161 2.229 19893 1464 1 4 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.483 0.565 19893 1465 1 4 . 1 1 22 22 ALA H H 22 7.759 7.759 7.711 0.048 19893 1466 1 4 . 1 1 23 23 ALA N N 23 120.182 120.182 122.836 -2.654 19893 1467 1 4 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.325 -0.040 19893 1468 1 4 . 1 1 23 23 ALA C C 23 178.285 178.285 177.183 1.102 19893 1469 1 4 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.241 -0.335 19893 1470 1 4 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.701 -0.511 19893 1471 1 4 . 1 1 23 23 ALA H H 23 6.732 6.732 8.089 -1.357 19893 1472 1 4 . 1 1 24 24 GLU N N 24 119.837 119.837 115.695 4.142 19893 1473 1 4 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.411 -0.246 19893 1474 1 4 . 1 1 24 24 GLU C C 24 179.026 179.026 177.414 1.612 19893 1475 1 4 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.333 3.149 19893 1476 1 4 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.725 -0.748 19893 1477 1 4 . 1 1 24 24 GLU H H 24 8.830 8.830 7.721 1.109 19893 1478 1 4 . 1 1 25 25 GLY N N 25 107.505 107.505 109.855 -2.350 19893 1479 1 4 . 1 1 25 25 GLY C C 25 176.338 176.338 175.613 0.725 19893 1480 1 4 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.635 -0.558 19893 1481 1 4 . 1 1 25 25 GLY H H 25 8.425 8.425 8.551 -0.126 19893 1482 1 4 . 1 1 26 26 TYR N N 26 119.505 119.505 122.149 -2.644 19893 1483 1 4 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.973 0.283 19893 1484 1 4 . 1 1 26 26 TYR C C 26 176.005 176.005 177.803 -1.798 19893 1485 1 4 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.436 -0.722 19893 1486 1 4 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.044 -0.547 19893 1487 1 4 . 1 1 26 26 TYR H H 26 7.262 7.262 8.134 -0.872 19893 1488 1 4 . 1 1 27 27 ALA N N 27 122.574 122.574 119.258 3.316 19893 1489 1 4 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.947 -0.483 19893 1490 1 4 . 1 1 27 27 ALA C C 27 178.550 178.550 179.714 -1.164 19893 1491 1 4 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.791 -0.619 19893 1492 1 4 . 1 1 27 27 ALA CB C 27 18.075 18.075 17.955 0.120 19893 1493 1 4 . 1 1 27 27 ALA H H 27 6.867 6.867 7.690 -0.823 19893 1494 1 4 . 1 1 28 28 GLU N N 28 114.244 114.244 118.659 -4.415 19893 1495 1 4 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.792 0.547 19893 1496 1 4 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.348 -4.096 19893 1497 1 4 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.212 1.233 19893 1498 1 4 . 1 1 28 28 GLU H H 28 7.285 7.285 8.180 -0.895 19893 1499 1 4 . 1 1 29 29 ASP N N 29 120.177 120.177 119.212 0.965 19893 1500 1 4 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.375 0.082 19893 1501 1 4 . 1 1 29 29 ASP C C 29 177.771 177.771 178.675 -0.904 19893 1502 1 4 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.294 -2.846 19893 1503 1 4 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.133 0.556 19893 1504 1 4 . 1 1 29 29 ASP H H 29 7.083 7.083 8.225 -1.142 19893 1505 1 4 . 1 1 30 30 GLU N N 30 129.724 129.724 119.163 10.561 19893 1506 1 4 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.207 -0.245 19893 1507 1 4 . 1 1 30 30 GLU C C 30 178.184 178.184 178.971 -0.787 19893 1508 1 4 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.862 0.494 19893 1509 1 4 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.163 0.118 19893 1510 1 4 . 1 1 30 30 GLU H H 30 9.081 9.081 7.738 1.343 19893 1511 1 4 . 1 1 31 31 LEU N N 31 120.990 120.990 121.227 -0.237 19893 1512 1 4 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.069 0.090 19893 1513 1 4 . 1 1 31 31 LEU C C 31 180.910 180.910 179.088 1.822 19893 1514 1 4 . 1 1 31 31 LEU CA C 31 59.080 59.080 57.994 1.086 19893 1515 1 4 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.254 -0.572 19893 1516 1 4 . 1 1 31 31 LEU H H 31 8.323 8.323 7.897 0.426 19893 1517 1 4 . 1 1 32 32 LEU N N 32 116.856 116.856 118.435 -1.579 19893 1518 1 4 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.250 -0.298 19893 1519 1 4 . 1 1 32 32 LEU C C 32 179.086 179.086 179.504 -0.418 19893 1520 1 4 . 1 1 32 32 LEU CA C 32 58.018 58.018 56.439 1.579 19893 1521 1 4 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.138 0.813 19893 1522 1 4 . 1 1 32 32 LEU H H 32 7.225 7.225 8.384 -1.159 19893 1523 1 4 . 1 1 33 33 LEU N N 33 117.769 117.769 122.213 -4.444 19893 1524 1 4 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.824 0.098 19893 1525 1 4 . 1 1 33 33 LEU C C 33 181.207 181.207 178.174 3.033 19893 1526 1 4 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.519 0.291 19893 1527 1 4 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.580 0.532 19893 1528 1 4 . 1 1 33 33 LEU H H 33 6.943 6.943 7.911 -0.968 19893 1529 1 4 . 1 1 34 34 ASN N N 34 118.848 118.848 115.895 2.953 19893 1530 1 4 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.363 0.173 19893 1531 1 4 . 1 1 34 34 ASN C C 34 178.881 178.881 177.909 0.972 19893 1532 1 4 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.245 0.058 19893 1533 1 4 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.716 -0.136 19893 1534 1 4 . 1 1 34 34 ASN H H 34 8.320 8.320 7.929 0.391 19893 1535 1 4 . 1 1 35 35 GLN N N 35 118.808 118.808 118.958 -0.150 19893 1536 1 4 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.278 0.069 19893 1537 1 4 . 1 1 35 35 GLN C C 35 177.483 177.483 178.527 -1.044 19893 1538 1 4 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.672 -1.397 19893 1539 1 4 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.697 1.181 19893 1540 1 4 . 1 1 35 35 GLN H H 35 8.053 8.053 8.608 -0.555 19893 1541 1 4 . 1 1 36 36 MET N N 36 116.334 116.334 119.885 -3.551 19893 1542 1 4 . 1 1 36 36 MET HA H 36 4.718 4.718 4.405 0.313 19893 1543 1 4 . 1 1 36 36 MET C C 36 177.424 177.424 178.997 -1.573 19893 1544 1 4 . 1 1 36 36 MET CA C 36 54.879 54.879 56.949 -2.070 19893 1545 1 4 . 1 1 36 36 MET CB C 36 31.263 31.263 31.248 0.015 19893 1546 1 4 . 1 1 36 36 MET H H 36 7.596 7.596 7.618 -0.022 19893 1547 1 4 . 1 1 37 37 GLY N N 37 106.238 106.238 105.919 0.319 19893 1548 1 4 . 1 1 37 37 GLY C C 37 175.666 175.666 175.170 0.496 19893 1549 1 4 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.318 1.255 19893 1550 1 4 . 1 1 37 37 GLY H H 37 7.827 7.827 8.118 -0.291 19893 1551 1 4 . 1 1 38 38 LYS N N 38 120.688 120.688 120.203 0.485 19893 1552 1 4 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.136 0.277 19893 1553 1 4 . 1 1 38 38 LYS C C 38 176.395 176.395 178.783 -2.388 19893 1554 1 4 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.472 -2.140 19893 1555 1 4 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.851 -0.760 19893 1556 1 4 . 1 1 38 38 LYS H H 38 8.543 8.543 7.609 0.934 19893 1557 1 4 . 1 1 39 39 VAL N N 39 123.143 123.143 115.638 7.505 19893 1558 1 4 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.840 0.237 19893 1559 1 4 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.073 -2.244 19893 1560 1 4 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.876 1.834 19893 1561 1 4 . 1 1 39 39 VAL H H 39 7.711 7.711 8.297 -0.586 19893 1562 1 4 . 1 1 40 40 ASN N N 40 125.464 125.464 117.077 8.387 19893 1563 1 4 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.880 -0.097 19893 1564 1 4 . 1 1 40 40 ASN C C 40 174.870 174.870 173.843 1.027 19893 1565 1 4 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.473 0.021 19893 1566 1 4 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.490 -0.097 19893 1567 1 4 . 1 1 40 40 ASN H H 40 8.692 8.692 8.256 0.436 19893 1568 1 4 . 1 1 41 41 ASP N N 41 116.195 116.195 117.339 -1.144 19893 1569 1 4 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.511 0.622 19893 1570 1 4 . 1 1 41 41 ASP C C 41 177.048 177.048 175.446 1.602 19893 1571 1 4 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.247 1.175 19893 1572 1 4 . 1 1 41 41 ASP CB C 41 43.353 43.353 40.402 2.951 19893 1573 1 4 . 1 1 41 41 ASP H H 41 8.403 8.403 8.518 -0.115 19893 1574 1 4 . 1 1 42 42 THR N N 42 111.139 111.139 107.622 3.517 19893 1575 1 4 . 1 1 42 42 THR HA H 42 4.646 4.646 4.446 0.200 19893 1576 1 4 . 1 1 42 42 THR CA C 42 57.844 57.844 63.093 -5.248 19893 1577 1 4 . 1 1 42 42 THR CB C 42 70.269 70.269 68.212 2.057 19893 1578 1 4 . 1 1 42 42 THR H H 42 7.532 7.532 7.715 -0.183 19893 1579 1 4 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.563 -0.029 19893 1580 1 4 . 1 1 43 43 PRO C C 43 175.550 175.550 176.628 -1.078 19893 1581 1 4 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.423 0.701 19893 1582 1 4 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.499 3.951 19893 1583 1 4 . 1 1 44 44 GLU N N 44 121.809 121.809 121.792 0.017 19893 1584 1 4 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.284 -0.146 19893 1585 1 4 . 1 1 44 44 GLU C C 44 176.266 176.266 175.752 0.514 19893 1586 1 4 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.650 2.933 19893 1587 1 4 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.348 0.530 19893 1588 1 4 . 1 1 44 44 GLU H H 44 8.515 8.515 8.144 0.371 19893 1589 1 4 . 1 1 45 45 GLU N N 45 122.167 122.167 120.216 1.951 19893 1590 1 4 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.645 -0.293 19893 1591 1 4 . 1 1 45 45 GLU C C 45 175.468 175.468 177.053 -1.585 19893 1592 1 4 . 1 1 45 45 GLU CA C 45 54.805 54.805 54.119 0.686 19893 1593 1 4 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.945 1.480 19893 1594 1 4 . 1 1 45 45 GLU H H 45 8.406 8.406 8.186 0.220 19893 1595 1 4 . 1 1 46 46 GLU N N 46 123.100 123.100 121.282 1.818 19893 1596 1 4 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.298 -0.550 19893 1597 1 4 . 1 1 46 46 GLU C C 46 177.108 177.108 176.155 0.953 19893 1598 1 4 . 1 1 46 46 GLU CA C 46 57.786 57.786 55.989 1.797 19893 1599 1 4 . 1 1 46 46 GLU CB C 46 28.617 28.617 27.863 0.754 19893 1600 1 4 . 1 1 46 46 GLU H H 46 8.729 8.729 8.696 0.033 19893 1601 1 4 . 1 1 47 47 GLY N N 47 102.684 102.684 108.042 -5.358 19893 1602 1 4 . 1 1 47 47 GLY C C 47 174.278 174.278 173.135 1.143 19893 1603 1 4 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.673 0.299 19893 1604 1 4 . 1 1 47 47 GLY H H 47 8.513 8.513 8.149 0.364 19893 1605 1 4 . 1 1 48 48 MET N N 48 120.460 120.460 121.798 -1.338 19893 1606 1 4 . 1 1 48 48 MET HA H 48 5.004 5.004 4.957 0.047 19893 1607 1 4 . 1 1 48 48 MET CA C 48 53.307 53.307 52.755 0.552 19893 1608 1 4 . 1 1 48 48 MET CB C 48 35.537 35.537 34.093 1.444 19893 1609 1 4 . 1 1 48 48 MET H H 48 8.056 8.056 8.004 0.052 19893 1610 1 4 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.923 0.228 19893 1611 1 4 . 1 1 50 50 LEU C C 50 179.381 179.381 178.556 0.825 19893 1612 1 4 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.347 1.537 19893 1613 1 4 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.597 0.197 19893 1614 1 4 . 1 1 51 51 ARG N N 51 113.058 113.058 118.965 -5.907 19893 1615 1 4 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.833 -0.007 19893 1616 1 4 . 1 1 51 51 ARG C C 51 178.376 178.376 177.890 0.486 19893 1617 1 4 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.096 2.377 19893 1618 1 4 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.666 2.429 19893 1619 1 4 . 1 1 51 51 ARG H H 51 8.076 8.076 8.352 -0.276 19893 1620 1 4 . 1 1 52 52 ALA N N 52 118.144 118.144 124.076 -5.932 19893 1621 1 4 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.039 0.051 19893 1622 1 4 . 1 1 52 52 ALA C C 52 180.673 180.673 179.760 0.913 19893 1623 1 4 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.792 0.179 19893 1624 1 4 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.506 0.412 19893 1625 1 4 . 1 1 52 52 ALA H H 52 7.095 7.095 7.662 -0.567 19893 1626 1 4 . 1 1 53 53 TRP N N 53 121.809 121.809 117.057 4.752 19893 1627 1 4 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.520 -0.211 19893 1628 1 4 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.514 4.418 19893 1629 1 4 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.862 -0.350 19893 1630 1 4 . 1 1 53 53 TRP H H 53 8.608 8.608 7.833 0.775 19893 1631 1 4 . 1 1 54 54 VAL N N 54 120.508 120.508 122.624 -2.116 19893 1632 1 4 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.900 -0.056 19893 1633 1 4 . 1 1 54 54 VAL C C 54 177.917 177.917 178.147 -0.230 19893 1634 1 4 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.189 1.245 19893 1635 1 4 . 1 1 54 54 VAL CB C 54 31.517 31.517 31.105 0.412 19893 1636 1 4 . 1 1 54 54 VAL H H 54 8.352 8.352 7.444 0.908 19893 1637 1 4 . 1 1 55 55 ILE N N 55 118.131 118.131 120.503 -2.372 19893 1638 1 4 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.935 -0.608 19893 1639 1 4 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.863 0.927 19893 1640 1 4 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.567 1.702 19893 1641 1 4 . 1 1 55 55 ILE H H 55 7.574 7.574 8.448 -0.874 19893 1642 1 4 . 1 1 56 56 LYS N N 56 120.517 120.517 120.837 -0.320 19893 1643 1 4 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.299 -0.247 19893 1644 1 4 . 1 1 56 56 LYS C C 56 179.574 179.574 179.121 0.453 19893 1645 1 4 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.712 0.863 19893 1646 1 4 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.698 1.433 19893 1647 1 4 . 1 1 56 56 LYS H H 56 8.354 8.354 8.366 -0.012 19893 1648 1 4 . 1 1 57 57 CYS N N 57 116.239 116.239 117.505 -1.266 19893 1649 1 4 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.290 -0.376 19893 1650 1 4 . 1 1 57 57 CYS C C 57 178.985 178.985 177.116 1.869 19893 1651 1 4 . 1 1 57 57 CYS CA C 57 63.432 63.432 62.042 1.390 19893 1652 1 4 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.231 1.358 19893 1653 1 4 . 1 1 57 57 CYS H H 57 8.501 8.501 8.091 0.410 19893 1654 1 4 . 1 1 58 58 ALA N N 58 123.819 123.819 123.088 0.731 19893 1655 1 4 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.075 -0.040 19893 1656 1 4 . 1 1 58 58 ALA C C 58 177.753 177.753 178.851 -1.098 19893 1657 1 4 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.371 0.706 19893 1658 1 4 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.093 0.136 19893 1659 1 4 . 1 1 58 58 ALA H H 58 8.605 8.605 8.524 0.081 19893 1660 1 4 . 1 1 59 59 HIS N N 59 115.595 115.595 118.688 -3.093 19893 1661 1 4 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.046 -0.531 19893 1662 1 4 . 1 1 59 59 HIS C C 59 177.271 177.271 177.530 -0.259 19893 1663 1 4 . 1 1 59 59 HIS CA C 59 60.700 60.700 60.176 0.524 19893 1664 1 4 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.999 -2.208 19893 1665 1 4 . 1 1 59 59 HIS H H 59 8.132 8.132 8.764 -0.632 19893 1666 1 4 . 1 1 60 60 GLU N N 60 117.847 117.847 118.617 -0.770 19893 1667 1 4 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.680 0.094 19893 1668 1 4 . 1 1 60 60 GLU C C 60 179.157 179.157 177.501 1.656 19893 1669 1 4 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.424 1.350 19893 1670 1 4 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.216 0.681 19893 1671 1 4 . 1 1 60 60 GLU H H 60 8.623 8.623 8.489 0.134 19893 1672 1 4 . 1 1 61 61 ALA N N 61 122.193 122.193 120.514 1.679 19893 1673 1 4 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.306 -0.243 19893 1674 1 4 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.186 1.148 19893 1675 1 4 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.254 -0.895 19893 1676 1 4 . 1 1 61 61 ALA H H 61 7.891 7.891 7.457 0.434 19893 1677 1 4 . 1 1 62 62 LEU N N 62 120.135 120.135 120.483 -0.348 19893 1678 1 4 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.179 -0.218 19893 1679 1 4 . 1 1 62 62 LEU C C 62 178.813 178.813 178.346 0.467 19893 1680 1 4 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.946 0.573 19893 1681 1 4 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.734 0.950 19893 1682 1 4 . 1 1 62 62 LEU H H 62 7.080 7.080 7.972 -0.892 19893 1683 1 4 . 1 1 63 63 GLU N N 63 118.288 118.288 118.933 -0.645 19893 1684 1 4 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.953 -0.247 19893 1685 1 4 . 1 1 63 63 GLU C C 63 179.261 179.261 177.606 1.655 19893 1686 1 4 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.432 0.764 19893 1687 1 4 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.212 0.853 19893 1688 1 4 . 1 1 63 63 GLU H H 63 7.594 7.594 8.083 -0.489 19893 1689 1 4 . 1 1 64 64 LYS N N 64 116.167 116.167 119.665 -3.498 19893 1690 1 4 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.095 -0.018 19893 1691 1 4 . 1 1 64 64 LYS C C 64 177.763 177.763 176.708 1.055 19893 1692 1 4 . 1 1 64 64 LYS H H 64 7.342 7.342 7.713 -0.371 19893 1693 1 4 . 1 1 65 65 ASN N N 65 113.899 113.899 116.017 -2.118 19893 1694 1 4 . 1 1 65 65 ASN HA H 65 4.955 4.955 5.015 -0.060 19893 1695 1 4 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.466 0.387 19893 1696 1 4 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.358 -0.895 19893 1697 1 4 . 1 1 65 65 ASN H H 65 7.480 7.480 7.794 -0.314 19893 1698 1 4 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.809 -0.214 19893 1699 1 4 . 1 1 66 66 PRO C C 66 177.769 177.769 175.492 2.277 19893 1700 1 4 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.286 2.191 19893 1701 1 4 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.543 2.297 19893 1702 1 4 . 1 1 67 67 LYS N N 67 115.189 115.189 121.445 -6.256 19893 1703 1 4 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.425 -0.161 19893 1704 1 4 . 1 1 67 67 LYS C C 67 178.271 178.271 174.130 4.141 19893 1705 1 4 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.309 0.597 19893 1706 1 4 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.881 -2.750 19893 1707 1 4 . 1 1 67 67 LYS H H 67 7.611 7.611 7.691 -0.080 19893 1708 1 4 . 1 1 68 68 ILE N N 68 118.905 118.905 123.366 -4.461 19893 1709 1 4 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.377 -1.207 19893 1710 1 4 . 1 1 68 68 ILE C C 68 177.006 177.006 174.865 2.141 19893 1711 1 4 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.684 3.689 19893 1712 1 4 . 1 1 68 68 ILE CB C 68 39.916 39.916 38.971 0.945 19893 1713 1 4 . 1 1 68 68 ILE H H 68 7.662 7.662 8.448 -0.786 19893 1714 1 4 . 1 1 69 69 ARG N N 69 119.690 119.690 128.640 -8.950 19893 1715 1 4 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.658 0.298 19893 1716 1 4 . 1 1 69 69 ARG C C 69 175.294 175.294 173.916 1.378 19893 1717 1 4 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.975 -0.482 19893 1718 1 4 . 1 1 69 69 ARG CB C 69 31.487 31.487 35.208 -3.721 19893 1719 1 4 . 1 1 69 69 ARG H H 69 9.018 9.018 9.096 -0.078 19893 1720 1 4 . 1 1 70 70 GLU N N 70 116.461 116.461 121.939 -5.478 19893 1721 1 4 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.662 0.299 19893 1722 1 4 . 1 1 70 70 GLU C C 70 174.398 174.398 175.009 -0.611 19893 1723 1 4 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.818 -0.281 19893 1724 1 4 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.184 0.666 19893 1725 1 4 . 1 1 70 70 GLU H H 70 7.565 7.565 8.441 -0.876 19893 1726 1 4 . 1 1 71 71 VAL N N 71 116.838 116.838 120.577 -3.739 19893 1727 1 4 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.466 -0.005 19893 1728 1 4 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.142 0.882 19893 1729 1 4 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.070 -0.293 19893 1730 1 4 . 1 1 71 71 VAL H H 71 8.946 8.946 8.644 0.302 19893 1731 1 4 . 1 1 72 72 TYR N N 72 125.566 125.566 121.157 4.409 19893 1732 1 4 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.953 0.480 19893 1733 1 4 . 1 1 72 72 TYR C C 72 176.183 176.183 173.336 2.847 19893 1734 1 4 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.647 2.303 19893 1735 1 4 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.108 1.105 19893 1736 1 4 . 1 1 72 72 TYR H H 72 8.689 8.689 8.437 0.252 19893 1737 1 4 . 1 1 73 73 LEU N N 73 122.757 122.757 125.631 -2.874 19893 1738 1 4 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.684 0.336 19893 1739 1 4 . 1 1 73 73 LEU C C 73 176.134 176.134 175.869 0.265 19893 1740 1 4 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.032 -0.324 19893 1741 1 4 . 1 1 73 73 LEU CB C 73 46.349 46.349 44.261 2.087 19893 1742 1 4 . 1 1 73 73 LEU H H 73 9.202 9.202 8.779 0.423 19893 1743 1 4 . 1 1 74 74 LYS N N 74 124.941 124.941 125.653 -0.712 19893 1744 1 4 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.169 0.167 19893 1745 1 4 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.222 1.251 19893 1746 1 4 . 1 1 74 74 LYS CB C 74 34.986 34.986 33.994 0.992 19893 1747 1 4 . 1 1 74 74 LYS H H 74 9.205 9.205 8.562 0.643 19893 1748 1 4 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.311 1.648 19893 1749 1 4 . 1 1 75 75 PRO C C 75 176.549 176.549 176.963 -0.414 19893 1750 1 4 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.083 1.367 19893 1751 1 4 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.508 1.110 19893 1752 1 4 . 1 1 76 76 ARG N N 76 122.429 122.429 123.230 -0.801 19893 1753 1 4 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.104 0.304 19893 1754 1 4 . 1 1 76 76 ARG C C 76 178.244 178.244 174.777 3.467 19893 1755 1 4 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.587 1.236 19893 1756 1 4 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.805 4.650 19893 1757 1 4 . 1 1 76 76 ARG H H 76 10.063 10.063 8.115 1.948 19893 1758 1 4 . 1 1 77 77 ALA N N 77 127.287 127.287 123.764 3.523 19893 1759 1 4 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.621 -0.480 19893 1760 1 4 . 1 1 77 77 ALA C C 77 179.691 179.691 177.109 2.582 19893 1761 1 4 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.621 4.247 19893 1762 1 4 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.756 -1.254 19893 1763 1 4 . 1 1 77 77 ALA H H 77 9.710 9.710 8.136 1.574 19893 1764 1 4 . 1 1 78 78 VAL N N 78 118.326 118.326 117.667 0.659 19893 1765 1 4 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.145 -0.124 19893 1766 1 4 . 1 1 78 78 VAL CA C 78 63.481 63.481 64.283 -0.802 19893 1767 1 4 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.473 0.126 19893 1768 1 4 . 1 1 78 78 VAL H H 78 7.954 7.954 8.244 -0.290 19893 1769 1 4 . 1 1 79 79 LYS N N 79 125.429 125.429 120.480 4.949 19893 1770 1 4 . 1 1 79 79 LYS CA C 79 59.788 59.788 54.880 4.908 19893 1771 1 4 . 1 1 79 79 LYS H H 79 8.695 8.695 7.832 0.863 19893 1772 1 4 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.799 -0.009 19893 1773 1 4 . 1 1 80 80 ASN C C 80 175.317 175.317 176.426 -1.109 19893 1774 1 4 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.611 0.093 19893 1775 1 4 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.460 -0.606 19893 1776 1 4 . 1 1 81 81 SER N N 81 113.408 113.408 122.335 -8.927 19893 1777 1 4 . 1 1 81 81 SER HA H 81 4.408 4.408 4.423 -0.015 19893 1778 1 4 . 1 1 81 81 SER CA C 81 59.296 59.296 57.662 1.634 19893 1779 1 4 . 1 1 81 81 SER CB C 81 64.171 64.171 62.533 1.638 19893 1780 1 4 . 1 1 81 81 SER H H 81 7.715 7.715 9.065 -1.350 19893 1781 1 4 . 1 1 82 82 SER N N 82 117.894 117.894 114.677 3.217 19893 1782 1 4 . 1 1 82 82 SER HA H 82 4.541 4.541 4.076 0.465 19893 1783 1 4 . 1 1 82 82 SER C C 82 174.196 174.196 172.941 1.255 19893 1784 1 4 . 1 1 82 82 SER CA C 82 58.767 58.767 59.243 -0.476 19893 1785 1 4 . 1 1 82 82 SER CB C 82 64.382 64.382 61.356 3.026 19893 1786 1 4 . 1 1 82 82 SER H H 82 8.472 8.472 8.073 0.399 19893 1787 1 4 . 1 1 83 83 VAL N N 83 122.430 122.430 120.360 2.070 19893 1788 1 4 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.242 0.159 19893 1789 1 4 . 1 1 83 83 VAL C C 83 174.614 174.614 174.607 0.007 19893 1790 1 4 . 1 1 83 83 VAL CA C 83 62.532 62.532 62.223 0.309 19893 1791 1 4 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.001 1.387 19893 1792 1 4 . 1 1 83 83 VAL H H 83 7.686 7.686 8.492 -0.806 19893 1793 1 4 . 1 1 84 84 GLN N N 84 123.141 123.141 125.925 -2.784 19893 1794 1 4 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.049 -0.262 19893 1795 1 4 . 1 1 84 84 GLN C C 84 174.077 174.077 175.076 -0.999 19893 1796 1 4 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.791 0.282 19893 1797 1 4 . 1 1 84 84 GLN CB C 84 32.723 32.723 31.082 1.641 19893 1798 1 4 . 1 1 84 84 GLN H H 84 8.287 8.287 8.833 -0.546 19893 1799 1 4 . 1 1 85 85 PHE N N 85 121.281 121.281 121.789 -0.508 19893 1800 1 4 . 1 1 85 85 PHE HA H 85 5.288 5.288 4.971 0.317 19893 1801 1 4 . 1 1 85 85 PHE C C 85 175.063 175.063 175.398 -0.335 19893 1802 1 4 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.680 0.755 19893 1803 1 4 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.103 -1.895 19893 1804 1 4 . 1 1 85 85 PHE H H 85 9.241 9.241 9.603 -0.362 19893 1805 1 4 . 1 1 86 86 HIS N N 86 125.300 125.300 122.526 2.774 19893 1806 1 4 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.047 -0.300 19893 1807 1 4 . 1 1 86 86 HIS C C 86 172.315 172.315 172.911 -0.596 19893 1808 1 4 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.094 -2.741 19893 1809 1 4 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.962 -2.877 19893 1810 1 4 . 1 1 86 86 HIS H H 86 9.340 9.340 8.784 0.556 19893 1811 1 4 . 1 1 87 87 VAL N N 87 127.396 127.396 128.311 -0.915 19893 1812 1 4 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.238 -1.015 19893 1813 1 4 . 1 1 87 87 VAL C C 87 173.887 173.887 173.210 0.677 19893 1814 1 4 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.336 2.802 19893 1815 1 4 . 1 1 87 87 VAL CB C 87 31.976 31.976 36.224 -4.248 19893 1816 1 4 . 1 1 87 87 VAL H H 87 8.722 8.722 9.144 -0.422 19893 1817 1 4 . 1 1 88 88 ILE N N 88 127.814 127.814 128.420 -0.606 19893 1818 1 4 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.118 -0.333 19893 1819 1 4 . 1 1 88 88 ILE C C 88 174.542 174.542 174.815 -0.273 19893 1820 1 4 . 1 1 88 88 ILE CA C 88 60.420 60.420 60.051 0.369 19893 1821 1 4 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.589 2.479 19893 1822 1 4 . 1 1 88 88 ILE H H 88 8.605 8.605 8.333 0.272 19893 1823 1 4 . 1 1 89 89 PHE N N 89 125.156 125.156 128.571 -3.415 19893 1824 1 4 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.130 0.551 19893 1825 1 4 . 1 1 89 89 PHE C C 89 175.138 175.138 175.646 -0.508 19893 1826 1 4 . 1 1 89 89 PHE CA C 89 53.319 53.319 54.856 -1.537 19893 1827 1 4 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.763 1.647 19893 1828 1 4 . 1 1 89 89 PHE H H 89 7.872 7.872 8.954 -1.082 19893 1829 1 4 . 1 1 90 90 ASP N N 90 125.113 125.113 126.495 -1.382 19893 1830 1 4 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.868 -0.057 19893 1831 1 4 . 1 1 90 90 ASP C C 90 176.988 176.988 175.735 1.253 19893 1832 1 4 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.744 0.757 19893 1833 1 4 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.225 1.061 19893 1834 1 4 . 1 1 90 90 ASP H H 90 8.740 8.740 8.936 -0.196 19893 1835 1 4 . 1 1 91 91 GLU N N 91 124.589 124.589 126.596 -2.007 19893 1836 1 4 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.596 -0.222 19893 1837 1 4 . 1 1 91 91 GLU C C 91 175.801 175.801 175.376 0.425 19893 1838 1 4 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.034 3.437 19893 1839 1 4 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.385 1.807 19893 1840 1 4 . 1 1 91 91 GLU H H 91 9.028 9.028 8.209 0.819 19893 1841 1 5 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.284 0.068 19893 1842 1 5 . 1 1 8 8 PRO C C 8 176.467 176.467 176.038 0.429 19893 1843 1 5 . 1 1 8 8 PRO CA C 8 63.363 63.363 64.178 -0.815 19893 1844 1 5 . 1 1 8 8 PRO CB C 8 32.389 32.389 32.339 0.050 19893 1845 1 5 . 1 1 9 9 ALA N N 9 124.419 124.419 116.702 7.717 19893 1846 1 5 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.708 -0.301 19893 1847 1 5 . 1 1 9 9 ALA C C 9 177.826 177.826 175.764 2.062 19893 1848 1 5 . 1 1 9 9 ALA CA C 9 52.552 52.552 51.326 1.226 19893 1849 1 5 . 1 1 9 9 ALA CB C 9 19.854 19.854 21.430 -1.576 19893 1850 1 5 . 1 1 9 9 ALA H H 9 8.301 8.301 7.472 0.829 19893 1851 1 5 . 1 1 10 10 VAL N N 10 120.778 120.778 120.558 0.220 19893 1852 1 5 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.342 -0.183 19893 1853 1 5 . 1 1 10 10 VAL C C 10 175.233 175.233 174.233 1.000 19893 1854 1 5 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.299 0.834 19893 1855 1 5 . 1 1 10 10 VAL CB C 10 33.820 33.820 34.053 -0.233 19893 1856 1 5 . 1 1 10 10 VAL H H 10 8.095 8.095 8.734 -0.639 19893 1857 1 5 . 1 1 11 11 ASP N N 11 125.133 125.133 127.656 -2.523 19893 1858 1 5 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.010 0.022 19893 1859 1 5 . 1 1 11 11 ASP C C 11 176.892 176.892 174.982 1.910 19893 1860 1 5 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.093 1.500 19893 1861 1 5 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.276 0.386 19893 1862 1 5 . 1 1 11 11 ASP H H 11 8.285 8.285 8.544 -0.259 19893 1863 1 5 . 1 1 12 12 VAL N N 12 124.553 124.553 124.180 0.373 19893 1864 1 5 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.230 -0.105 19893 1865 1 5 . 1 1 12 12 VAL C C 12 175.226 175.226 174.035 1.191 19893 1866 1 5 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.462 2.160 19893 1867 1 5 . 1 1 12 12 VAL CB C 12 33.328 33.328 34.898 -1.570 19893 1868 1 5 . 1 1 12 12 VAL H H 12 8.615 8.615 8.255 0.360 19893 1869 1 5 . 1 1 13 13 GLU N N 13 130.776 130.776 125.704 5.072 19893 1870 1 5 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.146 -0.055 19893 1871 1 5 . 1 1 13 13 GLU C C 13 175.853 175.853 175.203 0.650 19893 1872 1 5 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.319 0.950 19893 1873 1 5 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.916 -0.280 19893 1874 1 5 . 1 1 13 13 GLU H H 13 8.796 8.796 8.347 0.449 19893 1875 1 5 . 1 1 14 14 ILE N N 14 128.969 128.969 121.690 7.279 19893 1876 1 5 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.806 -0.433 19893 1877 1 5 . 1 1 14 14 ILE C C 14 174.048 174.048 173.663 0.385 19893 1878 1 5 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.041 -0.262 19893 1879 1 5 . 1 1 14 14 ILE CB C 14 41.986 41.986 40.502 1.484 19893 1880 1 5 . 1 1 14 14 ILE H H 14 8.602 8.602 8.913 -0.311 19893 1881 1 5 . 1 1 15 15 HIS N N 15 124.354 124.354 124.640 -0.286 19893 1882 1 5 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.776 0.478 19893 1883 1 5 . 1 1 15 15 HIS C C 15 174.830 174.830 173.790 1.040 19893 1884 1 5 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.515 0.872 19893 1885 1 5 . 1 1 15 15 HIS CB C 15 30.504 30.504 32.167 -1.663 19893 1886 1 5 . 1 1 15 15 HIS H H 15 8.926 8.926 9.672 -0.746 19893 1887 1 5 . 1 1 16 16 PHE N N 16 117.887 117.887 126.120 -8.233 19893 1888 1 5 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.969 0.632 19893 1889 1 5 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.612 -2.052 19893 1890 1 5 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.270 1.720 19893 1891 1 5 . 1 1 16 16 PHE H H 16 8.758 8.758 9.303 -0.545 19893 1892 1 5 . 1 1 17 17 PRO HA H 17 4.759 4.759 5.012 -0.253 19893 1893 1 5 . 1 1 17 17 PRO C C 17 178.833 178.833 177.202 1.631 19893 1894 1 5 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.741 1.317 19893 1895 1 5 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.996 -1.036 19893 1896 1 5 . 1 1 18 18 LEU N N 18 131.092 131.092 122.108 8.984 19893 1897 1 5 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.172 -0.426 19893 1898 1 5 . 1 1 18 18 LEU C C 18 177.657 177.657 176.421 1.236 19893 1899 1 5 . 1 1 18 18 LEU CA C 18 59.042 59.042 56.163 2.879 19893 1900 1 5 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.785 1.989 19893 1901 1 5 . 1 1 18 18 LEU H H 18 9.189 9.189 8.602 0.587 19893 1902 1 5 . 1 1 19 19 LYS N N 19 113.358 113.358 113.641 -0.283 19893 1903 1 5 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.382 -0.467 19893 1904 1 5 . 1 1 19 19 LYS C C 19 179.580 179.580 176.644 2.936 19893 1905 1 5 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.188 3.287 19893 1906 1 5 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.580 0.096 19893 1907 1 5 . 1 1 19 19 LYS H H 19 8.967 8.967 7.750 1.217 19893 1908 1 5 . 1 1 20 20 ARG N N 20 113.649 113.649 119.250 -5.601 19893 1909 1 5 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.546 -0.194 19893 1910 1 5 . 1 1 20 20 ARG C C 20 179.148 179.148 178.019 1.129 19893 1911 1 5 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.613 1.190 19893 1912 1 5 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.161 -1.031 19893 1913 1 5 . 1 1 20 20 ARG H H 20 7.118 7.118 8.096 -0.978 19893 1914 1 5 . 1 1 21 21 ILE N N 21 117.305 117.305 116.961 0.344 19893 1915 1 5 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.932 0.386 19893 1916 1 5 . 1 1 21 21 ILE C C 21 175.336 175.336 175.719 -0.383 19893 1917 1 5 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.698 -2.106 19893 1918 1 5 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.916 2.100 19893 1919 1 5 . 1 1 21 21 ILE H H 21 7.752 7.752 7.784 -0.032 19893 1920 1 5 . 1 1 22 22 ALA N N 22 123.637 123.637 118.992 4.645 19893 1921 1 5 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.353 -0.266 19893 1922 1 5 . 1 1 22 22 ALA C C 22 177.701 177.701 177.043 0.658 19893 1923 1 5 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.320 2.070 19893 1924 1 5 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.464 0.584 19893 1925 1 5 . 1 1 22 22 ALA H H 22 7.759 7.759 7.917 -0.158 19893 1926 1 5 . 1 1 23 23 ALA N N 23 120.182 120.182 122.710 -2.528 19893 1927 1 5 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.339 -0.054 19893 1928 1 5 . 1 1 23 23 ALA C C 23 178.285 178.285 177.428 0.857 19893 1929 1 5 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.663 -0.757 19893 1930 1 5 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.423 -0.233 19893 1931 1 5 . 1 1 23 23 ALA H H 23 6.732 6.732 8.030 -1.298 19893 1932 1 5 . 1 1 24 24 GLU N N 24 119.837 119.837 115.141 4.696 19893 1933 1 5 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.362 -0.197 19893 1934 1 5 . 1 1 24 24 GLU C C 24 179.026 179.026 177.227 1.799 19893 1935 1 5 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.175 3.307 19893 1936 1 5 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.318 -0.341 19893 1937 1 5 . 1 1 24 24 GLU H H 24 8.830 8.830 7.710 1.120 19893 1938 1 5 . 1 1 25 25 GLY N N 25 107.505 107.505 109.587 -2.082 19893 1939 1 5 . 1 1 25 25 GLY C C 25 176.338 176.338 175.431 0.907 19893 1940 1 5 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.312 -0.235 19893 1941 1 5 . 1 1 25 25 GLY H H 25 8.425 8.425 8.326 0.099 19893 1942 1 5 . 1 1 26 26 TYR N N 26 119.505 119.505 122.167 -2.662 19893 1943 1 5 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.993 0.263 19893 1944 1 5 . 1 1 26 26 TYR C C 26 176.005 176.005 177.802 -1.797 19893 1945 1 5 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.239 -0.525 19893 1946 1 5 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.908 -0.411 19893 1947 1 5 . 1 1 26 26 TYR H H 26 7.262 7.262 7.871 -0.609 19893 1948 1 5 . 1 1 27 27 ALA N N 27 122.574 122.574 119.337 3.237 19893 1949 1 5 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.902 -0.438 19893 1950 1 5 . 1 1 27 27 ALA C C 27 178.550 178.550 179.373 -0.823 19893 1951 1 5 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.866 -0.694 19893 1952 1 5 . 1 1 27 27 ALA CB C 27 18.075 18.075 17.936 0.139 19893 1953 1 5 . 1 1 27 27 ALA H H 27 6.867 6.867 7.964 -1.097 19893 1954 1 5 . 1 1 28 28 GLU N N 28 114.244 114.244 119.274 -5.030 19893 1955 1 5 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.769 0.570 19893 1956 1 5 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.418 -4.166 19893 1957 1 5 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.535 0.910 19893 1958 1 5 . 1 1 28 28 GLU H H 28 7.285 7.285 8.111 -0.826 19893 1959 1 5 . 1 1 29 29 ASP N N 29 120.177 120.177 118.497 1.680 19893 1960 1 5 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.312 0.145 19893 1961 1 5 . 1 1 29 29 ASP C C 29 177.771 177.771 179.034 -1.263 19893 1962 1 5 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.520 -3.072 19893 1963 1 5 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.039 0.650 19893 1964 1 5 . 1 1 29 29 ASP H H 29 7.083 7.083 8.281 -1.198 19893 1965 1 5 . 1 1 30 30 GLU N N 30 129.724 129.724 118.966 10.758 19893 1966 1 5 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.216 -0.254 19893 1967 1 5 . 1 1 30 30 GLU C C 30 178.184 178.184 178.865 -0.681 19893 1968 1 5 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.922 0.434 19893 1969 1 5 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.277 0.004 19893 1970 1 5 . 1 1 30 30 GLU H H 30 9.081 9.081 7.760 1.321 19893 1971 1 5 . 1 1 31 31 LEU N N 31 120.990 120.990 121.675 -0.685 19893 1972 1 5 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.140 0.019 19893 1973 1 5 . 1 1 31 31 LEU C C 31 180.910 180.910 178.774 2.136 19893 1974 1 5 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.109 0.971 19893 1975 1 5 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.005 -0.323 19893 1976 1 5 . 1 1 31 31 LEU H H 31 8.323 8.323 7.829 0.494 19893 1977 1 5 . 1 1 32 32 LEU N N 32 116.856 116.856 118.993 -2.137 19893 1978 1 5 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.306 -0.354 19893 1979 1 5 . 1 1 32 32 LEU C C 32 179.086 179.086 179.224 -0.138 19893 1980 1 5 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.203 0.815 19893 1981 1 5 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.840 0.111 19893 1982 1 5 . 1 1 32 32 LEU H H 32 7.225 7.225 8.534 -1.309 19893 1983 1 5 . 1 1 33 33 LEU N N 33 117.769 117.769 121.981 -4.212 19893 1984 1 5 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.907 0.015 19893 1985 1 5 . 1 1 33 33 LEU C C 33 181.207 181.207 178.233 2.974 19893 1986 1 5 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.335 0.475 19893 1987 1 5 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.555 0.557 19893 1988 1 5 . 1 1 33 33 LEU H H 33 6.943 6.943 8.102 -1.159 19893 1989 1 5 . 1 1 34 34 ASN N N 34 118.848 118.848 115.993 2.855 19893 1990 1 5 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.368 0.168 19893 1991 1 5 . 1 1 34 34 ASN C C 34 178.881 178.881 177.939 0.942 19893 1992 1 5 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.254 0.049 19893 1993 1 5 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.679 -0.099 19893 1994 1 5 . 1 1 34 34 ASN H H 34 8.320 8.320 8.049 0.271 19893 1995 1 5 . 1 1 35 35 GLN N N 35 118.808 118.808 118.213 0.595 19893 1996 1 5 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.259 0.088 19893 1997 1 5 . 1 1 35 35 GLN C C 35 177.483 177.483 178.331 -0.848 19893 1998 1 5 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.701 -1.426 19893 1999 1 5 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.922 0.956 19893 2000 1 5 . 1 1 35 35 GLN H H 35 8.053 8.053 8.469 -0.416 19893 2001 1 5 . 1 1 36 36 MET N N 36 116.334 116.334 120.301 -3.967 19893 2002 1 5 . 1 1 36 36 MET HA H 36 4.718 4.718 4.607 0.111 19893 2003 1 5 . 1 1 36 36 MET C C 36 177.424 177.424 178.149 -0.725 19893 2004 1 5 . 1 1 36 36 MET CA C 36 54.879 54.879 56.111 -1.232 19893 2005 1 5 . 1 1 36 36 MET CB C 36 31.263 31.263 32.332 -1.069 19893 2006 1 5 . 1 1 36 36 MET H H 36 7.596 7.596 7.605 -0.009 19893 2007 1 5 . 1 1 37 37 GLY N N 37 106.238 106.238 107.085 -0.847 19893 2008 1 5 . 1 1 37 37 GLY C C 37 175.666 175.666 175.140 0.526 19893 2009 1 5 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.113 1.460 19893 2010 1 5 . 1 1 37 37 GLY H H 37 7.827 7.827 8.267 -0.440 19893 2011 1 5 . 1 1 38 38 LYS N N 38 120.688 120.688 121.133 -0.445 19893 2012 1 5 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.129 0.284 19893 2013 1 5 . 1 1 38 38 LYS C C 38 176.395 176.395 179.167 -2.772 19893 2014 1 5 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.806 -2.474 19893 2015 1 5 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.823 -0.732 19893 2016 1 5 . 1 1 38 38 LYS H H 38 8.543 8.543 7.590 0.953 19893 2017 1 5 . 1 1 39 39 VAL N N 39 123.143 123.143 114.106 9.037 19893 2018 1 5 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.819 0.258 19893 2019 1 5 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.120 -2.291 19893 2020 1 5 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.741 1.969 19893 2021 1 5 . 1 1 39 39 VAL H H 39 7.711 7.711 8.055 -0.344 19893 2022 1 5 . 1 1 40 40 ASN N N 40 125.464 125.464 114.833 10.631 19893 2023 1 5 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.828 -0.045 19893 2024 1 5 . 1 1 40 40 ASN C C 40 174.870 174.870 175.327 -0.457 19893 2025 1 5 . 1 1 40 40 ASN CA C 40 53.494 53.494 54.188 -0.694 19893 2026 1 5 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.775 -0.382 19893 2027 1 5 . 1 1 40 40 ASN H H 40 8.692 8.692 7.690 1.002 19893 2028 1 5 . 1 1 41 41 ASP N N 41 116.195 116.195 117.588 -1.393 19893 2029 1 5 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.452 0.681 19893 2030 1 5 . 1 1 41 41 ASP C C 41 177.048 177.048 176.699 0.349 19893 2031 1 5 . 1 1 41 41 ASP CA C 41 56.422 56.422 57.126 -0.704 19893 2032 1 5 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.512 3.841 19893 2033 1 5 . 1 1 41 41 ASP H H 41 8.403 8.403 8.951 -0.548 19893 2034 1 5 . 1 1 42 42 THR N N 42 111.139 111.139 115.645 -4.506 19893 2035 1 5 . 1 1 42 42 THR HA H 42 4.646 4.646 4.653 -0.007 19893 2036 1 5 . 1 1 42 42 THR CA C 42 57.844 57.844 64.920 -7.076 19893 2037 1 5 . 1 1 42 42 THR CB C 42 70.269 70.269 69.334 0.935 19893 2038 1 5 . 1 1 42 42 THR H H 42 7.532 7.532 8.102 -0.570 19893 2039 1 5 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.528 0.006 19893 2040 1 5 . 1 1 43 43 PRO C C 43 175.550 175.550 176.253 -0.703 19893 2041 1 5 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.597 0.527 19893 2042 1 5 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.648 3.802 19893 2043 1 5 . 1 1 44 44 GLU N N 44 121.809 121.809 122.053 -0.244 19893 2044 1 5 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.378 -0.240 19893 2045 1 5 . 1 1 44 44 GLU C C 44 176.266 176.266 176.228 0.038 19893 2046 1 5 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.634 2.949 19893 2047 1 5 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.332 0.546 19893 2048 1 5 . 1 1 44 44 GLU H H 44 8.515 8.515 8.535 -0.020 19893 2049 1 5 . 1 1 45 45 GLU N N 45 122.167 122.167 119.231 2.936 19893 2050 1 5 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.494 -0.142 19893 2051 1 5 . 1 1 45 45 GLU C C 45 175.468 175.468 176.712 -1.244 19893 2052 1 5 . 1 1 45 45 GLU CA C 45 54.805 54.805 57.085 -2.280 19893 2053 1 5 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.741 1.683 19893 2054 1 5 . 1 1 45 45 GLU H H 45 8.406 8.406 8.547 -0.141 19893 2055 1 5 . 1 1 46 46 GLU N N 46 123.100 123.100 117.409 5.691 19893 2056 1 5 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.538 -0.790 19893 2057 1 5 . 1 1 46 46 GLU C C 46 177.108 177.108 175.420 1.688 19893 2058 1 5 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.310 1.476 19893 2059 1 5 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.796 -2.179 19893 2060 1 5 . 1 1 46 46 GLU H H 46 8.729 8.729 8.365 0.364 19893 2061 1 5 . 1 1 47 47 GLY N N 47 102.684 102.684 108.406 -5.722 19893 2062 1 5 . 1 1 47 47 GLY C C 47 174.278 174.278 173.166 1.112 19893 2063 1 5 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.374 0.598 19893 2064 1 5 . 1 1 47 47 GLY H H 47 8.513 8.513 8.955 -0.442 19893 2065 1 5 . 1 1 48 48 MET N N 48 120.460 120.460 122.359 -1.899 19893 2066 1 5 . 1 1 48 48 MET HA H 48 5.004 5.004 4.835 0.169 19893 2067 1 5 . 1 1 48 48 MET CA C 48 53.307 53.307 53.001 0.306 19893 2068 1 5 . 1 1 48 48 MET CB C 48 35.537 35.537 33.759 1.778 19893 2069 1 5 . 1 1 48 48 MET H H 48 8.056 8.056 8.058 -0.002 19893 2070 1 5 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.105 0.046 19893 2071 1 5 . 1 1 50 50 LEU C C 50 179.381 179.381 179.044 0.337 19893 2072 1 5 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.183 1.701 19893 2073 1 5 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.844 -0.050 19893 2074 1 5 . 1 1 51 51 ARG N N 51 113.058 113.058 118.986 -5.928 19893 2075 1 5 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.858 -0.032 19893 2076 1 5 . 1 1 51 51 ARG C C 51 178.376 178.376 177.837 0.539 19893 2077 1 5 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.423 2.050 19893 2078 1 5 . 1 1 51 51 ARG CB C 51 31.095 31.095 29.029 2.066 19893 2079 1 5 . 1 1 51 51 ARG H H 51 8.076 8.076 7.580 0.496 19893 2080 1 5 . 1 1 52 52 ALA N N 52 118.144 118.144 123.557 -5.413 19893 2081 1 5 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.064 0.026 19893 2082 1 5 . 1 1 52 52 ALA C C 52 180.673 180.673 179.913 0.760 19893 2083 1 5 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.734 0.237 19893 2084 1 5 . 1 1 52 52 ALA CB C 52 18.918 18.918 17.903 1.015 19893 2085 1 5 . 1 1 52 52 ALA H H 52 7.095 7.095 7.688 -0.593 19893 2086 1 5 . 1 1 53 53 TRP N N 53 121.809 121.809 116.723 5.086 19893 2087 1 5 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.552 -0.243 19893 2088 1 5 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.113 4.819 19893 2089 1 5 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.663 -0.151 19893 2090 1 5 . 1 1 53 53 TRP H H 53 8.608 8.608 7.839 0.769 19893 2091 1 5 . 1 1 54 54 VAL N N 54 120.508 120.508 122.669 -2.161 19893 2092 1 5 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.965 -0.121 19893 2093 1 5 . 1 1 54 54 VAL C C 54 177.917 177.917 178.086 -0.169 19893 2094 1 5 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.790 0.644 19893 2095 1 5 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.962 0.555 19893 2096 1 5 . 1 1 54 54 VAL H H 54 8.352 8.352 7.095 1.257 19893 2097 1 5 . 1 1 55 55 ILE N N 55 118.131 118.131 119.067 -0.936 19893 2098 1 5 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.959 -0.632 19893 2099 1 5 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.812 0.978 19893 2100 1 5 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.574 1.695 19893 2101 1 5 . 1 1 55 55 ILE H H 55 7.574 7.574 8.380 -0.806 19893 2102 1 5 . 1 1 56 56 LYS N N 56 120.517 120.517 121.720 -1.203 19893 2103 1 5 . 1 1 56 56 LYS HA H 56 4.052 4.052 3.956 0.096 19893 2104 1 5 . 1 1 56 56 LYS C C 56 179.574 179.574 178.441 1.133 19893 2105 1 5 . 1 1 56 56 LYS CA C 56 60.575 60.575 60.478 0.097 19893 2106 1 5 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.224 0.907 19893 2107 1 5 . 1 1 56 56 LYS H H 56 8.354 8.354 8.041 0.313 19893 2108 1 5 . 1 1 57 57 CYS N N 57 116.239 116.239 117.633 -1.394 19893 2109 1 5 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.106 -0.192 19893 2110 1 5 . 1 1 57 57 CYS C C 57 178.985 178.985 177.150 1.835 19893 2111 1 5 . 1 1 57 57 CYS CA C 57 63.432 63.432 63.204 0.228 19893 2112 1 5 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.223 0.366 19893 2113 1 5 . 1 1 57 57 CYS H H 57 8.501 8.501 8.073 0.428 19893 2114 1 5 . 1 1 58 58 ALA N N 58 123.819 123.819 123.545 0.274 19893 2115 1 5 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.421 -0.386 19893 2116 1 5 . 1 1 58 58 ALA C C 58 177.753 177.753 178.908 -1.155 19893 2117 1 5 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.531 0.546 19893 2118 1 5 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.358 -0.129 19893 2119 1 5 . 1 1 58 58 ALA H H 58 8.605 8.605 8.757 -0.152 19893 2120 1 5 . 1 1 59 59 HIS N N 59 115.595 115.595 115.925 -0.330 19893 2121 1 5 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.342 -0.827 19893 2122 1 5 . 1 1 59 59 HIS C C 59 177.271 177.271 177.588 -0.317 19893 2123 1 5 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.215 1.485 19893 2124 1 5 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.861 -2.071 19893 2125 1 5 . 1 1 59 59 HIS H H 59 8.132 8.132 8.633 -0.501 19893 2126 1 5 . 1 1 60 60 GLU N N 60 117.847 117.847 119.590 -1.743 19893 2127 1 5 . 1 1 60 60 GLU HA H 60 3.774 3.774 4.063 -0.289 19893 2128 1 5 . 1 1 60 60 GLU C C 60 179.157 179.157 177.252 1.905 19893 2129 1 5 . 1 1 60 60 GLU CA C 60 59.774 59.774 57.436 2.338 19893 2130 1 5 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.150 0.747 19893 2131 1 5 . 1 1 60 60 GLU H H 60 8.623 8.623 7.653 0.970 19893 2132 1 5 . 1 1 61 61 ALA N N 61 122.193 122.193 121.367 0.826 19893 2133 1 5 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.242 -0.179 19893 2134 1 5 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.195 1.139 19893 2135 1 5 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.120 -0.761 19893 2136 1 5 . 1 1 61 61 ALA H H 61 7.891 7.891 7.506 0.385 19893 2137 1 5 . 1 1 62 62 LEU N N 62 120.135 120.135 118.745 1.390 19893 2138 1 5 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.098 -0.137 19893 2139 1 5 . 1 1 62 62 LEU C C 62 178.813 178.813 178.536 0.277 19893 2140 1 5 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.691 0.827 19893 2141 1 5 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.791 0.893 19893 2142 1 5 . 1 1 62 62 LEU H H 62 7.080 7.080 7.391 -0.311 19893 2143 1 5 . 1 1 63 63 GLU N N 63 118.288 118.288 120.306 -2.018 19893 2144 1 5 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.971 -0.265 19893 2145 1 5 . 1 1 63 63 GLU C C 63 179.261 179.261 177.799 1.462 19893 2146 1 5 . 1 1 63 63 GLU CA C 63 59.196 59.196 59.041 0.155 19893 2147 1 5 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.176 0.889 19893 2148 1 5 . 1 1 63 63 GLU H H 63 7.594 7.594 7.918 -0.324 19893 2149 1 5 . 1 1 64 64 LYS N N 64 116.167 116.167 118.533 -2.366 19893 2150 1 5 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.056 0.021 19893 2151 1 5 . 1 1 64 64 LYS C C 64 177.763 177.763 176.905 0.858 19893 2152 1 5 . 1 1 64 64 LYS H H 64 7.342 7.342 7.996 -0.654 19893 2153 1 5 . 1 1 65 65 ASN N N 65 113.899 113.899 115.393 -1.494 19893 2154 1 5 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.999 -0.044 19893 2155 1 5 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.269 0.584 19893 2156 1 5 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.015 -0.552 19893 2157 1 5 . 1 1 65 65 ASN H H 65 7.480 7.480 7.747 -0.267 19893 2158 1 5 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.636 -0.041 19893 2159 1 5 . 1 1 66 66 PRO C C 66 177.769 177.769 175.352 2.417 19893 2160 1 5 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.356 2.121 19893 2161 1 5 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.389 2.451 19893 2162 1 5 . 1 1 67 67 LYS N N 67 115.189 115.189 120.920 -5.731 19893 2163 1 5 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.486 -0.222 19893 2164 1 5 . 1 1 67 67 LYS C C 67 178.271 178.271 174.390 3.881 19893 2165 1 5 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.012 0.894 19893 2166 1 5 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.916 -2.785 19893 2167 1 5 . 1 1 67 67 LYS H H 67 7.611 7.611 7.542 0.069 19893 2168 1 5 . 1 1 68 68 ILE N N 68 118.905 118.905 123.036 -4.131 19893 2169 1 5 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.269 -1.099 19893 2170 1 5 . 1 1 68 68 ILE C C 68 177.006 177.006 174.745 2.261 19893 2171 1 5 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.828 3.545 19893 2172 1 5 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.455 0.461 19893 2173 1 5 . 1 1 68 68 ILE H H 68 7.662 7.662 8.395 -0.733 19893 2174 1 5 . 1 1 69 69 ARG N N 69 119.690 119.690 129.661 -9.971 19893 2175 1 5 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.686 0.270 19893 2176 1 5 . 1 1 69 69 ARG C C 69 175.294 175.294 173.855 1.439 19893 2177 1 5 . 1 1 69 69 ARG CA C 69 54.493 54.493 55.292 -0.799 19893 2178 1 5 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.434 -2.947 19893 2179 1 5 . 1 1 69 69 ARG H H 69 9.018 9.018 9.227 -0.209 19893 2180 1 5 . 1 1 70 70 GLU N N 70 116.461 116.461 126.142 -9.681 19893 2181 1 5 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.889 0.072 19893 2182 1 5 . 1 1 70 70 GLU C C 70 174.398 174.398 174.850 -0.452 19893 2183 1 5 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.659 -0.122 19893 2184 1 5 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.616 0.234 19893 2185 1 5 . 1 1 70 70 GLU H H 70 7.565 7.565 8.543 -0.978 19893 2186 1 5 . 1 1 71 71 VAL N N 71 116.838 116.838 115.693 1.145 19893 2187 1 5 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.606 -0.145 19893 2188 1 5 . 1 1 71 71 VAL CA C 71 61.024 61.024 59.443 1.581 19893 2189 1 5 . 1 1 71 71 VAL CB C 71 35.777 35.777 35.515 0.262 19893 2190 1 5 . 1 1 71 71 VAL H H 71 8.946 8.946 8.639 0.307 19893 2191 1 5 . 1 1 72 72 TYR N N 72 125.566 125.566 118.099 7.467 19893 2192 1 5 . 1 1 72 72 TYR HA H 72 5.433 5.433 5.141 0.292 19893 2193 1 5 . 1 1 72 72 TYR C C 72 176.183 176.183 174.178 2.005 19893 2194 1 5 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.338 2.612 19893 2195 1 5 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.256 0.957 19893 2196 1 5 . 1 1 72 72 TYR H H 72 8.689 8.689 7.790 0.899 19893 2197 1 5 . 1 1 73 73 LEU N N 73 122.757 122.757 124.141 -1.384 19893 2198 1 5 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.865 0.155 19893 2199 1 5 . 1 1 73 73 LEU C C 73 176.134 176.134 175.969 0.165 19893 2200 1 5 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.158 -0.450 19893 2201 1 5 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.443 0.906 19893 2202 1 5 . 1 1 73 73 LEU H H 73 9.202 9.202 8.956 0.246 19893 2203 1 5 . 1 1 74 74 LYS N N 74 124.941 124.941 122.078 2.863 19893 2204 1 5 . 1 1 74 74 LYS HA H 74 5.336 5.336 4.953 0.383 19893 2205 1 5 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.570 0.903 19893 2206 1 5 . 1 1 74 74 LYS CB C 74 34.986 34.986 35.627 -0.640 19893 2207 1 5 . 1 1 74 74 LYS H H 74 9.205 9.205 8.587 0.618 19893 2208 1 5 . 1 1 75 75 PRO HA H 75 3.959 3.959 1.727 2.232 19893 2209 1 5 . 1 1 75 75 PRO C C 75 176.549 176.549 176.889 -0.340 19893 2210 1 5 . 1 1 75 75 PRO CA C 75 63.450 63.450 61.691 1.759 19893 2211 1 5 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.687 0.931 19893 2212 1 5 . 1 1 76 76 ARG N N 76 122.429 122.429 122.240 0.189 19893 2213 1 5 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.111 0.297 19893 2214 1 5 . 1 1 76 76 ARG C C 76 178.244 178.244 175.138 3.106 19893 2215 1 5 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.845 0.978 19893 2216 1 5 . 1 1 76 76 ARG CB C 76 32.455 32.455 28.517 3.938 19893 2217 1 5 . 1 1 76 76 ARG H H 76 10.063 10.063 8.014 2.049 19893 2218 1 5 . 1 1 77 77 ALA N N 77 127.287 127.287 122.340 4.947 19893 2219 1 5 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.446 -0.305 19893 2220 1 5 . 1 1 77 77 ALA C C 77 179.691 179.691 176.860 2.831 19893 2221 1 5 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.549 4.319 19893 2222 1 5 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.515 -1.013 19893 2223 1 5 . 1 1 77 77 ALA H H 77 9.710 9.710 7.653 2.057 19893 2224 1 5 . 1 1 78 78 VAL N N 78 118.326 118.326 118.050 0.276 19893 2225 1 5 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.107 -0.086 19893 2226 1 5 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.986 -0.505 19893 2227 1 5 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.476 0.123 19893 2228 1 5 . 1 1 78 78 VAL H H 78 7.954 7.954 8.149 -0.195 19893 2229 1 5 . 1 1 79 79 LYS N N 79 125.429 125.429 120.790 4.639 19893 2230 1 5 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.425 4.363 19893 2231 1 5 . 1 1 79 79 LYS H H 79 8.695 8.695 7.843 0.852 19893 2232 1 5 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.694 0.096 19893 2233 1 5 . 1 1 80 80 ASN C C 80 175.317 175.317 176.200 -0.883 19893 2234 1 5 . 1 1 80 80 ASN CA C 80 53.704 53.704 54.027 -0.323 19893 2235 1 5 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.345 -0.491 19893 2236 1 5 . 1 1 81 81 SER N N 81 113.408 113.408 122.619 -9.211 19893 2237 1 5 . 1 1 81 81 SER HA H 81 4.408 4.408 4.730 -0.322 19893 2238 1 5 . 1 1 81 81 SER CA C 81 59.296 59.296 57.713 1.583 19893 2239 1 5 . 1 1 81 81 SER CB C 81 64.171 64.171 64.344 -0.173 19893 2240 1 5 . 1 1 81 81 SER H H 81 7.715 7.715 9.780 -2.065 19893 2241 1 5 . 1 1 82 82 SER N N 82 117.894 117.894 117.918 -0.024 19893 2242 1 5 . 1 1 82 82 SER HA H 82 4.541 4.541 4.507 0.034 19893 2243 1 5 . 1 1 82 82 SER C C 82 174.196 174.196 173.120 1.076 19893 2244 1 5 . 1 1 82 82 SER CA C 82 58.767 58.767 58.485 0.282 19893 2245 1 5 . 1 1 82 82 SER CB C 82 64.382 64.382 62.077 2.305 19893 2246 1 5 . 1 1 82 82 SER H H 82 8.472 8.472 8.653 -0.181 19893 2247 1 5 . 1 1 83 83 VAL N N 83 122.430 122.430 123.375 -0.945 19893 2248 1 5 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.412 -0.011 19893 2249 1 5 . 1 1 83 83 VAL C C 83 174.614 174.614 173.763 0.851 19893 2250 1 5 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.909 1.623 19893 2251 1 5 . 1 1 83 83 VAL CB C 83 34.388 34.388 34.102 0.286 19893 2252 1 5 . 1 1 83 83 VAL H H 83 7.686 7.686 7.716 -0.030 19893 2253 1 5 . 1 1 84 84 GLN N N 84 123.141 123.141 127.658 -4.517 19893 2254 1 5 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.251 -0.464 19893 2255 1 5 . 1 1 84 84 GLN C C 84 174.077 174.077 175.331 -1.254 19893 2256 1 5 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.423 0.650 19893 2257 1 5 . 1 1 84 84 GLN CB C 84 32.723 32.723 31.517 1.206 19893 2258 1 5 . 1 1 84 84 GLN H H 84 8.287 8.287 8.873 -0.586 19893 2259 1 5 . 1 1 85 85 PHE N N 85 121.281 121.281 121.086 0.195 19893 2260 1 5 . 1 1 85 85 PHE HA H 85 5.288 5.288 4.974 0.314 19893 2261 1 5 . 1 1 85 85 PHE C C 85 175.063 175.063 175.197 -0.134 19893 2262 1 5 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.532 0.903 19893 2263 1 5 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.184 -1.976 19893 2264 1 5 . 1 1 85 85 PHE H H 85 9.241 9.241 9.620 -0.379 19893 2265 1 5 . 1 1 86 86 HIS N N 86 125.300 125.300 123.055 2.245 19893 2266 1 5 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.087 -0.340 19893 2267 1 5 . 1 1 86 86 HIS C C 86 172.315 172.315 172.956 -0.641 19893 2268 1 5 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.107 -2.754 19893 2269 1 5 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.643 -2.558 19893 2270 1 5 . 1 1 86 86 HIS H H 86 9.340 9.340 8.210 1.130 19893 2271 1 5 . 1 1 87 87 VAL N N 87 127.396 127.396 128.109 -0.713 19893 2272 1 5 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.093 -0.870 19893 2273 1 5 . 1 1 87 87 VAL C C 87 173.887 173.887 172.900 0.987 19893 2274 1 5 . 1 1 87 87 VAL CA C 87 61.138 61.138 57.950 3.188 19893 2275 1 5 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.544 -3.568 19893 2276 1 5 . 1 1 87 87 VAL H H 87 8.722 8.722 9.105 -0.383 19893 2277 1 5 . 1 1 88 88 ILE N N 88 127.814 127.814 128.253 -0.439 19893 2278 1 5 . 1 1 88 88 ILE HA H 88 3.785 3.785 3.963 -0.178 19893 2279 1 5 . 1 1 88 88 ILE C C 88 174.542 174.542 174.628 -0.086 19893 2280 1 5 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.574 0.846 19893 2281 1 5 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.226 2.842 19893 2282 1 5 . 1 1 88 88 ILE H H 88 8.605 8.605 8.433 0.172 19893 2283 1 5 . 1 1 89 89 PHE N N 89 125.156 125.156 128.401 -3.245 19893 2284 1 5 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.305 0.376 19893 2285 1 5 . 1 1 89 89 PHE C C 89 175.138 175.138 175.593 -0.455 19893 2286 1 5 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.339 -2.020 19893 2287 1 5 . 1 1 89 89 PHE CB C 89 39.410 39.410 38.167 1.243 19893 2288 1 5 . 1 1 89 89 PHE H H 89 7.872 7.872 8.772 -0.900 19893 2289 1 5 . 1 1 90 90 ASP N N 90 125.113 125.113 126.582 -1.469 19893 2290 1 5 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.905 -0.094 19893 2291 1 5 . 1 1 90 90 ASP C C 90 176.988 176.988 175.359 1.629 19893 2292 1 5 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.969 0.532 19893 2293 1 5 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.718 0.568 19893 2294 1 5 . 1 1 90 90 ASP H H 90 8.740 8.740 9.081 -0.341 19893 2295 1 5 . 1 1 91 91 GLU N N 91 124.589 124.589 127.925 -3.336 19893 2296 1 5 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.633 -0.259 19893 2297 1 5 . 1 1 91 91 GLU C C 91 175.801 175.801 174.374 1.427 19893 2298 1 5 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.456 3.015 19893 2299 1 5 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.061 1.131 19893 2300 1 5 . 1 1 91 91 GLU H H 91 9.028 9.028 8.187 0.841 19893 2301 1 6 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.553 -0.201 19893 2302 1 6 . 1 1 8 8 PRO C C 8 176.467 176.467 175.944 0.523 19893 2303 1 6 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.631 0.732 19893 2304 1 6 . 1 1 8 8 PRO CB C 8 32.389 32.389 29.831 2.558 19893 2305 1 6 . 1 1 9 9 ALA N N 9 124.419 124.419 122.723 1.696 19893 2306 1 6 . 1 1 9 9 ALA HA H 9 4.407 4.407 3.911 0.496 19893 2307 1 6 . 1 1 9 9 ALA C C 9 177.826 177.826 175.959 1.867 19893 2308 1 6 . 1 1 9 9 ALA CA C 9 52.552 52.552 52.906 -0.354 19893 2309 1 6 . 1 1 9 9 ALA CB C 9 19.854 19.854 18.711 1.143 19893 2310 1 6 . 1 1 9 9 ALA H H 9 8.301 8.301 8.158 0.143 19893 2311 1 6 . 1 1 10 10 VAL N N 10 120.778 120.778 120.058 0.720 19893 2312 1 6 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.198 -0.039 19893 2313 1 6 . 1 1 10 10 VAL C C 10 175.233 175.233 174.459 0.774 19893 2314 1 6 . 1 1 10 10 VAL CA C 10 62.133 62.133 62.228 -0.095 19893 2315 1 6 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.330 0.491 19893 2316 1 6 . 1 1 10 10 VAL H H 10 8.095 8.095 8.320 -0.225 19893 2317 1 6 . 1 1 11 11 ASP N N 11 125.133 125.133 128.079 -2.946 19893 2318 1 6 . 1 1 11 11 ASP HA H 11 5.032 5.032 4.945 0.087 19893 2319 1 6 . 1 1 11 11 ASP C C 11 176.892 176.892 175.220 1.672 19893 2320 1 6 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.074 1.519 19893 2321 1 6 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.289 0.373 19893 2322 1 6 . 1 1 11 11 ASP H H 11 8.285 8.285 8.580 -0.295 19893 2323 1 6 . 1 1 12 12 VAL N N 12 124.553 124.553 123.945 0.608 19893 2324 1 6 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.180 -0.055 19893 2325 1 6 . 1 1 12 12 VAL C C 12 175.226 175.226 174.189 1.037 19893 2326 1 6 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.567 2.055 19893 2327 1 6 . 1 1 12 12 VAL CB C 12 33.328 33.328 34.209 -0.881 19893 2328 1 6 . 1 1 12 12 VAL H H 12 8.615 8.615 8.168 0.447 19893 2329 1 6 . 1 1 13 13 GLU N N 13 130.776 130.776 126.029 4.747 19893 2330 1 6 . 1 1 13 13 GLU HA H 13 5.091 5.091 4.905 0.186 19893 2331 1 6 . 1 1 13 13 GLU C C 13 175.853 175.853 174.782 1.071 19893 2332 1 6 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.027 1.242 19893 2333 1 6 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.409 0.227 19893 2334 1 6 . 1 1 13 13 GLU H H 13 8.796 8.796 8.340 0.456 19893 2335 1 6 . 1 1 14 14 ILE N N 14 128.969 128.969 123.956 5.013 19893 2336 1 6 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.300 0.073 19893 2337 1 6 . 1 1 14 14 ILE C C 14 174.048 174.048 173.676 0.372 19893 2338 1 6 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.801 -1.022 19893 2339 1 6 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.440 0.546 19893 2340 1 6 . 1 1 14 14 ILE H H 14 8.602 8.602 9.147 -0.545 19893 2341 1 6 . 1 1 15 15 HIS N N 15 124.354 124.354 124.138 0.216 19893 2342 1 6 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.829 0.425 19893 2343 1 6 . 1 1 15 15 HIS C C 15 174.830 174.830 173.419 1.411 19893 2344 1 6 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.941 0.446 19893 2345 1 6 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.651 -1.147 19893 2346 1 6 . 1 1 15 15 HIS H H 15 8.926 8.926 8.805 0.121 19893 2347 1 6 . 1 1 16 16 PHE N N 16 117.887 117.887 126.024 -8.137 19893 2348 1 6 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.882 0.719 19893 2349 1 6 . 1 1 16 16 PHE CA C 16 51.560 51.560 54.042 -2.482 19893 2350 1 6 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.268 1.722 19893 2351 1 6 . 1 1 16 16 PHE H H 16 8.758 8.758 8.744 0.014 19893 2352 1 6 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.884 -0.125 19893 2353 1 6 . 1 1 17 17 PRO C C 17 178.833 178.833 176.481 2.352 19893 2354 1 6 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.990 1.068 19893 2355 1 6 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.938 -0.978 19893 2356 1 6 . 1 1 18 18 LEU N N 18 131.092 131.092 123.632 7.460 19893 2357 1 6 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.162 -0.416 19893 2358 1 6 . 1 1 18 18 LEU C C 18 177.657 177.657 176.968 0.689 19893 2359 1 6 . 1 1 18 18 LEU CA C 18 59.042 59.042 55.736 3.306 19893 2360 1 6 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.707 2.067 19893 2361 1 6 . 1 1 18 18 LEU H H 18 9.189 9.189 8.257 0.932 19893 2362 1 6 . 1 1 19 19 LYS N N 19 113.358 113.358 112.843 0.515 19893 2363 1 6 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.351 -0.436 19893 2364 1 6 . 1 1 19 19 LYS C C 19 179.580 179.580 176.907 2.673 19893 2365 1 6 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.487 2.988 19893 2366 1 6 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.100 -0.424 19893 2367 1 6 . 1 1 19 19 LYS H H 19 8.967 8.967 7.493 1.474 19893 2368 1 6 . 1 1 20 20 ARG N N 20 113.649 113.649 119.154 -5.505 19893 2369 1 6 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.551 -0.199 19893 2370 1 6 . 1 1 20 20 ARG C C 20 179.148 179.148 177.976 1.172 19893 2371 1 6 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.539 1.264 19893 2372 1 6 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.287 -1.157 19893 2373 1 6 . 1 1 20 20 ARG H H 20 7.118 7.118 8.114 -0.996 19893 2374 1 6 . 1 1 21 21 ILE N N 21 117.305 117.305 116.842 0.463 19893 2375 1 6 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.965 0.353 19893 2376 1 6 . 1 1 21 21 ILE C C 21 175.336 175.336 175.324 0.012 19893 2377 1 6 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.360 -1.768 19893 2378 1 6 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.657 2.360 19893 2379 1 6 . 1 1 21 21 ILE H H 21 7.752 7.752 8.089 -0.337 19893 2380 1 6 . 1 1 22 22 ALA N N 22 123.637 123.637 118.878 4.759 19893 2381 1 6 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.310 -0.223 19893 2382 1 6 . 1 1 22 22 ALA C C 22 177.701 177.701 176.602 1.099 19893 2383 1 6 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.372 2.018 19893 2384 1 6 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.526 0.522 19893 2385 1 6 . 1 1 22 22 ALA H H 22 7.759 7.759 7.810 -0.051 19893 2386 1 6 . 1 1 23 23 ALA N N 23 120.182 120.182 122.737 -2.555 19893 2387 1 6 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.377 -0.092 19893 2388 1 6 . 1 1 23 23 ALA C C 23 178.285 178.285 177.365 0.920 19893 2389 1 6 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.505 -0.599 19893 2390 1 6 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.573 -0.383 19893 2391 1 6 . 1 1 23 23 ALA H H 23 6.732 6.732 8.046 -1.314 19893 2392 1 6 . 1 1 24 24 GLU N N 24 119.837 119.837 116.259 3.578 19893 2393 1 6 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.422 -0.257 19893 2394 1 6 . 1 1 24 24 GLU C C 24 179.026 179.026 177.263 1.763 19893 2395 1 6 . 1 1 24 24 GLU CA C 24 59.482 59.482 55.821 3.661 19893 2396 1 6 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.448 -0.471 19893 2397 1 6 . 1 1 24 24 GLU H H 24 8.830 8.830 7.739 1.091 19893 2398 1 6 . 1 1 25 25 GLY N N 25 107.505 107.505 109.381 -1.876 19893 2399 1 6 . 1 1 25 25 GLY C C 25 176.338 176.338 175.397 0.941 19893 2400 1 6 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.373 -0.296 19893 2401 1 6 . 1 1 25 25 GLY H H 25 8.425 8.425 8.429 -0.004 19893 2402 1 6 . 1 1 26 26 TYR N N 26 119.505 119.505 122.326 -2.821 19893 2403 1 6 . 1 1 26 26 TYR HA H 26 4.256 4.256 4.012 0.244 19893 2404 1 6 . 1 1 26 26 TYR C C 26 176.005 176.005 177.803 -1.798 19893 2405 1 6 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.197 -0.483 19893 2406 1 6 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.024 -0.527 19893 2407 1 6 . 1 1 26 26 TYR H H 26 7.262 7.262 7.953 -0.691 19893 2408 1 6 . 1 1 27 27 ALA N N 27 122.574 122.574 119.396 3.178 19893 2409 1 6 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.986 -0.522 19893 2410 1 6 . 1 1 27 27 ALA C C 27 178.550 178.550 179.721 -1.171 19893 2411 1 6 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.944 -0.772 19893 2412 1 6 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.073 0.003 19893 2413 1 6 . 1 1 27 27 ALA H H 27 6.867 6.867 7.933 -1.066 19893 2414 1 6 . 1 1 28 28 GLU N N 28 114.244 114.244 118.998 -4.754 19893 2415 1 6 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.750 0.589 19893 2416 1 6 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.401 -4.149 19893 2417 1 6 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.414 1.031 19893 2418 1 6 . 1 1 28 28 GLU H H 28 7.285 7.285 8.148 -0.863 19893 2419 1 6 . 1 1 29 29 ASP N N 29 120.177 120.177 118.453 1.724 19893 2420 1 6 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.372 0.085 19893 2421 1 6 . 1 1 29 29 ASP C C 29 177.771 177.771 179.004 -1.233 19893 2422 1 6 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.297 -2.849 19893 2423 1 6 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.085 0.604 19893 2424 1 6 . 1 1 29 29 ASP H H 29 7.083 7.083 8.290 -1.207 19893 2425 1 6 . 1 1 30 30 GLU N N 30 129.724 129.724 119.179 10.545 19893 2426 1 6 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.277 -0.315 19893 2427 1 6 . 1 1 30 30 GLU C C 30 178.184 178.184 179.004 -0.820 19893 2428 1 6 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.822 0.534 19893 2429 1 6 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.274 0.007 19893 2430 1 6 . 1 1 30 30 GLU H H 30 9.081 9.081 7.779 1.302 19893 2431 1 6 . 1 1 31 31 LEU N N 31 120.990 120.990 121.393 -0.403 19893 2432 1 6 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.108 0.051 19893 2433 1 6 . 1 1 31 31 LEU C C 31 180.910 180.910 179.170 1.740 19893 2434 1 6 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.047 1.033 19893 2435 1 6 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.279 -0.597 19893 2436 1 6 . 1 1 31 31 LEU H H 31 8.323 8.323 7.900 0.423 19893 2437 1 6 . 1 1 32 32 LEU N N 32 116.856 116.856 118.971 -2.115 19893 2438 1 6 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.354 -0.402 19893 2439 1 6 . 1 1 32 32 LEU C C 32 179.086 179.086 179.386 -0.300 19893 2440 1 6 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.511 0.506 19893 2441 1 6 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.975 -0.024 19893 2442 1 6 . 1 1 32 32 LEU H H 32 7.225 7.225 8.575 -1.350 19893 2443 1 6 . 1 1 33 33 LEU N N 33 117.769 117.769 121.306 -3.537 19893 2444 1 6 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.870 0.052 19893 2445 1 6 . 1 1 33 33 LEU C C 33 181.207 181.207 178.282 2.925 19893 2446 1 6 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.287 0.523 19893 2447 1 6 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.541 0.570 19893 2448 1 6 . 1 1 33 33 LEU H H 33 6.943 6.943 7.922 -0.979 19893 2449 1 6 . 1 1 34 34 ASN N N 34 118.848 118.848 116.281 2.567 19893 2450 1 6 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.373 0.163 19893 2451 1 6 . 1 1 34 34 ASN C C 34 178.881 178.881 177.950 0.931 19893 2452 1 6 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.256 0.047 19893 2453 1 6 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.723 -0.143 19893 2454 1 6 . 1 1 34 34 ASN H H 34 8.320 8.320 8.040 0.280 19893 2455 1 6 . 1 1 35 35 GLN N N 35 118.808 118.808 118.430 0.378 19893 2456 1 6 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.256 0.091 19893 2457 1 6 . 1 1 35 35 GLN C C 35 177.483 177.483 178.427 -0.944 19893 2458 1 6 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.478 -1.203 19893 2459 1 6 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.714 1.164 19893 2460 1 6 . 1 1 35 35 GLN H H 35 8.053 8.053 8.665 -0.612 19893 2461 1 6 . 1 1 36 36 MET N N 36 116.334 116.334 120.966 -4.632 19893 2462 1 6 . 1 1 36 36 MET HA H 36 4.718 4.718 4.469 0.249 19893 2463 1 6 . 1 1 36 36 MET C C 36 177.424 177.424 178.561 -1.137 19893 2464 1 6 . 1 1 36 36 MET CA C 36 54.879 54.879 56.233 -1.355 19893 2465 1 6 . 1 1 36 36 MET CB C 36 31.263 31.263 31.902 -0.639 19893 2466 1 6 . 1 1 36 36 MET H H 36 7.596 7.596 7.649 -0.053 19893 2467 1 6 . 1 1 37 37 GLY N N 37 106.238 106.238 106.494 -0.256 19893 2468 1 6 . 1 1 37 37 GLY C C 37 175.666 175.666 175.172 0.494 19893 2469 1 6 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.343 1.230 19893 2470 1 6 . 1 1 37 37 GLY H H 37 7.827 7.827 8.203 -0.376 19893 2471 1 6 . 1 1 38 38 LYS N N 38 120.688 120.688 120.720 -0.032 19893 2472 1 6 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.100 0.313 19893 2473 1 6 . 1 1 38 38 LYS C C 38 176.395 176.395 179.267 -2.872 19893 2474 1 6 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.627 -2.295 19893 2475 1 6 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.464 -0.373 19893 2476 1 6 . 1 1 38 38 LYS H H 38 8.543 8.543 7.522 1.021 19893 2477 1 6 . 1 1 39 39 VAL N N 39 123.143 123.143 115.041 8.102 19893 2478 1 6 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.796 0.281 19893 2479 1 6 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.097 -2.268 19893 2480 1 6 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.888 1.822 19893 2481 1 6 . 1 1 39 39 VAL H H 39 7.711 7.711 8.190 -0.479 19893 2482 1 6 . 1 1 40 40 ASN N N 40 125.464 125.464 115.579 9.885 19893 2483 1 6 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.823 -0.040 19893 2484 1 6 . 1 1 40 40 ASN C C 40 174.870 174.870 175.347 -0.477 19893 2485 1 6 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.798 -0.304 19893 2486 1 6 . 1 1 40 40 ASN CB C 40 40.393 40.393 39.786 0.607 19893 2487 1 6 . 1 1 40 40 ASN H H 40 8.692 8.692 7.808 0.884 19893 2488 1 6 . 1 1 41 41 ASP N N 41 116.195 116.195 118.167 -1.972 19893 2489 1 6 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.504 0.629 19893 2490 1 6 . 1 1 41 41 ASP C C 41 177.048 177.048 176.659 0.389 19893 2491 1 6 . 1 1 41 41 ASP CA C 41 56.422 56.422 56.814 -0.392 19893 2492 1 6 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.428 3.925 19893 2493 1 6 . 1 1 41 41 ASP H H 41 8.403 8.403 8.892 -0.489 19893 2494 1 6 . 1 1 42 42 THR N N 42 111.139 111.139 112.962 -1.823 19893 2495 1 6 . 1 1 42 42 THR HA H 42 4.646 4.646 4.496 0.150 19893 2496 1 6 . 1 1 42 42 THR CA C 42 57.844 57.844 64.284 -6.440 19893 2497 1 6 . 1 1 42 42 THR CB C 42 70.269 70.269 68.401 1.868 19893 2498 1 6 . 1 1 42 42 THR H H 42 7.532 7.532 7.458 0.074 19893 2499 1 6 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.523 0.011 19893 2500 1 6 . 1 1 43 43 PRO C C 43 175.550 175.550 176.317 -0.767 19893 2501 1 6 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.384 0.740 19893 2502 1 6 . 1 1 43 43 PRO CB C 43 34.450 34.450 31.144 3.306 19893 2503 1 6 . 1 1 44 44 GLU N N 44 121.809 121.809 123.618 -1.809 19893 2504 1 6 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.310 -0.172 19893 2505 1 6 . 1 1 44 44 GLU C C 44 176.266 176.266 175.857 0.409 19893 2506 1 6 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.004 2.579 19893 2507 1 6 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.483 0.395 19893 2508 1 6 . 1 1 44 44 GLU H H 44 8.515 8.515 8.308 0.207 19893 2509 1 6 . 1 1 45 45 GLU N N 45 122.167 122.167 119.693 2.474 19893 2510 1 6 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.500 -0.148 19893 2511 1 6 . 1 1 45 45 GLU C C 45 175.468 175.468 176.795 -1.327 19893 2512 1 6 . 1 1 45 45 GLU CA C 45 54.805 54.805 57.074 -2.269 19893 2513 1 6 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.127 2.298 19893 2514 1 6 . 1 1 45 45 GLU H H 45 8.406 8.406 8.685 -0.279 19893 2515 1 6 . 1 1 46 46 GLU N N 46 123.100 123.100 118.818 4.282 19893 2516 1 6 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.491 -0.743 19893 2517 1 6 . 1 1 46 46 GLU C C 46 177.108 177.108 176.045 1.063 19893 2518 1 6 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.328 1.458 19893 2519 1 6 . 1 1 46 46 GLU CB C 46 28.617 28.617 31.244 -2.627 19893 2520 1 6 . 1 1 46 46 GLU H H 46 8.729 8.729 8.166 0.563 19893 2521 1 6 . 1 1 47 47 GLY N N 47 102.684 102.684 108.781 -6.097 19893 2522 1 6 . 1 1 47 47 GLY C C 47 174.278 174.278 173.758 0.520 19893 2523 1 6 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.334 0.638 19893 2524 1 6 . 1 1 47 47 GLY H H 47 8.513 8.513 9.018 -0.505 19893 2525 1 6 . 1 1 48 48 MET N N 48 120.460 120.460 119.803 0.657 19893 2526 1 6 . 1 1 48 48 MET HA H 48 5.004 5.004 4.977 0.027 19893 2527 1 6 . 1 1 48 48 MET CA C 48 53.307 53.307 52.552 0.755 19893 2528 1 6 . 1 1 48 48 MET CB C 48 35.537 35.537 35.109 0.427 19893 2529 1 6 . 1 1 48 48 MET H H 48 8.056 8.056 7.728 0.328 19893 2530 1 6 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.045 0.106 19893 2531 1 6 . 1 1 50 50 LEU C C 50 179.381 179.381 178.769 0.612 19893 2532 1 6 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.298 1.586 19893 2533 1 6 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.752 0.043 19893 2534 1 6 . 1 1 51 51 ARG N N 51 113.058 113.058 119.433 -6.375 19893 2535 1 6 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.834 -0.008 19893 2536 1 6 . 1 1 51 51 ARG C C 51 178.376 178.376 177.692 0.684 19893 2537 1 6 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.107 2.366 19893 2538 1 6 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.600 2.495 19893 2539 1 6 . 1 1 51 51 ARG H H 51 8.076 8.076 8.446 -0.370 19893 2540 1 6 . 1 1 52 52 ALA N N 52 118.144 118.144 123.056 -4.912 19893 2541 1 6 . 1 1 52 52 ALA HA H 52 4.090 4.090 3.943 0.147 19893 2542 1 6 . 1 1 52 52 ALA C C 52 180.673 180.673 179.552 1.121 19893 2543 1 6 . 1 1 52 52 ALA CA C 52 54.971 54.971 55.006 -0.035 19893 2544 1 6 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.625 0.293 19893 2545 1 6 . 1 1 52 52 ALA H H 52 7.095 7.095 8.351 -1.256 19893 2546 1 6 . 1 1 53 53 TRP N N 53 121.809 121.809 115.958 5.851 19893 2547 1 6 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.555 -0.246 19893 2548 1 6 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.005 4.927 19893 2549 1 6 . 1 1 53 53 TRP CB C 53 28.512 28.512 29.017 -0.505 19893 2550 1 6 . 1 1 53 53 TRP H H 53 8.608 8.608 7.763 0.845 19893 2551 1 6 . 1 1 54 54 VAL N N 54 120.508 120.508 122.598 -2.090 19893 2552 1 6 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.974 -0.130 19893 2553 1 6 . 1 1 54 54 VAL C C 54 177.917 177.917 178.257 -0.340 19893 2554 1 6 . 1 1 54 54 VAL CA C 54 67.434 67.434 65.897 1.537 19893 2555 1 6 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.345 1.172 19893 2556 1 6 . 1 1 54 54 VAL H H 54 8.352 8.352 7.353 0.999 19893 2557 1 6 . 1 1 55 55 ILE N N 55 118.131 118.131 119.900 -1.769 19893 2558 1 6 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.203 0.124 19893 2559 1 6 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.504 1.286 19893 2560 1 6 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.121 2.148 19893 2561 1 6 . 1 1 55 55 ILE H H 55 7.574 7.574 8.101 -0.527 19893 2562 1 6 . 1 1 56 56 LYS N N 56 120.517 120.517 121.714 -1.197 19893 2563 1 6 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.066 -0.013 19893 2564 1 6 . 1 1 56 56 LYS C C 56 179.574 179.574 178.708 0.866 19893 2565 1 6 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.480 1.095 19893 2566 1 6 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.782 1.349 19893 2567 1 6 . 1 1 56 56 LYS H H 56 8.354 8.354 8.066 0.288 19893 2568 1 6 . 1 1 57 57 CYS N N 57 116.239 116.239 116.940 -0.701 19893 2569 1 6 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.280 -0.366 19893 2570 1 6 . 1 1 57 57 CYS C C 57 178.985 178.985 176.561 2.424 19893 2571 1 6 . 1 1 57 57 CYS CA C 57 63.432 63.432 60.929 2.502 19893 2572 1 6 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.238 1.351 19893 2573 1 6 . 1 1 57 57 CYS H H 57 8.501 8.501 8.231 0.270 19893 2574 1 6 . 1 1 58 58 ALA N N 58 123.819 123.819 123.358 0.461 19893 2575 1 6 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.104 -0.069 19893 2576 1 6 . 1 1 58 58 ALA C C 58 177.753 177.753 178.845 -1.092 19893 2577 1 6 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.421 0.656 19893 2578 1 6 . 1 1 58 58 ALA CB C 58 18.229 18.229 17.939 0.289 19893 2579 1 6 . 1 1 58 58 ALA H H 58 8.605 8.605 8.592 0.013 19893 2580 1 6 . 1 1 59 59 HIS N N 59 115.595 115.595 118.088 -2.493 19893 2581 1 6 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.043 -0.528 19893 2582 1 6 . 1 1 59 59 HIS C C 59 177.271 177.271 177.499 -0.228 19893 2583 1 6 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.920 0.780 19893 2584 1 6 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.887 -2.096 19893 2585 1 6 . 1 1 59 59 HIS H H 59 8.132 8.132 8.669 -0.537 19893 2586 1 6 . 1 1 60 60 GLU N N 60 117.847 117.847 118.423 -0.576 19893 2587 1 6 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.677 0.097 19893 2588 1 6 . 1 1 60 60 GLU C C 60 179.157 179.157 177.634 1.523 19893 2589 1 6 . 1 1 60 60 GLU CA C 60 59.774 59.774 57.766 2.008 19893 2590 1 6 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.336 0.561 19893 2591 1 6 . 1 1 60 60 GLU H H 60 8.623 8.623 7.738 0.885 19893 2592 1 6 . 1 1 61 61 ALA N N 61 122.193 122.193 120.979 1.214 19893 2593 1 6 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.331 -0.268 19893 2594 1 6 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.342 0.992 19893 2595 1 6 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.362 -1.003 19893 2596 1 6 . 1 1 61 61 ALA H H 61 7.891 7.891 7.620 0.271 19893 2597 1 6 . 1 1 62 62 LEU N N 62 120.135 120.135 120.586 -0.451 19893 2598 1 6 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.140 -0.179 19893 2599 1 6 . 1 1 62 62 LEU C C 62 178.813 178.813 178.163 0.650 19893 2600 1 6 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.020 0.499 19893 2601 1 6 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.548 1.136 19893 2602 1 6 . 1 1 62 62 LEU H H 62 7.080 7.080 7.760 -0.680 19893 2603 1 6 . 1 1 63 63 GLU N N 63 118.288 118.288 118.827 -0.539 19893 2604 1 6 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.962 -0.256 19893 2605 1 6 . 1 1 63 63 GLU C C 63 179.261 179.261 177.666 1.595 19893 2606 1 6 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.496 0.700 19893 2607 1 6 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.273 0.792 19893 2608 1 6 . 1 1 63 63 GLU H H 63 7.594 7.594 7.906 -0.312 19893 2609 1 6 . 1 1 64 64 LYS N N 64 116.167 116.167 119.907 -3.740 19893 2610 1 6 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.091 -0.014 19893 2611 1 6 . 1 1 64 64 LYS C C 64 177.763 177.763 176.823 0.940 19893 2612 1 6 . 1 1 64 64 LYS H H 64 7.342 7.342 7.727 -0.385 19893 2613 1 6 . 1 1 65 65 ASN N N 65 113.899 113.899 115.896 -1.997 19893 2614 1 6 . 1 1 65 65 ASN HA H 65 4.955 4.955 5.036 -0.081 19893 2615 1 6 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.432 0.421 19893 2616 1 6 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.455 -0.991 19893 2617 1 6 . 1 1 65 65 ASN H H 65 7.480 7.480 7.923 -0.443 19893 2618 1 6 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.676 -0.081 19893 2619 1 6 . 1 1 66 66 PRO C C 66 177.769 177.769 175.462 2.307 19893 2620 1 6 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.331 2.146 19893 2621 1 6 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.582 2.258 19893 2622 1 6 . 1 1 67 67 LYS N N 67 115.189 115.189 121.898 -6.709 19893 2623 1 6 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.471 -0.207 19893 2624 1 6 . 1 1 67 67 LYS C C 67 178.271 178.271 174.194 4.077 19893 2625 1 6 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.320 0.586 19893 2626 1 6 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.143 -3.012 19893 2627 1 6 . 1 1 67 67 LYS H H 67 7.611 7.611 7.653 -0.042 19893 2628 1 6 . 1 1 68 68 ILE N N 68 118.905 118.905 123.328 -4.423 19893 2629 1 6 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.397 -1.227 19893 2630 1 6 . 1 1 68 68 ILE C C 68 177.006 177.006 174.877 2.129 19893 2631 1 6 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.758 3.615 19893 2632 1 6 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.053 0.863 19893 2633 1 6 . 1 1 68 68 ILE H H 68 7.662 7.662 8.482 -0.820 19893 2634 1 6 . 1 1 69 69 ARG N N 69 119.690 119.690 128.697 -9.007 19893 2635 1 6 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.702 0.254 19893 2636 1 6 . 1 1 69 69 ARG C C 69 175.294 175.294 173.884 1.410 19893 2637 1 6 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.472 0.021 19893 2638 1 6 . 1 1 69 69 ARG CB C 69 31.487 31.487 35.156 -3.668 19893 2639 1 6 . 1 1 69 69 ARG H H 69 9.018 9.018 9.109 -0.091 19893 2640 1 6 . 1 1 70 70 GLU N N 70 116.461 116.461 121.786 -5.325 19893 2641 1 6 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.872 0.089 19893 2642 1 6 . 1 1 70 70 GLU C C 70 174.398 174.398 175.050 -0.652 19893 2643 1 6 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.930 -0.393 19893 2644 1 6 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.344 0.506 19893 2645 1 6 . 1 1 70 70 GLU H H 70 7.565 7.565 8.533 -0.968 19893 2646 1 6 . 1 1 71 71 VAL N N 71 116.838 116.838 119.959 -3.121 19893 2647 1 6 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.234 0.227 19893 2648 1 6 . 1 1 71 71 VAL CA C 71 61.024 61.024 59.925 1.099 19893 2649 1 6 . 1 1 71 71 VAL CB C 71 35.777 35.777 35.726 0.051 19893 2650 1 6 . 1 1 71 71 VAL H H 71 8.946 8.946 8.657 0.289 19893 2651 1 6 . 1 1 72 72 TYR N N 72 125.566 125.566 121.439 4.127 19893 2652 1 6 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.772 0.661 19893 2653 1 6 . 1 1 72 72 TYR C C 72 176.183 176.183 175.528 0.655 19893 2654 1 6 . 1 1 72 72 TYR CA C 72 57.950 57.950 57.129 0.821 19893 2655 1 6 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.460 0.753 19893 2656 1 6 . 1 1 72 72 TYR H H 72 8.689 8.689 8.550 0.139 19893 2657 1 6 . 1 1 73 73 LEU N N 73 122.757 122.757 125.118 -2.361 19893 2658 1 6 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.824 0.196 19893 2659 1 6 . 1 1 73 73 LEU C C 73 176.134 176.134 175.528 0.606 19893 2660 1 6 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.112 -0.404 19893 2661 1 6 . 1 1 73 73 LEU CB C 73 46.349 46.349 44.023 2.326 19893 2662 1 6 . 1 1 73 73 LEU H H 73 9.202 9.202 8.749 0.453 19893 2663 1 6 . 1 1 74 74 LYS N N 74 124.941 124.941 125.454 -0.513 19893 2664 1 6 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.004 0.332 19893 2665 1 6 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.526 0.947 19893 2666 1 6 . 1 1 74 74 LYS CB C 74 34.986 34.986 33.812 1.174 19893 2667 1 6 . 1 1 74 74 LYS H H 74 9.205 9.205 8.722 0.483 19893 2668 1 6 . 1 1 75 75 PRO HA H 75 3.959 3.959 3.001 0.958 19893 2669 1 6 . 1 1 75 75 PRO C C 75 176.549 176.549 176.999 -0.450 19893 2670 1 6 . 1 1 75 75 PRO CA C 75 63.450 63.450 63.279 0.171 19893 2671 1 6 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.961 0.657 19893 2672 1 6 . 1 1 76 76 ARG N N 76 122.429 122.429 122.616 -0.187 19893 2673 1 6 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.089 0.319 19893 2674 1 6 . 1 1 76 76 ARG C C 76 178.244 178.244 174.447 3.797 19893 2675 1 6 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.213 1.610 19893 2676 1 6 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.941 4.514 19893 2677 1 6 . 1 1 76 76 ARG H H 76 10.063 10.063 7.614 2.449 19893 2678 1 6 . 1 1 77 77 ALA N N 77 127.287 127.287 122.618 4.669 19893 2679 1 6 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.469 -0.328 19893 2680 1 6 . 1 1 77 77 ALA C C 77 179.691 179.691 176.508 3.183 19893 2681 1 6 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.731 4.137 19893 2682 1 6 . 1 1 77 77 ALA CB C 77 19.502 19.502 21.107 -1.605 19893 2683 1 6 . 1 1 77 77 ALA H H 77 9.710 9.710 7.804 1.906 19893 2684 1 6 . 1 1 78 78 VAL N N 78 118.326 118.326 117.454 0.872 19893 2685 1 6 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.138 -0.117 19893 2686 1 6 . 1 1 78 78 VAL CA C 78 63.481 63.481 64.472 -0.991 19893 2687 1 6 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.668 -0.069 19893 2688 1 6 . 1 1 78 78 VAL H H 78 7.954 7.954 8.337 -0.383 19893 2689 1 6 . 1 1 79 79 LYS N N 79 125.429 125.429 120.884 4.545 19893 2690 1 6 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.359 4.428 19893 2691 1 6 . 1 1 79 79 LYS H H 79 8.695 8.695 8.015 0.680 19893 2692 1 6 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.718 0.072 19893 2693 1 6 . 1 1 80 80 ASN C C 80 175.317 175.317 175.147 0.170 19893 2694 1 6 . 1 1 80 80 ASN CA C 80 53.704 53.704 54.059 -0.354 19893 2695 1 6 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.573 -0.719 19893 2696 1 6 . 1 1 81 81 SER N N 81 113.408 113.408 120.049 -6.641 19893 2697 1 6 . 1 1 81 81 SER HA H 81 4.408 4.408 4.567 -0.159 19893 2698 1 6 . 1 1 81 81 SER CA C 81 59.296 59.296 57.429 1.867 19893 2699 1 6 . 1 1 81 81 SER CB C 81 64.171 64.171 62.732 1.439 19893 2700 1 6 . 1 1 81 81 SER H H 81 7.715 7.715 8.400 -0.685 19893 2701 1 6 . 1 1 82 82 SER N N 82 117.894 117.894 115.467 2.427 19893 2702 1 6 . 1 1 82 82 SER HA H 82 4.541 4.541 4.129 0.412 19893 2703 1 6 . 1 1 82 82 SER C C 82 174.196 174.196 172.281 1.915 19893 2704 1 6 . 1 1 82 82 SER CA C 82 58.767 58.767 59.366 -0.599 19893 2705 1 6 . 1 1 82 82 SER CB C 82 64.382 64.382 61.429 2.953 19893 2706 1 6 . 1 1 82 82 SER H H 82 8.472 8.472 8.382 0.090 19893 2707 1 6 . 1 1 83 83 VAL N N 83 122.430 122.430 120.682 1.748 19893 2708 1 6 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.753 -0.352 19893 2709 1 6 . 1 1 83 83 VAL C C 83 174.614 174.614 174.297 0.317 19893 2710 1 6 . 1 1 83 83 VAL CA C 83 62.532 62.532 59.966 2.566 19893 2711 1 6 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.706 0.682 19893 2712 1 6 . 1 1 83 83 VAL H H 83 7.686 7.686 7.816 -0.130 19893 2713 1 6 . 1 1 84 84 GLN N N 84 123.141 123.141 126.952 -3.811 19893 2714 1 6 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.146 -0.359 19893 2715 1 6 . 1 1 84 84 GLN C C 84 174.077 174.077 175.098 -1.021 19893 2716 1 6 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.321 0.752 19893 2717 1 6 . 1 1 84 84 GLN CB C 84 32.723 32.723 33.094 -0.371 19893 2718 1 6 . 1 1 84 84 GLN H H 84 8.287 8.287 9.220 -0.933 19893 2719 1 6 . 1 1 85 85 PHE N N 85 121.281 121.281 118.494 2.787 19893 2720 1 6 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.002 0.286 19893 2721 1 6 . 1 1 85 85 PHE C C 85 175.063 175.063 175.224 -0.161 19893 2722 1 6 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.982 0.453 19893 2723 1 6 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.866 -2.658 19893 2724 1 6 . 1 1 85 85 PHE H H 85 9.241 9.241 9.311 -0.070 19893 2725 1 6 . 1 1 86 86 HIS N N 86 125.300 125.300 122.304 2.996 19893 2726 1 6 . 1 1 86 86 HIS HA H 86 4.747 4.747 4.873 -0.126 19893 2727 1 6 . 1 1 86 86 HIS C C 86 172.315 172.315 173.109 -0.794 19893 2728 1 6 . 1 1 86 86 HIS CA C 86 52.353 52.353 54.552 -2.199 19893 2729 1 6 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.315 -2.230 19893 2730 1 6 . 1 1 86 86 HIS H H 86 9.340 9.340 8.757 0.583 19893 2731 1 6 . 1 1 87 87 VAL N N 87 127.396 127.396 128.036 -0.640 19893 2732 1 6 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.460 -1.237 19893 2733 1 6 . 1 1 87 87 VAL C C 87 173.887 173.887 173.488 0.399 19893 2734 1 6 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.450 2.688 19893 2735 1 6 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.873 -3.897 19893 2736 1 6 . 1 1 87 87 VAL H H 87 8.722 8.722 9.160 -0.438 19893 2737 1 6 . 1 1 88 88 ILE N N 88 127.814 127.814 129.572 -1.758 19893 2738 1 6 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.358 -0.573 19893 2739 1 6 . 1 1 88 88 ILE C C 88 174.542 174.542 175.454 -0.912 19893 2740 1 6 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.576 0.844 19893 2741 1 6 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.473 2.595 19893 2742 1 6 . 1 1 88 88 ILE H H 88 8.605 8.605 8.719 -0.114 19893 2743 1 6 . 1 1 89 89 PHE N N 89 125.156 125.156 128.607 -3.451 19893 2744 1 6 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.103 0.578 19893 2745 1 6 . 1 1 89 89 PHE C C 89 175.138 175.138 175.587 -0.449 19893 2746 1 6 . 1 1 89 89 PHE CA C 89 53.319 53.319 54.868 -1.549 19893 2747 1 6 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.595 1.815 19893 2748 1 6 . 1 1 89 89 PHE H H 89 7.872 7.872 9.141 -1.269 19893 2749 1 6 . 1 1 90 90 ASP N N 90 125.113 125.113 125.184 -0.071 19893 2750 1 6 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.889 -0.078 19893 2751 1 6 . 1 1 90 90 ASP C C 90 176.988 176.988 175.120 1.868 19893 2752 1 6 . 1 1 90 90 ASP CA C 90 54.501 54.501 54.163 0.338 19893 2753 1 6 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.339 0.947 19893 2754 1 6 . 1 1 90 90 ASP H H 90 8.740 8.740 8.583 0.157 19893 2755 1 6 . 1 1 91 91 GLU N N 91 124.589 124.589 127.600 -3.011 19893 2756 1 6 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.566 -0.192 19893 2757 1 6 . 1 1 91 91 GLU C C 91 175.801 175.801 174.921 0.880 19893 2758 1 6 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.251 3.220 19893 2759 1 6 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.250 0.942 19893 2760 1 6 . 1 1 91 91 GLU H H 91 9.028 9.028 8.113 0.915 19893 2761 1 7 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.463 -0.111 19893 2762 1 7 . 1 1 8 8 PRO C C 8 176.467 176.467 176.168 0.299 19893 2763 1 7 . 1 1 8 8 PRO CA C 8 63.363 63.363 63.793 -0.430 19893 2764 1 7 . 1 1 8 8 PRO CB C 8 32.389 32.389 32.361 0.028 19893 2765 1 7 . 1 1 9 9 ALA N N 9 124.419 124.419 118.305 6.114 19893 2766 1 7 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.411 -0.004 19893 2767 1 7 . 1 1 9 9 ALA C C 9 177.826 177.826 176.977 0.849 19893 2768 1 7 . 1 1 9 9 ALA CA C 9 52.552 52.552 52.222 0.330 19893 2769 1 7 . 1 1 9 9 ALA CB C 9 19.854 19.854 20.537 -0.683 19893 2770 1 7 . 1 1 9 9 ALA H H 9 8.301 8.301 7.922 0.379 19893 2771 1 7 . 1 1 10 10 VAL N N 10 120.778 120.778 120.280 0.498 19893 2772 1 7 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.221 -0.062 19893 2773 1 7 . 1 1 10 10 VAL C C 10 175.233 175.233 174.083 1.150 19893 2774 1 7 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.925 0.207 19893 2775 1 7 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.841 -0.021 19893 2776 1 7 . 1 1 10 10 VAL H H 10 8.095 8.095 7.821 0.274 19893 2777 1 7 . 1 1 11 11 ASP N N 11 125.133 125.133 127.077 -1.944 19893 2778 1 7 . 1 1 11 11 ASP HA H 11 5.032 5.032 4.928 0.104 19893 2779 1 7 . 1 1 11 11 ASP C C 11 176.892 176.892 174.851 2.041 19893 2780 1 7 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.411 1.182 19893 2781 1 7 . 1 1 11 11 ASP CB C 11 42.662 42.662 43.007 -0.345 19893 2782 1 7 . 1 1 11 11 ASP H H 11 8.285 8.285 8.505 -0.220 19893 2783 1 7 . 1 1 12 12 VAL N N 12 124.553 124.553 124.986 -0.433 19893 2784 1 7 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.288 -0.163 19893 2785 1 7 . 1 1 12 12 VAL C C 12 175.226 175.226 174.368 0.858 19893 2786 1 7 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.216 2.406 19893 2787 1 7 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.285 -1.957 19893 2788 1 7 . 1 1 12 12 VAL H H 12 8.615 8.615 7.823 0.792 19893 2789 1 7 . 1 1 13 13 GLU N N 13 130.776 130.776 123.748 7.028 19893 2790 1 7 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.124 -0.033 19893 2791 1 7 . 1 1 13 13 GLU C C 13 175.853 175.853 175.187 0.666 19893 2792 1 7 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.258 1.011 19893 2793 1 7 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.532 0.104 19893 2794 1 7 . 1 1 13 13 GLU H H 13 8.796 8.796 8.442 0.354 19893 2795 1 7 . 1 1 14 14 ILE N N 14 128.969 128.969 124.682 4.287 19893 2796 1 7 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.571 -0.198 19893 2797 1 7 . 1 1 14 14 ILE C C 14 174.048 174.048 173.867 0.181 19893 2798 1 7 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.484 -0.705 19893 2799 1 7 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.348 0.638 19893 2800 1 7 . 1 1 14 14 ILE H H 14 8.602 8.602 9.089 -0.487 19893 2801 1 7 . 1 1 15 15 HIS N N 15 124.354 124.354 125.060 -0.706 19893 2802 1 7 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.759 0.495 19893 2803 1 7 . 1 1 15 15 HIS C C 15 174.830 174.830 173.501 1.329 19893 2804 1 7 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.481 0.906 19893 2805 1 7 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.770 -1.266 19893 2806 1 7 . 1 1 15 15 HIS H H 15 8.926 8.926 9.416 -0.490 19893 2807 1 7 . 1 1 16 16 PHE N N 16 117.887 117.887 125.916 -8.029 19893 2808 1 7 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.938 0.663 19893 2809 1 7 . 1 1 16 16 PHE CA C 16 51.560 51.560 54.175 -2.615 19893 2810 1 7 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.672 1.317 19893 2811 1 7 . 1 1 16 16 PHE H H 16 8.758 8.758 8.671 0.087 19893 2812 1 7 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.863 -0.104 19893 2813 1 7 . 1 1 17 17 PRO C C 17 178.833 178.833 176.269 2.564 19893 2814 1 7 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.773 1.286 19893 2815 1 7 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.066 -1.106 19893 2816 1 7 . 1 1 18 18 LEU N N 18 131.092 131.092 123.958 7.134 19893 2817 1 7 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.331 -0.585 19893 2818 1 7 . 1 1 18 18 LEU C C 18 177.657 177.657 176.141 1.516 19893 2819 1 7 . 1 1 18 18 LEU CA C 18 59.042 59.042 54.622 4.420 19893 2820 1 7 . 1 1 18 18 LEU CB C 18 43.774 43.774 39.757 4.017 19893 2821 1 7 . 1 1 18 18 LEU H H 18 9.189 9.189 8.288 0.901 19893 2822 1 7 . 1 1 19 19 LYS N N 19 113.358 113.358 118.092 -4.734 19893 2823 1 7 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.421 -0.506 19893 2824 1 7 . 1 1 19 19 LYS C C 19 179.580 179.580 176.942 2.638 19893 2825 1 7 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.838 2.637 19893 2826 1 7 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.956 -1.280 19893 2827 1 7 . 1 1 19 19 LYS H H 19 8.967 8.967 8.413 0.554 19893 2828 1 7 . 1 1 20 20 ARG N N 20 113.649 113.649 118.740 -5.091 19893 2829 1 7 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.461 -0.109 19893 2830 1 7 . 1 1 20 20 ARG C C 20 179.148 179.148 178.451 0.697 19893 2831 1 7 . 1 1 20 20 ARG CA C 20 57.803 57.803 57.114 0.689 19893 2832 1 7 . 1 1 20 20 ARG CB C 20 31.130 31.130 31.672 -0.542 19893 2833 1 7 . 1 1 20 20 ARG H H 20 7.118 7.118 7.778 -0.660 19893 2834 1 7 . 1 1 21 21 ILE N N 21 117.305 117.305 115.423 1.882 19893 2835 1 7 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.013 0.305 19893 2836 1 7 . 1 1 21 21 ILE C C 21 175.336 175.336 175.265 0.071 19893 2837 1 7 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.343 -1.751 19893 2838 1 7 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.741 2.276 19893 2839 1 7 . 1 1 21 21 ILE H H 21 7.752 7.752 7.532 0.220 19893 2840 1 7 . 1 1 22 22 ALA N N 22 123.637 123.637 119.313 4.324 19893 2841 1 7 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.312 -0.225 19893 2842 1 7 . 1 1 22 22 ALA C C 22 177.701 177.701 176.322 1.379 19893 2843 1 7 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.481 1.909 19893 2844 1 7 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.474 0.574 19893 2845 1 7 . 1 1 22 22 ALA H H 22 7.759 7.759 7.737 0.022 19893 2846 1 7 . 1 1 23 23 ALA N N 23 120.182 120.182 122.807 -2.625 19893 2847 1 7 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.355 -0.070 19893 2848 1 7 . 1 1 23 23 ALA C C 23 178.285 178.285 176.821 1.464 19893 2849 1 7 . 1 1 23 23 ALA CA C 23 52.906 52.906 52.935 -0.029 19893 2850 1 7 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.475 -0.285 19893 2851 1 7 . 1 1 23 23 ALA H H 23 6.732 6.732 7.816 -1.084 19893 2852 1 7 . 1 1 24 24 GLU N N 24 119.837 119.837 117.992 1.845 19893 2853 1 7 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.548 -0.383 19893 2854 1 7 . 1 1 24 24 GLU C C 24 179.026 179.026 177.305 1.721 19893 2855 1 7 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.064 3.418 19893 2856 1 7 . 1 1 24 24 GLU CB C 24 29.977 29.977 31.267 -1.290 19893 2857 1 7 . 1 1 24 24 GLU H H 24 8.830 8.830 8.300 0.530 19893 2858 1 7 . 1 1 25 25 GLY N N 25 107.505 107.505 108.408 -0.903 19893 2859 1 7 . 1 1 25 25 GLY C C 25 176.338 176.338 175.717 0.621 19893 2860 1 7 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.343 -0.266 19893 2861 1 7 . 1 1 25 25 GLY H H 25 8.425 8.425 8.783 -0.358 19893 2862 1 7 . 1 1 26 26 TYR N N 26 119.505 119.505 122.469 -2.964 19893 2863 1 7 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.993 0.263 19893 2864 1 7 . 1 1 26 26 TYR C C 26 176.005 176.005 177.180 -1.175 19893 2865 1 7 . 1 1 26 26 TYR CA C 26 60.714 60.714 62.125 -1.411 19893 2866 1 7 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.160 -0.663 19893 2867 1 7 . 1 1 26 26 TYR H H 26 7.262 7.262 8.123 -0.861 19893 2868 1 7 . 1 1 27 27 ALA N N 27 122.574 122.574 119.148 3.426 19893 2869 1 7 . 1 1 27 27 ALA HA H 27 3.464 3.464 4.006 -0.542 19893 2870 1 7 . 1 1 27 27 ALA C C 27 178.550 178.550 179.588 -1.038 19893 2871 1 7 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.983 -0.811 19893 2872 1 7 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.047 0.028 19893 2873 1 7 . 1 1 27 27 ALA H H 27 6.867 6.867 8.125 -1.258 19893 2874 1 7 . 1 1 28 28 GLU N N 28 114.244 114.244 119.003 -4.759 19893 2875 1 7 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.878 0.461 19893 2876 1 7 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.288 -4.036 19893 2877 1 7 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.413 1.032 19893 2878 1 7 . 1 1 28 28 GLU H H 28 7.285 7.285 8.172 -0.887 19893 2879 1 7 . 1 1 29 29 ASP N N 29 120.177 120.177 118.129 2.048 19893 2880 1 7 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.342 0.115 19893 2881 1 7 . 1 1 29 29 ASP C C 29 177.771 177.771 179.053 -1.282 19893 2882 1 7 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.374 -2.926 19893 2883 1 7 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.059 0.630 19893 2884 1 7 . 1 1 29 29 ASP H H 29 7.083 7.083 8.249 -1.166 19893 2885 1 7 . 1 1 30 30 GLU N N 30 129.724 129.724 119.085 10.639 19893 2886 1 7 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.277 -0.315 19893 2887 1 7 . 1 1 30 30 GLU C C 30 178.184 178.184 179.100 -0.916 19893 2888 1 7 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.777 0.579 19893 2889 1 7 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.293 -0.012 19893 2890 1 7 . 1 1 30 30 GLU H H 30 9.081 9.081 7.748 1.333 19893 2891 1 7 . 1 1 31 31 LEU N N 31 120.990 120.990 121.259 -0.269 19893 2892 1 7 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.125 0.034 19893 2893 1 7 . 1 1 31 31 LEU C C 31 180.910 180.910 179.419 1.491 19893 2894 1 7 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.039 1.040 19893 2895 1 7 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.299 -0.617 19893 2896 1 7 . 1 1 31 31 LEU H H 31 8.323 8.323 7.967 0.356 19893 2897 1 7 . 1 1 32 32 LEU N N 32 116.856 116.856 119.537 -2.681 19893 2898 1 7 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.381 -0.429 19893 2899 1 7 . 1 1 32 32 LEU C C 32 179.086 179.086 179.302 -0.216 19893 2900 1 7 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.608 0.410 19893 2901 1 7 . 1 1 32 32 LEU CB C 32 40.951 40.951 41.093 -0.142 19893 2902 1 7 . 1 1 32 32 LEU H H 32 7.225 7.225 8.605 -1.380 19893 2903 1 7 . 1 1 33 33 LEU N N 33 117.769 117.769 121.699 -3.930 19893 2904 1 7 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.932 -0.010 19893 2905 1 7 . 1 1 33 33 LEU C C 33 181.207 181.207 177.993 3.214 19893 2906 1 7 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.262 0.548 19893 2907 1 7 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.643 0.469 19893 2908 1 7 . 1 1 33 33 LEU H H 33 6.943 6.943 8.087 -1.144 19893 2909 1 7 . 1 1 34 34 ASN N N 34 118.848 118.848 115.984 2.864 19893 2910 1 7 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.380 0.156 19893 2911 1 7 . 1 1 34 34 ASN C C 34 178.881 178.881 177.991 0.890 19893 2912 1 7 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.285 0.018 19893 2913 1 7 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.653 -0.072 19893 2914 1 7 . 1 1 34 34 ASN H H 34 8.320 8.320 8.154 0.166 19893 2915 1 7 . 1 1 35 35 GLN N N 35 118.808 118.808 119.321 -0.513 19893 2916 1 7 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.040 0.307 19893 2917 1 7 . 1 1 35 35 GLN C C 35 177.483 177.483 178.221 -0.738 19893 2918 1 7 . 1 1 35 35 GLN CA C 35 57.275 57.275 59.026 -1.751 19893 2919 1 7 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.875 1.003 19893 2920 1 7 . 1 1 35 35 GLN H H 35 8.053 8.053 8.678 -0.625 19893 2921 1 7 . 1 1 36 36 MET N N 36 116.334 116.334 118.064 -1.730 19893 2922 1 7 . 1 1 36 36 MET HA H 36 4.718 4.718 4.403 0.315 19893 2923 1 7 . 1 1 36 36 MET C C 36 177.424 177.424 178.816 -1.392 19893 2924 1 7 . 1 1 36 36 MET CA C 36 54.879 54.879 56.893 -2.014 19893 2925 1 7 . 1 1 36 36 MET CB C 36 31.263 31.263 31.406 -0.143 19893 2926 1 7 . 1 1 36 36 MET H H 36 7.596 7.596 8.090 -0.494 19893 2927 1 7 . 1 1 37 37 GLY N N 37 106.238 106.238 106.150 0.088 19893 2928 1 7 . 1 1 37 37 GLY C C 37 175.666 175.666 175.100 0.566 19893 2929 1 7 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.465 1.108 19893 2930 1 7 . 1 1 37 37 GLY H H 37 7.827 7.827 7.914 -0.087 19893 2931 1 7 . 1 1 38 38 LYS N N 38 120.688 120.688 120.220 0.468 19893 2932 1 7 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.144 0.269 19893 2933 1 7 . 1 1 38 38 LYS C C 38 176.395 176.395 179.038 -2.643 19893 2934 1 7 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.543 -2.211 19893 2935 1 7 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.922 -0.831 19893 2936 1 7 . 1 1 38 38 LYS H H 38 8.543 8.543 7.666 0.877 19893 2937 1 7 . 1 1 39 39 VAL N N 39 123.143 123.143 115.724 7.419 19893 2938 1 7 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.821 0.256 19893 2939 1 7 . 1 1 39 39 VAL CA C 39 62.829 62.829 64.938 -2.109 19893 2940 1 7 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.016 1.694 19893 2941 1 7 . 1 1 39 39 VAL H H 39 7.711 7.711 8.279 -0.568 19893 2942 1 7 . 1 1 40 40 ASN N N 40 125.464 125.464 116.823 8.641 19893 2943 1 7 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.853 -0.070 19893 2944 1 7 . 1 1 40 40 ASN C C 40 174.870 174.870 173.997 0.873 19893 2945 1 7 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.530 -0.036 19893 2946 1 7 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.030 0.363 19893 2947 1 7 . 1 1 40 40 ASN H H 40 8.692 8.692 8.255 0.437 19893 2948 1 7 . 1 1 41 41 ASP N N 41 116.195 116.195 118.993 -2.798 19893 2949 1 7 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.490 0.643 19893 2950 1 7 . 1 1 41 41 ASP C C 41 177.048 177.048 175.576 1.472 19893 2951 1 7 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.535 0.887 19893 2952 1 7 . 1 1 41 41 ASP CB C 41 43.353 43.353 40.058 3.295 19893 2953 1 7 . 1 1 41 41 ASP H H 41 8.403 8.403 8.722 -0.319 19893 2954 1 7 . 1 1 42 42 THR N N 42 111.139 111.139 110.575 0.564 19893 2955 1 7 . 1 1 42 42 THR HA H 42 4.646 4.646 4.471 0.175 19893 2956 1 7 . 1 1 42 42 THR CA C 42 57.844 57.844 62.482 -4.638 19893 2957 1 7 . 1 1 42 42 THR CB C 42 70.269 70.269 69.181 1.088 19893 2958 1 7 . 1 1 42 42 THR H H 42 7.532 7.532 7.711 -0.179 19893 2959 1 7 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.625 -0.091 19893 2960 1 7 . 1 1 43 43 PRO C C 43 175.550 175.550 176.137 -0.587 19893 2961 1 7 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.512 0.612 19893 2962 1 7 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.600 3.850 19893 2963 1 7 . 1 1 44 44 GLU N N 44 121.809 121.809 121.899 -0.090 19893 2964 1 7 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.357 -0.219 19893 2965 1 7 . 1 1 44 44 GLU C C 44 176.266 176.266 176.109 0.157 19893 2966 1 7 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.864 2.719 19893 2967 1 7 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.575 0.303 19893 2968 1 7 . 1 1 44 44 GLU H H 44 8.515 8.515 8.285 0.230 19893 2969 1 7 . 1 1 45 45 GLU N N 45 122.167 122.167 120.307 1.860 19893 2970 1 7 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.495 -0.143 19893 2971 1 7 . 1 1 45 45 GLU C C 45 175.468 175.468 176.841 -1.373 19893 2972 1 7 . 1 1 45 45 GLU CA C 45 54.805 54.805 57.279 -2.474 19893 2973 1 7 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.644 1.781 19893 2974 1 7 . 1 1 45 45 GLU H H 45 8.406 8.406 8.666 -0.260 19893 2975 1 7 . 1 1 46 46 GLU N N 46 123.100 123.100 117.828 5.272 19893 2976 1 7 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.634 -0.886 19893 2977 1 7 . 1 1 46 46 GLU C C 46 177.108 177.108 175.358 1.750 19893 2978 1 7 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.020 1.766 19893 2979 1 7 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.659 -2.042 19893 2980 1 7 . 1 1 46 46 GLU H H 46 8.729 8.729 8.441 0.288 19893 2981 1 7 . 1 1 47 47 GLY N N 47 102.684 102.684 107.401 -4.717 19893 2982 1 7 . 1 1 47 47 GLY C C 47 174.278 174.278 173.117 1.161 19893 2983 1 7 . 1 1 47 47 GLY CA C 47 45.972 45.972 46.173 -0.201 19893 2984 1 7 . 1 1 47 47 GLY H H 47 8.513 8.513 9.008 -0.495 19893 2985 1 7 . 1 1 48 48 MET N N 48 120.460 120.460 120.971 -0.511 19893 2986 1 7 . 1 1 48 48 MET HA H 48 5.004 5.004 4.955 0.049 19893 2987 1 7 . 1 1 48 48 MET CA C 48 53.307 53.307 52.656 0.651 19893 2988 1 7 . 1 1 48 48 MET CB C 48 35.537 35.537 34.686 0.851 19893 2989 1 7 . 1 1 48 48 MET H H 48 8.056 8.056 8.226 -0.170 19893 2990 1 7 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.129 0.022 19893 2991 1 7 . 1 1 50 50 LEU C C 50 179.381 179.381 178.796 0.585 19893 2992 1 7 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.540 1.344 19893 2993 1 7 . 1 1 50 50 LEU CB C 50 40.795 40.795 41.072 -0.278 19893 2994 1 7 . 1 1 51 51 ARG N N 51 113.058 113.058 119.381 -6.323 19893 2995 1 7 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.767 0.059 19893 2996 1 7 . 1 1 51 51 ARG C C 51 178.376 178.376 177.744 0.632 19893 2997 1 7 . 1 1 51 51 ARG CA C 51 61.473 61.473 58.892 2.581 19893 2998 1 7 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.707 2.388 19893 2999 1 7 . 1 1 51 51 ARG H H 51 8.076 8.076 7.945 0.131 19893 3000 1 7 . 1 1 52 52 ALA N N 52 118.144 118.144 122.964 -4.820 19893 3001 1 7 . 1 1 52 52 ALA HA H 52 4.090 4.090 3.912 0.178 19893 3002 1 7 . 1 1 52 52 ALA C C 52 180.673 180.673 179.554 1.119 19893 3003 1 7 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.995 -0.024 19893 3004 1 7 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.461 0.457 19893 3005 1 7 . 1 1 52 52 ALA H H 52 7.095 7.095 8.290 -1.195 19893 3006 1 7 . 1 1 53 53 TRP N N 53 121.809 121.809 116.353 5.456 19893 3007 1 7 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.547 -0.238 19893 3008 1 7 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.101 4.831 19893 3009 1 7 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.718 -0.206 19893 3010 1 7 . 1 1 53 53 TRP H H 53 8.608 8.608 7.778 0.830 19893 3011 1 7 . 1 1 54 54 VAL N N 54 120.508 120.508 122.234 -1.726 19893 3012 1 7 . 1 1 54 54 VAL HA H 54 2.844 2.844 3.056 -0.212 19893 3013 1 7 . 1 1 54 54 VAL C C 54 177.917 177.917 178.355 -0.438 19893 3014 1 7 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.015 1.419 19893 3015 1 7 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.329 1.188 19893 3016 1 7 . 1 1 54 54 VAL H H 54 8.352 8.352 6.937 1.415 19893 3017 1 7 . 1 1 55 55 ILE N N 55 118.131 118.131 119.459 -1.328 19893 3018 1 7 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.252 0.075 19893 3019 1 7 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.156 1.634 19893 3020 1 7 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.129 2.140 19893 3021 1 7 . 1 1 55 55 ILE H H 55 7.574 7.574 8.081 -0.507 19893 3022 1 7 . 1 1 56 56 LYS N N 56 120.517 120.517 121.886 -1.369 19893 3023 1 7 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.053 -0.001 19893 3024 1 7 . 1 1 56 56 LYS C C 56 179.574 179.574 178.489 1.085 19893 3025 1 7 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.389 1.186 19893 3026 1 7 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.756 1.375 19893 3027 1 7 . 1 1 56 56 LYS H H 56 8.354 8.354 8.165 0.189 19893 3028 1 7 . 1 1 57 57 CYS N N 57 116.239 116.239 116.457 -0.218 19893 3029 1 7 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.190 -0.276 19893 3030 1 7 . 1 1 57 57 CYS C C 57 178.985 178.985 176.996 1.989 19893 3031 1 7 . 1 1 57 57 CYS CA C 57 63.432 63.432 63.018 0.414 19893 3032 1 7 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.229 0.360 19893 3033 1 7 . 1 1 57 57 CYS H H 57 8.501 8.501 8.103 0.398 19893 3034 1 7 . 1 1 58 58 ALA N N 58 123.819 123.819 123.759 0.060 19893 3035 1 7 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.308 -0.273 19893 3036 1 7 . 1 1 58 58 ALA C C 58 177.753 177.753 178.700 -0.947 19893 3037 1 7 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.611 0.466 19893 3038 1 7 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.166 0.063 19893 3039 1 7 . 1 1 58 58 ALA H H 58 8.605 8.605 8.288 0.317 19893 3040 1 7 . 1 1 59 59 HIS N N 59 115.595 115.595 115.757 -0.162 19893 3041 1 7 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.206 -0.691 19893 3042 1 7 . 1 1 59 59 HIS C C 59 177.271 177.271 177.329 -0.058 19893 3043 1 7 . 1 1 59 59 HIS CA C 59 60.700 60.700 58.939 1.761 19893 3044 1 7 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.658 -1.867 19893 3045 1 7 . 1 1 59 59 HIS H H 59 8.132 8.132 8.609 -0.477 19893 3046 1 7 . 1 1 60 60 GLU N N 60 117.847 117.847 119.746 -1.899 19893 3047 1 7 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.965 -0.191 19893 3048 1 7 . 1 1 60 60 GLU C C 60 179.157 179.157 177.431 1.726 19893 3049 1 7 . 1 1 60 60 GLU CA C 60 59.774 59.774 57.822 1.952 19893 3050 1 7 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.195 0.702 19893 3051 1 7 . 1 1 60 60 GLU H H 60 8.623 8.623 7.561 1.062 19893 3052 1 7 . 1 1 61 61 ALA N N 61 122.193 122.193 120.943 1.250 19893 3053 1 7 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.145 -0.082 19893 3054 1 7 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.082 1.252 19893 3055 1 7 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.829 -0.471 19893 3056 1 7 . 1 1 61 61 ALA H H 61 7.891 7.891 7.637 0.254 19893 3057 1 7 . 1 1 62 62 LEU N N 62 120.135 120.135 119.793 0.342 19893 3058 1 7 . 1 1 62 62 LEU HA H 62 3.961 3.961 3.975 -0.014 19893 3059 1 7 . 1 1 62 62 LEU C C 62 178.813 178.813 178.244 0.569 19893 3060 1 7 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.355 0.165 19893 3061 1 7 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.806 0.878 19893 3062 1 7 . 1 1 62 62 LEU H H 62 7.080 7.080 7.354 -0.274 19893 3063 1 7 . 1 1 63 63 GLU N N 63 118.288 118.288 119.113 -0.825 19893 3064 1 7 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.959 -0.253 19893 3065 1 7 . 1 1 63 63 GLU C C 63 179.261 179.261 177.631 1.630 19893 3066 1 7 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.429 0.767 19893 3067 1 7 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.222 0.843 19893 3068 1 7 . 1 1 63 63 GLU H H 63 7.594 7.594 7.919 -0.325 19893 3069 1 7 . 1 1 64 64 LYS N N 64 116.167 116.167 119.402 -3.235 19893 3070 1 7 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.097 -0.020 19893 3071 1 7 . 1 1 64 64 LYS C C 64 177.763 177.763 176.547 1.216 19893 3072 1 7 . 1 1 64 64 LYS H H 64 7.342 7.342 7.704 -0.362 19893 3073 1 7 . 1 1 65 65 ASN N N 65 113.899 113.899 116.257 -2.358 19893 3074 1 7 . 1 1 65 65 ASN HA H 65 4.955 4.955 5.056 -0.101 19893 3075 1 7 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.128 0.725 19893 3076 1 7 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.916 -0.453 19893 3077 1 7 . 1 1 65 65 ASN H H 65 7.480 7.480 7.875 -0.395 19893 3078 1 7 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.795 -0.200 19893 3079 1 7 . 1 1 66 66 PRO C C 66 177.769 177.769 175.557 2.212 19893 3080 1 7 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.608 1.869 19893 3081 1 7 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.128 2.712 19893 3082 1 7 . 1 1 67 67 LYS N N 67 115.189 115.189 121.794 -6.605 19893 3083 1 7 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.532 -0.268 19893 3084 1 7 . 1 1 67 67 LYS C C 67 178.271 178.271 174.231 4.040 19893 3085 1 7 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.025 0.881 19893 3086 1 7 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.233 -3.103 19893 3087 1 7 . 1 1 67 67 LYS H H 67 7.611 7.611 7.782 -0.171 19893 3088 1 7 . 1 1 68 68 ILE N N 68 118.905 118.905 123.693 -4.788 19893 3089 1 7 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.230 -1.060 19893 3090 1 7 . 1 1 68 68 ILE C C 68 177.006 177.006 175.222 1.784 19893 3091 1 7 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.556 3.817 19893 3092 1 7 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.209 0.707 19893 3093 1 7 . 1 1 68 68 ILE H H 68 7.662 7.662 8.555 -0.893 19893 3094 1 7 . 1 1 69 69 ARG N N 69 119.690 119.690 130.494 -10.804 19893 3095 1 7 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.700 0.256 19893 3096 1 7 . 1 1 69 69 ARG C C 69 175.294 175.294 173.701 1.593 19893 3097 1 7 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.684 -0.191 19893 3098 1 7 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.186 -2.699 19893 3099 1 7 . 1 1 69 69 ARG H H 69 9.018 9.018 9.279 -0.261 19893 3100 1 7 . 1 1 70 70 GLU N N 70 116.461 116.461 124.973 -8.512 19893 3101 1 7 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.785 0.176 19893 3102 1 7 . 1 1 70 70 GLU C C 70 174.398 174.398 174.800 -0.402 19893 3103 1 7 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.607 -0.070 19893 3104 1 7 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.198 0.652 19893 3105 1 7 . 1 1 70 70 GLU H H 70 7.565 7.565 8.586 -1.022 19893 3106 1 7 . 1 1 71 71 VAL N N 71 116.838 116.838 121.070 -4.232 19893 3107 1 7 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.296 0.165 19893 3108 1 7 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.084 0.940 19893 3109 1 7 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.349 -0.572 19893 3110 1 7 . 1 1 71 71 VAL H H 71 8.946 8.946 8.556 0.390 19893 3111 1 7 . 1 1 72 72 TYR N N 72 125.566 125.566 120.709 4.857 19893 3112 1 7 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.914 0.519 19893 3113 1 7 . 1 1 72 72 TYR C C 72 176.183 176.183 173.711 2.472 19893 3114 1 7 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.273 2.677 19893 3115 1 7 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.194 1.019 19893 3116 1 7 . 1 1 72 72 TYR H H 72 8.689 8.689 7.737 0.952 19893 3117 1 7 . 1 1 73 73 LEU N N 73 122.757 122.757 124.108 -1.351 19893 3118 1 7 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.850 0.170 19893 3119 1 7 . 1 1 73 73 LEU C C 73 176.134 176.134 175.676 0.458 19893 3120 1 7 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.671 0.037 19893 3121 1 7 . 1 1 73 73 LEU CB C 73 46.349 46.349 46.584 -0.235 19893 3122 1 7 . 1 1 73 73 LEU H H 73 9.202 9.202 9.110 0.092 19893 3123 1 7 . 1 1 74 74 LYS N N 74 124.941 124.941 122.653 2.288 19893 3124 1 7 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.199 0.137 19893 3125 1 7 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.334 1.139 19893 3126 1 7 . 1 1 74 74 LYS CB C 74 34.986 34.986 35.422 -0.436 19893 3127 1 7 . 1 1 74 74 LYS H H 74 9.205 9.205 8.570 0.635 19893 3128 1 7 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.282 1.677 19893 3129 1 7 . 1 1 75 75 PRO C C 75 176.549 176.549 176.786 -0.237 19893 3130 1 7 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.069 1.381 19893 3131 1 7 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.747 0.871 19893 3132 1 7 . 1 1 76 76 ARG N N 76 122.429 122.429 122.693 -0.264 19893 3133 1 7 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.118 0.290 19893 3134 1 7 . 1 1 76 76 ARG C C 76 178.244 178.244 174.536 3.708 19893 3135 1 7 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.492 1.331 19893 3136 1 7 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.964 4.491 19893 3137 1 7 . 1 1 76 76 ARG H H 76 10.063 10.063 7.992 2.071 19893 3138 1 7 . 1 1 77 77 ALA N N 77 127.287 127.287 123.807 3.480 19893 3139 1 7 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.524 -0.383 19893 3140 1 7 . 1 1 77 77 ALA C C 77 179.691 179.691 177.127 2.564 19893 3141 1 7 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.656 4.212 19893 3142 1 7 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.460 -0.958 19893 3143 1 7 . 1 1 77 77 ALA H H 77 9.710 9.710 8.034 1.676 19893 3144 1 7 . 1 1 78 78 VAL N N 78 118.326 118.326 117.356 0.970 19893 3145 1 7 . 1 1 78 78 VAL HA H 78 4.021 4.021 3.983 0.038 19893 3146 1 7 . 1 1 78 78 VAL CA C 78 63.481 63.481 64.588 -1.107 19893 3147 1 7 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.159 0.440 19893 3148 1 7 . 1 1 78 78 VAL H H 78 7.954 7.954 8.316 -0.362 19893 3149 1 7 . 1 1 79 79 LYS N N 79 125.429 125.429 119.839 5.590 19893 3150 1 7 . 1 1 79 79 LYS CA C 79 59.788 59.788 56.832 2.956 19893 3151 1 7 . 1 1 79 79 LYS H H 79 8.695 8.695 8.014 0.681 19893 3152 1 7 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.643 0.147 19893 3153 1 7 . 1 1 80 80 ASN C C 80 175.317 175.317 175.619 -0.302 19893 3154 1 7 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.611 0.093 19893 3155 1 7 . 1 1 80 80 ASN CB C 80 38.854 38.854 38.276 0.578 19893 3156 1 7 . 1 1 81 81 SER N N 81 113.408 113.408 122.235 -8.827 19893 3157 1 7 . 1 1 81 81 SER HA H 81 4.408 4.408 4.439 -0.031 19893 3158 1 7 . 1 1 81 81 SER CA C 81 59.296 59.296 58.810 0.486 19893 3159 1 7 . 1 1 81 81 SER CB C 81 64.171 64.171 62.971 1.200 19893 3160 1 7 . 1 1 81 81 SER H H 81 7.715 7.715 9.513 -1.798 19893 3161 1 7 . 1 1 82 82 SER N N 82 117.894 117.894 113.876 4.018 19893 3162 1 7 . 1 1 82 82 SER HA H 82 4.541 4.541 4.120 0.421 19893 3163 1 7 . 1 1 82 82 SER C C 82 174.196 174.196 172.723 1.473 19893 3164 1 7 . 1 1 82 82 SER CA C 82 58.767 58.767 59.169 -0.402 19893 3165 1 7 . 1 1 82 82 SER CB C 82 64.382 64.382 61.653 2.729 19893 3166 1 7 . 1 1 82 82 SER H H 82 8.472 8.472 7.948 0.524 19893 3167 1 7 . 1 1 83 83 VAL N N 83 122.430 122.430 119.298 3.132 19893 3168 1 7 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.349 0.052 19893 3169 1 7 . 1 1 83 83 VAL C C 83 174.614 174.614 173.630 0.984 19893 3170 1 7 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.296 2.236 19893 3171 1 7 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.229 1.159 19893 3172 1 7 . 1 1 83 83 VAL H H 83 7.686 7.686 8.065 -0.379 19893 3173 1 7 . 1 1 84 84 GLN N N 84 123.141 123.141 127.288 -4.147 19893 3174 1 7 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.337 -0.550 19893 3175 1 7 . 1 1 84 84 GLN C C 84 174.077 174.077 175.313 -1.236 19893 3176 1 7 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.332 0.741 19893 3177 1 7 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.747 -0.024 19893 3178 1 7 . 1 1 84 84 GLN H H 84 8.287 8.287 8.703 -0.416 19893 3179 1 7 . 1 1 85 85 PHE N N 85 121.281 121.281 119.047 2.234 19893 3180 1 7 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.125 0.163 19893 3181 1 7 . 1 1 85 85 PHE C C 85 175.063 175.063 175.149 -0.086 19893 3182 1 7 . 1 1 85 85 PHE CA C 85 57.435 57.435 57.022 0.413 19893 3183 1 7 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.957 -2.749 19893 3184 1 7 . 1 1 85 85 PHE H H 85 9.241 9.241 9.718 -0.477 19893 3185 1 7 . 1 1 86 86 HIS N N 86 125.300 125.300 122.104 3.196 19893 3186 1 7 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.064 -0.317 19893 3187 1 7 . 1 1 86 86 HIS C C 86 172.315 172.315 173.412 -1.097 19893 3188 1 7 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.098 -2.745 19893 3189 1 7 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.388 -2.303 19893 3190 1 7 . 1 1 86 86 HIS H H 86 9.340 9.340 9.026 0.314 19893 3191 1 7 . 1 1 87 87 VAL N N 87 127.396 127.396 128.419 -1.023 19893 3192 1 7 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.545 -1.322 19893 3193 1 7 . 1 1 87 87 VAL C C 87 173.887 173.887 173.353 0.534 19893 3194 1 7 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.575 2.563 19893 3195 1 7 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.793 -3.817 19893 3196 1 7 . 1 1 87 87 VAL H H 87 8.722 8.722 9.166 -0.444 19893 3197 1 7 . 1 1 88 88 ILE N N 88 127.814 127.814 130.065 -2.251 19893 3198 1 7 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.083 -0.298 19893 3199 1 7 . 1 1 88 88 ILE C C 88 174.542 174.542 175.033 -0.491 19893 3200 1 7 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.614 0.806 19893 3201 1 7 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.384 2.684 19893 3202 1 7 . 1 1 88 88 ILE H H 88 8.605 8.605 8.411 0.194 19893 3203 1 7 . 1 1 89 89 PHE N N 89 125.156 125.156 128.213 -3.057 19893 3204 1 7 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.301 0.380 19893 3205 1 7 . 1 1 89 89 PHE C C 89 175.138 175.138 175.507 -0.369 19893 3206 1 7 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.088 -1.769 19893 3207 1 7 . 1 1 89 89 PHE CB C 89 39.410 39.410 38.353 1.057 19893 3208 1 7 . 1 1 89 89 PHE H H 89 7.872 7.872 8.699 -0.827 19893 3209 1 7 . 1 1 90 90 ASP N N 90 125.113 125.113 125.255 -0.142 19893 3210 1 7 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.922 -0.111 19893 3211 1 7 . 1 1 90 90 ASP C C 90 176.988 176.988 175.086 1.902 19893 3212 1 7 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.881 0.620 19893 3213 1 7 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.629 0.657 19893 3214 1 7 . 1 1 90 90 ASP H H 90 8.740 8.740 8.508 0.232 19893 3215 1 7 . 1 1 91 91 GLU N N 91 124.589 124.589 126.701 -2.112 19893 3216 1 7 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.587 -0.213 19893 3217 1 7 . 1 1 91 91 GLU C C 91 175.801 175.801 175.554 0.247 19893 3218 1 7 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.514 2.957 19893 3219 1 7 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.170 1.022 19893 3220 1 7 . 1 1 91 91 GLU H H 91 9.028 9.028 8.434 0.594 19893 3221 1 8 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.545 -0.193 19893 3222 1 8 . 1 1 8 8 PRO C C 8 176.467 176.467 175.408 1.059 19893 3223 1 8 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.821 0.542 19893 3224 1 8 . 1 1 8 8 PRO CB C 8 32.389 32.389 29.652 2.737 19893 3225 1 8 . 1 1 9 9 ALA N N 9 124.419 124.419 122.571 1.848 19893 3226 1 8 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.095 0.312 19893 3227 1 8 . 1 1 9 9 ALA C C 9 177.826 177.826 178.031 -0.205 19893 3228 1 8 . 1 1 9 9 ALA CA C 9 52.552 52.552 54.060 -1.508 19893 3229 1 8 . 1 1 9 9 ALA CB C 9 19.854 19.854 19.252 0.602 19893 3230 1 8 . 1 1 9 9 ALA H H 9 8.301 8.301 8.094 0.207 19893 3231 1 8 . 1 1 10 10 VAL N N 10 120.778 120.778 119.014 1.764 19893 3232 1 8 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.120 0.039 19893 3233 1 8 . 1 1 10 10 VAL C C 10 175.233 175.233 173.804 1.429 19893 3234 1 8 . 1 1 10 10 VAL CA C 10 62.133 62.133 62.075 0.058 19893 3235 1 8 . 1 1 10 10 VAL CB C 10 33.820 33.820 32.739 1.081 19893 3236 1 8 . 1 1 10 10 VAL H H 10 8.095 8.095 7.702 0.393 19893 3237 1 8 . 1 1 11 11 ASP N N 11 125.133 125.133 127.971 -2.838 19893 3238 1 8 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.259 -0.227 19893 3239 1 8 . 1 1 11 11 ASP C C 11 176.892 176.892 175.359 1.533 19893 3240 1 8 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.038 1.555 19893 3241 1 8 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.992 -0.330 19893 3242 1 8 . 1 1 11 11 ASP H H 11 8.285 8.285 8.525 -0.240 19893 3243 1 8 . 1 1 12 12 VAL N N 12 124.553 124.553 125.251 -0.698 19893 3244 1 8 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.204 -0.079 19893 3245 1 8 . 1 1 12 12 VAL C C 12 175.226 175.226 174.384 0.842 19893 3246 1 8 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.105 2.517 19893 3247 1 8 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.105 -1.777 19893 3248 1 8 . 1 1 12 12 VAL H H 12 8.615 8.615 8.668 -0.053 19893 3249 1 8 . 1 1 13 13 GLU N N 13 130.776 130.776 124.110 6.666 19893 3250 1 8 . 1 1 13 13 GLU HA H 13 5.091 5.091 4.691 0.400 19893 3251 1 8 . 1 1 13 13 GLU C C 13 175.853 175.853 174.959 0.894 19893 3252 1 8 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.461 0.808 19893 3253 1 8 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.573 0.063 19893 3254 1 8 . 1 1 13 13 GLU H H 13 8.796 8.796 8.341 0.455 19893 3255 1 8 . 1 1 14 14 ILE N N 14 128.969 128.969 125.079 3.890 19893 3256 1 8 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.273 0.100 19893 3257 1 8 . 1 1 14 14 ILE C C 14 174.048 174.048 173.785 0.263 19893 3258 1 8 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.729 -0.950 19893 3259 1 8 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.248 0.738 19893 3260 1 8 . 1 1 14 14 ILE H H 14 8.602 8.602 9.135 -0.533 19893 3261 1 8 . 1 1 15 15 HIS N N 15 124.354 124.354 124.969 -0.615 19893 3262 1 8 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.805 0.449 19893 3263 1 8 . 1 1 15 15 HIS C C 15 174.830 174.830 173.661 1.169 19893 3264 1 8 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.471 0.916 19893 3265 1 8 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.532 -1.028 19893 3266 1 8 . 1 1 15 15 HIS H H 15 8.926 8.926 8.872 0.054 19893 3267 1 8 . 1 1 16 16 PHE N N 16 117.887 117.887 126.283 -8.396 19893 3268 1 8 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.986 0.615 19893 3269 1 8 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.976 -2.416 19893 3270 1 8 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.222 1.768 19893 3271 1 8 . 1 1 16 16 PHE H H 16 8.758 8.758 9.068 -0.310 19893 3272 1 8 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.939 -0.180 19893 3273 1 8 . 1 1 17 17 PRO C C 17 178.833 178.833 176.716 2.117 19893 3274 1 8 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.962 1.096 19893 3275 1 8 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.875 -0.915 19893 3276 1 8 . 1 1 18 18 LEU N N 18 131.092 131.092 123.124 7.968 19893 3277 1 8 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.226 -0.480 19893 3278 1 8 . 1 1 18 18 LEU C C 18 177.657 177.657 176.480 1.177 19893 3279 1 8 . 1 1 18 18 LEU CA C 18 59.042 59.042 56.218 2.825 19893 3280 1 8 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.660 2.114 19893 3281 1 8 . 1 1 18 18 LEU H H 18 9.189 9.189 8.416 0.772 19893 3282 1 8 . 1 1 19 19 LYS N N 19 113.358 113.358 113.376 -0.018 19893 3283 1 8 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.442 -0.527 19893 3284 1 8 . 1 1 19 19 LYS C C 19 179.580 179.580 176.042 3.538 19893 3285 1 8 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.129 3.346 19893 3286 1 8 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.496 -0.820 19893 3287 1 8 . 1 1 19 19 LYS H H 19 8.967 8.967 7.954 1.013 19893 3288 1 8 . 1 1 20 20 ARG N N 20 113.649 113.649 119.029 -5.380 19893 3289 1 8 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.568 -0.216 19893 3290 1 8 . 1 1 20 20 ARG C C 20 179.148 179.148 177.993 1.155 19893 3291 1 8 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.736 1.067 19893 3292 1 8 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.190 -1.060 19893 3293 1 8 . 1 1 20 20 ARG H H 20 7.118 7.118 8.161 -1.043 19893 3294 1 8 . 1 1 21 21 ILE N N 21 117.305 117.305 117.378 -0.073 19893 3295 1 8 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.035 0.283 19893 3296 1 8 . 1 1 21 21 ILE C C 21 175.336 175.336 176.472 -1.136 19893 3297 1 8 . 1 1 21 21 ILE CA C 21 59.592 59.592 62.088 -2.496 19893 3298 1 8 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.675 2.342 19893 3299 1 8 . 1 1 21 21 ILE H H 21 7.752 7.752 7.998 -0.246 19893 3300 1 8 . 1 1 22 22 ALA N N 22 123.637 123.637 120.768 2.869 19893 3301 1 8 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.138 -0.051 19893 3302 1 8 . 1 1 22 22 ALA C C 22 177.701 177.701 177.448 0.253 19893 3303 1 8 . 1 1 22 22 ALA CA C 22 53.390 53.390 52.447 0.943 19893 3304 1 8 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.023 1.025 19893 3305 1 8 . 1 1 22 22 ALA H H 22 7.759 7.759 7.936 -0.177 19893 3306 1 8 . 1 1 23 23 ALA N N 23 120.182 120.182 121.755 -1.573 19893 3307 1 8 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.126 0.159 19893 3308 1 8 . 1 1 23 23 ALA C C 23 178.285 178.285 178.092 0.193 19893 3309 1 8 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.762 -0.856 19893 3310 1 8 . 1 1 23 23 ALA CB C 23 20.190 20.190 19.661 0.529 19893 3311 1 8 . 1 1 23 23 ALA H H 23 6.732 6.732 7.667 -0.935 19893 3312 1 8 . 1 1 24 24 GLU N N 24 119.837 119.837 115.226 4.611 19893 3313 1 8 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.232 -0.067 19893 3314 1 8 . 1 1 24 24 GLU C C 24 179.026 179.026 177.724 1.302 19893 3315 1 8 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.941 2.541 19893 3316 1 8 . 1 1 24 24 GLU CB C 24 29.977 29.977 29.254 0.723 19893 3317 1 8 . 1 1 24 24 GLU H H 24 8.830 8.830 8.342 0.488 19893 3318 1 8 . 1 1 25 25 GLY N N 25 107.505 107.505 108.781 -1.276 19893 3319 1 8 . 1 1 25 25 GLY C C 25 176.338 176.338 175.904 0.434 19893 3320 1 8 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.352 -0.276 19893 3321 1 8 . 1 1 25 25 GLY H H 25 8.425 8.425 8.645 -0.220 19893 3322 1 8 . 1 1 26 26 TYR N N 26 119.505 119.505 122.824 -3.319 19893 3323 1 8 . 1 1 26 26 TYR HA H 26 4.256 4.256 4.047 0.209 19893 3324 1 8 . 1 1 26 26 TYR C C 26 176.005 176.005 177.093 -1.088 19893 3325 1 8 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.766 -1.052 19893 3326 1 8 . 1 1 26 26 TYR CB C 26 37.497 37.497 38.220 -0.723 19893 3327 1 8 . 1 1 26 26 TYR H H 26 7.262 7.262 8.163 -0.901 19893 3328 1 8 . 1 1 27 27 ALA N N 27 122.574 122.574 119.533 3.041 19893 3329 1 8 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.987 -0.523 19893 3330 1 8 . 1 1 27 27 ALA C C 27 178.550 178.550 179.514 -0.964 19893 3331 1 8 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.993 -0.821 19893 3332 1 8 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.084 -0.009 19893 3333 1 8 . 1 1 27 27 ALA H H 27 6.867 6.867 8.323 -1.456 19893 3334 1 8 . 1 1 28 28 GLU N N 28 114.244 114.244 119.063 -4.819 19893 3335 1 8 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.873 0.466 19893 3336 1 8 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.538 -4.286 19893 3337 1 8 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.638 0.807 19893 3338 1 8 . 1 1 28 28 GLU H H 28 7.285 7.285 7.836 -0.551 19893 3339 1 8 . 1 1 29 29 ASP N N 29 120.177 120.177 118.474 1.703 19893 3340 1 8 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.341 0.116 19893 3341 1 8 . 1 1 29 29 ASP C C 29 177.771 177.771 179.103 -1.332 19893 3342 1 8 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.513 -3.065 19893 3343 1 8 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.023 0.666 19893 3344 1 8 . 1 1 29 29 ASP H H 29 7.083 7.083 8.161 -1.078 19893 3345 1 8 . 1 1 30 30 GLU N N 30 129.724 129.724 119.205 10.519 19893 3346 1 8 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.236 -0.274 19893 3347 1 8 . 1 1 30 30 GLU C C 30 178.184 178.184 178.895 -0.711 19893 3348 1 8 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.921 0.435 19893 3349 1 8 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.364 -0.083 19893 3350 1 8 . 1 1 30 30 GLU H H 30 9.081 9.081 7.709 1.372 19893 3351 1 8 . 1 1 31 31 LEU N N 31 120.990 120.990 121.322 -0.332 19893 3352 1 8 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.161 -0.002 19893 3353 1 8 . 1 1 31 31 LEU C C 31 180.910 180.910 179.335 1.575 19893 3354 1 8 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.017 1.063 19893 3355 1 8 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.291 -0.609 19893 3356 1 8 . 1 1 31 31 LEU H H 31 8.323 8.323 7.913 0.410 19893 3357 1 8 . 1 1 32 32 LEU N N 32 116.856 116.856 119.036 -2.180 19893 3358 1 8 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.371 -0.419 19893 3359 1 8 . 1 1 32 32 LEU C C 32 179.086 179.086 179.232 -0.146 19893 3360 1 8 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.407 0.611 19893 3361 1 8 . 1 1 32 32 LEU CB C 32 40.951 40.951 41.057 -0.106 19893 3362 1 8 . 1 1 32 32 LEU H H 32 7.225 7.225 8.567 -1.342 19893 3363 1 8 . 1 1 33 33 LEU N N 33 117.769 117.769 122.233 -4.464 19893 3364 1 8 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.894 0.028 19893 3365 1 8 . 1 1 33 33 LEU C C 33 181.207 181.207 178.435 2.772 19893 3366 1 8 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.659 0.151 19893 3367 1 8 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.181 0.931 19893 3368 1 8 . 1 1 33 33 LEU H H 33 6.943 6.943 8.084 -1.141 19893 3369 1 8 . 1 1 34 34 ASN N N 34 118.848 118.848 116.473 2.375 19893 3370 1 8 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.363 0.173 19893 3371 1 8 . 1 1 34 34 ASN C C 34 178.881 178.881 177.957 0.924 19893 3372 1 8 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.175 0.128 19893 3373 1 8 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.748 -0.168 19893 3374 1 8 . 1 1 34 34 ASN H H 34 8.320 8.320 7.907 0.413 19893 3375 1 8 . 1 1 35 35 GLN N N 35 118.808 118.808 118.376 0.432 19893 3376 1 8 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.209 0.138 19893 3377 1 8 . 1 1 35 35 GLN C C 35 177.483 177.483 178.294 -0.811 19893 3378 1 8 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.522 -1.247 19893 3379 1 8 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.673 1.205 19893 3380 1 8 . 1 1 35 35 GLN H H 35 8.053 8.053 8.235 -0.182 19893 3381 1 8 . 1 1 36 36 MET N N 36 116.334 116.334 120.778 -4.444 19893 3382 1 8 . 1 1 36 36 MET HA H 36 4.718 4.718 4.451 0.267 19893 3383 1 8 . 1 1 36 36 MET C C 36 177.424 177.424 178.040 -0.616 19893 3384 1 8 . 1 1 36 36 MET CA C 36 54.879 54.879 56.971 -2.092 19893 3385 1 8 . 1 1 36 36 MET CB C 36 31.263 31.263 32.283 -1.020 19893 3386 1 8 . 1 1 36 36 MET H H 36 7.596 7.596 7.732 -0.136 19893 3387 1 8 . 1 1 37 37 GLY N N 37 106.238 106.238 106.851 -0.613 19893 3388 1 8 . 1 1 37 37 GLY C C 37 175.666 175.666 174.890 0.776 19893 3389 1 8 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.162 1.411 19893 3390 1 8 . 1 1 37 37 GLY H H 37 7.827 7.827 8.297 -0.470 19893 3391 1 8 . 1 1 38 38 LYS N N 38 120.688 120.688 121.250 -0.562 19893 3392 1 8 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.078 0.335 19893 3393 1 8 . 1 1 38 38 LYS C C 38 176.395 176.395 178.966 -2.571 19893 3394 1 8 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.749 -2.417 19893 3395 1 8 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.760 -0.669 19893 3396 1 8 . 1 1 38 38 LYS H H 38 8.543 8.543 7.553 0.990 19893 3397 1 8 . 1 1 39 39 VAL N N 39 123.143 123.143 114.288 8.855 19893 3398 1 8 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.819 0.258 19893 3399 1 8 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.144 -2.315 19893 3400 1 8 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.976 1.734 19893 3401 1 8 . 1 1 39 39 VAL H H 39 7.711 7.711 8.215 -0.504 19893 3402 1 8 . 1 1 40 40 ASN N N 40 125.464 125.464 115.771 9.693 19893 3403 1 8 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.798 -0.015 19893 3404 1 8 . 1 1 40 40 ASN C C 40 174.870 174.870 173.811 1.059 19893 3405 1 8 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.388 0.106 19893 3406 1 8 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.604 -0.211 19893 3407 1 8 . 1 1 40 40 ASN H H 40 8.692 8.692 7.624 1.068 19893 3408 1 8 . 1 1 41 41 ASP N N 41 116.195 116.195 117.042 -0.847 19893 3409 1 8 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.462 0.671 19893 3410 1 8 . 1 1 41 41 ASP C C 41 177.048 177.048 175.214 1.834 19893 3411 1 8 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.444 0.978 19893 3412 1 8 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.789 3.564 19893 3413 1 8 . 1 1 41 41 ASP H H 41 8.403 8.403 8.797 -0.394 19893 3414 1 8 . 1 1 42 42 THR N N 42 111.139 111.139 107.548 3.591 19893 3415 1 8 . 1 1 42 42 THR HA H 42 4.646 4.646 4.377 0.269 19893 3416 1 8 . 1 1 42 42 THR CA C 42 57.844 57.844 62.802 -4.958 19893 3417 1 8 . 1 1 42 42 THR CB C 42 70.269 70.269 67.852 2.417 19893 3418 1 8 . 1 1 42 42 THR H H 42 7.532 7.532 7.663 -0.131 19893 3419 1 8 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.572 -0.038 19893 3420 1 8 . 1 1 43 43 PRO C C 43 175.550 175.550 176.497 -0.947 19893 3421 1 8 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.042 1.082 19893 3422 1 8 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.642 3.808 19893 3423 1 8 . 1 1 44 44 GLU N N 44 121.809 121.809 122.964 -1.155 19893 3424 1 8 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.315 -0.177 19893 3425 1 8 . 1 1 44 44 GLU C C 44 176.266 176.266 176.020 0.246 19893 3426 1 8 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.684 2.898 19893 3427 1 8 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.355 0.523 19893 3428 1 8 . 1 1 44 44 GLU H H 44 8.515 8.515 8.128 0.387 19893 3429 1 8 . 1 1 45 45 GLU N N 45 122.167 122.167 120.429 1.738 19893 3430 1 8 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.448 -0.096 19893 3431 1 8 . 1 1 45 45 GLU C C 45 175.468 175.468 177.308 -1.840 19893 3432 1 8 . 1 1 45 45 GLU CA C 45 54.805 54.805 54.663 0.142 19893 3433 1 8 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.735 1.690 19893 3434 1 8 . 1 1 45 45 GLU H H 45 8.406 8.406 8.558 -0.152 19893 3435 1 8 . 1 1 46 46 GLU N N 46 123.100 123.100 120.282 2.818 19893 3436 1 8 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.290 -0.542 19893 3437 1 8 . 1 1 46 46 GLU C C 46 177.108 177.108 175.755 1.353 19893 3438 1 8 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.585 1.201 19893 3439 1 8 . 1 1 46 46 GLU CB C 46 28.617 28.617 27.377 1.240 19893 3440 1 8 . 1 1 46 46 GLU H H 46 8.729 8.729 8.797 -0.068 19893 3441 1 8 . 1 1 47 47 GLY N N 47 102.684 102.684 107.999 -5.315 19893 3442 1 8 . 1 1 47 47 GLY C C 47 174.278 174.278 173.051 1.227 19893 3443 1 8 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.503 0.469 19893 3444 1 8 . 1 1 47 47 GLY H H 47 8.513 8.513 8.243 0.270 19893 3445 1 8 . 1 1 48 48 MET N N 48 120.460 120.460 120.824 -0.364 19893 3446 1 8 . 1 1 48 48 MET HA H 48 5.004 5.004 4.924 0.080 19893 3447 1 8 . 1 1 48 48 MET CA C 48 53.307 53.307 52.808 0.499 19893 3448 1 8 . 1 1 48 48 MET CB C 48 35.537 35.537 34.400 1.137 19893 3449 1 8 . 1 1 48 48 MET H H 48 8.056 8.056 7.911 0.145 19893 3450 1 8 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.144 0.007 19893 3451 1 8 . 1 1 50 50 LEU C C 50 179.381 179.381 178.761 0.620 19893 3452 1 8 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.165 1.719 19893 3453 1 8 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.986 -0.191 19893 3454 1 8 . 1 1 51 51 ARG N N 51 113.058 113.058 118.680 -5.622 19893 3455 1 8 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.883 -0.057 19893 3456 1 8 . 1 1 51 51 ARG C C 51 178.376 178.376 178.119 0.257 19893 3457 1 8 . 1 1 51 51 ARG CA C 51 61.473 61.473 58.938 2.535 19893 3458 1 8 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.655 2.440 19893 3459 1 8 . 1 1 51 51 ARG H H 51 8.076 8.076 8.464 -0.388 19893 3460 1 8 . 1 1 52 52 ALA N N 52 118.144 118.144 123.651 -5.507 19893 3461 1 8 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.020 0.070 19893 3462 1 8 . 1 1 52 52 ALA C C 52 180.673 180.673 179.730 0.943 19893 3463 1 8 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.912 0.059 19893 3464 1 8 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.496 0.422 19893 3465 1 8 . 1 1 52 52 ALA H H 52 7.095 7.095 7.647 -0.552 19893 3466 1 8 . 1 1 53 53 TRP N N 53 121.809 121.809 116.995 4.814 19893 3467 1 8 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.511 -0.202 19893 3468 1 8 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.510 4.422 19893 3469 1 8 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.761 -0.249 19893 3470 1 8 . 1 1 53 53 TRP H H 53 8.608 8.608 7.771 0.837 19893 3471 1 8 . 1 1 54 54 VAL N N 54 120.508 120.508 122.374 -1.866 19893 3472 1 8 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.888 -0.044 19893 3473 1 8 . 1 1 54 54 VAL C C 54 177.917 177.917 178.126 -0.209 19893 3474 1 8 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.099 1.335 19893 3475 1 8 . 1 1 54 54 VAL CB C 54 31.517 31.517 31.006 0.511 19893 3476 1 8 . 1 1 54 54 VAL H H 54 8.352 8.352 6.985 1.367 19893 3477 1 8 . 1 1 55 55 ILE N N 55 118.131 118.131 119.787 -1.656 19893 3478 1 8 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.183 0.144 19893 3479 1 8 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.305 1.485 19893 3480 1 8 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.281 1.988 19893 3481 1 8 . 1 1 55 55 ILE H H 55 7.574 7.574 7.958 -0.384 19893 3482 1 8 . 1 1 56 56 LYS N N 56 120.517 120.517 121.278 -0.761 19893 3483 1 8 . 1 1 56 56 LYS HA H 56 4.052 4.052 3.749 0.303 19893 3484 1 8 . 1 1 56 56 LYS C C 56 179.574 179.574 178.193 1.381 19893 3485 1 8 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.217 1.359 19893 3486 1 8 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.647 1.484 19893 3487 1 8 . 1 1 56 56 LYS H H 56 8.354 8.354 8.134 0.220 19893 3488 1 8 . 1 1 57 57 CYS N N 57 116.239 116.239 116.727 -0.488 19893 3489 1 8 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.092 -0.178 19893 3490 1 8 . 1 1 57 57 CYS C C 57 178.985 178.985 176.610 2.375 19893 3491 1 8 . 1 1 57 57 CYS CA C 57 63.432 63.432 63.244 0.188 19893 3492 1 8 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.041 0.548 19893 3493 1 8 . 1 1 57 57 CYS H H 57 8.501 8.501 8.044 0.457 19893 3494 1 8 . 1 1 58 58 ALA N N 58 123.819 123.819 124.174 -0.355 19893 3495 1 8 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.469 -0.434 19893 3496 1 8 . 1 1 58 58 ALA C C 58 177.753 177.753 178.817 -1.064 19893 3497 1 8 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.577 0.500 19893 3498 1 8 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.084 0.145 19893 3499 1 8 . 1 1 58 58 ALA H H 58 8.605 8.605 8.615 -0.010 19893 3500 1 8 . 1 1 59 59 HIS N N 59 115.595 115.595 115.424 0.171 19893 3501 1 8 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.202 -0.687 19893 3502 1 8 . 1 1 59 59 HIS C C 59 177.271 177.271 177.275 -0.004 19893 3503 1 8 . 1 1 59 59 HIS CA C 59 60.700 60.700 58.336 2.364 19893 3504 1 8 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.654 -1.863 19893 3505 1 8 . 1 1 59 59 HIS H H 59 8.132 8.132 8.441 -0.309 19893 3506 1 8 . 1 1 60 60 GLU N N 60 117.847 117.847 120.461 -2.614 19893 3507 1 8 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.965 -0.191 19893 3508 1 8 . 1 1 60 60 GLU C C 60 179.157 179.157 178.194 0.963 19893 3509 1 8 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.773 1.001 19893 3510 1 8 . 1 1 60 60 GLU CB C 60 29.897 29.897 28.972 0.925 19893 3511 1 8 . 1 1 60 60 GLU H H 60 8.623 8.623 7.853 0.770 19893 3512 1 8 . 1 1 61 61 ALA N N 61 122.193 122.193 120.470 1.723 19893 3513 1 8 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.117 -0.054 19893 3514 1 8 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.385 0.949 19893 3515 1 8 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.815 -0.456 19893 3516 1 8 . 1 1 61 61 ALA H H 61 7.891 7.891 7.905 -0.014 19893 3517 1 8 . 1 1 62 62 LEU N N 62 120.135 120.135 118.892 1.243 19893 3518 1 8 . 1 1 62 62 LEU HA H 62 3.961 3.961 3.966 -0.005 19893 3519 1 8 . 1 1 62 62 LEU C C 62 178.813 178.813 178.392 0.421 19893 3520 1 8 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.226 1.293 19893 3521 1 8 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.463 1.221 19893 3522 1 8 . 1 1 62 62 LEU H H 62 7.080 7.080 7.451 -0.371 19893 3523 1 8 . 1 1 63 63 GLU N N 63 118.288 118.288 119.284 -0.996 19893 3524 1 8 . 1 1 63 63 GLU HA H 63 3.706 3.706 4.005 -0.299 19893 3525 1 8 . 1 1 63 63 GLU C C 63 179.261 179.261 177.638 1.623 19893 3526 1 8 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.482 0.714 19893 3527 1 8 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.142 0.923 19893 3528 1 8 . 1 1 63 63 GLU H H 63 7.594 7.594 7.820 -0.226 19893 3529 1 8 . 1 1 64 64 LYS N N 64 116.167 116.167 119.509 -3.342 19893 3530 1 8 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.129 -0.052 19893 3531 1 8 . 1 1 64 64 LYS C C 64 177.763 177.763 176.851 0.912 19893 3532 1 8 . 1 1 64 64 LYS H H 64 7.342 7.342 7.687 -0.345 19893 3533 1 8 . 1 1 65 65 ASN N N 65 113.899 113.899 115.857 -1.958 19893 3534 1 8 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.987 -0.032 19893 3535 1 8 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.646 0.207 19893 3536 1 8 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.103 -0.640 19893 3537 1 8 . 1 1 65 65 ASN H H 65 7.480 7.480 7.728 -0.248 19893 3538 1 8 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.691 -0.096 19893 3539 1 8 . 1 1 66 66 PRO C C 66 177.769 177.769 175.237 2.532 19893 3540 1 8 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.209 2.268 19893 3541 1 8 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.875 1.965 19893 3542 1 8 . 1 1 67 67 LYS N N 67 115.189 115.189 120.902 -5.713 19893 3543 1 8 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.474 -0.210 19893 3544 1 8 . 1 1 67 67 LYS C C 67 178.271 178.271 174.519 3.752 19893 3545 1 8 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.306 0.599 19893 3546 1 8 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.861 -2.731 19893 3547 1 8 . 1 1 67 67 LYS H H 67 7.611 7.611 7.835 -0.224 19893 3548 1 8 . 1 1 68 68 ILE N N 68 118.905 118.905 123.157 -4.252 19893 3549 1 8 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.414 -1.244 19893 3550 1 8 . 1 1 68 68 ILE C C 68 177.006 177.006 175.360 1.646 19893 3551 1 8 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.405 3.968 19893 3552 1 8 . 1 1 68 68 ILE CB C 68 39.916 39.916 38.817 1.099 19893 3553 1 8 . 1 1 68 68 ILE H H 68 7.662 7.662 8.606 -0.944 19893 3554 1 8 . 1 1 69 69 ARG N N 69 119.690 119.690 128.188 -8.498 19893 3555 1 8 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.685 0.271 19893 3556 1 8 . 1 1 69 69 ARG C C 69 175.294 175.294 173.890 1.404 19893 3557 1 8 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.784 -0.291 19893 3558 1 8 . 1 1 69 69 ARG CB C 69 31.487 31.487 35.340 -3.853 19893 3559 1 8 . 1 1 69 69 ARG H H 69 9.018 9.018 8.945 0.073 19893 3560 1 8 . 1 1 70 70 GLU N N 70 116.461 116.461 121.749 -5.288 19893 3561 1 8 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.915 0.046 19893 3562 1 8 . 1 1 70 70 GLU C C 70 174.398 174.398 175.086 -0.688 19893 3563 1 8 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.610 -0.073 19893 3564 1 8 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.274 0.576 19893 3565 1 8 . 1 1 70 70 GLU H H 70 7.565 7.565 8.462 -0.897 19893 3566 1 8 . 1 1 71 71 VAL N N 71 116.838 116.838 119.120 -2.282 19893 3567 1 8 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.472 -0.011 19893 3568 1 8 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.414 0.610 19893 3569 1 8 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.716 -0.939 19893 3570 1 8 . 1 1 71 71 VAL H H 71 8.946 8.946 8.588 0.358 19893 3571 1 8 . 1 1 72 72 TYR N N 72 125.566 125.566 121.615 3.951 19893 3572 1 8 . 1 1 72 72 TYR HA H 72 5.433 5.433 5.000 0.433 19893 3573 1 8 . 1 1 72 72 TYR C C 72 176.183 176.183 173.571 2.612 19893 3574 1 8 . 1 1 72 72 TYR CA C 72 57.950 57.950 54.982 2.968 19893 3575 1 8 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.220 0.993 19893 3576 1 8 . 1 1 72 72 TYR H H 72 8.689 8.689 8.289 0.400 19893 3577 1 8 . 1 1 73 73 LEU N N 73 122.757 122.757 124.800 -2.043 19893 3578 1 8 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.654 0.366 19893 3579 1 8 . 1 1 73 73 LEU C C 73 176.134 176.134 175.788 0.346 19893 3580 1 8 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.737 -0.029 19893 3581 1 8 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.800 0.549 19893 3582 1 8 . 1 1 73 73 LEU H H 73 9.202 9.202 8.908 0.294 19893 3583 1 8 . 1 1 74 74 LYS N N 74 124.941 124.941 125.243 -0.302 19893 3584 1 8 . 1 1 74 74 LYS HA H 74 5.336 5.336 4.971 0.365 19893 3585 1 8 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.111 1.362 19893 3586 1 8 . 1 1 74 74 LYS CB C 74 34.986 34.986 33.864 1.122 19893 3587 1 8 . 1 1 74 74 LYS H H 74 9.205 9.205 8.540 0.665 19893 3588 1 8 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.049 1.910 19893 3589 1 8 . 1 1 75 75 PRO C C 75 176.549 176.549 177.056 -0.507 19893 3590 1 8 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.171 1.279 19893 3591 1 8 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.840 0.778 19893 3592 1 8 . 1 1 76 76 ARG N N 76 122.429 122.429 123.721 -1.292 19893 3593 1 8 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.029 0.379 19893 3594 1 8 . 1 1 76 76 ARG C C 76 178.244 178.244 175.112 3.132 19893 3595 1 8 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.937 0.886 19893 3596 1 8 . 1 1 76 76 ARG CB C 76 32.455 32.455 28.491 3.964 19893 3597 1 8 . 1 1 76 76 ARG H H 76 10.063 10.063 7.688 2.375 19893 3598 1 8 . 1 1 77 77 ALA N N 77 127.287 127.287 121.238 6.049 19893 3599 1 8 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.696 -0.555 19893 3600 1 8 . 1 1 77 77 ALA C C 77 179.691 179.691 176.769 2.922 19893 3601 1 8 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.240 4.628 19893 3602 1 8 . 1 1 77 77 ALA CB C 77 19.502 19.502 21.225 -1.723 19893 3603 1 8 . 1 1 77 77 ALA H H 77 9.710 9.710 7.805 1.905 19893 3604 1 8 . 1 1 78 78 VAL N N 78 118.326 118.326 118.057 0.269 19893 3605 1 8 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.133 -0.112 19893 3606 1 8 . 1 1 78 78 VAL CA C 78 63.481 63.481 64.257 -0.776 19893 3607 1 8 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.612 -0.013 19893 3608 1 8 . 1 1 78 78 VAL H H 78 7.954 7.954 7.888 0.066 19893 3609 1 8 . 1 1 79 79 LYS N N 79 125.429 125.429 119.999 5.430 19893 3610 1 8 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.370 4.418 19893 3611 1 8 . 1 1 79 79 LYS H H 79 8.695 8.695 8.148 0.547 19893 3612 1 8 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.982 -0.192 19893 3613 1 8 . 1 1 80 80 ASN C C 80 175.317 175.317 175.688 -0.371 19893 3614 1 8 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.588 0.116 19893 3615 1 8 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.759 -0.905 19893 3616 1 8 . 1 1 81 81 SER N N 81 113.408 113.408 120.761 -7.353 19893 3617 1 8 . 1 1 81 81 SER HA H 81 4.408 4.408 4.729 -0.321 19893 3618 1 8 . 1 1 81 81 SER CA C 81 59.296 59.296 58.629 0.667 19893 3619 1 8 . 1 1 81 81 SER CB C 81 64.171 64.171 64.802 -0.631 19893 3620 1 8 . 1 1 81 81 SER H H 81 7.715 7.715 8.021 -0.306 19893 3621 1 8 . 1 1 82 82 SER N N 82 117.894 117.894 118.271 -0.377 19893 3622 1 8 . 1 1 82 82 SER HA H 82 4.541 4.541 4.793 -0.252 19893 3623 1 8 . 1 1 82 82 SER C C 82 174.196 174.196 172.630 1.566 19893 3624 1 8 . 1 1 82 82 SER CA C 82 58.767 58.767 57.715 1.052 19893 3625 1 8 . 1 1 82 82 SER CB C 82 64.382 64.382 63.717 0.665 19893 3626 1 8 . 1 1 82 82 SER H H 82 8.472 8.472 8.373 0.099 19893 3627 1 8 . 1 1 83 83 VAL N N 83 122.430 122.430 123.050 -0.620 19893 3628 1 8 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.354 0.047 19893 3629 1 8 . 1 1 83 83 VAL C C 83 174.614 174.614 173.711 0.903 19893 3630 1 8 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.815 1.717 19893 3631 1 8 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.994 0.394 19893 3632 1 8 . 1 1 83 83 VAL H H 83 7.686 7.686 7.811 -0.125 19893 3633 1 8 . 1 1 84 84 GLN N N 84 123.141 123.141 126.866 -3.725 19893 3634 1 8 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.129 -0.342 19893 3635 1 8 . 1 1 84 84 GLN C C 84 174.077 174.077 175.056 -0.979 19893 3636 1 8 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.870 0.203 19893 3637 1 8 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.825 -0.102 19893 3638 1 8 . 1 1 84 84 GLN H H 84 8.287 8.287 9.053 -0.766 19893 3639 1 8 . 1 1 85 85 PHE N N 85 121.281 121.281 120.847 0.434 19893 3640 1 8 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.030 0.258 19893 3641 1 8 . 1 1 85 85 PHE C C 85 175.063 175.063 175.028 0.035 19893 3642 1 8 . 1 1 85 85 PHE CA C 85 57.435 57.435 57.178 0.257 19893 3643 1 8 . 1 1 85 85 PHE CB C 85 41.208 41.208 42.863 -1.655 19893 3644 1 8 . 1 1 85 85 PHE H H 85 9.241 9.241 9.715 -0.474 19893 3645 1 8 . 1 1 86 86 HIS N N 86 125.300 125.300 119.457 5.843 19893 3646 1 8 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.143 -0.396 19893 3647 1 8 . 1 1 86 86 HIS C C 86 172.315 172.315 173.704 -1.389 19893 3648 1 8 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.418 -3.065 19893 3649 1 8 . 1 1 86 86 HIS CB C 86 30.085 30.085 33.289 -3.204 19893 3650 1 8 . 1 1 86 86 HIS H H 86 9.340 9.340 8.942 0.398 19893 3651 1 8 . 1 1 87 87 VAL N N 87 127.396 127.396 124.910 2.486 19893 3652 1 8 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.118 -0.895 19893 3653 1 8 . 1 1 87 87 VAL C C 87 173.887 173.887 173.413 0.474 19893 3654 1 8 . 1 1 87 87 VAL CA C 87 61.138 61.138 59.366 1.772 19893 3655 1 8 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.427 -3.451 19893 3656 1 8 . 1 1 87 87 VAL H H 87 8.722 8.722 9.357 -0.635 19893 3657 1 8 . 1 1 88 88 ILE N N 88 127.814 127.814 131.472 -3.658 19893 3658 1 8 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.238 -0.453 19893 3659 1 8 . 1 1 88 88 ILE C C 88 174.542 174.542 175.330 -0.788 19893 3660 1 8 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.505 0.915 19893 3661 1 8 . 1 1 88 88 ILE CB C 88 41.068 41.068 37.570 3.498 19893 3662 1 8 . 1 1 88 88 ILE H H 88 8.605 8.605 8.815 -0.210 19893 3663 1 8 . 1 1 89 89 PHE N N 89 125.156 125.156 129.025 -3.869 19893 3664 1 8 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.089 0.592 19893 3665 1 8 . 1 1 89 89 PHE C C 89 175.138 175.138 175.711 -0.573 19893 3666 1 8 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.508 -2.189 19893 3667 1 8 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.617 1.793 19893 3668 1 8 . 1 1 89 89 PHE H H 89 7.872 7.872 8.625 -0.753 19893 3669 1 8 . 1 1 90 90 ASP N N 90 125.113 125.113 126.597 -1.484 19893 3670 1 8 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.878 -0.067 19893 3671 1 8 . 1 1 90 90 ASP C C 90 176.988 176.988 175.438 1.550 19893 3672 1 8 . 1 1 90 90 ASP CA C 90 54.501 54.501 54.148 0.353 19893 3673 1 8 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.283 1.003 19893 3674 1 8 . 1 1 90 90 ASP H H 90 8.740 8.740 8.823 -0.083 19893 3675 1 8 . 1 1 91 91 GLU N N 91 124.589 124.589 127.327 -2.738 19893 3676 1 8 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.624 -0.250 19893 3677 1 8 . 1 1 91 91 GLU C C 91 175.801 175.801 175.019 0.782 19893 3678 1 8 . 1 1 91 91 GLU CA C 91 57.471 57.471 53.987 3.484 19893 3679 1 8 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.900 1.292 19893 3680 1 8 . 1 1 91 91 GLU H H 91 9.028 9.028 8.041 0.987 19893 3681 1 9 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.627 -0.275 19893 3682 1 9 . 1 1 8 8 PRO C C 8 176.467 176.467 175.855 0.612 19893 3683 1 9 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.681 0.682 19893 3684 1 9 . 1 1 8 8 PRO CB C 8 32.389 32.389 32.322 0.067 19893 3685 1 9 . 1 1 9 9 ALA N N 9 124.419 124.419 121.918 2.501 19893 3686 1 9 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.309 0.098 19893 3687 1 9 . 1 1 9 9 ALA C C 9 177.826 177.826 176.834 0.992 19893 3688 1 9 . 1 1 9 9 ALA CA C 9 52.552 52.552 51.722 0.829 19893 3689 1 9 . 1 1 9 9 ALA CB C 9 19.854 19.854 19.785 0.069 19893 3690 1 9 . 1 1 9 9 ALA H H 9 8.301 8.301 8.081 0.220 19893 3691 1 9 . 1 1 10 10 VAL N N 10 120.778 120.778 121.710 -0.932 19893 3692 1 9 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.155 0.004 19893 3693 1 9 . 1 1 10 10 VAL C C 10 175.233 175.233 174.333 0.900 19893 3694 1 9 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.810 0.323 19893 3695 1 9 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.859 -0.040 19893 3696 1 9 . 1 1 10 10 VAL H H 10 8.095 8.095 8.860 -0.765 19893 3697 1 9 . 1 1 11 11 ASP N N 11 125.133 125.133 127.786 -2.653 19893 3698 1 9 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.086 -0.054 19893 3699 1 9 . 1 1 11 11 ASP C C 11 176.892 176.892 175.265 1.627 19893 3700 1 9 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.139 1.454 19893 3701 1 9 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.882 -0.220 19893 3702 1 9 . 1 1 11 11 ASP H H 11 8.285 8.285 8.523 -0.238 19893 3703 1 9 . 1 1 12 12 VAL N N 12 124.553 124.553 124.597 -0.044 19893 3704 1 9 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.453 -0.328 19893 3705 1 9 . 1 1 12 12 VAL C C 12 175.226 175.226 174.400 0.826 19893 3706 1 9 . 1 1 12 12 VAL CA C 12 62.622 62.622 59.919 2.703 19893 3707 1 9 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.152 -1.824 19893 3708 1 9 . 1 1 12 12 VAL H H 12 8.615 8.615 8.174 0.441 19893 3709 1 9 . 1 1 13 13 GLU N N 13 130.776 130.776 123.693 7.083 19893 3710 1 9 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.343 -0.252 19893 3711 1 9 . 1 1 13 13 GLU C C 13 175.853 175.853 175.347 0.506 19893 3712 1 9 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.285 0.984 19893 3713 1 9 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.526 0.110 19893 3714 1 9 . 1 1 13 13 GLU H H 13 8.796 8.796 8.546 0.250 19893 3715 1 9 . 1 1 14 14 ILE N N 14 128.969 128.969 124.926 4.043 19893 3716 1 9 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.548 -0.175 19893 3717 1 9 . 1 1 14 14 ILE C C 14 174.048 174.048 173.839 0.209 19893 3718 1 9 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.474 -0.695 19893 3719 1 9 . 1 1 14 14 ILE CB C 14 41.986 41.986 40.598 1.388 19893 3720 1 9 . 1 1 14 14 ILE H H 14 8.602 8.602 9.200 -0.598 19893 3721 1 9 . 1 1 15 15 HIS N N 15 124.354 124.354 125.828 -1.474 19893 3722 1 9 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.912 0.342 19893 3723 1 9 . 1 1 15 15 HIS C C 15 174.830 174.830 173.630 1.200 19893 3724 1 9 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.384 1.003 19893 3725 1 9 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.576 -1.073 19893 3726 1 9 . 1 1 15 15 HIS H H 15 8.926 8.926 9.454 -0.528 19893 3727 1 9 . 1 1 16 16 PHE N N 16 117.887 117.887 126.007 -8.120 19893 3728 1 9 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.923 0.678 19893 3729 1 9 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.751 -2.191 19893 3730 1 9 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.255 1.735 19893 3731 1 9 . 1 1 16 16 PHE H H 16 8.758 8.758 8.696 0.062 19893 3732 1 9 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.839 -0.080 19893 3733 1 9 . 1 1 17 17 PRO C C 17 178.833 178.833 176.119 2.714 19893 3734 1 9 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.993 1.065 19893 3735 1 9 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.730 -0.770 19893 3736 1 9 . 1 1 18 18 LEU N N 18 131.092 131.092 125.709 5.383 19893 3737 1 9 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.266 -0.520 19893 3738 1 9 . 1 1 18 18 LEU C C 18 177.657 177.657 176.087 1.570 19893 3739 1 9 . 1 1 18 18 LEU CA C 18 59.042 59.042 54.525 4.517 19893 3740 1 9 . 1 1 18 18 LEU CB C 18 43.774 43.774 39.668 4.106 19893 3741 1 9 . 1 1 18 18 LEU H H 18 9.189 9.189 8.256 0.933 19893 3742 1 9 . 1 1 19 19 LYS N N 19 113.358 113.358 117.809 -4.451 19893 3743 1 9 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.394 -0.479 19893 3744 1 9 . 1 1 19 19 LYS C C 19 179.580 179.580 176.401 3.179 19893 3745 1 9 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.240 3.235 19893 3746 1 9 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.209 -0.533 19893 3747 1 9 . 1 1 19 19 LYS H H 19 8.967 8.967 8.588 0.379 19893 3748 1 9 . 1 1 20 20 ARG N N 20 113.649 113.649 120.112 -6.463 19893 3749 1 9 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.485 -0.133 19893 3750 1 9 . 1 1 20 20 ARG C C 20 179.148 179.148 178.202 0.946 19893 3751 1 9 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.865 0.938 19893 3752 1 9 . 1 1 20 20 ARG CB C 20 31.130 31.130 31.443 -0.313 19893 3753 1 9 . 1 1 20 20 ARG H H 20 7.118 7.118 7.870 -0.752 19893 3754 1 9 . 1 1 21 21 ILE N N 21 117.305 117.305 115.710 1.595 19893 3755 1 9 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.920 0.398 19893 3756 1 9 . 1 1 21 21 ILE C C 21 175.336 175.336 175.729 -0.393 19893 3757 1 9 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.474 -1.883 19893 3758 1 9 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.493 2.524 19893 3759 1 9 . 1 1 21 21 ILE H H 21 7.752 7.752 7.587 0.165 19893 3760 1 9 . 1 1 22 22 ALA N N 22 123.637 123.637 119.595 4.042 19893 3761 1 9 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.256 -0.169 19893 3762 1 9 . 1 1 22 22 ALA C C 22 177.701 177.701 177.147 0.554 19893 3763 1 9 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.405 1.985 19893 3764 1 9 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.608 0.440 19893 3765 1 9 . 1 1 22 22 ALA H H 22 7.759 7.759 7.840 -0.081 19893 3766 1 9 . 1 1 23 23 ALA N N 23 120.182 120.182 121.518 -1.336 19893 3767 1 9 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.286 -0.001 19893 3768 1 9 . 1 1 23 23 ALA C C 23 178.285 178.285 177.724 0.561 19893 3769 1 9 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.666 -0.760 19893 3770 1 9 . 1 1 23 23 ALA CB C 23 20.190 20.190 19.789 0.401 19893 3771 1 9 . 1 1 23 23 ALA H H 23 6.732 6.732 7.710 -0.978 19893 3772 1 9 . 1 1 24 24 GLU N N 24 119.837 119.837 115.743 4.094 19893 3773 1 9 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.286 -0.121 19893 3774 1 9 . 1 1 24 24 GLU C C 24 179.026 179.026 177.217 1.809 19893 3775 1 9 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.912 2.570 19893 3776 1 9 . 1 1 24 24 GLU CB C 24 29.977 29.977 29.667 0.310 19893 3777 1 9 . 1 1 24 24 GLU H H 24 8.830 8.830 8.296 0.534 19893 3778 1 9 . 1 1 25 25 GLY N N 25 107.505 107.505 108.227 -0.722 19893 3779 1 9 . 1 1 25 25 GLY C C 25 176.338 176.338 175.976 0.362 19893 3780 1 9 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.264 -0.187 19893 3781 1 9 . 1 1 25 25 GLY H H 25 8.425 8.425 8.665 -0.240 19893 3782 1 9 . 1 1 26 26 TYR N N 26 119.505 119.505 122.511 -3.006 19893 3783 1 9 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.999 0.257 19893 3784 1 9 . 1 1 26 26 TYR C C 26 176.005 176.005 177.241 -1.236 19893 3785 1 9 . 1 1 26 26 TYR CA C 26 60.714 60.714 62.085 -1.371 19893 3786 1 9 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.918 -0.421 19893 3787 1 9 . 1 1 26 26 TYR H H 26 7.262 7.262 8.169 -0.907 19893 3788 1 9 . 1 1 27 27 ALA N N 27 122.574 122.574 119.159 3.415 19893 3789 1 9 . 1 1 27 27 ALA HA H 27 3.464 3.464 4.031 -0.567 19893 3790 1 9 . 1 1 27 27 ALA C C 27 178.550 178.550 179.781 -1.231 19893 3791 1 9 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.648 -0.476 19893 3792 1 9 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.059 0.016 19893 3793 1 9 . 1 1 27 27 ALA H H 27 6.867 6.867 8.181 -1.314 19893 3794 1 9 . 1 1 28 28 GLU N N 28 114.244 114.244 118.766 -4.522 19893 3795 1 9 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.762 0.577 19893 3796 1 9 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.580 -4.328 19893 3797 1 9 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.247 1.198 19893 3798 1 9 . 1 1 28 28 GLU H H 28 7.285 7.285 7.858 -0.573 19893 3799 1 9 . 1 1 29 29 ASP N N 29 120.177 120.177 118.485 1.692 19893 3800 1 9 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.384 0.073 19893 3801 1 9 . 1 1 29 29 ASP C C 29 177.771 177.771 178.979 -1.208 19893 3802 1 9 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.176 -2.728 19893 3803 1 9 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.128 0.561 19893 3804 1 9 . 1 1 29 29 ASP H H 29 7.083 7.083 8.174 -1.091 19893 3805 1 9 . 1 1 30 30 GLU N N 30 129.724 129.724 119.031 10.693 19893 3806 1 9 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.219 -0.257 19893 3807 1 9 . 1 1 30 30 GLU C C 30 178.184 178.184 178.952 -0.768 19893 3808 1 9 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.940 0.416 19893 3809 1 9 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.228 0.053 19893 3810 1 9 . 1 1 30 30 GLU H H 30 9.081 9.081 7.670 1.411 19893 3811 1 9 . 1 1 31 31 LEU N N 31 120.990 120.990 121.657 -0.667 19893 3812 1 9 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.185 -0.026 19893 3813 1 9 . 1 1 31 31 LEU C C 31 180.910 180.910 178.902 2.008 19893 3814 1 9 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.085 0.995 19893 3815 1 9 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.069 -0.388 19893 3816 1 9 . 1 1 31 31 LEU H H 31 8.323 8.323 7.872 0.451 19893 3817 1 9 . 1 1 32 32 LEU N N 32 116.856 116.856 119.297 -2.441 19893 3818 1 9 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.381 -0.429 19893 3819 1 9 . 1 1 32 32 LEU C C 32 179.086 179.086 179.210 -0.124 19893 3820 1 9 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.363 0.655 19893 3821 1 9 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.899 0.052 19893 3822 1 9 . 1 1 32 32 LEU H H 32 7.225 7.225 8.627 -1.402 19893 3823 1 9 . 1 1 33 33 LEU N N 33 117.769 117.769 121.980 -4.211 19893 3824 1 9 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.920 0.002 19893 3825 1 9 . 1 1 33 33 LEU C C 33 181.207 181.207 177.922 3.285 19893 3826 1 9 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.231 0.579 19893 3827 1 9 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.622 0.490 19893 3828 1 9 . 1 1 33 33 LEU H H 33 6.943 6.943 7.927 -0.984 19893 3829 1 9 . 1 1 34 34 ASN N N 34 118.848 118.848 115.871 2.977 19893 3830 1 9 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.361 0.175 19893 3831 1 9 . 1 1 34 34 ASN C C 34 178.881 178.881 178.011 0.870 19893 3832 1 9 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.316 -0.013 19893 3833 1 9 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.637 -0.057 19893 3834 1 9 . 1 1 34 34 ASN H H 34 8.320 8.320 8.021 0.299 19893 3835 1 9 . 1 1 35 35 GLN N N 35 118.808 118.808 119.147 -0.339 19893 3836 1 9 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.096 0.251 19893 3837 1 9 . 1 1 35 35 GLN C C 35 177.483 177.483 178.197 -0.714 19893 3838 1 9 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.961 -1.685 19893 3839 1 9 . 1 1 35 35 GLN CB C 35 29.878 29.878 29.003 0.875 19893 3840 1 9 . 1 1 35 35 GLN H H 35 8.053 8.053 8.663 -0.610 19893 3841 1 9 . 1 1 36 36 MET N N 36 116.334 116.334 118.102 -1.768 19893 3842 1 9 . 1 1 36 36 MET HA H 36 4.718 4.718 4.383 0.335 19893 3843 1 9 . 1 1 36 36 MET C C 36 177.424 177.424 178.804 -1.380 19893 3844 1 9 . 1 1 36 36 MET CA C 36 54.879 54.879 56.571 -1.692 19893 3845 1 9 . 1 1 36 36 MET CB C 36 31.263 31.263 31.444 -0.181 19893 3846 1 9 . 1 1 36 36 MET H H 36 7.596 7.596 8.021 -0.425 19893 3847 1 9 . 1 1 37 37 GLY N N 37 106.238 106.238 106.134 0.104 19893 3848 1 9 . 1 1 37 37 GLY C C 37 175.666 175.666 175.001 0.665 19893 3849 1 9 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.364 1.210 19893 3850 1 9 . 1 1 37 37 GLY H H 37 7.827 7.827 7.925 -0.098 19893 3851 1 9 . 1 1 38 38 LYS N N 38 120.688 120.688 120.844 -0.156 19893 3852 1 9 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.123 0.290 19893 3853 1 9 . 1 1 38 38 LYS C C 38 176.395 176.395 179.065 -2.670 19893 3854 1 9 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.564 -2.232 19893 3855 1 9 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.910 -0.819 19893 3856 1 9 . 1 1 38 38 LYS H H 38 8.543 8.543 7.565 0.978 19893 3857 1 9 . 1 1 39 39 VAL N N 39 123.143 123.143 115.857 7.286 19893 3858 1 9 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.802 0.275 19893 3859 1 9 . 1 1 39 39 VAL CA C 39 62.829 62.829 64.844 -2.015 19893 3860 1 9 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.179 1.531 19893 3861 1 9 . 1 1 39 39 VAL H H 39 7.711 7.711 8.302 -0.591 19893 3862 1 9 . 1 1 40 40 ASN N N 40 125.464 125.464 115.656 9.808 19893 3863 1 9 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.796 -0.013 19893 3864 1 9 . 1 1 40 40 ASN C C 40 174.870 174.870 174.222 0.648 19893 3865 1 9 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.544 -0.050 19893 3866 1 9 . 1 1 40 40 ASN CB C 40 40.393 40.393 39.426 0.967 19893 3867 1 9 . 1 1 40 40 ASN H H 40 8.692 8.692 8.191 0.501 19893 3868 1 9 . 1 1 41 41 ASP N N 41 116.195 116.195 119.532 -3.337 19893 3869 1 9 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.503 0.630 19893 3870 1 9 . 1 1 41 41 ASP C C 41 177.048 177.048 175.629 1.419 19893 3871 1 9 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.453 0.969 19893 3872 1 9 . 1 1 41 41 ASP CB C 41 43.353 43.353 40.307 3.046 19893 3873 1 9 . 1 1 41 41 ASP H H 41 8.403 8.403 8.676 -0.273 19893 3874 1 9 . 1 1 42 42 THR N N 42 111.139 111.139 110.036 1.103 19893 3875 1 9 . 1 1 42 42 THR HA H 42 4.646 4.646 4.430 0.216 19893 3876 1 9 . 1 1 42 42 THR CA C 42 57.844 57.844 63.215 -5.371 19893 3877 1 9 . 1 1 42 42 THR CB C 42 70.269 70.269 68.428 1.841 19893 3878 1 9 . 1 1 42 42 THR H H 42 7.532 7.532 7.771 -0.239 19893 3879 1 9 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.659 -0.125 19893 3880 1 9 . 1 1 43 43 PRO C C 43 175.550 175.550 176.379 -0.829 19893 3881 1 9 . 1 1 43 43 PRO CA C 43 63.124 63.124 61.865 1.259 19893 3882 1 9 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.215 4.235 19893 3883 1 9 . 1 1 44 44 GLU N N 44 121.809 121.809 122.027 -0.218 19893 3884 1 9 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.257 -0.119 19893 3885 1 9 . 1 1 44 44 GLU C C 44 176.266 176.266 176.041 0.225 19893 3886 1 9 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.407 2.176 19893 3887 1 9 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.459 0.419 19893 3888 1 9 . 1 1 44 44 GLU H H 44 8.515 8.515 8.121 0.394 19893 3889 1 9 . 1 1 45 45 GLU N N 45 122.167 122.167 122.602 -0.435 19893 3890 1 9 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.405 -0.053 19893 3891 1 9 . 1 1 45 45 GLU C C 45 175.468 175.468 177.105 -1.637 19893 3892 1 9 . 1 1 45 45 GLU CA C 45 54.805 54.805 57.257 -2.452 19893 3893 1 9 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.016 2.409 19893 3894 1 9 . 1 1 45 45 GLU H H 45 8.406 8.406 8.895 -0.489 19893 3895 1 9 . 1 1 46 46 GLU N N 46 123.100 123.100 118.122 4.978 19893 3896 1 9 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.600 -0.852 19893 3897 1 9 . 1 1 46 46 GLU C C 46 177.108 177.108 176.150 0.958 19893 3898 1 9 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.097 1.689 19893 3899 1 9 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.916 -2.299 19893 3900 1 9 . 1 1 46 46 GLU H H 46 8.729 8.729 8.397 0.332 19893 3901 1 9 . 1 1 47 47 GLY N N 47 102.684 102.684 108.517 -5.833 19893 3902 1 9 . 1 1 47 47 GLY C C 47 174.278 174.278 173.409 0.869 19893 3903 1 9 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.007 0.965 19893 3904 1 9 . 1 1 47 47 GLY H H 47 8.513 8.513 8.857 -0.344 19893 3905 1 9 . 1 1 48 48 MET N N 48 120.460 120.460 121.341 -0.881 19893 3906 1 9 . 1 1 48 48 MET HA H 48 5.004 5.004 4.991 0.013 19893 3907 1 9 . 1 1 48 48 MET CA C 48 53.307 53.307 52.483 0.824 19893 3908 1 9 . 1 1 48 48 MET CB C 48 35.537 35.537 34.510 1.028 19893 3909 1 9 . 1 1 48 48 MET H H 48 8.056 8.056 8.054 0.002 19893 3910 1 9 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.083 0.068 19893 3911 1 9 . 1 1 50 50 LEU C C 50 179.381 179.381 178.799 0.582 19893 3912 1 9 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.172 1.712 19893 3913 1 9 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.726 0.069 19893 3914 1 9 . 1 1 51 51 ARG N N 51 113.058 113.058 118.607 -5.549 19893 3915 1 9 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.777 0.049 19893 3916 1 9 . 1 1 51 51 ARG C C 51 178.376 178.376 177.906 0.470 19893 3917 1 9 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.050 2.423 19893 3918 1 9 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.667 2.428 19893 3919 1 9 . 1 1 51 51 ARG H H 51 8.076 8.076 8.462 -0.386 19893 3920 1 9 . 1 1 52 52 ALA N N 52 118.144 118.144 123.386 -5.242 19893 3921 1 9 . 1 1 52 52 ALA HA H 52 4.090 4.090 3.999 0.091 19893 3922 1 9 . 1 1 52 52 ALA C C 52 180.673 180.673 179.593 1.080 19893 3923 1 9 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.926 0.045 19893 3924 1 9 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.461 0.457 19893 3925 1 9 . 1 1 52 52 ALA H H 52 7.095 7.095 7.653 -0.558 19893 3926 1 9 . 1 1 53 53 TRP N N 53 121.809 121.809 116.515 5.294 19893 3927 1 9 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.556 -0.247 19893 3928 1 9 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.156 4.777 19893 3929 1 9 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.598 -0.086 19893 3930 1 9 . 1 1 53 53 TRP H H 53 8.608 8.608 7.807 0.801 19893 3931 1 9 . 1 1 54 54 VAL N N 54 120.508 120.508 122.398 -1.890 19893 3932 1 9 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.960 -0.116 19893 3933 1 9 . 1 1 54 54 VAL C C 54 177.917 177.917 178.234 -0.317 19893 3934 1 9 . 1 1 54 54 VAL CA C 54 67.434 67.434 65.881 1.553 19893 3935 1 9 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.258 1.259 19893 3936 1 9 . 1 1 54 54 VAL H H 54 8.352 8.352 6.949 1.403 19893 3937 1 9 . 1 1 55 55 ILE N N 55 118.131 118.131 120.479 -2.348 19893 3938 1 9 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.445 -0.118 19893 3939 1 9 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.831 0.959 19893 3940 1 9 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.239 2.030 19893 3941 1 9 . 1 1 55 55 ILE H H 55 7.574 7.574 8.330 -0.756 19893 3942 1 9 . 1 1 56 56 LYS N N 56 120.517 120.517 120.478 0.039 19893 3943 1 9 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.153 -0.101 19893 3944 1 9 . 1 1 56 56 LYS C C 56 179.574 179.574 179.371 0.203 19893 3945 1 9 . 1 1 56 56 LYS CA C 56 60.575 60.575 58.913 1.662 19893 3946 1 9 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.314 1.817 19893 3947 1 9 . 1 1 56 56 LYS H H 56 8.354 8.354 8.361 -0.007 19893 3948 1 9 . 1 1 57 57 CYS N N 57 116.239 116.239 118.127 -1.888 19893 3949 1 9 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.204 -0.290 19893 3950 1 9 . 1 1 57 57 CYS C C 57 178.985 178.985 176.773 2.212 19893 3951 1 9 . 1 1 57 57 CYS CA C 57 63.432 63.432 61.838 1.594 19893 3952 1 9 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.761 0.828 19893 3953 1 9 . 1 1 57 57 CYS H H 57 8.501 8.501 8.166 0.335 19893 3954 1 9 . 1 1 58 58 ALA N N 58 123.819 123.819 122.941 0.878 19893 3955 1 9 . 1 1 58 58 ALA HA H 58 4.035 4.035 3.978 0.057 19893 3956 1 9 . 1 1 58 58 ALA C C 58 177.753 177.753 178.349 -0.596 19893 3957 1 9 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.470 0.607 19893 3958 1 9 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.127 0.102 19893 3959 1 9 . 1 1 58 58 ALA H H 58 8.605 8.605 8.499 0.106 19893 3960 1 9 . 1 1 59 59 HIS N N 59 115.595 115.595 118.142 -2.547 19893 3961 1 9 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.033 -0.518 19893 3962 1 9 . 1 1 59 59 HIS C C 59 177.271 177.271 177.498 -0.227 19893 3963 1 9 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.912 0.788 19893 3964 1 9 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.921 -2.130 19893 3965 1 9 . 1 1 59 59 HIS H H 59 8.132 8.132 8.606 -0.474 19893 3966 1 9 . 1 1 60 60 GLU N N 60 117.847 117.847 118.369 -0.522 19893 3967 1 9 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.635 0.139 19893 3968 1 9 . 1 1 60 60 GLU C C 60 179.157 179.157 177.554 1.603 19893 3969 1 9 . 1 1 60 60 GLU CA C 60 59.774 59.774 57.738 2.036 19893 3970 1 9 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.328 0.570 19893 3971 1 9 . 1 1 60 60 GLU H H 60 8.623 8.623 8.049 0.574 19893 3972 1 9 . 1 1 61 61 ALA N N 61 122.193 122.193 120.826 1.367 19893 3973 1 9 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.325 -0.262 19893 3974 1 9 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.213 1.121 19893 3975 1 9 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.333 -0.974 19893 3976 1 9 . 1 1 61 61 ALA H H 61 7.891 7.891 7.526 0.365 19893 3977 1 9 . 1 1 62 62 LEU N N 62 120.135 120.135 120.745 -0.610 19893 3978 1 9 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.190 -0.229 19893 3979 1 9 . 1 1 62 62 LEU C C 62 178.813 178.813 178.256 0.557 19893 3980 1 9 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.046 0.473 19893 3981 1 9 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.563 1.121 19893 3982 1 9 . 1 1 62 62 LEU H H 62 7.080 7.080 7.651 -0.571 19893 3983 1 9 . 1 1 63 63 GLU N N 63 118.288 118.288 119.069 -0.781 19893 3984 1 9 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.947 -0.241 19893 3985 1 9 . 1 1 63 63 GLU C C 63 179.261 179.261 177.754 1.507 19893 3986 1 9 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.571 0.625 19893 3987 1 9 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.186 0.879 19893 3988 1 9 . 1 1 63 63 GLU H H 63 7.594 7.594 7.891 -0.297 19893 3989 1 9 . 1 1 64 64 LYS N N 64 116.167 116.167 118.921 -2.754 19893 3990 1 9 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.067 0.010 19893 3991 1 9 . 1 1 64 64 LYS C C 64 177.763 177.763 176.911 0.852 19893 3992 1 9 . 1 1 64 64 LYS H H 64 7.342 7.342 7.696 -0.354 19893 3993 1 9 . 1 1 65 65 ASN N N 65 113.899 113.899 115.839 -1.940 19893 3994 1 9 . 1 1 65 65 ASN HA H 65 4.955 4.955 5.022 -0.067 19893 3995 1 9 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.312 0.541 19893 3996 1 9 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.102 -0.639 19893 3997 1 9 . 1 1 65 65 ASN H H 65 7.480 7.480 7.808 -0.328 19893 3998 1 9 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.735 -0.140 19893 3999 1 9 . 1 1 66 66 PRO C C 66 177.769 177.769 175.336 2.433 19893 4000 1 9 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.388 2.089 19893 4001 1 9 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.648 2.192 19893 4002 1 9 . 1 1 67 67 LYS N N 67 115.189 115.189 122.480 -7.291 19893 4003 1 9 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.429 -0.165 19893 4004 1 9 . 1 1 67 67 LYS C C 67 178.271 178.271 174.067 4.204 19893 4005 1 9 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.184 0.722 19893 4006 1 9 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.837 -2.706 19893 4007 1 9 . 1 1 67 67 LYS H H 67 7.611 7.611 7.749 -0.138 19893 4008 1 9 . 1 1 68 68 ILE N N 68 118.905 118.905 123.396 -4.491 19893 4009 1 9 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.442 -1.272 19893 4010 1 9 . 1 1 68 68 ILE C C 68 177.006 177.006 174.641 2.365 19893 4011 1 9 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.800 3.573 19893 4012 1 9 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.408 0.508 19893 4013 1 9 . 1 1 68 68 ILE H H 68 7.662 7.662 8.406 -0.744 19893 4014 1 9 . 1 1 69 69 ARG N N 69 119.690 119.690 129.555 -9.865 19893 4015 1 9 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.631 0.325 19893 4016 1 9 . 1 1 69 69 ARG C C 69 175.294 175.294 173.755 1.539 19893 4017 1 9 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.666 -0.173 19893 4018 1 9 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.858 -3.371 19893 4019 1 9 . 1 1 69 69 ARG H H 69 9.018 9.018 9.140 -0.122 19893 4020 1 9 . 1 1 70 70 GLU N N 70 116.461 116.461 123.872 -7.411 19893 4021 1 9 . 1 1 70 70 GLU HA H 70 4.961 4.961 5.010 -0.049 19893 4022 1 9 . 1 1 70 70 GLU C C 70 174.398 174.398 174.955 -0.557 19893 4023 1 9 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.477 0.060 19893 4024 1 9 . 1 1 70 70 GLU CB C 70 32.850 32.850 31.687 1.163 19893 4025 1 9 . 1 1 70 70 GLU H H 70 7.565 7.565 8.501 -0.936 19893 4026 1 9 . 1 1 71 71 VAL N N 71 116.838 116.838 120.637 -3.799 19893 4027 1 9 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.310 0.151 19893 4028 1 9 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.286 0.738 19893 4029 1 9 . 1 1 71 71 VAL CB C 71 35.777 35.777 35.956 -0.179 19893 4030 1 9 . 1 1 71 71 VAL H H 71 8.946 8.946 8.542 0.404 19893 4031 1 9 . 1 1 72 72 TYR N N 72 125.566 125.566 120.779 4.787 19893 4032 1 9 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.941 0.492 19893 4033 1 9 . 1 1 72 72 TYR C C 72 176.183 176.183 173.921 2.262 19893 4034 1 9 . 1 1 72 72 TYR CA C 72 57.950 57.950 54.880 3.070 19893 4035 1 9 . 1 1 72 72 TYR CB C 72 40.213 40.213 38.721 1.492 19893 4036 1 9 . 1 1 72 72 TYR H H 72 8.689 8.689 7.951 0.738 19893 4037 1 9 . 1 1 73 73 LEU N N 73 122.757 122.757 125.172 -2.415 19893 4038 1 9 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.728 0.292 19893 4039 1 9 . 1 1 73 73 LEU C C 73 176.134 176.134 175.843 0.291 19893 4040 1 9 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.103 -0.395 19893 4041 1 9 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.106 1.243 19893 4042 1 9 . 1 1 73 73 LEU H H 73 9.202 9.202 8.692 0.510 19893 4043 1 9 . 1 1 74 74 LYS N N 74 124.941 124.941 125.481 -0.540 19893 4044 1 9 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.024 0.312 19893 4045 1 9 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.818 0.655 19893 4046 1 9 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.430 0.556 19893 4047 1 9 . 1 1 74 74 LYS H H 74 9.205 9.205 8.635 0.570 19893 4048 1 9 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.649 1.310 19893 4049 1 9 . 1 1 75 75 PRO C C 75 176.549 176.549 176.923 -0.374 19893 4050 1 9 . 1 1 75 75 PRO CA C 75 63.450 63.450 63.206 0.244 19893 4051 1 9 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.872 0.746 19893 4052 1 9 . 1 1 76 76 ARG N N 76 122.429 122.429 121.925 0.504 19893 4053 1 9 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.105 0.303 19893 4054 1 9 . 1 1 76 76 ARG C C 76 178.244 178.244 174.633 3.611 19893 4055 1 9 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.347 1.476 19893 4056 1 9 . 1 1 76 76 ARG CB C 76 32.455 32.455 28.038 4.417 19893 4057 1 9 . 1 1 76 76 ARG H H 76 10.063 10.063 7.548 2.515 19893 4058 1 9 . 1 1 77 77 ALA N N 77 127.287 127.287 123.364 3.923 19893 4059 1 9 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.554 -0.413 19893 4060 1 9 . 1 1 77 77 ALA C C 77 179.691 179.691 175.983 3.708 19893 4061 1 9 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.407 4.461 19893 4062 1 9 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.838 -1.337 19893 4063 1 9 . 1 1 77 77 ALA H H 77 9.710 9.710 7.758 1.952 19893 4064 1 9 . 1 1 78 78 VAL N N 78 118.326 118.326 117.946 0.380 19893 4065 1 9 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.249 -0.228 19893 4066 1 9 . 1 1 78 78 VAL CA C 78 63.481 63.481 62.132 1.349 19893 4067 1 9 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.704 -0.105 19893 4068 1 9 . 1 1 78 78 VAL H H 78 7.954 7.954 8.033 -0.079 19893 4069 1 9 . 1 1 79 79 LYS N N 79 125.429 125.429 122.424 3.005 19893 4070 1 9 . 1 1 79 79 LYS CA C 79 59.788 59.788 56.157 3.631 19893 4071 1 9 . 1 1 79 79 LYS H H 79 8.695 8.695 8.518 0.177 19893 4072 1 9 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.718 0.072 19893 4073 1 9 . 1 1 80 80 ASN C C 80 175.317 175.317 176.156 -0.839 19893 4074 1 9 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.367 0.337 19893 4075 1 9 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.238 -0.384 19893 4076 1 9 . 1 1 81 81 SER N N 81 113.408 113.408 122.538 -9.130 19893 4077 1 9 . 1 1 81 81 SER HA H 81 4.408 4.408 4.435 -0.027 19893 4078 1 9 . 1 1 81 81 SER CA C 81 59.296 59.296 60.736 -1.440 19893 4079 1 9 . 1 1 81 81 SER CB C 81 64.171 64.171 63.666 0.505 19893 4080 1 9 . 1 1 81 81 SER H H 81 7.715 7.715 8.728 -1.013 19893 4081 1 9 . 1 1 82 82 SER N N 82 117.894 117.894 114.966 2.928 19893 4082 1 9 . 1 1 82 82 SER HA H 82 4.541 4.541 4.631 -0.090 19893 4083 1 9 . 1 1 82 82 SER C C 82 174.196 174.196 172.386 1.810 19893 4084 1 9 . 1 1 82 82 SER CA C 82 58.767 58.767 58.084 0.683 19893 4085 1 9 . 1 1 82 82 SER CB C 82 64.382 64.382 63.600 0.782 19893 4086 1 9 . 1 1 82 82 SER H H 82 8.472 8.472 8.300 0.172 19893 4087 1 9 . 1 1 83 83 VAL N N 83 122.430 122.430 123.314 -0.884 19893 4088 1 9 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.393 0.008 19893 4089 1 9 . 1 1 83 83 VAL C C 83 174.614 174.614 173.862 0.752 19893 4090 1 9 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.643 1.889 19893 4091 1 9 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.829 0.559 19893 4092 1 9 . 1 1 83 83 VAL H H 83 7.686 7.686 7.534 0.152 19893 4093 1 9 . 1 1 84 84 GLN N N 84 123.141 123.141 127.000 -3.859 19893 4094 1 9 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.004 -0.217 19893 4095 1 9 . 1 1 84 84 GLN C C 84 174.077 174.077 174.753 -0.676 19893 4096 1 9 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.476 0.597 19893 4097 1 9 . 1 1 84 84 GLN CB C 84 32.723 32.723 33.228 -0.505 19893 4098 1 9 . 1 1 84 84 GLN H H 84 8.287 8.287 8.812 -0.525 19893 4099 1 9 . 1 1 85 85 PHE N N 85 121.281 121.281 119.149 2.132 19893 4100 1 9 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.247 0.041 19893 4101 1 9 . 1 1 85 85 PHE C C 85 175.063 175.063 175.694 -0.631 19893 4102 1 9 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.846 0.589 19893 4103 1 9 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.908 -2.700 19893 4104 1 9 . 1 1 85 85 PHE H H 85 9.241 9.241 9.230 0.011 19893 4105 1 9 . 1 1 86 86 HIS N N 86 125.300 125.300 120.393 4.907 19893 4106 1 9 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.250 -0.503 19893 4107 1 9 . 1 1 86 86 HIS C C 86 172.315 172.315 173.915 -1.600 19893 4108 1 9 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.391 -3.038 19893 4109 1 9 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.475 -2.390 19893 4110 1 9 . 1 1 86 86 HIS H H 86 9.340 9.340 9.434 -0.094 19893 4111 1 9 . 1 1 87 87 VAL N N 87 127.396 127.396 126.675 0.721 19893 4112 1 9 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.242 -1.019 19893 4113 1 9 . 1 1 87 87 VAL C C 87 173.887 173.887 175.234 -1.347 19893 4114 1 9 . 1 1 87 87 VAL CA C 87 61.138 61.138 60.650 0.488 19893 4115 1 9 . 1 1 87 87 VAL CB C 87 31.976 31.976 33.597 -1.621 19893 4116 1 9 . 1 1 87 87 VAL H H 87 8.722 8.722 9.446 -0.724 19893 4117 1 9 . 1 1 88 88 ILE N N 88 127.814 127.814 128.289 -0.475 19893 4118 1 9 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.162 -0.377 19893 4119 1 9 . 1 1 88 88 ILE C C 88 174.542 174.542 175.477 -0.935 19893 4120 1 9 . 1 1 88 88 ILE CA C 88 60.420 60.420 60.098 0.322 19893 4121 1 9 . 1 1 88 88 ILE CB C 88 41.068 41.068 37.627 3.441 19893 4122 1 9 . 1 1 88 88 ILE H H 88 8.605 8.605 8.836 -0.231 19893 4123 1 9 . 1 1 89 89 PHE N N 89 125.156 125.156 128.884 -3.728 19893 4124 1 9 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.199 0.482 19893 4125 1 9 . 1 1 89 89 PHE C C 89 175.138 175.138 175.706 -0.568 19893 4126 1 9 . 1 1 89 89 PHE CA C 89 53.319 53.319 54.762 -1.443 19893 4127 1 9 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.810 1.600 19893 4128 1 9 . 1 1 89 89 PHE H H 89 7.872 7.872 9.129 -1.257 19893 4129 1 9 . 1 1 90 90 ASP N N 90 125.113 125.113 126.670 -1.557 19893 4130 1 9 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.899 -0.088 19893 4131 1 9 . 1 1 90 90 ASP C C 90 176.988 176.988 175.397 1.591 19893 4132 1 9 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.788 0.713 19893 4133 1 9 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.124 1.162 19893 4134 1 9 . 1 1 90 90 ASP H H 90 8.740 8.740 8.337 0.403 19893 4135 1 9 . 1 1 91 91 GLU N N 91 124.589 124.589 126.669 -2.080 19893 4136 1 9 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.653 -0.279 19893 4137 1 9 . 1 1 91 91 GLU C C 91 175.801 175.801 174.679 1.122 19893 4138 1 9 . 1 1 91 91 GLU CA C 91 57.471 57.471 55.015 2.456 19893 4139 1 9 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.014 1.178 19893 4140 1 9 . 1 1 91 91 GLU H H 91 9.028 9.028 8.228 0.800 19893 4141 1 10 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.467 -0.115 19893 4142 1 10 . 1 1 8 8 PRO C C 8 176.467 176.467 175.124 1.343 19893 4143 1 10 . 1 1 8 8 PRO CA C 8 63.363 63.363 63.039 0.323 19893 4144 1 10 . 1 1 8 8 PRO CB C 8 32.389 32.389 29.803 2.586 19893 4145 1 10 . 1 1 9 9 ALA N N 9 124.419 124.419 123.610 0.809 19893 4146 1 10 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.825 -0.418 19893 4147 1 10 . 1 1 9 9 ALA C C 9 177.826 177.826 177.065 0.761 19893 4148 1 10 . 1 1 9 9 ALA CA C 9 52.552 52.552 50.830 1.722 19893 4149 1 10 . 1 1 9 9 ALA CB C 9 19.854 19.854 20.983 -1.129 19893 4150 1 10 . 1 1 9 9 ALA H H 9 8.301 8.301 8.030 0.271 19893 4151 1 10 . 1 1 10 10 VAL N N 10 120.778 120.778 122.808 -2.030 19893 4152 1 10 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.306 -0.147 19893 4153 1 10 . 1 1 10 10 VAL C C 10 175.233 175.233 174.558 0.675 19893 4154 1 10 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.426 0.707 19893 4155 1 10 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.879 -0.059 19893 4156 1 10 . 1 1 10 10 VAL H H 10 8.095 8.095 9.031 -0.936 19893 4157 1 10 . 1 1 11 11 ASP N N 11 125.133 125.133 126.555 -1.422 19893 4158 1 10 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.072 -0.040 19893 4159 1 10 . 1 1 11 11 ASP C C 11 176.892 176.892 174.819 2.073 19893 4160 1 10 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.539 2.054 19893 4161 1 10 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.306 0.356 19893 4162 1 10 . 1 1 11 11 ASP H H 11 8.285 8.285 8.525 -0.240 19893 4163 1 10 . 1 1 12 12 VAL N N 12 124.553 124.553 121.957 2.596 19893 4164 1 10 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.206 -0.081 19893 4165 1 10 . 1 1 12 12 VAL C C 12 175.226 175.226 174.375 0.851 19893 4166 1 10 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.540 2.082 19893 4167 1 10 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.208 -1.880 19893 4168 1 10 . 1 1 12 12 VAL H H 12 8.615 8.615 8.401 0.214 19893 4169 1 10 . 1 1 13 13 GLU N N 13 130.776 130.776 125.603 5.173 19893 4170 1 10 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.170 -0.079 19893 4171 1 10 . 1 1 13 13 GLU C C 13 175.853 175.853 175.322 0.531 19893 4172 1 10 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.349 0.920 19893 4173 1 10 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.837 -0.201 19893 4174 1 10 . 1 1 13 13 GLU H H 13 8.796 8.796 8.478 0.318 19893 4175 1 10 . 1 1 14 14 ILE N N 14 128.969 128.969 124.774 4.195 19893 4176 1 10 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.581 -0.208 19893 4177 1 10 . 1 1 14 14 ILE C C 14 174.048 174.048 173.981 0.067 19893 4178 1 10 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.491 -0.712 19893 4179 1 10 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.727 0.259 19893 4180 1 10 . 1 1 14 14 ILE H H 14 8.602 8.602 9.030 -0.428 19893 4181 1 10 . 1 1 15 15 HIS N N 15 124.354 124.354 124.604 -0.250 19893 4182 1 10 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.891 0.363 19893 4183 1 10 . 1 1 15 15 HIS C C 15 174.830 174.830 173.768 1.062 19893 4184 1 10 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.515 0.872 19893 4185 1 10 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.846 -1.342 19893 4186 1 10 . 1 1 15 15 HIS H H 15 8.926 8.926 9.501 -0.575 19893 4187 1 10 . 1 1 16 16 PHE N N 16 117.887 117.887 126.033 -8.146 19893 4188 1 10 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.917 0.684 19893 4189 1 10 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.637 -2.077 19893 4190 1 10 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.400 1.590 19893 4191 1 10 . 1 1 16 16 PHE H H 16 8.758 8.758 9.211 -0.453 19893 4192 1 10 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.885 -0.126 19893 4193 1 10 . 1 1 17 17 PRO C C 17 178.833 178.833 175.815 3.018 19893 4194 1 10 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.173 0.885 19893 4195 1 10 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.807 -0.847 19893 4196 1 10 . 1 1 18 18 LEU N N 18 131.092 131.092 123.613 7.479 19893 4197 1 10 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.218 -0.472 19893 4198 1 10 . 1 1 18 18 LEU C C 18 177.657 177.657 176.990 0.667 19893 4199 1 10 . 1 1 18 18 LEU CA C 18 59.042 59.042 54.966 4.076 19893 4200 1 10 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.804 1.970 19893 4201 1 10 . 1 1 18 18 LEU H H 18 9.189 9.189 8.203 0.986 19893 4202 1 10 . 1 1 19 19 LYS N N 19 113.358 113.358 113.791 -0.433 19893 4203 1 10 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.385 -0.470 19893 4204 1 10 . 1 1 19 19 LYS C C 19 179.580 179.580 175.972 3.608 19893 4205 1 10 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.395 3.080 19893 4206 1 10 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.611 0.065 19893 4207 1 10 . 1 1 19 19 LYS H H 19 8.967 8.967 7.932 1.035 19893 4208 1 10 . 1 1 20 20 ARG N N 20 113.649 113.649 118.668 -5.019 19893 4209 1 10 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.483 -0.131 19893 4210 1 10 . 1 1 20 20 ARG C C 20 179.148 179.148 178.106 1.042 19893 4211 1 10 . 1 1 20 20 ARG CA C 20 57.803 57.803 57.097 0.706 19893 4212 1 10 . 1 1 20 20 ARG CB C 20 31.130 31.130 33.036 -1.906 19893 4213 1 10 . 1 1 20 20 ARG H H 20 7.118 7.118 8.030 -0.912 19893 4214 1 10 . 1 1 21 21 ILE N N 21 117.305 117.305 116.779 0.526 19893 4215 1 10 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.970 0.348 19893 4216 1 10 . 1 1 21 21 ILE C C 21 175.336 175.336 175.412 -0.076 19893 4217 1 10 . 1 1 21 21 ILE CA C 21 59.592 59.592 62.079 -2.487 19893 4218 1 10 . 1 1 21 21 ILE CB C 21 39.017 39.017 37.033 1.984 19893 4219 1 10 . 1 1 21 21 ILE H H 21 7.752 7.752 8.032 -0.280 19893 4220 1 10 . 1 1 22 22 ALA N N 22 123.637 123.637 118.366 5.271 19893 4221 1 10 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.288 -0.201 19893 4222 1 10 . 1 1 22 22 ALA C C 22 177.701 177.701 177.062 0.639 19893 4223 1 10 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.476 1.914 19893 4224 1 10 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.134 0.914 19893 4225 1 10 . 1 1 22 22 ALA H H 22 7.759 7.759 7.829 -0.070 19893 4226 1 10 . 1 1 23 23 ALA N N 23 120.182 120.182 122.949 -2.767 19893 4227 1 10 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.160 0.125 19893 4228 1 10 . 1 1 23 23 ALA C C 23 178.285 178.285 177.774 0.511 19893 4229 1 10 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.505 -0.599 19893 4230 1 10 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.046 0.144 19893 4231 1 10 . 1 1 23 23 ALA H H 23 6.732 6.732 7.648 -0.916 19893 4232 1 10 . 1 1 24 24 GLU N N 24 119.837 119.837 116.035 3.802 19893 4233 1 10 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.444 -0.279 19893 4234 1 10 . 1 1 24 24 GLU C C 24 179.026 179.026 177.324 1.702 19893 4235 1 10 . 1 1 24 24 GLU CA C 24 59.482 59.482 55.321 4.161 19893 4236 1 10 . 1 1 24 24 GLU CB C 24 29.977 29.977 31.715 -1.738 19893 4237 1 10 . 1 1 24 24 GLU H H 24 8.830 8.830 8.138 0.692 19893 4238 1 10 . 1 1 25 25 GLY N N 25 107.505 107.505 109.043 -1.538 19893 4239 1 10 . 1 1 25 25 GLY C C 25 176.338 176.338 175.647 0.691 19893 4240 1 10 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.685 -0.608 19893 4241 1 10 . 1 1 25 25 GLY H H 25 8.425 8.425 8.409 0.016 19893 4242 1 10 . 1 1 26 26 TYR N N 26 119.505 119.505 122.261 -2.756 19893 4243 1 10 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.996 0.260 19893 4244 1 10 . 1 1 26 26 TYR C C 26 176.005 176.005 177.809 -1.804 19893 4245 1 10 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.099 -0.385 19893 4246 1 10 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.930 -0.433 19893 4247 1 10 . 1 1 26 26 TYR H H 26 7.262 7.262 7.827 -0.565 19893 4248 1 10 . 1 1 27 27 ALA N N 27 122.574 122.574 119.166 3.408 19893 4249 1 10 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.942 -0.478 19893 4250 1 10 . 1 1 27 27 ALA C C 27 178.550 178.550 179.418 -0.868 19893 4251 1 10 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.850 -0.678 19893 4252 1 10 . 1 1 27 27 ALA CB C 27 18.075 18.075 17.973 0.102 19893 4253 1 10 . 1 1 27 27 ALA H H 27 6.867 6.867 8.015 -1.148 19893 4254 1 10 . 1 1 28 28 GLU N N 28 114.244 114.244 119.263 -5.019 19893 4255 1 10 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.780 0.559 19893 4256 1 10 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.536 -4.284 19893 4257 1 10 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.461 0.984 19893 4258 1 10 . 1 1 28 28 GLU H H 28 7.285 7.285 8.108 -0.823 19893 4259 1 10 . 1 1 29 29 ASP N N 29 120.177 120.177 118.450 1.727 19893 4260 1 10 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.352 0.105 19893 4261 1 10 . 1 1 29 29 ASP C C 29 177.771 177.771 179.000 -1.229 19893 4262 1 10 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.613 -3.165 19893 4263 1 10 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.050 0.639 19893 4264 1 10 . 1 1 29 29 ASP H H 29 7.083 7.083 8.338 -1.255 19893 4265 1 10 . 1 1 30 30 GLU N N 30 129.724 129.724 119.688 10.036 19893 4266 1 10 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.290 -0.328 19893 4267 1 10 . 1 1 30 30 GLU C C 30 178.184 178.184 179.090 -0.906 19893 4268 1 10 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.742 0.614 19893 4269 1 10 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.219 0.062 19893 4270 1 10 . 1 1 30 30 GLU H H 30 9.081 9.081 7.774 1.307 19893 4271 1 10 . 1 1 31 31 LEU N N 31 120.990 120.990 121.300 -0.310 19893 4272 1 10 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.104 0.055 19893 4273 1 10 . 1 1 31 31 LEU C C 31 180.910 180.910 179.246 1.664 19893 4274 1 10 . 1 1 31 31 LEU CA C 31 59.080 59.080 57.982 1.098 19893 4275 1 10 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.236 -0.554 19893 4276 1 10 . 1 1 31 31 LEU H H 31 8.323 8.323 7.893 0.430 19893 4277 1 10 . 1 1 32 32 LEU N N 32 116.856 116.856 119.229 -2.373 19893 4278 1 10 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.356 -0.404 19893 4279 1 10 . 1 1 32 32 LEU C C 32 179.086 179.086 179.332 -0.246 19893 4280 1 10 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.215 0.803 19893 4281 1 10 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.861 0.090 19893 4282 1 10 . 1 1 32 32 LEU H H 32 7.225 7.225 8.583 -1.358 19893 4283 1 10 . 1 1 33 33 LEU N N 33 117.769 117.769 122.009 -4.240 19893 4284 1 10 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.932 -0.010 19893 4285 1 10 . 1 1 33 33 LEU C C 33 181.207 181.207 177.893 3.314 19893 4286 1 10 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.240 0.570 19893 4287 1 10 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.605 0.507 19893 4288 1 10 . 1 1 33 33 LEU H H 33 6.943 6.943 8.158 -1.215 19893 4289 1 10 . 1 1 34 34 ASN N N 34 118.848 118.848 116.165 2.683 19893 4290 1 10 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.375 0.161 19893 4291 1 10 . 1 1 34 34 ASN C C 34 178.881 178.881 177.960 0.921 19893 4292 1 10 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.299 0.004 19893 4293 1 10 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.642 -0.062 19893 4294 1 10 . 1 1 34 34 ASN H H 34 8.320 8.320 7.958 0.362 19893 4295 1 10 . 1 1 35 35 GLN N N 35 118.808 118.808 119.349 -0.541 19893 4296 1 10 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.087 0.260 19893 4297 1 10 . 1 1 35 35 GLN C C 35 177.483 177.483 178.207 -0.724 19893 4298 1 10 . 1 1 35 35 GLN CA C 35 57.275 57.275 59.069 -1.794 19893 4299 1 10 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.952 0.926 19893 4300 1 10 . 1 1 35 35 GLN H H 35 8.053 8.053 8.740 -0.687 19893 4301 1 10 . 1 1 36 36 MET N N 36 116.334 116.334 118.776 -2.442 19893 4302 1 10 . 1 1 36 36 MET HA H 36 4.718 4.718 4.343 0.375 19893 4303 1 10 . 1 1 36 36 MET C C 36 177.424 177.424 178.989 -1.565 19893 4304 1 10 . 1 1 36 36 MET CA C 36 54.879 54.879 57.116 -2.237 19893 4305 1 10 . 1 1 36 36 MET CB C 36 31.263 31.263 31.531 -0.268 19893 4306 1 10 . 1 1 36 36 MET H H 36 7.596 7.596 7.867 -0.271 19893 4307 1 10 . 1 1 37 37 GLY N N 37 106.238 106.238 105.918 0.320 19893 4308 1 10 . 1 1 37 37 GLY C C 37 175.666 175.666 174.953 0.713 19893 4309 1 10 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.546 1.027 19893 4310 1 10 . 1 1 37 37 GLY H H 37 7.827 7.827 8.070 -0.243 19893 4311 1 10 . 1 1 38 38 LYS N N 38 120.688 120.688 120.465 0.223 19893 4312 1 10 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.152 0.261 19893 4313 1 10 . 1 1 38 38 LYS C C 38 176.395 176.395 179.108 -2.713 19893 4314 1 10 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.752 -2.420 19893 4315 1 10 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.980 -0.889 19893 4316 1 10 . 1 1 38 38 LYS H H 38 8.543 8.543 7.547 0.996 19893 4317 1 10 . 1 1 39 39 VAL N N 39 123.143 123.143 114.936 8.207 19893 4318 1 10 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.825 0.252 19893 4319 1 10 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.273 -2.444 19893 4320 1 10 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.938 1.772 19893 4321 1 10 . 1 1 39 39 VAL H H 39 7.711 7.711 8.369 -0.658 19893 4322 1 10 . 1 1 40 40 ASN N N 40 125.464 125.464 116.392 9.072 19893 4323 1 10 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.839 -0.056 19893 4324 1 10 . 1 1 40 40 ASN C C 40 174.870 174.870 173.583 1.287 19893 4325 1 10 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.630 -0.136 19893 4326 1 10 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.458 -0.065 19893 4327 1 10 . 1 1 40 40 ASN H H 40 8.692 8.692 8.020 0.672 19893 4328 1 10 . 1 1 41 41 ASP N N 41 116.195 116.195 119.350 -3.155 19893 4329 1 10 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.476 0.657 19893 4330 1 10 . 1 1 41 41 ASP C C 41 177.048 177.048 175.840 1.208 19893 4331 1 10 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.343 1.079 19893 4332 1 10 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.661 3.692 19893 4333 1 10 . 1 1 41 41 ASP H H 41 8.403 8.403 8.679 -0.276 19893 4334 1 10 . 1 1 42 42 THR N N 42 111.139 111.139 109.726 1.413 19893 4335 1 10 . 1 1 42 42 THR HA H 42 4.646 4.646 4.382 0.264 19893 4336 1 10 . 1 1 42 42 THR CA C 42 57.844 57.844 62.419 -4.575 19893 4337 1 10 . 1 1 42 42 THR CB C 42 70.269 70.269 67.868 2.401 19893 4338 1 10 . 1 1 42 42 THR H H 42 7.532 7.532 7.782 -0.250 19893 4339 1 10 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.598 -0.064 19893 4340 1 10 . 1 1 43 43 PRO C C 43 175.550 175.550 176.397 -0.847 19893 4341 1 10 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.196 0.928 19893 4342 1 10 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.171 4.279 19893 4343 1 10 . 1 1 44 44 GLU N N 44 121.809 121.809 122.544 -0.735 19893 4344 1 10 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.266 -0.128 19893 4345 1 10 . 1 1 44 44 GLU C C 44 176.266 176.266 176.476 -0.210 19893 4346 1 10 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.206 2.377 19893 4347 1 10 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.346 0.532 19893 4348 1 10 . 1 1 44 44 GLU H H 44 8.515 8.515 8.107 0.408 19893 4349 1 10 . 1 1 45 45 GLU N N 45 122.167 122.167 124.516 -2.349 19893 4350 1 10 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.301 0.051 19893 4351 1 10 . 1 1 45 45 GLU C C 45 175.468 175.468 177.074 -1.606 19893 4352 1 10 . 1 1 45 45 GLU CA C 45 54.805 54.805 57.434 -2.629 19893 4353 1 10 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.066 2.359 19893 4354 1 10 . 1 1 45 45 GLU H H 45 8.406 8.406 8.828 -0.422 19893 4355 1 10 . 1 1 46 46 GLU N N 46 123.100 123.100 119.026 4.074 19893 4356 1 10 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.448 -0.700 19893 4357 1 10 . 1 1 46 46 GLU C C 46 177.108 177.108 175.429 1.679 19893 4358 1 10 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.389 1.397 19893 4359 1 10 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.262 -1.645 19893 4360 1 10 . 1 1 46 46 GLU H H 46 8.729 8.729 8.148 0.581 19893 4361 1 10 . 1 1 47 47 GLY N N 47 102.684 102.684 108.936 -6.252 19893 4362 1 10 . 1 1 47 47 GLY C C 47 174.278 174.278 173.454 0.824 19893 4363 1 10 . 1 1 47 47 GLY CA C 47 45.972 45.972 44.985 0.987 19893 4364 1 10 . 1 1 47 47 GLY H H 47 8.513 8.513 9.012 -0.499 19893 4365 1 10 . 1 1 48 48 MET N N 48 120.460 120.460 120.428 0.032 19893 4366 1 10 . 1 1 48 48 MET HA H 48 5.004 5.004 4.845 0.159 19893 4367 1 10 . 1 1 48 48 MET CA C 48 53.307 53.307 52.829 0.478 19893 4368 1 10 . 1 1 48 48 MET CB C 48 35.537 35.537 34.255 1.282 19893 4369 1 10 . 1 1 48 48 MET H H 48 8.056 8.056 8.027 0.029 19893 4370 1 10 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.223 -0.071 19893 4371 1 10 . 1 1 50 50 LEU C C 50 179.381 179.381 178.974 0.407 19893 4372 1 10 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.831 1.053 19893 4373 1 10 . 1 1 50 50 LEU CB C 50 40.795 40.795 41.231 -0.436 19893 4374 1 10 . 1 1 51 51 ARG N N 51 113.058 113.058 118.752 -5.694 19893 4375 1 10 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.780 0.046 19893 4376 1 10 . 1 1 51 51 ARG C C 51 178.376 178.376 177.748 0.628 19893 4377 1 10 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.028 2.446 19893 4378 1 10 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.790 2.305 19893 4379 1 10 . 1 1 51 51 ARG H H 51 8.076 8.076 7.860 0.216 19893 4380 1 10 . 1 1 52 52 ALA N N 52 118.144 118.144 123.018 -4.874 19893 4381 1 10 . 1 1 52 52 ALA HA H 52 4.090 4.090 3.998 0.092 19893 4382 1 10 . 1 1 52 52 ALA C C 52 180.673 180.673 179.598 1.075 19893 4383 1 10 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.962 0.009 19893 4384 1 10 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.520 0.398 19893 4385 1 10 . 1 1 52 52 ALA H H 52 7.095 7.095 8.346 -1.251 19893 4386 1 10 . 1 1 53 53 TRP N N 53 121.809 121.809 116.500 5.309 19893 4387 1 10 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.572 -0.263 19893 4388 1 10 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.107 4.825 19893 4389 1 10 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.644 -0.132 19893 4390 1 10 . 1 1 53 53 TRP H H 53 8.608 8.608 7.862 0.746 19893 4391 1 10 . 1 1 54 54 VAL N N 54 120.508 120.508 122.757 -2.249 19893 4392 1 10 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.845 -0.001 19893 4393 1 10 . 1 1 54 54 VAL C C 54 177.917 177.917 178.012 -0.095 19893 4394 1 10 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.669 0.765 19893 4395 1 10 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.653 0.864 19893 4396 1 10 . 1 1 54 54 VAL H H 54 8.352 8.352 6.996 1.356 19893 4397 1 10 . 1 1 55 55 ILE N N 55 118.131 118.131 119.274 -1.143 19893 4398 1 10 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.601 -0.274 19893 4399 1 10 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.880 0.910 19893 4400 1 10 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.336 1.933 19893 4401 1 10 . 1 1 55 55 ILE H H 55 7.574 7.574 8.375 -0.801 19893 4402 1 10 . 1 1 56 56 LYS N N 56 120.517 120.517 121.142 -0.625 19893 4403 1 10 . 1 1 56 56 LYS HA H 56 4.052 4.052 3.628 0.424 19893 4404 1 10 . 1 1 56 56 LYS C C 56 179.574 179.574 178.332 1.242 19893 4405 1 10 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.956 0.619 19893 4406 1 10 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.282 0.849 19893 4407 1 10 . 1 1 56 56 LYS H H 56 8.354 8.354 8.063 0.291 19893 4408 1 10 . 1 1 57 57 CYS N N 57 116.239 116.239 117.102 -0.863 19893 4409 1 10 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.051 -0.137 19893 4410 1 10 . 1 1 57 57 CYS C C 57 178.985 178.985 176.783 2.202 19893 4411 1 10 . 1 1 57 57 CYS CA C 57 63.432 63.432 64.019 -0.587 19893 4412 1 10 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.116 0.473 19893 4413 1 10 . 1 1 57 57 CYS H H 57 8.501 8.501 8.524 -0.023 19893 4414 1 10 . 1 1 58 58 ALA N N 58 123.819 123.819 123.109 0.710 19893 4415 1 10 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.265 -0.230 19893 4416 1 10 . 1 1 58 58 ALA C C 58 177.753 177.753 178.702 -0.949 19893 4417 1 10 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.430 0.647 19893 4418 1 10 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.277 -0.048 19893 4419 1 10 . 1 1 58 58 ALA H H 58 8.605 8.605 8.615 -0.010 19893 4420 1 10 . 1 1 59 59 HIS N N 59 115.595 115.595 116.684 -1.089 19893 4421 1 10 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.075 -0.560 19893 4422 1 10 . 1 1 59 59 HIS C C 59 177.271 177.271 177.433 -0.162 19893 4423 1 10 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.084 1.616 19893 4424 1 10 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.582 -1.791 19893 4425 1 10 . 1 1 59 59 HIS H H 59 8.132 8.132 8.296 -0.164 19893 4426 1 10 . 1 1 60 60 GLU N N 60 117.847 117.847 120.484 -2.637 19893 4427 1 10 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.958 -0.184 19893 4428 1 10 . 1 1 60 60 GLU C C 60 179.157 179.157 178.231 0.926 19893 4429 1 10 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.984 0.790 19893 4430 1 10 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.031 0.866 19893 4431 1 10 . 1 1 60 60 GLU H H 60 8.623 8.623 8.064 0.559 19893 4432 1 10 . 1 1 61 61 ALA N N 61 122.193 122.193 119.662 2.531 19893 4433 1 10 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.280 -0.217 19893 4434 1 10 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.449 0.885 19893 4435 1 10 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.338 -0.979 19893 4436 1 10 . 1 1 61 61 ALA H H 61 7.891 7.891 7.915 -0.024 19893 4437 1 10 . 1 1 62 62 LEU N N 62 120.135 120.135 117.984 2.151 19893 4438 1 10 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.154 -0.193 19893 4439 1 10 . 1 1 62 62 LEU C C 62 178.813 178.813 178.698 0.115 19893 4440 1 10 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.128 0.391 19893 4441 1 10 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.577 1.107 19893 4442 1 10 . 1 1 62 62 LEU H H 62 7.080 7.080 7.483 -0.403 19893 4443 1 10 . 1 1 63 63 GLU N N 63 118.288 118.288 119.298 -1.010 19893 4444 1 10 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.974 -0.268 19893 4445 1 10 . 1 1 63 63 GLU C C 63 179.261 179.261 177.649 1.612 19893 4446 1 10 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.932 0.264 19893 4447 1 10 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.059 1.006 19893 4448 1 10 . 1 1 63 63 GLU H H 63 7.594 7.594 8.108 -0.514 19893 4449 1 10 . 1 1 64 64 LYS N N 64 116.167 116.167 117.525 -1.358 19893 4450 1 10 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.236 -0.159 19893 4451 1 10 . 1 1 64 64 LYS C C 64 177.763 177.763 176.828 0.935 19893 4452 1 10 . 1 1 64 64 LYS H H 64 7.342 7.342 7.728 -0.386 19893 4453 1 10 . 1 1 65 65 ASN N N 65 113.899 113.899 118.750 -4.851 19893 4454 1 10 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.952 0.003 19893 4455 1 10 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.476 0.377 19893 4456 1 10 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.676 -0.213 19893 4457 1 10 . 1 1 65 65 ASN H H 65 7.480 7.480 7.783 -0.303 19893 4458 1 10 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.605 -0.010 19893 4459 1 10 . 1 1 66 66 PRO C C 66 177.769 177.769 175.441 2.328 19893 4460 1 10 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.195 2.282 19893 4461 1 10 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.744 2.096 19893 4462 1 10 . 1 1 67 67 LYS N N 67 115.189 115.189 120.631 -5.442 19893 4463 1 10 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.446 -0.182 19893 4464 1 10 . 1 1 67 67 LYS C C 67 178.271 178.271 174.063 4.208 19893 4465 1 10 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.533 0.372 19893 4466 1 10 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.236 -3.105 19893 4467 1 10 . 1 1 67 67 LYS H H 67 7.611 7.611 7.483 0.128 19893 4468 1 10 . 1 1 68 68 ILE N N 68 118.905 118.905 122.695 -3.790 19893 4469 1 10 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.378 -1.208 19893 4470 1 10 . 1 1 68 68 ILE C C 68 177.006 177.006 174.758 2.248 19893 4471 1 10 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.885 3.489 19893 4472 1 10 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.086 0.830 19893 4473 1 10 . 1 1 68 68 ILE H H 68 7.662 7.662 8.498 -0.836 19893 4474 1 10 . 1 1 69 69 ARG N N 69 119.690 119.690 128.993 -9.303 19893 4475 1 10 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.698 0.258 19893 4476 1 10 . 1 1 69 69 ARG C C 69 175.294 175.294 173.750 1.544 19893 4477 1 10 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.169 0.324 19893 4478 1 10 . 1 1 69 69 ARG CB C 69 31.487 31.487 35.301 -3.814 19893 4479 1 10 . 1 1 69 69 ARG H H 69 9.018 9.018 9.088 -0.070 19893 4480 1 10 . 1 1 70 70 GLU N N 70 116.461 116.461 120.202 -3.741 19893 4481 1 10 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.732 0.229 19893 4482 1 10 . 1 1 70 70 GLU C C 70 174.398 174.398 174.943 -0.545 19893 4483 1 10 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.602 -0.065 19893 4484 1 10 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.411 0.438 19893 4485 1 10 . 1 1 70 70 GLU H H 70 7.565 7.565 8.385 -0.820 19893 4486 1 10 . 1 1 71 71 VAL N N 71 116.838 116.838 120.536 -3.698 19893 4487 1 10 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.397 0.064 19893 4488 1 10 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.140 0.884 19893 4489 1 10 . 1 1 71 71 VAL CB C 71 35.777 35.777 35.756 0.021 19893 4490 1 10 . 1 1 71 71 VAL H H 71 8.946 8.946 8.683 0.263 19893 4491 1 10 . 1 1 72 72 TYR N N 72 125.566 125.566 121.479 4.087 19893 4492 1 10 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.924 0.509 19893 4493 1 10 . 1 1 72 72 TYR C C 72 176.183 176.183 175.325 0.858 19893 4494 1 10 . 1 1 72 72 TYR CA C 72 57.950 57.950 57.642 0.308 19893 4495 1 10 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.642 0.571 19893 4496 1 10 . 1 1 72 72 TYR H H 72 8.689 8.689 8.624 0.065 19893 4497 1 10 . 1 1 73 73 LEU N N 73 122.757 122.757 125.839 -3.082 19893 4498 1 10 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.860 0.160 19893 4499 1 10 . 1 1 73 73 LEU C C 73 176.134 176.134 175.745 0.389 19893 4500 1 10 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.960 -0.252 19893 4501 1 10 . 1 1 73 73 LEU CB C 73 46.349 46.349 44.367 1.982 19893 4502 1 10 . 1 1 73 73 LEU H H 73 9.202 9.202 8.892 0.310 19893 4503 1 10 . 1 1 74 74 LYS N N 74 124.941 124.941 125.069 -0.128 19893 4504 1 10 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.045 0.291 19893 4505 1 10 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.353 1.119 19893 4506 1 10 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.352 0.633 19893 4507 1 10 . 1 1 74 74 LYS H H 74 9.205 9.205 8.842 0.363 19893 4508 1 10 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.922 1.037 19893 4509 1 10 . 1 1 75 75 PRO C C 75 176.549 176.549 177.091 -0.542 19893 4510 1 10 . 1 1 75 75 PRO CA C 75 63.450 63.450 63.142 0.308 19893 4511 1 10 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.829 0.789 19893 4512 1 10 . 1 1 76 76 ARG N N 76 122.429 122.429 122.971 -0.542 19893 4513 1 10 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.175 0.233 19893 4514 1 10 . 1 1 76 76 ARG C C 76 178.244 178.244 174.975 3.269 19893 4515 1 10 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.352 1.471 19893 4516 1 10 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.863 4.592 19893 4517 1 10 . 1 1 76 76 ARG H H 76 10.063 10.063 7.832 2.231 19893 4518 1 10 . 1 1 77 77 ALA N N 77 127.287 127.287 123.962 3.325 19893 4519 1 10 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.356 -0.215 19893 4520 1 10 . 1 1 77 77 ALA C C 77 179.691 179.691 176.881 2.810 19893 4521 1 10 . 1 1 77 77 ALA CA C 77 54.868 54.868 52.235 2.633 19893 4522 1 10 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.022 -0.520 19893 4523 1 10 . 1 1 77 77 ALA H H 77 9.710 9.710 7.817 1.893 19893 4524 1 10 . 1 1 78 78 VAL N N 78 118.326 118.326 116.629 1.697 19893 4525 1 10 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.182 -0.161 19893 4526 1 10 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.914 -0.434 19893 4527 1 10 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.382 0.217 19893 4528 1 10 . 1 1 78 78 VAL H H 78 7.954 7.954 7.854 0.100 19893 4529 1 10 . 1 1 79 79 LYS N N 79 125.429 125.429 122.726 2.703 19893 4530 1 10 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.503 4.285 19893 4531 1 10 . 1 1 79 79 LYS H H 79 8.695 8.695 8.195 0.500 19893 4532 1 10 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.870 -0.080 19893 4533 1 10 . 1 1 80 80 ASN C C 80 175.317 175.317 173.897 1.420 19893 4534 1 10 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.310 0.394 19893 4535 1 10 . 1 1 80 80 ASN CB C 80 38.854 38.854 40.471 -1.617 19893 4536 1 10 . 1 1 81 81 SER N N 81 113.408 113.408 121.197 -7.789 19893 4537 1 10 . 1 1 81 81 SER HA H 81 4.408 4.408 4.743 -0.335 19893 4538 1 10 . 1 1 81 81 SER CA C 81 59.296 59.296 58.618 0.678 19893 4539 1 10 . 1 1 81 81 SER CB C 81 64.171 64.171 62.349 1.822 19893 4540 1 10 . 1 1 81 81 SER H H 81 7.715 7.715 9.003 -1.288 19893 4541 1 10 . 1 1 82 82 SER N N 82 117.894 117.894 114.370 3.524 19893 4542 1 10 . 1 1 82 82 SER HA H 82 4.541 4.541 4.648 -0.107 19893 4543 1 10 . 1 1 82 82 SER C C 82 174.196 174.196 172.606 1.590 19893 4544 1 10 . 1 1 82 82 SER CA C 82 58.767 58.767 58.539 0.228 19893 4545 1 10 . 1 1 82 82 SER CB C 82 64.382 64.382 64.834 -0.452 19893 4546 1 10 . 1 1 82 82 SER H H 82 8.472 8.472 8.170 0.302 19893 4547 1 10 . 1 1 83 83 VAL N N 83 122.430 122.430 123.551 -1.121 19893 4548 1 10 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.439 -0.038 19893 4549 1 10 . 1 1 83 83 VAL C C 83 174.614 174.614 173.831 0.783 19893 4550 1 10 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.633 1.899 19893 4551 1 10 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.343 1.045 19893 4552 1 10 . 1 1 83 83 VAL H H 83 7.686 7.686 7.605 0.081 19893 4553 1 10 . 1 1 84 84 GLN N N 84 123.141 123.141 126.425 -3.284 19893 4554 1 10 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.007 -0.220 19893 4555 1 10 . 1 1 84 84 GLN C C 84 174.077 174.077 174.813 -0.736 19893 4556 1 10 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.794 0.279 19893 4557 1 10 . 1 1 84 84 GLN CB C 84 32.723 32.723 33.173 -0.450 19893 4558 1 10 . 1 1 84 84 GLN H H 84 8.287 8.287 8.753 -0.466 19893 4559 1 10 . 1 1 85 85 PHE N N 85 121.281 121.281 120.296 0.985 19893 4560 1 10 . 1 1 85 85 PHE HA H 85 5.288 5.288 4.952 0.336 19893 4561 1 10 . 1 1 85 85 PHE C C 85 175.063 175.063 175.008 0.055 19893 4562 1 10 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.821 0.614 19893 4563 1 10 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.132 -1.924 19893 4564 1 10 . 1 1 85 85 PHE H H 85 9.241 9.241 9.648 -0.407 19893 4565 1 10 . 1 1 86 86 HIS N N 86 125.300 125.300 122.727 2.573 19893 4566 1 10 . 1 1 86 86 HIS HA H 86 4.747 4.747 4.855 -0.108 19893 4567 1 10 . 1 1 86 86 HIS C C 86 172.315 172.315 172.932 -0.617 19893 4568 1 10 . 1 1 86 86 HIS CA C 86 52.353 52.353 54.948 -2.595 19893 4569 1 10 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.491 -2.406 19893 4570 1 10 . 1 1 86 86 HIS H H 86 9.340 9.340 8.777 0.563 19893 4571 1 10 . 1 1 87 87 VAL N N 87 127.396 127.396 128.410 -1.014 19893 4572 1 10 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.090 -0.867 19893 4573 1 10 . 1 1 87 87 VAL C C 87 173.887 173.887 173.096 0.791 19893 4574 1 10 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.240 2.898 19893 4575 1 10 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.689 -3.713 19893 4576 1 10 . 1 1 87 87 VAL H H 87 8.722 8.722 9.000 -0.278 19893 4577 1 10 . 1 1 88 88 ILE N N 88 127.814 127.814 128.984 -1.170 19893 4578 1 10 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.010 -0.225 19893 4579 1 10 . 1 1 88 88 ILE C C 88 174.542 174.542 174.873 -0.331 19893 4580 1 10 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.844 0.576 19893 4581 1 10 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.090 2.978 19893 4582 1 10 . 1 1 88 88 ILE H H 88 8.605 8.605 8.525 0.080 19893 4583 1 10 . 1 1 89 89 PHE N N 89 125.156 125.156 128.728 -3.572 19893 4584 1 10 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.125 0.556 19893 4585 1 10 . 1 1 89 89 PHE C C 89 175.138 175.138 175.654 -0.516 19893 4586 1 10 . 1 1 89 89 PHE CA C 89 53.319 53.319 54.971 -1.652 19893 4587 1 10 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.537 1.873 19893 4588 1 10 . 1 1 89 89 PHE H H 89 7.872 7.872 9.043 -1.171 19893 4589 1 10 . 1 1 90 90 ASP N N 90 125.113 125.113 125.217 -0.104 19893 4590 1 10 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.890 -0.079 19893 4591 1 10 . 1 1 90 90 ASP C C 90 176.988 176.988 175.085 1.903 19893 4592 1 10 . 1 1 90 90 ASP CA C 90 54.501 54.501 54.207 0.294 19893 4593 1 10 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.263 1.023 19893 4594 1 10 . 1 1 90 90 ASP H H 90 8.740 8.740 8.956 -0.216 19893 4595 1 10 . 1 1 91 91 GLU N N 91 124.589 124.589 127.297 -2.708 19893 4596 1 10 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.565 -0.191 19893 4597 1 10 . 1 1 91 91 GLU C C 91 175.801 175.801 174.679 1.122 19893 4598 1 10 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.031 3.440 19893 4599 1 10 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.871 1.321 19893 4600 1 10 . 1 1 91 91 GLU H H 91 9.028 9.028 8.068 0.960 19893 4601 1 11 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.601 -0.249 19893 4602 1 11 . 1 1 8 8 PRO C C 8 176.467 176.467 175.799 0.668 19893 4603 1 11 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.487 0.876 19893 4604 1 11 . 1 1 8 8 PRO CB C 8 32.389 32.389 31.376 1.013 19893 4605 1 11 . 1 1 9 9 ALA N N 9 124.419 124.419 122.026 2.393 19893 4606 1 11 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.847 -0.440 19893 4607 1 11 . 1 1 9 9 ALA C C 9 177.826 177.826 177.099 0.727 19893 4608 1 11 . 1 1 9 9 ALA CA C 9 52.552 52.552 50.929 1.623 19893 4609 1 11 . 1 1 9 9 ALA CB C 9 19.854 19.854 20.518 -0.664 19893 4610 1 11 . 1 1 9 9 ALA H H 9 8.301 8.301 7.292 1.009 19893 4611 1 11 . 1 1 10 10 VAL N N 10 120.778 120.778 123.328 -2.550 19893 4612 1 11 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.225 -0.066 19893 4613 1 11 . 1 1 10 10 VAL C C 10 175.233 175.233 174.201 1.032 19893 4614 1 11 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.757 0.376 19893 4615 1 11 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.748 0.071 19893 4616 1 11 . 1 1 10 10 VAL H H 10 8.095 8.095 9.032 -0.937 19893 4617 1 11 . 1 1 11 11 ASP N N 11 125.133 125.133 128.297 -3.164 19893 4618 1 11 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.248 -0.216 19893 4619 1 11 . 1 1 11 11 ASP C C 11 176.892 176.892 175.315 1.577 19893 4620 1 11 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.844 1.748 19893 4621 1 11 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.593 0.069 19893 4622 1 11 . 1 1 11 11 ASP H H 11 8.285 8.285 8.577 -0.292 19893 4623 1 11 . 1 1 12 12 VAL N N 12 124.553 124.553 125.432 -0.879 19893 4624 1 11 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.239 -0.114 19893 4625 1 11 . 1 1 12 12 VAL C C 12 175.226 175.226 174.405 0.821 19893 4626 1 11 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.077 2.545 19893 4627 1 11 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.300 -1.972 19893 4628 1 11 . 1 1 12 12 VAL H H 12 8.615 8.615 8.529 0.086 19893 4629 1 11 . 1 1 13 13 GLU N N 13 130.776 130.776 123.619 7.157 19893 4630 1 11 . 1 1 13 13 GLU HA H 13 5.091 5.091 4.963 0.128 19893 4631 1 11 . 1 1 13 13 GLU C C 13 175.853 175.853 175.054 0.799 19893 4632 1 11 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.335 0.934 19893 4633 1 11 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.983 -0.347 19893 4634 1 11 . 1 1 13 13 GLU H H 13 8.796 8.796 8.392 0.404 19893 4635 1 11 . 1 1 14 14 ILE N N 14 128.969 128.969 124.764 4.205 19893 4636 1 11 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.466 -0.093 19893 4637 1 11 . 1 1 14 14 ILE C C 14 174.048 174.048 173.908 0.140 19893 4638 1 11 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.560 -0.781 19893 4639 1 11 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.551 0.435 19893 4640 1 11 . 1 1 14 14 ILE H H 14 8.602 8.602 9.065 -0.463 19893 4641 1 11 . 1 1 15 15 HIS N N 15 124.354 124.354 125.254 -0.900 19893 4642 1 11 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.649 0.605 19893 4643 1 11 . 1 1 15 15 HIS C C 15 174.830 174.830 173.591 1.239 19893 4644 1 11 . 1 1 15 15 HIS CA C 15 54.387 54.387 54.047 0.340 19893 4645 1 11 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.840 -1.336 19893 4646 1 11 . 1 1 15 15 HIS H H 15 8.926 8.926 9.018 -0.092 19893 4647 1 11 . 1 1 16 16 PHE N N 16 117.887 117.887 125.667 -7.780 19893 4648 1 11 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.938 0.663 19893 4649 1 11 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.903 -2.343 19893 4650 1 11 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.328 1.662 19893 4651 1 11 . 1 1 16 16 PHE H H 16 8.758 8.758 8.878 -0.120 19893 4652 1 11 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.870 -0.111 19893 4653 1 11 . 1 1 17 17 PRO C C 17 178.833 178.833 176.133 2.700 19893 4654 1 11 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.053 1.005 19893 4655 1 11 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.785 -0.825 19893 4656 1 11 . 1 1 18 18 LEU N N 18 131.092 131.092 125.702 5.390 19893 4657 1 11 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.291 -0.545 19893 4658 1 11 . 1 1 18 18 LEU C C 18 177.657 177.657 176.106 1.551 19893 4659 1 11 . 1 1 18 18 LEU CA C 18 59.042 59.042 54.476 4.566 19893 4660 1 11 . 1 1 18 18 LEU CB C 18 43.774 43.774 39.747 4.027 19893 4661 1 11 . 1 1 18 18 LEU H H 18 9.189 9.189 8.311 0.878 19893 4662 1 11 . 1 1 19 19 LYS N N 19 113.358 113.358 117.414 -4.056 19893 4663 1 11 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.381 -0.466 19893 4664 1 11 . 1 1 19 19 LYS C C 19 179.580 179.580 176.677 2.903 19893 4665 1 11 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.251 3.224 19893 4666 1 11 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.481 -0.805 19893 4667 1 11 . 1 1 19 19 LYS H H 19 8.967 8.967 8.613 0.354 19893 4668 1 11 . 1 1 20 20 ARG N N 20 113.649 113.649 120.179 -6.530 19893 4669 1 11 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.489 -0.137 19893 4670 1 11 . 1 1 20 20 ARG C C 20 179.148 179.148 178.201 0.947 19893 4671 1 11 . 1 1 20 20 ARG CA C 20 57.803 57.803 57.951 -0.148 19893 4672 1 11 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.178 -1.048 19893 4673 1 11 . 1 1 20 20 ARG H H 20 7.118 7.118 7.857 -0.739 19893 4674 1 11 . 1 1 21 21 ILE N N 21 117.305 117.305 115.419 1.886 19893 4675 1 11 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.047 0.271 19893 4676 1 11 . 1 1 21 21 ILE C C 21 175.336 175.336 175.503 -0.167 19893 4677 1 11 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.611 -2.019 19893 4678 1 11 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.854 2.163 19893 4679 1 11 . 1 1 21 21 ILE H H 21 7.752 7.752 7.699 0.053 19893 4680 1 11 . 1 1 22 22 ALA N N 22 123.637 123.637 120.021 3.616 19893 4681 1 11 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.327 -0.240 19893 4682 1 11 . 1 1 22 22 ALA C C 22 177.701 177.701 176.736 0.965 19893 4683 1 11 . 1 1 22 22 ALA CA C 22 53.390 53.390 52.156 1.234 19893 4684 1 11 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.235 0.813 19893 4685 1 11 . 1 1 22 22 ALA H H 22 7.759 7.759 7.700 0.059 19893 4686 1 11 . 1 1 23 23 ALA N N 23 120.182 120.182 122.563 -2.381 19893 4687 1 11 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.388 -0.103 19893 4688 1 11 . 1 1 23 23 ALA C C 23 178.285 178.285 177.477 0.808 19893 4689 1 11 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.226 -0.320 19893 4690 1 11 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.081 0.109 19893 4691 1 11 . 1 1 23 23 ALA H H 23 6.732 6.732 7.827 -1.095 19893 4692 1 11 . 1 1 24 24 GLU N N 24 119.837 119.837 116.578 3.259 19893 4693 1 11 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.490 -0.325 19893 4694 1 11 . 1 1 24 24 GLU C C 24 179.026 179.026 177.413 1.613 19893 4695 1 11 . 1 1 24 24 GLU CA C 24 59.482 59.482 55.757 3.725 19893 4696 1 11 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.517 -0.540 19893 4697 1 11 . 1 1 24 24 GLU H H 24 8.830 8.830 7.820 1.010 19893 4698 1 11 . 1 1 25 25 GLY N N 25 107.505 107.505 108.301 -0.796 19893 4699 1 11 . 1 1 25 25 GLY C C 25 176.338 176.338 175.624 0.714 19893 4700 1 11 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.736 -0.659 19893 4701 1 11 . 1 1 25 25 GLY H H 25 8.425 8.425 8.782 -0.357 19893 4702 1 11 . 1 1 26 26 TYR N N 26 119.505 119.505 122.594 -3.089 19893 4703 1 11 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.992 0.264 19893 4704 1 11 . 1 1 26 26 TYR C C 26 176.005 176.005 177.400 -1.395 19893 4705 1 11 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.851 -1.137 19893 4706 1 11 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.894 -0.397 19893 4707 1 11 . 1 1 26 26 TYR H H 26 7.262 7.262 8.055 -0.793 19893 4708 1 11 . 1 1 27 27 ALA N N 27 122.574 122.574 119.215 3.359 19893 4709 1 11 . 1 1 27 27 ALA HA H 27 3.464 3.464 4.007 -0.543 19893 4710 1 11 . 1 1 27 27 ALA C C 27 178.550 178.550 179.412 -0.862 19893 4711 1 11 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.983 -0.811 19893 4712 1 11 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.052 0.023 19893 4713 1 11 . 1 1 27 27 ALA H H 27 6.867 6.867 7.888 -1.021 19893 4714 1 11 . 1 1 28 28 GLU N N 28 114.244 114.244 119.148 -4.904 19893 4715 1 11 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.862 0.477 19893 4716 1 11 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.484 -4.232 19893 4717 1 11 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.608 0.837 19893 4718 1 11 . 1 1 28 28 GLU H H 28 7.285 7.285 8.087 -0.802 19893 4719 1 11 . 1 1 29 29 ASP N N 29 120.177 120.177 118.617 1.560 19893 4720 1 11 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.332 0.125 19893 4721 1 11 . 1 1 29 29 ASP C C 29 177.771 177.771 179.018 -1.247 19893 4722 1 11 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.306 -2.858 19893 4723 1 11 . 1 1 29 29 ASP CB C 29 41.689 41.689 40.942 0.747 19893 4724 1 11 . 1 1 29 29 ASP H H 29 7.083 7.083 8.335 -1.252 19893 4725 1 11 . 1 1 30 30 GLU N N 30 129.724 129.724 119.165 10.559 19893 4726 1 11 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.276 -0.314 19893 4727 1 11 . 1 1 30 30 GLU C C 30 178.184 178.184 179.085 -0.901 19893 4728 1 11 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.796 0.560 19893 4729 1 11 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.261 0.020 19893 4730 1 11 . 1 1 30 30 GLU H H 30 9.081 9.081 7.714 1.367 19893 4731 1 11 . 1 1 31 31 LEU N N 31 120.990 120.990 121.160 -0.170 19893 4732 1 11 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.118 0.041 19893 4733 1 11 . 1 1 31 31 LEU C C 31 180.910 180.910 179.433 1.477 19893 4734 1 11 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.056 1.024 19893 4735 1 11 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.302 -0.620 19893 4736 1 11 . 1 1 31 31 LEU H H 31 8.323 8.323 7.959 0.364 19893 4737 1 11 . 1 1 32 32 LEU N N 32 116.856 116.856 119.346 -2.490 19893 4738 1 11 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.392 -0.440 19893 4739 1 11 . 1 1 32 32 LEU C C 32 179.086 179.086 179.312 -0.226 19893 4740 1 11 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.465 0.553 19893 4741 1 11 . 1 1 32 32 LEU CB C 32 40.951 40.951 41.030 -0.079 19893 4742 1 11 . 1 1 32 32 LEU H H 32 7.225 7.225 8.554 -1.329 19893 4743 1 11 . 1 1 33 33 LEU N N 33 117.769 117.769 121.855 -4.086 19893 4744 1 11 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.901 0.021 19893 4745 1 11 . 1 1 33 33 LEU C C 33 181.207 181.207 177.853 3.354 19893 4746 1 11 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.470 0.340 19893 4747 1 11 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.621 0.491 19893 4748 1 11 . 1 1 33 33 LEU H H 33 6.943 6.943 8.289 -1.345 19893 4749 1 11 . 1 1 34 34 ASN N N 34 118.848 118.848 115.879 2.969 19893 4750 1 11 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.363 0.173 19893 4751 1 11 . 1 1 34 34 ASN C C 34 178.881 178.881 178.013 0.868 19893 4752 1 11 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.282 0.021 19893 4753 1 11 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.646 -0.066 19893 4754 1 11 . 1 1 34 34 ASN H H 34 8.320 8.320 7.991 0.329 19893 4755 1 11 . 1 1 35 35 GLN N N 35 118.808 118.808 119.223 -0.415 19893 4756 1 11 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.057 0.290 19893 4757 1 11 . 1 1 35 35 GLN C C 35 177.483 177.483 178.219 -0.736 19893 4758 1 11 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.954 -1.679 19893 4759 1 11 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.889 0.989 19893 4760 1 11 . 1 1 35 35 GLN H H 35 8.053 8.053 8.690 -0.637 19893 4761 1 11 . 1 1 36 36 MET N N 36 116.334 116.334 118.334 -2.000 19893 4762 1 11 . 1 1 36 36 MET HA H 36 4.718 4.718 4.382 0.336 19893 4763 1 11 . 1 1 36 36 MET C C 36 177.424 177.424 178.794 -1.370 19893 4764 1 11 . 1 1 36 36 MET CA C 36 54.879 54.879 57.035 -2.156 19893 4765 1 11 . 1 1 36 36 MET CB C 36 31.263 31.263 31.386 -0.123 19893 4766 1 11 . 1 1 36 36 MET H H 36 7.596 7.596 8.008 -0.412 19893 4767 1 11 . 1 1 37 37 GLY N N 37 106.238 106.238 106.152 0.086 19893 4768 1 11 . 1 1 37 37 GLY C C 37 175.666 175.666 175.168 0.498 19893 4769 1 11 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.632 0.942 19893 4770 1 11 . 1 1 37 37 GLY H H 37 7.827 7.827 7.934 -0.107 19893 4771 1 11 . 1 1 38 38 LYS N N 38 120.688 120.688 120.903 -0.215 19893 4772 1 11 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.121 0.292 19893 4773 1 11 . 1 1 38 38 LYS C C 38 176.395 176.395 179.072 -2.677 19893 4774 1 11 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.545 -2.213 19893 4775 1 11 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.626 -0.535 19893 4776 1 11 . 1 1 38 38 LYS H H 38 8.543 8.543 7.638 0.905 19893 4777 1 11 . 1 1 39 39 VAL N N 39 123.143 123.143 113.859 9.284 19893 4778 1 11 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.791 0.286 19893 4779 1 11 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.061 -2.232 19893 4780 1 11 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.272 1.438 19893 4781 1 11 . 1 1 39 39 VAL H H 39 7.711 7.711 8.192 -0.481 19893 4782 1 11 . 1 1 40 40 ASN N N 40 125.464 125.464 115.206 10.258 19893 4783 1 11 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.822 -0.039 19893 4784 1 11 . 1 1 40 40 ASN C C 40 174.870 174.870 175.506 -0.636 19893 4785 1 11 . 1 1 40 40 ASN CA C 40 53.494 53.494 54.620 -1.125 19893 4786 1 11 . 1 1 40 40 ASN CB C 40 40.393 40.393 39.959 0.434 19893 4787 1 11 . 1 1 40 40 ASN H H 40 8.692 8.692 8.306 0.386 19893 4788 1 11 . 1 1 41 41 ASP N N 41 116.195 116.195 117.969 -1.774 19893 4789 1 11 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.439 0.694 19893 4790 1 11 . 1 1 41 41 ASP C C 41 177.048 177.048 177.331 -0.283 19893 4791 1 11 . 1 1 41 41 ASP CA C 41 56.422 56.422 57.145 -0.723 19893 4792 1 11 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.833 3.520 19893 4793 1 11 . 1 1 41 41 ASP H H 41 8.403 8.403 8.871 -0.468 19893 4794 1 11 . 1 1 42 42 THR N N 42 111.139 111.139 113.103 -1.964 19893 4795 1 11 . 1 1 42 42 THR HA H 42 4.646 4.646 4.625 0.021 19893 4796 1 11 . 1 1 42 42 THR CA C 42 57.844 57.844 64.572 -6.728 19893 4797 1 11 . 1 1 42 42 THR CB C 42 70.269 70.269 67.865 2.404 19893 4798 1 11 . 1 1 42 42 THR H H 42 7.532 7.532 8.391 -0.859 19893 4799 1 11 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.658 -0.124 19893 4800 1 11 . 1 1 43 43 PRO C C 43 175.550 175.550 175.968 -0.418 19893 4801 1 11 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.754 0.370 19893 4802 1 11 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.665 3.785 19893 4803 1 11 . 1 1 44 44 GLU N N 44 121.809 121.809 124.255 -2.446 19893 4804 1 11 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.454 -0.316 19893 4805 1 11 . 1 1 44 44 GLU C C 44 176.266 176.266 175.954 0.312 19893 4806 1 11 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.902 2.681 19893 4807 1 11 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.840 0.038 19893 4808 1 11 . 1 1 44 44 GLU H H 44 8.515 8.515 8.353 0.162 19893 4809 1 11 . 1 1 45 45 GLU N N 45 122.167 122.167 118.765 3.402 19893 4810 1 11 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.566 -0.214 19893 4811 1 11 . 1 1 45 45 GLU C C 45 175.468 175.468 176.361 -0.893 19893 4812 1 11 . 1 1 45 45 GLU CA C 45 54.805 54.805 56.946 -2.141 19893 4813 1 11 . 1 1 45 45 GLU CB C 45 32.425 32.425 31.553 0.872 19893 4814 1 11 . 1 1 45 45 GLU H H 45 8.406 8.406 8.625 -0.219 19893 4815 1 11 . 1 1 46 46 GLU N N 46 123.100 123.100 120.163 2.937 19893 4816 1 11 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.588 -0.840 19893 4817 1 11 . 1 1 46 46 GLU C C 46 177.108 177.108 174.919 2.189 19893 4818 1 11 . 1 1 46 46 GLU CA C 46 57.786 57.786 55.922 1.864 19893 4819 1 11 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.321 -1.704 19893 4820 1 11 . 1 1 46 46 GLU H H 46 8.729 8.729 8.264 0.465 19893 4821 1 11 . 1 1 47 47 GLY N N 47 102.684 102.684 109.275 -6.591 19893 4822 1 11 . 1 1 47 47 GLY C C 47 174.278 174.278 172.878 1.400 19893 4823 1 11 . 1 1 47 47 GLY CA C 47 45.972 45.972 46.292 -0.320 19893 4824 1 11 . 1 1 47 47 GLY H H 47 8.513 8.513 9.102 -0.589 19893 4825 1 11 . 1 1 48 48 MET N N 48 120.460 120.460 122.030 -1.570 19893 4826 1 11 . 1 1 48 48 MET HA H 48 5.004 5.004 4.998 0.006 19893 4827 1 11 . 1 1 48 48 MET CA C 48 53.307 53.307 52.094 1.212 19893 4828 1 11 . 1 1 48 48 MET CB C 48 35.537 35.537 34.617 0.920 19893 4829 1 11 . 1 1 48 48 MET H H 48 8.056 8.056 8.179 -0.123 19893 4830 1 11 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.007 0.144 19893 4831 1 11 . 1 1 50 50 LEU C C 50 179.381 179.381 178.991 0.390 19893 4832 1 11 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.420 1.464 19893 4833 1 11 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.900 -0.105 19893 4834 1 11 . 1 1 51 51 ARG N N 51 113.058 113.058 119.009 -5.951 19893 4835 1 11 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.825 0.001 19893 4836 1 11 . 1 1 51 51 ARG C C 51 178.376 178.376 177.994 0.382 19893 4837 1 11 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.171 2.302 19893 4838 1 11 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.773 2.321 19893 4839 1 11 . 1 1 51 51 ARG H H 51 8.076 8.076 7.507 0.569 19893 4840 1 11 . 1 1 52 52 ALA N N 52 118.144 118.144 123.092 -4.948 19893 4841 1 11 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.006 0.084 19893 4842 1 11 . 1 1 52 52 ALA C C 52 180.673 180.673 179.613 1.060 19893 4843 1 11 . 1 1 52 52 ALA CA C 52 54.971 54.971 55.076 -0.105 19893 4844 1 11 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.549 0.369 19893 4845 1 11 . 1 1 52 52 ALA H H 52 7.095 7.095 7.653 -0.558 19893 4846 1 11 . 1 1 53 53 TRP N N 53 121.809 121.809 116.890 4.919 19893 4847 1 11 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.561 -0.252 19893 4848 1 11 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.375 4.557 19893 4849 1 11 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.913 -0.401 19893 4850 1 11 . 1 1 53 53 TRP H H 53 8.608 8.608 7.849 0.759 19893 4851 1 11 . 1 1 54 54 VAL N N 54 120.508 120.508 122.268 -1.760 19893 4852 1 11 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.896 -0.052 19893 4853 1 11 . 1 1 54 54 VAL C C 54 177.917 177.917 178.260 -0.343 19893 4854 1 11 . 1 1 54 54 VAL CA C 54 67.434 67.434 65.957 1.477 19893 4855 1 11 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.959 0.558 19893 4856 1 11 . 1 1 54 54 VAL H H 54 8.352 8.352 7.299 1.053 19893 4857 1 11 . 1 1 55 55 ILE N N 55 118.131 118.131 119.327 -1.196 19893 4858 1 11 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.297 0.030 19893 4859 1 11 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.010 1.780 19893 4860 1 11 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.385 1.884 19893 4861 1 11 . 1 1 55 55 ILE H H 55 7.574 7.574 7.801 -0.227 19893 4862 1 11 . 1 1 56 56 LYS N N 56 120.517 120.517 121.766 -1.249 19893 4863 1 11 . 1 1 56 56 LYS HA H 56 4.052 4.052 3.937 0.115 19893 4864 1 11 . 1 1 56 56 LYS C C 56 179.574 179.574 178.619 0.955 19893 4865 1 11 . 1 1 56 56 LYS CA C 56 60.575 60.575 60.105 0.470 19893 4866 1 11 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.321 0.810 19893 4867 1 11 . 1 1 56 56 LYS H H 56 8.354 8.354 8.244 0.110 19893 4868 1 11 . 1 1 57 57 CYS N N 57 116.239 116.239 116.023 0.216 19893 4869 1 11 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.138 -0.224 19893 4870 1 11 . 1 1 57 57 CYS C C 57 178.985 178.985 176.554 2.431 19893 4871 1 11 . 1 1 57 57 CYS CA C 57 63.432 63.432 62.843 0.589 19893 4872 1 11 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.967 0.622 19893 4873 1 11 . 1 1 57 57 CYS H H 57 8.501 8.501 8.323 0.178 19893 4874 1 11 . 1 1 58 58 ALA N N 58 123.819 123.819 124.417 -0.598 19893 4875 1 11 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.480 -0.445 19893 4876 1 11 . 1 1 58 58 ALA C C 58 177.753 177.753 178.757 -1.004 19893 4877 1 11 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.523 0.554 19893 4878 1 11 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.104 0.125 19893 4879 1 11 . 1 1 58 58 ALA H H 58 8.605 8.605 8.044 0.561 19893 4880 1 11 . 1 1 59 59 HIS N N 59 115.595 115.595 115.859 -0.264 19893 4881 1 11 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.173 -0.658 19893 4882 1 11 . 1 1 59 59 HIS C C 59 177.271 177.271 177.255 0.016 19893 4883 1 11 . 1 1 59 59 HIS CA C 59 60.700 60.700 58.576 2.124 19893 4884 1 11 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.599 -1.808 19893 4885 1 11 . 1 1 59 59 HIS H H 59 8.132 8.132 8.460 -0.328 19893 4886 1 11 . 1 1 60 60 GLU N N 60 117.847 117.847 120.275 -2.428 19893 4887 1 11 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.826 -0.052 19893 4888 1 11 . 1 1 60 60 GLU C C 60 179.157 179.157 178.402 0.755 19893 4889 1 11 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.842 0.932 19893 4890 1 11 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.026 0.871 19893 4891 1 11 . 1 1 60 60 GLU H H 60 8.623 8.623 7.851 0.772 19893 4892 1 11 . 1 1 61 61 ALA N N 61 122.193 122.193 120.709 1.484 19893 4893 1 11 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.044 0.019 19893 4894 1 11 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.439 0.895 19893 4895 1 11 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.525 -0.166 19893 4896 1 11 . 1 1 61 61 ALA H H 61 7.891 7.891 7.788 0.103 19893 4897 1 11 . 1 1 62 62 LEU N N 62 120.135 120.135 118.801 1.334 19893 4898 1 11 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.039 -0.078 19893 4899 1 11 . 1 1 62 62 LEU C C 62 178.813 178.813 178.191 0.622 19893 4900 1 11 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.646 0.873 19893 4901 1 11 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.622 1.062 19893 4902 1 11 . 1 1 62 62 LEU H H 62 7.080 7.080 7.277 -0.197 19893 4903 1 11 . 1 1 63 63 GLU N N 63 118.288 118.288 119.030 -0.742 19893 4904 1 11 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.971 -0.265 19893 4905 1 11 . 1 1 63 63 GLU C C 63 179.261 179.261 177.689 1.572 19893 4906 1 11 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.682 0.514 19893 4907 1 11 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.396 0.669 19893 4908 1 11 . 1 1 63 63 GLU H H 63 7.594 7.594 7.970 -0.376 19893 4909 1 11 . 1 1 64 64 LYS N N 64 116.167 116.167 118.858 -2.691 19893 4910 1 11 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.070 0.007 19893 4911 1 11 . 1 1 64 64 LYS C C 64 177.763 177.763 176.818 0.945 19893 4912 1 11 . 1 1 64 64 LYS H H 64 7.342 7.342 7.667 -0.325 19893 4913 1 11 . 1 1 65 65 ASN N N 65 113.899 113.899 116.169 -2.270 19893 4914 1 11 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.982 -0.027 19893 4915 1 11 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.286 0.567 19893 4916 1 11 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.698 -0.235 19893 4917 1 11 . 1 1 65 65 ASN H H 65 7.480 7.480 7.710 -0.230 19893 4918 1 11 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.775 -0.180 19893 4919 1 11 . 1 1 66 66 PRO C C 66 177.769 177.769 175.398 2.371 19893 4920 1 11 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.344 2.133 19893 4921 1 11 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.385 2.455 19893 4922 1 11 . 1 1 67 67 LYS N N 67 115.189 115.189 121.704 -6.515 19893 4923 1 11 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.462 -0.198 19893 4924 1 11 . 1 1 67 67 LYS C C 67 178.271 178.271 174.181 4.090 19893 4925 1 11 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.317 0.589 19893 4926 1 11 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.318 -3.187 19893 4927 1 11 . 1 1 67 67 LYS H H 67 7.611 7.611 7.622 -0.011 19893 4928 1 11 . 1 1 68 68 ILE N N 68 118.905 118.905 122.917 -4.012 19893 4929 1 11 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.255 -1.085 19893 4930 1 11 . 1 1 68 68 ILE C C 68 177.006 177.006 174.600 2.406 19893 4931 1 11 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.810 3.563 19893 4932 1 11 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.309 0.607 19893 4933 1 11 . 1 1 68 68 ILE H H 68 7.662 7.662 8.452 -0.790 19893 4934 1 11 . 1 1 69 69 ARG N N 69 119.690 119.690 130.329 -10.639 19893 4935 1 11 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.691 0.265 19893 4936 1 11 . 1 1 69 69 ARG C C 69 175.294 175.294 173.752 1.542 19893 4937 1 11 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.686 -0.193 19893 4938 1 11 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.427 -2.940 19893 4939 1 11 . 1 1 69 69 ARG H H 69 9.018 9.018 9.229 -0.211 19893 4940 1 11 . 1 1 70 70 GLU N N 70 116.461 116.461 123.630 -7.169 19893 4941 1 11 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.754 0.207 19893 4942 1 11 . 1 1 70 70 GLU C C 70 174.398 174.398 174.639 -0.241 19893 4943 1 11 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.424 0.113 19893 4944 1 11 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.602 0.248 19893 4945 1 11 . 1 1 70 70 GLU H H 70 7.565 7.565 8.507 -0.942 19893 4946 1 11 . 1 1 71 71 VAL N N 71 116.838 116.838 118.943 -2.105 19893 4947 1 11 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.314 0.147 19893 4948 1 11 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.432 0.592 19893 4949 1 11 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.829 -1.052 19893 4950 1 11 . 1 1 71 71 VAL H H 71 8.946 8.946 8.405 0.541 19893 4951 1 11 . 1 1 72 72 TYR N N 72 125.566 125.566 120.911 4.655 19893 4952 1 11 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.874 0.559 19893 4953 1 11 . 1 1 72 72 TYR C C 72 176.183 176.183 173.698 2.485 19893 4954 1 11 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.276 2.674 19893 4955 1 11 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.487 0.726 19893 4956 1 11 . 1 1 72 72 TYR H H 72 8.689 8.689 8.125 0.564 19893 4957 1 11 . 1 1 73 73 LEU N N 73 122.757 122.757 125.121 -2.364 19893 4958 1 11 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.755 0.265 19893 4959 1 11 . 1 1 73 73 LEU C C 73 176.134 176.134 175.637 0.497 19893 4960 1 11 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.872 -0.164 19893 4961 1 11 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.496 0.853 19893 4962 1 11 . 1 1 73 73 LEU H H 73 9.202 9.202 8.956 0.246 19893 4963 1 11 . 1 1 74 74 LYS N N 74 124.941 124.941 125.830 -0.889 19893 4964 1 11 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.101 0.235 19893 4965 1 11 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.714 0.759 19893 4966 1 11 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.640 0.346 19893 4967 1 11 . 1 1 74 74 LYS H H 74 9.205 9.205 8.645 0.560 19893 4968 1 11 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.977 0.982 19893 4969 1 11 . 1 1 75 75 PRO C C 75 176.549 176.549 176.890 -0.341 19893 4970 1 11 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.881 0.569 19893 4971 1 11 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.914 0.704 19893 4972 1 11 . 1 1 76 76 ARG N N 76 122.429 122.429 124.261 -1.832 19893 4973 1 11 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.250 0.158 19893 4974 1 11 . 1 1 76 76 ARG C C 76 178.244 178.244 174.888 3.356 19893 4975 1 11 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.089 1.734 19893 4976 1 11 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.799 4.656 19893 4977 1 11 . 1 1 76 76 ARG H H 76 10.063 10.063 7.997 2.066 19893 4978 1 11 . 1 1 77 77 ALA N N 77 127.287 127.287 122.525 4.762 19893 4979 1 11 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.811 -0.670 19893 4980 1 11 . 1 1 77 77 ALA C C 77 179.691 179.691 177.015 2.676 19893 4981 1 11 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.257 4.611 19893 4982 1 11 . 1 1 77 77 ALA CB C 77 19.502 19.502 21.028 -1.526 19893 4983 1 11 . 1 1 77 77 ALA H H 77 9.710 9.710 7.619 2.091 19893 4984 1 11 . 1 1 78 78 VAL N N 78 118.326 118.326 116.819 1.507 19893 4985 1 11 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.152 -0.131 19893 4986 1 11 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.567 -0.086 19893 4987 1 11 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.665 -0.066 19893 4988 1 11 . 1 1 78 78 VAL H H 78 7.954 7.954 8.119 -0.165 19893 4989 1 11 . 1 1 79 79 LYS N N 79 125.429 125.429 120.939 4.490 19893 4990 1 11 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.352 4.436 19893 4991 1 11 . 1 1 79 79 LYS H H 79 8.695 8.695 8.284 0.411 19893 4992 1 11 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.939 -0.149 19893 4993 1 11 . 1 1 80 80 ASN C C 80 175.317 175.317 175.488 -0.171 19893 4994 1 11 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.567 0.137 19893 4995 1 11 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.547 -0.693 19893 4996 1 11 . 1 1 81 81 SER N N 81 113.408 113.408 120.717 -7.309 19893 4997 1 11 . 1 1 81 81 SER HA H 81 4.408 4.408 4.705 -0.297 19893 4998 1 11 . 1 1 81 81 SER CA C 81 59.296 59.296 57.049 2.247 19893 4999 1 11 . 1 1 81 81 SER CB C 81 64.171 64.171 64.833 -0.662 19893 5000 1 11 . 1 1 81 81 SER H H 81 7.715 7.715 9.687 -1.972 19893 5001 1 11 . 1 1 82 82 SER N N 82 117.894 117.894 118.193 -0.299 19893 5002 1 11 . 1 1 82 82 SER HA H 82 4.541 4.541 4.599 -0.058 19893 5003 1 11 . 1 1 82 82 SER C C 82 174.196 174.196 172.855 1.341 19893 5004 1 11 . 1 1 82 82 SER CA C 82 58.767 58.767 57.749 1.018 19893 5005 1 11 . 1 1 82 82 SER CB C 82 64.382 64.382 61.510 2.872 19893 5006 1 11 . 1 1 82 82 SER H H 82 8.472 8.472 8.744 -0.272 19893 5007 1 11 . 1 1 83 83 VAL N N 83 122.430 122.430 124.563 -2.133 19893 5008 1 11 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.896 -0.495 19893 5009 1 11 . 1 1 83 83 VAL C C 83 174.614 174.614 174.057 0.557 19893 5010 1 11 . 1 1 83 83 VAL CA C 83 62.532 62.532 59.893 2.639 19893 5011 1 11 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.716 0.672 19893 5012 1 11 . 1 1 83 83 VAL H H 83 7.686 7.686 7.932 -0.246 19893 5013 1 11 . 1 1 84 84 GLN N N 84 123.141 123.141 126.727 -3.586 19893 5014 1 11 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.134 -0.347 19893 5015 1 11 . 1 1 84 84 GLN C C 84 174.077 174.077 173.871 0.206 19893 5016 1 11 . 1 1 84 84 GLN CA C 84 55.073 55.073 53.823 1.250 19893 5017 1 11 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.643 0.080 19893 5018 1 11 . 1 1 84 84 GLN H H 84 8.287 8.287 9.149 -0.862 19893 5019 1 11 . 1 1 85 85 PHE N N 85 121.281 121.281 120.797 0.484 19893 5020 1 11 . 1 1 85 85 PHE HA H 85 5.288 5.288 4.974 0.314 19893 5021 1 11 . 1 1 85 85 PHE C C 85 175.063 175.063 174.937 0.126 19893 5022 1 11 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.555 0.880 19893 5023 1 11 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.223 -2.015 19893 5024 1 11 . 1 1 85 85 PHE H H 85 9.241 9.241 9.727 -0.486 19893 5025 1 11 . 1 1 86 86 HIS N N 86 125.300 125.300 121.881 3.419 19893 5026 1 11 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.008 -0.261 19893 5027 1 11 . 1 1 86 86 HIS C C 86 172.315 172.315 173.398 -1.083 19893 5028 1 11 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.222 -2.869 19893 5029 1 11 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.241 -2.156 19893 5030 1 11 . 1 1 86 86 HIS H H 86 9.340 9.340 8.756 0.584 19893 5031 1 11 . 1 1 87 87 VAL N N 87 127.396 127.396 128.706 -1.310 19893 5032 1 11 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.348 -1.125 19893 5033 1 11 . 1 1 87 87 VAL C C 87 173.887 173.887 173.252 0.635 19893 5034 1 11 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.715 2.422 19893 5035 1 11 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.955 -3.979 19893 5036 1 11 . 1 1 87 87 VAL H H 87 8.722 8.722 9.073 -0.351 19893 5037 1 11 . 1 1 88 88 ILE N N 88 127.814 127.814 130.162 -2.348 19893 5038 1 11 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.079 -0.294 19893 5039 1 11 . 1 1 88 88 ILE C C 88 174.542 174.542 174.771 -0.229 19893 5040 1 11 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.701 0.719 19893 5041 1 11 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.248 2.820 19893 5042 1 11 . 1 1 88 88 ILE H H 88 8.605 8.605 8.674 -0.069 19893 5043 1 11 . 1 1 89 89 PHE N N 89 125.156 125.156 128.578 -3.422 19893 5044 1 11 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.281 0.400 19893 5045 1 11 . 1 1 89 89 PHE C C 89 175.138 175.138 175.472 -0.334 19893 5046 1 11 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.059 -1.740 19893 5047 1 11 . 1 1 89 89 PHE CB C 89 39.410 39.410 38.355 1.055 19893 5048 1 11 . 1 1 89 89 PHE H H 89 7.872 7.872 8.523 -0.651 19893 5049 1 11 . 1 1 90 90 ASP N N 90 125.113 125.113 126.352 -1.239 19893 5050 1 11 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.918 -0.107 19893 5051 1 11 . 1 1 90 90 ASP C C 90 176.988 176.988 175.379 1.609 19893 5052 1 11 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.592 0.909 19893 5053 1 11 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.645 0.641 19893 5054 1 11 . 1 1 90 90 ASP H H 90 8.740 8.740 8.450 0.290 19893 5055 1 11 . 1 1 91 91 GLU N N 91 124.589 124.589 127.041 -2.452 19893 5056 1 11 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.619 -0.245 19893 5057 1 11 . 1 1 91 91 GLU C C 91 175.801 175.801 175.620 0.181 19893 5058 1 11 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.219 3.252 19893 5059 1 11 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.377 0.815 19893 5060 1 11 . 1 1 91 91 GLU H H 91 9.028 9.028 8.154 0.874 19893 5061 1 12 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.399 -0.047 19893 5062 1 12 . 1 1 8 8 PRO C C 8 176.467 176.467 176.260 0.207 19893 5063 1 12 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.983 0.380 19893 5064 1 12 . 1 1 8 8 PRO CB C 8 32.389 32.389 30.716 1.673 19893 5065 1 12 . 1 1 9 9 ALA N N 9 124.419 124.419 125.142 -0.723 19893 5066 1 12 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.159 0.248 19893 5067 1 12 . 1 1 9 9 ALA C C 9 177.826 177.826 175.865 1.961 19893 5068 1 12 . 1 1 9 9 ALA CA C 9 52.552 52.552 52.426 0.126 19893 5069 1 12 . 1 1 9 9 ALA CB C 9 19.854 19.854 18.923 0.931 19893 5070 1 12 . 1 1 9 9 ALA H H 9 8.301 8.301 7.972 0.329 19893 5071 1 12 . 1 1 10 10 VAL N N 10 120.778 120.778 123.643 -2.865 19893 5072 1 12 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.264 -0.105 19893 5073 1 12 . 1 1 10 10 VAL C C 10 175.233 175.233 174.161 1.072 19893 5074 1 12 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.859 0.274 19893 5075 1 12 . 1 1 10 10 VAL CB C 10 33.820 33.820 35.541 -1.720 19893 5076 1 12 . 1 1 10 10 VAL H H 10 8.095 8.095 8.733 -0.638 19893 5077 1 12 . 1 1 11 11 ASP N N 11 125.133 125.133 126.375 -1.242 19893 5078 1 12 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.378 -0.346 19893 5079 1 12 . 1 1 11 11 ASP C C 11 176.892 176.892 175.211 1.681 19893 5080 1 12 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.197 2.396 19893 5081 1 12 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.809 -0.147 19893 5082 1 12 . 1 1 11 11 ASP H H 11 8.285 8.285 8.432 -0.147 19893 5083 1 12 . 1 1 12 12 VAL N N 12 124.553 124.553 120.338 4.215 19893 5084 1 12 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.291 -0.166 19893 5085 1 12 . 1 1 12 12 VAL C C 12 175.226 175.226 174.218 1.008 19893 5086 1 12 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.374 2.248 19893 5087 1 12 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.473 -2.145 19893 5088 1 12 . 1 1 12 12 VAL H H 12 8.615 8.615 8.503 0.112 19893 5089 1 12 . 1 1 13 13 GLU N N 13 130.776 130.776 123.659 7.117 19893 5090 1 12 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.202 -0.111 19893 5091 1 12 . 1 1 13 13 GLU C C 13 175.853 175.853 175.123 0.730 19893 5092 1 12 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.312 0.957 19893 5093 1 12 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.942 -0.305 19893 5094 1 12 . 1 1 13 13 GLU H H 13 8.796 8.796 8.431 0.365 19893 5095 1 12 . 1 1 14 14 ILE N N 14 128.969 128.969 123.066 5.903 19893 5096 1 12 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.756 -0.383 19893 5097 1 12 . 1 1 14 14 ILE C C 14 174.048 174.048 174.027 0.021 19893 5098 1 12 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.659 -0.880 19893 5099 1 12 . 1 1 14 14 ILE CB C 14 41.986 41.986 40.921 1.065 19893 5100 1 12 . 1 1 14 14 ILE H H 14 8.602 8.602 9.089 -0.487 19893 5101 1 12 . 1 1 15 15 HIS N N 15 124.354 124.354 125.041 -0.687 19893 5102 1 12 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.940 0.314 19893 5103 1 12 . 1 1 15 15 HIS C C 15 174.830 174.830 173.940 0.890 19893 5104 1 12 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.638 0.749 19893 5105 1 12 . 1 1 15 15 HIS CB C 15 30.504 30.504 32.107 -1.603 19893 5106 1 12 . 1 1 15 15 HIS H H 15 8.926 8.926 9.972 -1.046 19893 5107 1 12 . 1 1 16 16 PHE N N 16 117.887 117.887 126.261 -8.374 19893 5108 1 12 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.971 0.630 19893 5109 1 12 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.560 -2.000 19893 5110 1 12 . 1 1 16 16 PHE CB C 16 42.990 42.990 40.946 2.045 19893 5111 1 12 . 1 1 16 16 PHE H H 16 8.758 8.758 9.353 -0.595 19893 5112 1 12 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.966 -0.207 19893 5113 1 12 . 1 1 17 17 PRO C C 17 178.833 178.833 176.646 2.187 19893 5114 1 12 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.925 1.133 19893 5115 1 12 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.263 -1.303 19893 5116 1 12 . 1 1 18 18 LEU N N 18 131.092 131.092 121.423 9.669 19893 5117 1 12 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.140 -0.394 19893 5118 1 12 . 1 1 18 18 LEU C C 18 177.657 177.657 176.702 0.955 19893 5119 1 12 . 1 1 18 18 LEU CA C 18 59.042 59.042 56.243 2.799 19893 5120 1 12 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.728 2.046 19893 5121 1 12 . 1 1 18 18 LEU H H 18 9.189 9.189 8.752 0.437 19893 5122 1 12 . 1 1 19 19 LYS N N 19 113.358 113.358 114.273 -0.915 19893 5123 1 12 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.327 -0.412 19893 5124 1 12 . 1 1 19 19 LYS C C 19 179.580 179.580 177.025 2.555 19893 5125 1 12 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.347 3.128 19893 5126 1 12 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.311 0.365 19893 5127 1 12 . 1 1 19 19 LYS H H 19 8.967 8.967 7.804 1.163 19893 5128 1 12 . 1 1 20 20 ARG N N 20 113.649 113.649 118.757 -5.108 19893 5129 1 12 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.536 -0.184 19893 5130 1 12 . 1 1 20 20 ARG C C 20 179.148 179.148 178.179 0.969 19893 5131 1 12 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.368 1.435 19893 5132 1 12 . 1 1 20 20 ARG CB C 20 31.130 31.130 31.687 -0.557 19893 5133 1 12 . 1 1 20 20 ARG H H 20 7.118 7.118 8.012 -0.894 19893 5134 1 12 . 1 1 21 21 ILE N N 21 117.305 117.305 116.783 0.522 19893 5135 1 12 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.985 0.333 19893 5136 1 12 . 1 1 21 21 ILE C C 21 175.336 175.336 175.438 -0.102 19893 5137 1 12 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.565 -1.973 19893 5138 1 12 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.804 2.213 19893 5139 1 12 . 1 1 21 21 ILE H H 21 7.752 7.752 7.755 -0.003 19893 5140 1 12 . 1 1 22 22 ALA N N 22 123.637 123.637 119.195 4.442 19893 5141 1 12 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.359 -0.272 19893 5142 1 12 . 1 1 22 22 ALA C C 22 177.701 177.701 176.641 1.060 19893 5143 1 12 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.313 2.076 19893 5144 1 12 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.544 0.504 19893 5145 1 12 . 1 1 22 22 ALA H H 22 7.759 7.759 7.858 -0.099 19893 5146 1 12 . 1 1 23 23 ALA N N 23 120.182 120.182 122.646 -2.464 19893 5147 1 12 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.339 -0.054 19893 5148 1 12 . 1 1 23 23 ALA C C 23 178.285 178.285 177.505 0.780 19893 5149 1 12 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.529 -0.623 19893 5150 1 12 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.867 -0.677 19893 5151 1 12 . 1 1 23 23 ALA H H 23 6.732 6.732 8.064 -1.332 19893 5152 1 12 . 1 1 24 24 GLU N N 24 119.837 119.837 115.284 4.553 19893 5153 1 12 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.349 -0.184 19893 5154 1 12 . 1 1 24 24 GLU C C 24 179.026 179.026 176.899 2.127 19893 5155 1 12 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.365 3.117 19893 5156 1 12 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.694 -0.717 19893 5157 1 12 . 1 1 24 24 GLU H H 24 8.830 8.830 7.670 1.160 19893 5158 1 12 . 1 1 25 25 GLY N N 25 107.505 107.505 109.506 -2.001 19893 5159 1 12 . 1 1 25 25 GLY C C 25 176.338 176.338 175.549 0.789 19893 5160 1 12 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.546 -0.469 19893 5161 1 12 . 1 1 25 25 GLY H H 25 8.425 8.425 8.436 -0.011 19893 5162 1 12 . 1 1 26 26 TYR N N 26 119.505 119.505 122.111 -2.606 19893 5163 1 12 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.984 0.272 19893 5164 1 12 . 1 1 26 26 TYR C C 26 176.005 176.005 177.824 -1.819 19893 5165 1 12 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.193 -0.479 19893 5166 1 12 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.952 -0.455 19893 5167 1 12 . 1 1 26 26 TYR H H 26 7.262 7.262 7.869 -0.607 19893 5168 1 12 . 1 1 27 27 ALA N N 27 122.574 122.574 119.117 3.457 19893 5169 1 12 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.858 -0.394 19893 5170 1 12 . 1 1 27 27 ALA C C 27 178.550 178.550 178.877 -0.327 19893 5171 1 12 . 1 1 27 27 ALA CA C 27 54.172 54.172 55.039 -0.867 19893 5172 1 12 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.008 0.067 19893 5173 1 12 . 1 1 27 27 ALA H H 27 6.867 6.867 7.881 -1.014 19893 5174 1 12 . 1 1 28 28 GLU N N 28 114.244 114.244 119.362 -5.118 19893 5175 1 12 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.737 0.602 19893 5176 1 12 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.500 -4.248 19893 5177 1 12 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.399 1.046 19893 5178 1 12 . 1 1 28 28 GLU H H 28 7.285 7.285 8.159 -0.874 19893 5179 1 12 . 1 1 29 29 ASP N N 29 120.177 120.177 118.671 1.506 19893 5180 1 12 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.326 0.131 19893 5181 1 12 . 1 1 29 29 ASP C C 29 177.771 177.771 179.023 -1.252 19893 5182 1 12 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.456 -3.008 19893 5183 1 12 . 1 1 29 29 ASP CB C 29 41.689 41.689 40.959 0.730 19893 5184 1 12 . 1 1 29 29 ASP H H 29 7.083 7.083 8.156 -1.073 19893 5185 1 12 . 1 1 30 30 GLU N N 30 129.724 129.724 119.711 10.013 19893 5186 1 12 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.284 -0.322 19893 5187 1 12 . 1 1 30 30 GLU C C 30 178.184 178.184 179.128 -0.944 19893 5188 1 12 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.672 0.684 19893 5189 1 12 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.136 0.145 19893 5190 1 12 . 1 1 30 30 GLU H H 30 9.081 9.081 7.797 1.284 19893 5191 1 12 . 1 1 31 31 LEU N N 31 120.990 120.990 121.475 -0.485 19893 5192 1 12 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.077 0.082 19893 5193 1 12 . 1 1 31 31 LEU C C 31 180.910 180.910 179.255 1.655 19893 5194 1 12 . 1 1 31 31 LEU CA C 31 59.080 59.080 57.954 1.126 19893 5195 1 12 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.194 -0.512 19893 5196 1 12 . 1 1 31 31 LEU H H 31 8.323 8.323 7.898 0.425 19893 5197 1 12 . 1 1 32 32 LEU N N 32 116.856 116.856 117.843 -0.987 19893 5198 1 12 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.290 -0.338 19893 5199 1 12 . 1 1 32 32 LEU C C 32 179.086 179.086 179.212 -0.126 19893 5200 1 12 . 1 1 32 32 LEU CA C 32 58.018 58.018 56.240 1.778 19893 5201 1 12 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.109 0.842 19893 5202 1 12 . 1 1 32 32 LEU H H 32 7.225 7.225 8.507 -1.282 19893 5203 1 12 . 1 1 33 33 LEU N N 33 117.769 117.769 122.510 -4.741 19893 5204 1 12 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.965 -0.043 19893 5205 1 12 . 1 1 33 33 LEU C C 33 181.207 181.207 178.083 3.124 19893 5206 1 12 . 1 1 33 33 LEU CA C 33 58.810 58.810 57.995 0.815 19893 5207 1 12 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.665 0.447 19893 5208 1 12 . 1 1 33 33 LEU H H 33 6.943 6.943 7.773 -0.830 19893 5209 1 12 . 1 1 34 34 ASN N N 34 118.848 118.848 116.034 2.814 19893 5210 1 12 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.373 0.163 19893 5211 1 12 . 1 1 34 34 ASN C C 34 178.881 178.881 177.975 0.906 19893 5212 1 12 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.286 0.017 19893 5213 1 12 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.636 -0.056 19893 5214 1 12 . 1 1 34 34 ASN H H 34 8.320 8.320 7.954 0.366 19893 5215 1 12 . 1 1 35 35 GLN N N 35 118.808 118.808 119.302 -0.494 19893 5216 1 12 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.089 0.258 19893 5217 1 12 . 1 1 35 35 GLN C C 35 177.483 177.483 178.261 -0.778 19893 5218 1 12 . 1 1 35 35 GLN CA C 35 57.275 57.275 59.433 -2.158 19893 5219 1 12 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.982 0.896 19893 5220 1 12 . 1 1 35 35 GLN H H 35 8.053 8.053 8.633 -0.580 19893 5221 1 12 . 1 1 36 36 MET N N 36 116.334 116.334 118.366 -2.032 19893 5222 1 12 . 1 1 36 36 MET HA H 36 4.718 4.718 4.416 0.302 19893 5223 1 12 . 1 1 36 36 MET C C 36 177.424 177.424 179.009 -1.585 19893 5224 1 12 . 1 1 36 36 MET CA C 36 54.879 54.879 57.278 -2.399 19893 5225 1 12 . 1 1 36 36 MET CB C 36 31.263 31.263 31.364 -0.101 19893 5226 1 12 . 1 1 36 36 MET H H 36 7.596 7.596 7.610 -0.014 19893 5227 1 12 . 1 1 37 37 GLY N N 37 106.238 106.238 106.325 -0.087 19893 5228 1 12 . 1 1 37 37 GLY C C 37 175.666 175.666 175.052 0.614 19893 5229 1 12 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.336 1.237 19893 5230 1 12 . 1 1 37 37 GLY H H 37 7.827 7.827 8.190 -0.363 19893 5231 1 12 . 1 1 38 38 LYS N N 38 120.688 120.688 120.241 0.447 19893 5232 1 12 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.128 0.285 19893 5233 1 12 . 1 1 38 38 LYS C C 38 176.395 176.395 179.048 -2.653 19893 5234 1 12 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.590 -2.258 19893 5235 1 12 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.851 -0.760 19893 5236 1 12 . 1 1 38 38 LYS H H 38 8.543 8.543 7.598 0.945 19893 5237 1 12 . 1 1 39 39 VAL N N 39 123.143 123.143 115.129 8.014 19893 5238 1 12 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.856 0.221 19893 5239 1 12 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.218 -2.389 19893 5240 1 12 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.090 1.620 19893 5241 1 12 . 1 1 39 39 VAL H H 39 7.711 7.711 8.192 -0.481 19893 5242 1 12 . 1 1 40 40 ASN N N 40 125.464 125.464 116.633 8.831 19893 5243 1 12 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.831 -0.048 19893 5244 1 12 . 1 1 40 40 ASN C C 40 174.870 174.870 174.109 0.761 19893 5245 1 12 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.193 0.301 19893 5246 1 12 . 1 1 40 40 ASN CB C 40 40.393 40.393 39.954 0.439 19893 5247 1 12 . 1 1 40 40 ASN H H 40 8.692 8.692 8.238 0.454 19893 5248 1 12 . 1 1 41 41 ASP N N 41 116.195 116.195 119.571 -3.376 19893 5249 1 12 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.517 0.616 19893 5250 1 12 . 1 1 41 41 ASP C C 41 177.048 177.048 175.576 1.472 19893 5251 1 12 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.487 0.935 19893 5252 1 12 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.873 3.480 19893 5253 1 12 . 1 1 41 41 ASP H H 41 8.403 8.403 8.734 -0.331 19893 5254 1 12 . 1 1 42 42 THR N N 42 111.139 111.139 109.914 1.225 19893 5255 1 12 . 1 1 42 42 THR HA H 42 4.646 4.646 4.440 0.206 19893 5256 1 12 . 1 1 42 42 THR CA C 42 57.844 57.844 62.400 -4.556 19893 5257 1 12 . 1 1 42 42 THR CB C 42 70.269 70.269 68.904 1.365 19893 5258 1 12 . 1 1 42 42 THR H H 42 7.532 7.532 7.741 -0.209 19893 5259 1 12 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.532 0.002 19893 5260 1 12 . 1 1 43 43 PRO C C 43 175.550 175.550 176.131 -0.581 19893 5261 1 12 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.442 0.682 19893 5262 1 12 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.248 4.202 19893 5263 1 12 . 1 1 44 44 GLU N N 44 121.809 121.809 122.164 -0.355 19893 5264 1 12 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.235 -0.097 19893 5265 1 12 . 1 1 44 44 GLU C C 44 176.266 176.266 176.153 0.113 19893 5266 1 12 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.468 2.115 19893 5267 1 12 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.412 0.466 19893 5268 1 12 . 1 1 44 44 GLU H H 44 8.515 8.515 8.228 0.287 19893 5269 1 12 . 1 1 45 45 GLU N N 45 122.167 122.167 122.247 -0.080 19893 5270 1 12 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.507 -0.155 19893 5271 1 12 . 1 1 45 45 GLU C C 45 175.468 175.468 176.672 -1.204 19893 5272 1 12 . 1 1 45 45 GLU CA C 45 54.805 54.805 55.209 -0.404 19893 5273 1 12 . 1 1 45 45 GLU CB C 45 32.425 32.425 31.336 1.089 19893 5274 1 12 . 1 1 45 45 GLU H H 45 8.406 8.406 8.158 0.248 19893 5275 1 12 . 1 1 46 46 GLU N N 46 123.100 123.100 120.295 2.805 19893 5276 1 12 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.224 -0.476 19893 5277 1 12 . 1 1 46 46 GLU C C 46 177.108 177.108 175.859 1.249 19893 5278 1 12 . 1 1 46 46 GLU CA C 46 57.786 57.786 57.025 0.761 19893 5279 1 12 . 1 1 46 46 GLU CB C 46 28.617 28.617 27.233 1.384 19893 5280 1 12 . 1 1 46 46 GLU H H 46 8.729 8.729 8.726 0.003 19893 5281 1 12 . 1 1 47 47 GLY N N 47 102.684 102.684 108.541 -5.857 19893 5282 1 12 . 1 1 47 47 GLY C C 47 174.278 174.278 172.947 1.331 19893 5283 1 12 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.464 0.508 19893 5284 1 12 . 1 1 47 47 GLY H H 47 8.513 8.513 8.184 0.329 19893 5285 1 12 . 1 1 48 48 MET N N 48 120.460 120.460 121.329 -0.869 19893 5286 1 12 . 1 1 48 48 MET HA H 48 5.004 5.004 4.900 0.104 19893 5287 1 12 . 1 1 48 48 MET CA C 48 53.307 53.307 53.152 0.155 19893 5288 1 12 . 1 1 48 48 MET CB C 48 35.537 35.537 33.514 2.023 19893 5289 1 12 . 1 1 48 48 MET H H 48 8.056 8.056 8.043 0.013 19893 5290 1 12 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.206 -0.055 19893 5291 1 12 . 1 1 50 50 LEU C C 50 179.381 179.381 178.681 0.700 19893 5292 1 12 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.400 1.484 19893 5293 1 12 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.867 -0.072 19893 5294 1 12 . 1 1 51 51 ARG N N 51 113.058 113.058 119.494 -6.436 19893 5295 1 12 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.778 0.048 19893 5296 1 12 . 1 1 51 51 ARG C C 51 178.376 178.376 177.617 0.759 19893 5297 1 12 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.149 2.324 19893 5298 1 12 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.655 2.440 19893 5299 1 12 . 1 1 51 51 ARG H H 51 8.076 8.076 8.422 -0.346 19893 5300 1 12 . 1 1 52 52 ALA N N 52 118.144 118.144 123.506 -5.362 19893 5301 1 12 . 1 1 52 52 ALA HA H 52 4.090 4.090 3.952 0.138 19893 5302 1 12 . 1 1 52 52 ALA C C 52 180.673 180.673 179.564 1.109 19893 5303 1 12 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.872 0.099 19893 5304 1 12 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.534 0.384 19893 5305 1 12 . 1 1 52 52 ALA H H 52 7.095 7.095 8.251 -1.156 19893 5306 1 12 . 1 1 53 53 TRP N N 53 121.809 121.809 116.227 5.582 19893 5307 1 12 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.581 -0.272 19893 5308 1 12 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.100 4.832 19893 5309 1 12 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.660 -0.148 19893 5310 1 12 . 1 1 53 53 TRP H H 53 8.608 8.608 7.858 0.750 19893 5311 1 12 . 1 1 54 54 VAL N N 54 120.508 120.508 122.451 -1.943 19893 5312 1 12 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.869 -0.025 19893 5313 1 12 . 1 1 54 54 VAL C C 54 177.917 177.917 178.284 -0.367 19893 5314 1 12 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.199 1.235 19893 5315 1 12 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.343 1.174 19893 5316 1 12 . 1 1 54 54 VAL H H 54 8.352 8.352 6.891 1.461 19893 5317 1 12 . 1 1 55 55 ILE N N 55 118.131 118.131 119.933 -1.802 19893 5318 1 12 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.970 -0.643 19893 5319 1 12 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.882 0.908 19893 5320 1 12 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.500 1.769 19893 5321 1 12 . 1 1 55 55 ILE H H 55 7.574 7.574 8.370 -0.796 19893 5322 1 12 . 1 1 56 56 LYS N N 56 120.517 120.517 121.897 -1.380 19893 5323 1 12 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.140 -0.088 19893 5324 1 12 . 1 1 56 56 LYS C C 56 179.574 179.574 178.957 0.617 19893 5325 1 12 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.438 1.137 19893 5326 1 12 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.810 1.321 19893 5327 1 12 . 1 1 56 56 LYS H H 56 8.354 8.354 8.206 0.148 19893 5328 1 12 . 1 1 57 57 CYS N N 57 116.239 116.239 117.337 -1.098 19893 5329 1 12 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.281 -0.367 19893 5330 1 12 . 1 1 57 57 CYS C C 57 178.985 178.985 177.193 1.792 19893 5331 1 12 . 1 1 57 57 CYS CA C 57 63.432 63.432 62.776 0.656 19893 5332 1 12 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.977 0.612 19893 5333 1 12 . 1 1 57 57 CYS H H 57 8.501 8.501 8.328 0.173 19893 5334 1 12 . 1 1 58 58 ALA N N 58 123.819 123.819 123.637 0.182 19893 5335 1 12 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.033 0.002 19893 5336 1 12 . 1 1 58 58 ALA C C 58 177.753 177.753 178.729 -0.976 19893 5337 1 12 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.531 0.546 19893 5338 1 12 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.002 0.227 19893 5339 1 12 . 1 1 58 58 ALA H H 58 8.605 8.605 8.891 -0.286 19893 5340 1 12 . 1 1 59 59 HIS N N 59 115.595 115.595 118.485 -2.890 19893 5341 1 12 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.079 -0.564 19893 5342 1 12 . 1 1 59 59 HIS C C 59 177.271 177.271 177.542 -0.271 19893 5343 1 12 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.814 0.886 19893 5344 1 12 . 1 1 59 59 HIS CB C 59 27.791 27.791 30.015 -2.224 19893 5345 1 12 . 1 1 59 59 HIS H H 59 8.132 8.132 8.738 -0.606 19893 5346 1 12 . 1 1 60 60 GLU N N 60 117.847 117.847 118.540 -0.693 19893 5347 1 12 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.589 0.185 19893 5348 1 12 . 1 1 60 60 GLU C C 60 179.157 179.157 177.962 1.195 19893 5349 1 12 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.514 1.260 19893 5350 1 12 . 1 1 60 60 GLU CB C 60 29.897 29.897 28.964 0.933 19893 5351 1 12 . 1 1 60 60 GLU H H 60 8.623 8.623 8.159 0.464 19893 5352 1 12 . 1 1 61 61 ALA N N 61 122.193 122.193 120.178 2.015 19893 5353 1 12 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.183 -0.120 19893 5354 1 12 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.150 1.184 19893 5355 1 12 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.064 -0.705 19893 5356 1 12 . 1 1 61 61 ALA H H 61 7.891 7.891 7.688 0.203 19893 5357 1 12 . 1 1 62 62 LEU N N 62 120.135 120.135 119.662 0.473 19893 5358 1 12 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.279 -0.318 19893 5359 1 12 . 1 1 62 62 LEU C C 62 178.813 178.813 178.253 0.560 19893 5360 1 12 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.882 0.637 19893 5361 1 12 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.738 0.946 19893 5362 1 12 . 1 1 62 62 LEU H H 62 7.080 7.080 7.884 -0.804 19893 5363 1 12 . 1 1 63 63 GLU N N 63 118.288 118.288 118.427 -0.139 19893 5364 1 12 . 1 1 63 63 GLU HA H 63 3.706 3.706 4.007 -0.301 19893 5365 1 12 . 1 1 63 63 GLU C C 63 179.261 179.261 177.642 1.619 19893 5366 1 12 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.330 0.866 19893 5367 1 12 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.479 0.586 19893 5368 1 12 . 1 1 63 63 GLU H H 63 7.594 7.594 8.095 -0.501 19893 5369 1 12 . 1 1 64 64 LYS N N 64 116.167 116.167 119.995 -3.828 19893 5370 1 12 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.114 -0.037 19893 5371 1 12 . 1 1 64 64 LYS C C 64 177.763 177.763 176.609 1.154 19893 5372 1 12 . 1 1 64 64 LYS H H 64 7.342 7.342 7.664 -0.322 19893 5373 1 12 . 1 1 65 65 ASN N N 65 113.899 113.899 116.331 -2.432 19893 5374 1 12 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.976 -0.021 19893 5375 1 12 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.460 0.393 19893 5376 1 12 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.804 -0.341 19893 5377 1 12 . 1 1 65 65 ASN H H 65 7.480 7.480 7.728 -0.248 19893 5378 1 12 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.626 -0.031 19893 5379 1 12 . 1 1 66 66 PRO C C 66 177.769 177.769 175.468 2.301 19893 5380 1 12 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.362 2.115 19893 5381 1 12 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.686 2.154 19893 5382 1 12 . 1 1 67 67 LYS N N 67 115.189 115.189 122.009 -6.820 19893 5383 1 12 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.441 -0.177 19893 5384 1 12 . 1 1 67 67 LYS C C 67 178.271 178.271 174.232 4.039 19893 5385 1 12 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.277 0.629 19893 5386 1 12 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.018 -2.887 19893 5387 1 12 . 1 1 67 67 LYS H H 67 7.611 7.611 7.696 -0.085 19893 5388 1 12 . 1 1 68 68 ILE N N 68 118.905 118.905 123.271 -4.366 19893 5389 1 12 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.270 -1.100 19893 5390 1 12 . 1 1 68 68 ILE C C 68 177.006 177.006 174.630 2.376 19893 5391 1 12 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.442 3.931 19893 5392 1 12 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.487 0.429 19893 5393 1 12 . 1 1 68 68 ILE H H 68 7.662 7.662 8.427 -0.765 19893 5394 1 12 . 1 1 69 69 ARG N N 69 119.690 119.690 130.469 -10.779 19893 5395 1 12 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.667 0.289 19893 5396 1 12 . 1 1 69 69 ARG C C 69 175.294 175.294 173.707 1.587 19893 5397 1 12 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.604 -0.111 19893 5398 1 12 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.070 -2.583 19893 5399 1 12 . 1 1 69 69 ARG H H 69 9.018 9.018 9.273 -0.255 19893 5400 1 12 . 1 1 70 70 GLU N N 70 116.461 116.461 124.944 -8.483 19893 5401 1 12 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.665 0.296 19893 5402 1 12 . 1 1 70 70 GLU C C 70 174.398 174.398 174.417 -0.019 19893 5403 1 12 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.552 -0.015 19893 5404 1 12 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.453 0.397 19893 5405 1 12 . 1 1 70 70 GLU H H 70 7.565 7.565 8.582 -1.017 19893 5406 1 12 . 1 1 71 71 VAL N N 71 116.838 116.838 119.762 -2.924 19893 5407 1 12 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.340 0.121 19893 5408 1 12 . 1 1 71 71 VAL CA C 71 61.024 61.024 59.836 1.188 19893 5409 1 12 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.275 -0.498 19893 5410 1 12 . 1 1 71 71 VAL H H 71 8.946 8.946 8.466 0.480 19893 5411 1 12 . 1 1 72 72 TYR N N 72 125.566 125.566 121.505 4.061 19893 5412 1 12 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.675 0.758 19893 5413 1 12 . 1 1 72 72 TYR C C 72 176.183 176.183 173.588 2.595 19893 5414 1 12 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.230 2.720 19893 5415 1 12 . 1 1 72 72 TYR CB C 72 40.213 40.213 38.906 1.307 19893 5416 1 12 . 1 1 72 72 TYR H H 72 8.689 8.689 8.375 0.314 19893 5417 1 12 . 1 1 73 73 LEU N N 73 122.757 122.757 125.846 -3.089 19893 5418 1 12 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.644 0.376 19893 5419 1 12 . 1 1 73 73 LEU C C 73 176.134 176.134 176.143 -0.009 19893 5420 1 12 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.005 -0.297 19893 5421 1 12 . 1 1 73 73 LEU CB C 73 46.349 46.349 44.256 2.093 19893 5422 1 12 . 1 1 73 73 LEU H H 73 9.202 9.202 8.659 0.543 19893 5423 1 12 . 1 1 74 74 LYS N N 74 124.941 124.941 125.374 -0.433 19893 5424 1 12 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.045 0.291 19893 5425 1 12 . 1 1 74 74 LYS CA C 74 53.473 53.473 53.125 0.348 19893 5426 1 12 . 1 1 74 74 LYS CB C 74 34.986 34.986 33.892 1.094 19893 5427 1 12 . 1 1 74 74 LYS H H 74 9.205 9.205 8.575 0.630 19893 5428 1 12 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.767 1.192 19893 5429 1 12 . 1 1 75 75 PRO C C 75 176.549 176.549 176.654 -0.105 19893 5430 1 12 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.750 0.700 19893 5431 1 12 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.583 1.035 19893 5432 1 12 . 1 1 76 76 ARG N N 76 122.429 122.429 124.208 -1.779 19893 5433 1 12 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.074 0.334 19893 5434 1 12 . 1 1 76 76 ARG C C 76 178.244 178.244 174.571 3.673 19893 5435 1 12 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.696 1.127 19893 5436 1 12 . 1 1 76 76 ARG CB C 76 32.455 32.455 27.899 4.556 19893 5437 1 12 . 1 1 76 76 ARG H H 76 10.063 10.063 7.838 2.225 19893 5438 1 12 . 1 1 77 77 ALA N N 77 127.287 127.287 122.240 5.047 19893 5439 1 12 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.729 -0.588 19893 5440 1 12 . 1 1 77 77 ALA C C 77 179.691 179.691 176.735 2.956 19893 5441 1 12 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.619 4.249 19893 5442 1 12 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.961 -1.459 19893 5443 1 12 . 1 1 77 77 ALA H H 77 9.710 9.710 7.865 1.845 19893 5444 1 12 . 1 1 78 78 VAL N N 78 118.326 118.326 118.159 0.167 19893 5445 1 12 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.165 -0.144 19893 5446 1 12 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.239 0.242 19893 5447 1 12 . 1 1 78 78 VAL CB C 78 32.599 32.599 33.006 -0.407 19893 5448 1 12 . 1 1 78 78 VAL H H 78 7.954 7.954 8.415 -0.461 19893 5449 1 12 . 1 1 79 79 LYS N N 79 125.429 125.429 121.191 4.238 19893 5450 1 12 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.392 4.396 19893 5451 1 12 . 1 1 79 79 LYS H H 79 8.695 8.695 8.013 0.682 19893 5452 1 12 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.683 0.107 19893 5453 1 12 . 1 1 80 80 ASN C C 80 175.317 175.317 174.586 0.731 19893 5454 1 12 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.861 -0.158 19893 5455 1 12 . 1 1 80 80 ASN CB C 80 38.854 38.854 38.607 0.247 19893 5456 1 12 . 1 1 81 81 SER N N 81 113.408 113.408 121.772 -8.364 19893 5457 1 12 . 1 1 81 81 SER HA H 81 4.408 4.408 4.833 -0.425 19893 5458 1 12 . 1 1 81 81 SER CA C 81 59.296 59.296 57.677 1.619 19893 5459 1 12 . 1 1 81 81 SER CB C 81 64.171 64.171 63.404 0.767 19893 5460 1 12 . 1 1 81 81 SER H H 81 7.715 7.715 8.493 -0.778 19893 5461 1 12 . 1 1 82 82 SER N N 82 117.894 117.894 114.824 3.070 19893 5462 1 12 . 1 1 82 82 SER HA H 82 4.541 4.541 4.584 -0.043 19893 5463 1 12 . 1 1 82 82 SER C C 82 174.196 174.196 172.858 1.338 19893 5464 1 12 . 1 1 82 82 SER CA C 82 58.767 58.767 58.414 0.353 19893 5465 1 12 . 1 1 82 82 SER CB C 82 64.382 64.382 65.052 -0.670 19893 5466 1 12 . 1 1 82 82 SER H H 82 8.472 8.472 7.917 0.555 19893 5467 1 12 . 1 1 83 83 VAL N N 83 122.430 122.430 124.189 -1.759 19893 5468 1 12 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.838 -0.437 19893 5469 1 12 . 1 1 83 83 VAL C C 83 174.614 174.614 174.197 0.417 19893 5470 1 12 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.687 1.845 19893 5471 1 12 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.940 0.448 19893 5472 1 12 . 1 1 83 83 VAL H H 83 7.686 7.686 7.698 -0.012 19893 5473 1 12 . 1 1 84 84 GLN N N 84 123.141 123.141 126.001 -2.860 19893 5474 1 12 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.192 -0.405 19893 5475 1 12 . 1 1 84 84 GLN C C 84 174.077 174.077 173.820 0.257 19893 5476 1 12 . 1 1 84 84 GLN CA C 84 55.073 55.073 53.590 1.482 19893 5477 1 12 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.732 -0.009 19893 5478 1 12 . 1 1 84 84 GLN H H 84 8.287 8.287 9.079 -0.792 19893 5479 1 12 . 1 1 85 85 PHE N N 85 121.281 121.281 119.544 1.737 19893 5480 1 12 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.170 0.118 19893 5481 1 12 . 1 1 85 85 PHE C C 85 175.063 175.063 175.018 0.045 19893 5482 1 12 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.571 0.864 19893 5483 1 12 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.278 -2.070 19893 5484 1 12 . 1 1 85 85 PHE H H 85 9.241 9.241 9.520 -0.279 19893 5485 1 12 . 1 1 86 86 HIS N N 86 125.300 125.300 121.553 3.747 19893 5486 1 12 . 1 1 86 86 HIS HA H 86 4.747 4.747 4.983 -0.236 19893 5487 1 12 . 1 1 86 86 HIS C C 86 172.315 172.315 173.742 -1.427 19893 5488 1 12 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.266 -2.913 19893 5489 1 12 . 1 1 86 86 HIS CB C 86 30.085 30.085 31.912 -1.827 19893 5490 1 12 . 1 1 86 86 HIS H H 86 9.340 9.340 8.893 0.447 19893 5491 1 12 . 1 1 87 87 VAL N N 87 127.396 127.396 128.085 -0.689 19893 5492 1 12 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.082 -0.859 19893 5493 1 12 . 1 1 87 87 VAL C C 87 173.887 173.887 174.373 -0.486 19893 5494 1 12 . 1 1 87 87 VAL CA C 87 61.138 61.138 60.023 1.115 19893 5495 1 12 . 1 1 87 87 VAL CB C 87 31.976 31.976 34.313 -2.337 19893 5496 1 12 . 1 1 87 87 VAL H H 87 8.722 8.722 9.065 -0.343 19893 5497 1 12 . 1 1 88 88 ILE N N 88 127.814 127.814 125.434 2.380 19893 5498 1 12 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.082 -0.297 19893 5499 1 12 . 1 1 88 88 ILE C C 88 174.542 174.542 174.918 -0.376 19893 5500 1 12 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.863 0.557 19893 5501 1 12 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.418 2.650 19893 5502 1 12 . 1 1 88 88 ILE H H 88 8.605 8.605 8.692 -0.087 19893 5503 1 12 . 1 1 89 89 PHE N N 89 125.156 125.156 128.521 -3.365 19893 5504 1 12 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.286 0.395 19893 5505 1 12 . 1 1 89 89 PHE C C 89 175.138 175.138 175.580 -0.442 19893 5506 1 12 . 1 1 89 89 PHE CA C 89 53.319 53.319 54.915 -1.596 19893 5507 1 12 . 1 1 89 89 PHE CB C 89 39.410 39.410 38.243 1.167 19893 5508 1 12 . 1 1 89 89 PHE H H 89 7.872 7.872 8.609 -0.737 19893 5509 1 12 . 1 1 90 90 ASP N N 90 125.113 125.113 125.055 0.058 19893 5510 1 12 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.939 -0.128 19893 5511 1 12 . 1 1 90 90 ASP C C 90 176.988 176.988 175.016 1.972 19893 5512 1 12 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.991 0.510 19893 5513 1 12 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.897 0.389 19893 5514 1 12 . 1 1 90 90 ASP H H 90 8.740 8.740 9.224 -0.484 19893 5515 1 12 . 1 1 91 91 GLU N N 91 124.589 124.589 128.003 -3.414 19893 5516 1 12 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.607 -0.233 19893 5517 1 12 . 1 1 91 91 GLU C C 91 175.801 175.801 174.361 1.440 19893 5518 1 12 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.282 3.189 19893 5519 1 12 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.130 1.062 19893 5520 1 12 . 1 1 91 91 GLU H H 91 9.028 9.028 8.119 0.909 19893 5521 1 13 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.548 -0.196 19893 5522 1 13 . 1 1 8 8 PRO C C 8 176.467 176.467 176.044 0.423 19893 5523 1 13 . 1 1 8 8 PRO CA C 8 63.363 63.363 63.266 0.097 19893 5524 1 13 . 1 1 8 8 PRO CB C 8 32.389 32.389 32.266 0.124 19893 5525 1 13 . 1 1 9 9 ALA N N 9 124.419 124.419 121.019 3.400 19893 5526 1 13 . 1 1 9 9 ALA HA H 9 4.407 4.407 5.118 -0.711 19893 5527 1 13 . 1 1 9 9 ALA C C 9 177.826 177.826 175.697 2.129 19893 5528 1 13 . 1 1 9 9 ALA CA C 9 52.552 52.552 50.585 1.967 19893 5529 1 13 . 1 1 9 9 ALA CB C 9 19.854 19.854 21.866 -2.012 19893 5530 1 13 . 1 1 9 9 ALA H H 9 8.301 8.301 7.416 0.885 19893 5531 1 13 . 1 1 10 10 VAL N N 10 120.778 120.778 120.061 0.717 19893 5532 1 13 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.418 -0.259 19893 5533 1 13 . 1 1 10 10 VAL C C 10 175.233 175.233 174.645 0.588 19893 5534 1 13 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.123 1.010 19893 5535 1 13 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.979 -0.159 19893 5536 1 13 . 1 1 10 10 VAL H H 10 8.095 8.095 8.863 -0.768 19893 5537 1 13 . 1 1 11 11 ASP N N 11 125.133 125.133 128.057 -2.924 19893 5538 1 13 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.177 -0.145 19893 5539 1 13 . 1 1 11 11 ASP C C 11 176.892 176.892 175.287 1.605 19893 5540 1 13 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.940 1.653 19893 5541 1 13 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.554 0.108 19893 5542 1 13 . 1 1 11 11 ASP H H 11 8.285 8.285 8.619 -0.334 19893 5543 1 13 . 1 1 12 12 VAL N N 12 124.553 124.553 125.482 -0.929 19893 5544 1 13 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.354 -0.229 19893 5545 1 13 . 1 1 12 12 VAL C C 12 175.226 175.226 174.559 0.667 19893 5546 1 13 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.236 2.386 19893 5547 1 13 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.383 -2.054 19893 5548 1 13 . 1 1 12 12 VAL H H 12 8.615 8.615 8.532 0.083 19893 5549 1 13 . 1 1 13 13 GLU N N 13 130.776 130.776 124.368 6.408 19893 5550 1 13 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.135 -0.044 19893 5551 1 13 . 1 1 13 13 GLU C C 13 175.853 175.853 175.275 0.578 19893 5552 1 13 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.585 0.684 19893 5553 1 13 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.806 -0.170 19893 5554 1 13 . 1 1 13 13 GLU H H 13 8.796 8.796 8.512 0.284 19893 5555 1 13 . 1 1 14 14 ILE N N 14 128.969 128.969 122.121 6.848 19893 5556 1 13 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.902 -0.529 19893 5557 1 13 . 1 1 14 14 ILE C C 14 174.048 174.048 174.094 -0.046 19893 5558 1 13 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.324 -0.545 19893 5559 1 13 . 1 1 14 14 ILE CB C 14 41.986 41.986 40.925 1.061 19893 5560 1 13 . 1 1 14 14 ILE H H 14 8.602 8.602 9.072 -0.470 19893 5561 1 13 . 1 1 15 15 HIS N N 15 124.354 124.354 124.809 -0.455 19893 5562 1 13 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.879 0.375 19893 5563 1 13 . 1 1 15 15 HIS C C 15 174.830 174.830 173.697 1.133 19893 5564 1 13 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.623 0.764 19893 5565 1 13 . 1 1 15 15 HIS CB C 15 30.504 30.504 32.041 -1.537 19893 5566 1 13 . 1 1 15 15 HIS H H 15 8.926 8.926 9.661 -0.735 19893 5567 1 13 . 1 1 16 16 PHE N N 16 117.887 117.887 126.580 -8.693 19893 5568 1 13 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.916 0.685 19893 5569 1 13 . 1 1 16 16 PHE CA C 16 51.560 51.560 54.863 -3.303 19893 5570 1 13 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.344 1.646 19893 5571 1 13 . 1 1 16 16 PHE H H 16 8.758 8.758 9.476 -0.718 19893 5572 1 13 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.858 -0.099 19893 5573 1 13 . 1 1 17 17 PRO C C 17 178.833 178.833 176.496 2.337 19893 5574 1 13 . 1 1 17 17 PRO CA C 17 63.058 63.058 61.916 1.142 19893 5575 1 13 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.730 -0.770 19893 5576 1 13 . 1 1 18 18 LEU N N 18 131.092 131.092 124.851 6.241 19893 5577 1 13 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.295 -0.549 19893 5578 1 13 . 1 1 18 18 LEU C C 18 177.657 177.657 176.196 1.461 19893 5579 1 13 . 1 1 18 18 LEU CA C 18 59.042 59.042 54.852 4.190 19893 5580 1 13 . 1 1 18 18 LEU CB C 18 43.774 43.774 40.169 3.605 19893 5581 1 13 . 1 1 18 18 LEU H H 18 9.189 9.189 8.305 0.884 19893 5582 1 13 . 1 1 19 19 LYS N N 19 113.358 113.358 118.687 -5.329 19893 5583 1 13 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.431 -0.516 19893 5584 1 13 . 1 1 19 19 LYS C C 19 179.580 179.580 177.204 2.376 19893 5585 1 13 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.680 2.795 19893 5586 1 13 . 1 1 19 19 LYS CB C 19 32.676 32.676 34.469 -1.793 19893 5587 1 13 . 1 1 19 19 LYS H H 19 8.967 8.967 8.263 0.704 19893 5588 1 13 . 1 1 20 20 ARG N N 20 113.649 113.649 118.777 -5.128 19893 5589 1 13 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.453 -0.101 19893 5590 1 13 . 1 1 20 20 ARG C C 20 179.148 179.148 178.360 0.788 19893 5591 1 13 . 1 1 20 20 ARG CA C 20 57.803 57.803 57.288 0.515 19893 5592 1 13 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.372 -1.242 19893 5593 1 13 . 1 1 20 20 ARG H H 20 7.118 7.118 7.911 -0.793 19893 5594 1 13 . 1 1 21 21 ILE N N 21 117.305 117.305 116.584 0.721 19893 5595 1 13 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.196 0.122 19893 5596 1 13 . 1 1 21 21 ILE C C 21 175.336 175.336 176.341 -1.005 19893 5597 1 13 . 1 1 21 21 ILE CA C 21 59.592 59.592 62.136 -2.544 19893 5598 1 13 . 1 1 21 21 ILE CB C 21 39.017 39.017 37.360 1.657 19893 5599 1 13 . 1 1 21 21 ILE H H 21 7.752 7.752 7.599 0.153 19893 5600 1 13 . 1 1 22 22 ALA N N 22 123.637 123.637 120.784 2.853 19893 5601 1 13 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.219 -0.132 19893 5602 1 13 . 1 1 22 22 ALA C C 22 177.701 177.701 177.527 0.174 19893 5603 1 13 . 1 1 22 22 ALA CA C 22 53.390 53.390 52.366 1.024 19893 5604 1 13 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.035 1.013 19893 5605 1 13 . 1 1 22 22 ALA H H 22 7.759 7.759 8.127 -0.368 19893 5606 1 13 . 1 1 23 23 ALA N N 23 120.182 120.182 121.401 -1.219 19893 5607 1 13 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.209 0.076 19893 5608 1 13 . 1 1 23 23 ALA C C 23 178.285 178.285 178.030 0.255 19893 5609 1 13 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.962 -1.056 19893 5610 1 13 . 1 1 23 23 ALA CB C 23 20.190 20.190 19.467 0.723 19893 5611 1 13 . 1 1 23 23 ALA H H 23 6.732 6.732 7.590 -0.858 19893 5612 1 13 . 1 1 24 24 GLU N N 24 119.837 119.837 115.788 4.049 19893 5613 1 13 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.385 -0.220 19893 5614 1 13 . 1 1 24 24 GLU C C 24 179.026 179.026 177.722 1.304 19893 5615 1 13 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.877 2.605 19893 5616 1 13 . 1 1 24 24 GLU CB C 24 29.977 29.977 29.870 0.107 19893 5617 1 13 . 1 1 24 24 GLU H H 24 8.830 8.830 8.111 0.719 19893 5618 1 13 . 1 1 25 25 GLY N N 25 107.505 107.505 108.525 -1.020 19893 5619 1 13 . 1 1 25 25 GLY C C 25 176.338 176.338 176.091 0.247 19893 5620 1 13 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.068 0.009 19893 5621 1 13 . 1 1 25 25 GLY H H 25 8.425 8.425 8.629 -0.204 19893 5622 1 13 . 1 1 26 26 TYR N N 26 119.505 119.505 122.162 -2.657 19893 5623 1 13 . 1 1 26 26 TYR HA H 26 4.256 4.256 4.000 0.256 19893 5624 1 13 . 1 1 26 26 TYR C C 26 176.005 176.005 177.326 -1.321 19893 5625 1 13 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.744 -1.030 19893 5626 1 13 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.695 -0.198 19893 5627 1 13 . 1 1 26 26 TYR H H 26 7.262 7.262 8.357 -1.095 19893 5628 1 13 . 1 1 27 27 ALA N N 27 122.574 122.574 118.864 3.710 19893 5629 1 13 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.970 -0.506 19893 5630 1 13 . 1 1 27 27 ALA C C 27 178.550 178.550 179.199 -0.649 19893 5631 1 13 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.775 -0.603 19893 5632 1 13 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.218 -0.143 19893 5633 1 13 . 1 1 27 27 ALA H H 27 6.867 6.867 7.953 -1.086 19893 5634 1 13 . 1 1 28 28 GLU N N 28 114.244 114.244 119.424 -5.180 19893 5635 1 13 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.912 0.427 19893 5636 1 13 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.395 -4.144 19893 5637 1 13 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.380 1.065 19893 5638 1 13 . 1 1 28 28 GLU H H 28 7.285 7.285 8.376 -1.091 19893 5639 1 13 . 1 1 29 29 ASP N N 29 120.177 120.177 118.261 1.916 19893 5640 1 13 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.370 0.087 19893 5641 1 13 . 1 1 29 29 ASP C C 29 177.771 177.771 178.993 -1.222 19893 5642 1 13 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.319 -2.871 19893 5643 1 13 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.145 0.544 19893 5644 1 13 . 1 1 29 29 ASP H H 29 7.083 7.083 8.177 -1.094 19893 5645 1 13 . 1 1 30 30 GLU N N 30 129.724 129.724 119.128 10.596 19893 5646 1 13 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.168 -0.206 19893 5647 1 13 . 1 1 30 30 GLU C C 30 178.184 178.184 178.799 -0.615 19893 5648 1 13 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.909 0.447 19893 5649 1 13 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.223 0.058 19893 5650 1 13 . 1 1 30 30 GLU H H 30 9.081 9.081 7.725 1.356 19893 5651 1 13 . 1 1 31 31 LEU N N 31 120.990 120.990 121.880 -0.890 19893 5652 1 13 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.079 0.080 19893 5653 1 13 . 1 1 31 31 LEU C C 31 180.910 180.910 178.721 2.189 19893 5654 1 13 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.005 1.075 19893 5655 1 13 . 1 1 31 31 LEU CB C 31 41.682 41.682 41.939 -0.257 19893 5656 1 13 . 1 1 31 31 LEU H H 31 8.323 8.323 7.800 0.523 19893 5657 1 13 . 1 1 32 32 LEU N N 32 116.856 116.856 117.631 -0.775 19893 5658 1 13 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.273 -0.321 19893 5659 1 13 . 1 1 32 32 LEU C C 32 179.086 179.086 179.071 0.015 19893 5660 1 13 . 1 1 32 32 LEU CA C 32 58.018 58.018 56.027 1.991 19893 5661 1 13 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.136 0.815 19893 5662 1 13 . 1 1 32 32 LEU H H 32 7.225 7.225 8.593 -1.368 19893 5663 1 13 . 1 1 33 33 LEU N N 33 117.769 117.769 122.342 -4.573 19893 5664 1 13 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.888 0.034 19893 5665 1 13 . 1 1 33 33 LEU C C 33 181.207 181.207 177.707 3.500 19893 5666 1 13 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.350 0.460 19893 5667 1 13 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.760 0.352 19893 5668 1 13 . 1 1 33 33 LEU H H 33 6.943 6.943 7.760 -0.817 19893 5669 1 13 . 1 1 34 34 ASN N N 34 118.848 118.848 115.843 3.005 19893 5670 1 13 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.336 0.200 19893 5671 1 13 . 1 1 34 34 ASN C C 34 178.881 178.881 177.915 0.966 19893 5672 1 13 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.236 0.067 19893 5673 1 13 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.576 0.004 19893 5674 1 13 . 1 1 34 34 ASN H H 34 8.320 8.320 7.915 0.405 19893 5675 1 13 . 1 1 35 35 GLN N N 35 118.808 118.808 119.083 -0.275 19893 5676 1 13 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.033 0.314 19893 5677 1 13 . 1 1 35 35 GLN C C 35 177.483 177.483 178.133 -0.650 19893 5678 1 13 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.968 -1.693 19893 5679 1 13 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.845 1.033 19893 5680 1 13 . 1 1 35 35 GLN H H 35 8.053 8.053 8.486 -0.433 19893 5681 1 13 . 1 1 36 36 MET N N 36 116.334 116.334 118.478 -2.144 19893 5682 1 13 . 1 1 36 36 MET HA H 36 4.718 4.718 4.423 0.295 19893 5683 1 13 . 1 1 36 36 MET C C 36 177.424 177.424 178.936 -1.512 19893 5684 1 13 . 1 1 36 36 MET CA C 36 54.879 54.879 56.492 -1.613 19893 5685 1 13 . 1 1 36 36 MET CB C 36 31.263 31.263 31.583 -0.320 19893 5686 1 13 . 1 1 36 36 MET H H 36 7.596 7.596 7.936 -0.340 19893 5687 1 13 . 1 1 37 37 GLY N N 37 106.238 106.238 106.854 -0.616 19893 5688 1 13 . 1 1 37 37 GLY C C 37 175.666 175.666 174.983 0.683 19893 5689 1 13 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.349 1.224 19893 5690 1 13 . 1 1 37 37 GLY H H 37 7.827 7.827 7.964 -0.137 19893 5691 1 13 . 1 1 38 38 LYS N N 38 120.688 120.688 120.490 0.198 19893 5692 1 13 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.115 0.298 19893 5693 1 13 . 1 1 38 38 LYS C C 38 176.395 176.395 179.095 -2.700 19893 5694 1 13 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.645 -2.313 19893 5695 1 13 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.852 -0.761 19893 5696 1 13 . 1 1 38 38 LYS H H 38 8.543 8.543 7.600 0.943 19893 5697 1 13 . 1 1 39 39 VAL N N 39 123.143 123.143 115.442 7.701 19893 5698 1 13 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.852 0.225 19893 5699 1 13 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.043 -2.214 19893 5700 1 13 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.992 1.718 19893 5701 1 13 . 1 1 39 39 VAL H H 39 7.711 7.711 8.436 -0.725 19893 5702 1 13 . 1 1 40 40 ASN N N 40 125.464 125.464 115.778 9.686 19893 5703 1 13 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.870 -0.087 19893 5704 1 13 . 1 1 40 40 ASN C C 40 174.870 174.870 173.993 0.877 19893 5705 1 13 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.749 -0.255 19893 5706 1 13 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.681 -0.288 19893 5707 1 13 . 1 1 40 40 ASN H H 40 8.692 8.692 8.194 0.498 19893 5708 1 13 . 1 1 41 41 ASP N N 41 116.195 116.195 118.184 -1.989 19893 5709 1 13 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.504 0.629 19893 5710 1 13 . 1 1 41 41 ASP C C 41 177.048 177.048 175.242 1.806 19893 5711 1 13 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.196 1.226 19893 5712 1 13 . 1 1 41 41 ASP CB C 41 43.353 43.353 40.120 3.233 19893 5713 1 13 . 1 1 41 41 ASP H H 41 8.403 8.403 8.555 -0.152 19893 5714 1 13 . 1 1 42 42 THR N N 42 111.139 111.139 108.529 2.610 19893 5715 1 13 . 1 1 42 42 THR HA H 42 4.646 4.646 4.398 0.248 19893 5716 1 13 . 1 1 42 42 THR CA C 42 57.844 57.844 63.102 -5.258 19893 5717 1 13 . 1 1 42 42 THR CB C 42 70.269 70.269 68.371 1.898 19893 5718 1 13 . 1 1 42 42 THR H H 42 7.532 7.532 7.746 -0.214 19893 5719 1 13 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.648 -0.114 19893 5720 1 13 . 1 1 43 43 PRO C C 43 175.550 175.550 176.275 -0.725 19893 5721 1 13 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.333 0.791 19893 5722 1 13 . 1 1 43 43 PRO CB C 43 34.450 34.450 31.080 3.370 19893 5723 1 13 . 1 1 44 44 GLU N N 44 121.809 121.809 123.714 -1.905 19893 5724 1 13 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.564 -0.426 19893 5725 1 13 . 1 1 44 44 GLU C C 44 176.266 176.266 175.956 0.310 19893 5726 1 13 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.719 2.864 19893 5727 1 13 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.681 0.197 19893 5728 1 13 . 1 1 44 44 GLU H H 44 8.515 8.515 8.208 0.307 19893 5729 1 13 . 1 1 45 45 GLU N N 45 122.167 122.167 119.391 2.776 19893 5730 1 13 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.493 -0.141 19893 5731 1 13 . 1 1 45 45 GLU C C 45 175.468 175.468 175.538 -0.070 19893 5732 1 13 . 1 1 45 45 GLU CA C 45 54.805 54.805 56.803 -1.998 19893 5733 1 13 . 1 1 45 45 GLU CB C 45 32.425 32.425 31.098 1.327 19893 5734 1 13 . 1 1 45 45 GLU H H 45 8.406 8.406 8.717 -0.311 19893 5735 1 13 . 1 1 46 46 GLU N N 46 123.100 123.100 120.838 2.262 19893 5736 1 13 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.663 -0.915 19893 5737 1 13 . 1 1 46 46 GLU C C 46 177.108 177.108 175.591 1.517 19893 5738 1 13 . 1 1 46 46 GLU CA C 46 57.786 57.786 55.879 1.907 19893 5739 1 13 . 1 1 46 46 GLU CB C 46 28.617 28.617 30.471 -1.854 19893 5740 1 13 . 1 1 46 46 GLU H H 46 8.729 8.729 8.285 0.444 19893 5741 1 13 . 1 1 47 47 GLY N N 47 102.684 102.684 108.534 -5.850 19893 5742 1 13 . 1 1 47 47 GLY C C 47 174.278 174.278 172.821 1.457 19893 5743 1 13 . 1 1 47 47 GLY CA C 47 45.972 45.972 46.186 -0.214 19893 5744 1 13 . 1 1 47 47 GLY H H 47 8.513 8.513 7.885 0.628 19893 5745 1 13 . 1 1 48 48 MET N N 48 120.460 120.460 120.775 -0.315 19893 5746 1 13 . 1 1 48 48 MET HA H 48 5.004 5.004 4.865 0.139 19893 5747 1 13 . 1 1 48 48 MET CA C 48 53.307 53.307 52.717 0.590 19893 5748 1 13 . 1 1 48 48 MET CB C 48 35.537 35.537 34.806 0.731 19893 5749 1 13 . 1 1 48 48 MET H H 48 8.056 8.056 7.936 0.120 19893 5750 1 13 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.093 0.058 19893 5751 1 13 . 1 1 50 50 LEU C C 50 179.381 179.381 178.887 0.494 19893 5752 1 13 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.822 1.062 19893 5753 1 13 . 1 1 50 50 LEU CB C 50 40.795 40.795 41.258 -0.464 19893 5754 1 13 . 1 1 51 51 ARG N N 51 113.058 113.058 119.249 -6.191 19893 5755 1 13 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.759 0.067 19893 5756 1 13 . 1 1 51 51 ARG C C 51 178.376 178.376 177.680 0.696 19893 5757 1 13 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.096 2.377 19893 5758 1 13 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.730 2.365 19893 5759 1 13 . 1 1 51 51 ARG H H 51 8.076 8.076 8.498 -0.422 19893 5760 1 13 . 1 1 52 52 ALA N N 52 118.144 118.144 123.415 -5.271 19893 5761 1 13 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.025 0.065 19893 5762 1 13 . 1 1 52 52 ALA C C 52 180.673 180.673 179.772 0.901 19893 5763 1 13 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.875 0.096 19893 5764 1 13 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.188 0.730 19893 5765 1 13 . 1 1 52 52 ALA H H 52 7.095 7.095 8.089 -0.994 19893 5766 1 13 . 1 1 53 53 TRP N N 53 121.809 121.809 116.374 5.435 19893 5767 1 13 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.536 -0.227 19893 5768 1 13 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.034 4.898 19893 5769 1 13 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.621 -0.109 19893 5770 1 13 . 1 1 53 53 TRP H H 53 8.608 8.608 7.835 0.773 19893 5771 1 13 . 1 1 54 54 VAL N N 54 120.508 120.508 122.699 -2.191 19893 5772 1 13 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.772 0.072 19893 5773 1 13 . 1 1 54 54 VAL C C 54 177.917 177.917 177.753 0.164 19893 5774 1 13 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.474 0.960 19893 5775 1 13 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.677 0.841 19893 5776 1 13 . 1 1 54 54 VAL H H 54 8.352 8.352 6.971 1.381 19893 5777 1 13 . 1 1 55 55 ILE N N 55 118.131 118.131 119.268 -1.137 19893 5778 1 13 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.497 -0.170 19893 5779 1 13 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.893 0.897 19893 5780 1 13 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.669 1.600 19893 5781 1 13 . 1 1 55 55 ILE H H 55 7.574 7.574 8.304 -0.730 19893 5782 1 13 . 1 1 56 56 LYS N N 56 120.517 120.517 121.032 -0.515 19893 5783 1 13 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.020 0.032 19893 5784 1 13 . 1 1 56 56 LYS C C 56 179.574 179.574 178.453 1.121 19893 5785 1 13 . 1 1 56 56 LYS CA C 56 60.575 60.575 60.133 0.442 19893 5786 1 13 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.308 0.823 19893 5787 1 13 . 1 1 56 56 LYS H H 56 8.354 8.354 8.073 0.281 19893 5788 1 13 . 1 1 57 57 CYS N N 57 116.239 116.239 117.625 -1.386 19893 5789 1 13 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.121 -0.207 19893 5790 1 13 . 1 1 57 57 CYS C C 57 178.985 178.985 176.778 2.207 19893 5791 1 13 . 1 1 57 57 CYS CA C 57 63.432 63.432 61.082 2.350 19893 5792 1 13 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.229 1.360 19893 5793 1 13 . 1 1 57 57 CYS H H 57 8.501 8.501 8.136 0.365 19893 5794 1 13 . 1 1 58 58 ALA N N 58 123.819 123.819 123.228 0.591 19893 5795 1 13 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.167 -0.132 19893 5796 1 13 . 1 1 58 58 ALA C C 58 177.753 177.753 178.983 -1.230 19893 5797 1 13 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.447 0.630 19893 5798 1 13 . 1 1 58 58 ALA CB C 58 18.229 18.229 17.562 0.667 19893 5799 1 13 . 1 1 58 58 ALA H H 58 8.605 8.605 8.568 0.037 19893 5800 1 13 . 1 1 59 59 HIS N N 59 115.595 115.595 116.311 -0.716 19893 5801 1 13 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.305 -0.790 19893 5802 1 13 . 1 1 59 59 HIS C C 59 177.271 177.271 177.588 -0.317 19893 5803 1 13 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.190 1.510 19893 5804 1 13 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.805 -2.014 19893 5805 1 13 . 1 1 59 59 HIS H H 59 8.132 8.132 8.547 -0.415 19893 5806 1 13 . 1 1 60 60 GLU N N 60 117.847 117.847 120.414 -2.567 19893 5807 1 13 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.886 -0.112 19893 5808 1 13 . 1 1 60 60 GLU C C 60 179.157 179.157 178.405 0.752 19893 5809 1 13 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.553 1.221 19893 5810 1 13 . 1 1 60 60 GLU CB C 60 29.897 29.897 28.913 0.984 19893 5811 1 13 . 1 1 60 60 GLU H H 60 8.623 8.623 7.585 1.038 19893 5812 1 13 . 1 1 61 61 ALA N N 61 122.193 122.193 121.546 0.647 19893 5813 1 13 . 1 1 61 61 ALA HA H 61 4.063 4.063 3.978 0.085 19893 5814 1 13 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.603 0.731 19893 5815 1 13 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.430 -0.071 19893 5816 1 13 . 1 1 61 61 ALA H H 61 7.891 7.891 7.991 -0.100 19893 5817 1 13 . 1 1 62 62 LEU N N 62 120.135 120.135 117.852 2.283 19893 5818 1 13 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.254 -0.293 19893 5819 1 13 . 1 1 62 62 LEU C C 62 178.813 178.813 178.774 0.039 19893 5820 1 13 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.715 0.804 19893 5821 1 13 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.790 0.894 19893 5822 1 13 . 1 1 62 62 LEU H H 62 7.080 7.080 7.415 -0.335 19893 5823 1 13 . 1 1 63 63 GLU N N 63 118.288 118.288 119.711 -1.423 19893 5824 1 13 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.975 -0.269 19893 5825 1 13 . 1 1 63 63 GLU C C 63 179.261 179.261 177.862 1.399 19893 5826 1 13 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.813 0.383 19893 5827 1 13 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.320 0.746 19893 5828 1 13 . 1 1 63 63 GLU H H 63 7.594 7.594 7.959 -0.365 19893 5829 1 13 . 1 1 64 64 LYS N N 64 116.167 116.167 118.398 -2.231 19893 5830 1 13 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.077 -0.000 19893 5831 1 13 . 1 1 64 64 LYS C C 64 177.763 177.763 176.668 1.095 19893 5832 1 13 . 1 1 64 64 LYS H H 64 7.342 7.342 7.761 -0.419 19893 5833 1 13 . 1 1 65 65 ASN N N 65 113.899 113.899 115.823 -1.924 19893 5834 1 13 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.987 -0.032 19893 5835 1 13 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.166 0.688 19893 5836 1 13 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.128 -0.665 19893 5837 1 13 . 1 1 65 65 ASN H H 65 7.480 7.480 7.695 -0.215 19893 5838 1 13 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.624 -0.029 19893 5839 1 13 . 1 1 66 66 PRO C C 66 177.769 177.769 175.410 2.359 19893 5840 1 13 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.389 2.088 19893 5841 1 13 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.468 2.372 19893 5842 1 13 . 1 1 67 67 LYS N N 67 115.189 115.189 121.302 -6.113 19893 5843 1 13 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.523 -0.259 19893 5844 1 13 . 1 1 67 67 LYS C C 67 178.271 178.271 174.547 3.724 19893 5845 1 13 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.101 0.805 19893 5846 1 13 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.054 -2.923 19893 5847 1 13 . 1 1 67 67 LYS H H 67 7.611 7.611 7.640 -0.029 19893 5848 1 13 . 1 1 68 68 ILE N N 68 118.905 118.905 122.945 -4.040 19893 5849 1 13 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.177 -1.007 19893 5850 1 13 . 1 1 68 68 ILE C C 68 177.006 177.006 174.905 2.101 19893 5851 1 13 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.530 3.843 19893 5852 1 13 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.130 0.786 19893 5853 1 13 . 1 1 68 68 ILE H H 68 7.662 7.662 8.490 -0.828 19893 5854 1 13 . 1 1 69 69 ARG N N 69 119.690 119.690 127.763 -8.073 19893 5855 1 13 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.785 0.171 19893 5856 1 13 . 1 1 69 69 ARG C C 69 175.294 175.294 173.669 1.625 19893 5857 1 13 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.745 -0.252 19893 5858 1 13 . 1 1 69 69 ARG CB C 69 31.487 31.487 33.794 -2.307 19893 5859 1 13 . 1 1 69 69 ARG H H 69 9.018 9.018 9.328 -0.310 19893 5860 1 13 . 1 1 70 70 GLU N N 70 116.461 116.461 122.967 -6.506 19893 5861 1 13 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.739 0.222 19893 5862 1 13 . 1 1 70 70 GLU C C 70 174.398 174.398 174.741 -0.343 19893 5863 1 13 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.617 -0.080 19893 5864 1 13 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.287 0.563 19893 5865 1 13 . 1 1 70 70 GLU H H 70 7.565 7.565 8.650 -1.085 19893 5866 1 13 . 1 1 71 71 VAL N N 71 116.838 116.838 120.630 -3.792 19893 5867 1 13 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.456 0.005 19893 5868 1 13 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.027 0.997 19893 5869 1 13 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.485 -0.708 19893 5870 1 13 . 1 1 71 71 VAL H H 71 8.946 8.946 8.643 0.303 19893 5871 1 13 . 1 1 72 72 TYR N N 72 125.566 125.566 120.985 4.581 19893 5872 1 13 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.895 0.538 19893 5873 1 13 . 1 1 72 72 TYR C C 72 176.183 176.183 175.347 0.836 19893 5874 1 13 . 1 1 72 72 TYR CA C 72 57.950 57.950 57.814 0.136 19893 5875 1 13 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.597 0.616 19893 5876 1 13 . 1 1 72 72 TYR H H 72 8.689 8.689 8.718 -0.029 19893 5877 1 13 . 1 1 73 73 LEU N N 73 122.757 122.757 125.408 -2.651 19893 5878 1 13 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.878 0.142 19893 5879 1 13 . 1 1 73 73 LEU C C 73 176.134 176.134 175.431 0.703 19893 5880 1 13 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.982 -0.274 19893 5881 1 13 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.024 1.325 19893 5882 1 13 . 1 1 73 73 LEU H H 73 9.202 9.202 9.174 0.028 19893 5883 1 13 . 1 1 74 74 LYS N N 74 124.941 124.941 126.682 -1.741 19893 5884 1 13 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.051 0.284 19893 5885 1 13 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.657 0.816 19893 5886 1 13 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.661 0.325 19893 5887 1 13 . 1 1 74 74 LYS H H 74 9.205 9.205 8.646 0.559 19893 5888 1 13 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.404 1.555 19893 5889 1 13 . 1 1 75 75 PRO C C 75 176.549 176.549 176.963 -0.414 19893 5890 1 13 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.168 1.282 19893 5891 1 13 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.965 0.653 19893 5892 1 13 . 1 1 76 76 ARG N N 76 122.429 122.429 123.251 -0.822 19893 5893 1 13 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.092 0.316 19893 5894 1 13 . 1 1 76 76 ARG C C 76 178.244 178.244 175.150 3.094 19893 5895 1 13 . 1 1 76 76 ARG CA C 76 56.823 56.823 56.078 0.745 19893 5896 1 13 . 1 1 76 76 ARG CB C 76 32.455 32.455 28.364 4.091 19893 5897 1 13 . 1 1 76 76 ARG H H 76 10.063 10.063 7.862 2.201 19893 5898 1 13 . 1 1 77 77 ALA N N 77 127.287 127.287 122.163 5.124 19893 5899 1 13 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.946 -0.805 19893 5900 1 13 . 1 1 77 77 ALA C C 77 179.691 179.691 176.711 2.980 19893 5901 1 13 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.108 4.760 19893 5902 1 13 . 1 1 77 77 ALA CB C 77 19.502 19.502 21.633 -2.131 19893 5903 1 13 . 1 1 77 77 ALA H H 77 9.710 9.710 8.003 1.707 19893 5904 1 13 . 1 1 78 78 VAL N N 78 118.326 118.326 112.695 5.631 19893 5905 1 13 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.269 -0.248 19893 5906 1 13 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.217 0.264 19893 5907 1 13 . 1 1 78 78 VAL CB C 78 32.599 32.599 33.262 -0.663 19893 5908 1 13 . 1 1 78 78 VAL H H 78 7.954 7.954 8.960 -1.006 19893 5909 1 13 . 1 1 79 79 LYS N N 79 125.429 125.429 119.269 6.160 19893 5910 1 13 . 1 1 79 79 LYS CA C 79 59.788 59.788 54.860 4.928 19893 5911 1 13 . 1 1 79 79 LYS H H 79 8.695 8.695 9.279 -0.584 19893 5912 1 13 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.822 -0.032 19893 5913 1 13 . 1 1 80 80 ASN C C 80 175.317 175.317 175.935 -0.618 19893 5914 1 13 . 1 1 80 80 ASN CA C 80 53.704 53.704 54.687 -0.983 19893 5915 1 13 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.090 -0.236 19893 5916 1 13 . 1 1 81 81 SER N N 81 113.408 113.408 121.855 -8.447 19893 5917 1 13 . 1 1 81 81 SER HA H 81 4.408 4.408 4.613 -0.205 19893 5918 1 13 . 1 1 81 81 SER CA C 81 59.296 59.296 59.334 -0.038 19893 5919 1 13 . 1 1 81 81 SER CB C 81 64.171 64.171 64.176 -0.005 19893 5920 1 13 . 1 1 81 81 SER H H 81 7.715 7.715 8.477 -0.762 19893 5921 1 13 . 1 1 82 82 SER N N 82 117.894 117.894 119.417 -1.523 19893 5922 1 13 . 1 1 82 82 SER HA H 82 4.541 4.541 4.256 0.285 19893 5923 1 13 . 1 1 82 82 SER C C 82 174.196 174.196 173.464 0.732 19893 5924 1 13 . 1 1 82 82 SER CA C 82 58.767 58.767 61.133 -2.366 19893 5925 1 13 . 1 1 82 82 SER CB C 82 64.382 64.382 63.922 0.460 19893 5926 1 13 . 1 1 82 82 SER H H 82 8.472 8.472 8.194 0.278 19893 5927 1 13 . 1 1 83 83 VAL N N 83 122.430 122.430 119.236 3.194 19893 5928 1 13 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.237 0.164 19893 5929 1 13 . 1 1 83 83 VAL C C 83 174.614 174.614 173.821 0.793 19893 5930 1 13 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.859 1.673 19893 5931 1 13 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.968 0.421 19893 5932 1 13 . 1 1 83 83 VAL H H 83 7.686 7.686 7.635 0.051 19893 5933 1 13 . 1 1 84 84 GLN N N 84 123.141 123.141 126.759 -3.618 19893 5934 1 13 . 1 1 84 84 GLN HA H 84 4.787 4.787 4.937 -0.150 19893 5935 1 13 . 1 1 84 84 GLN C C 84 174.077 174.077 174.348 -0.271 19893 5936 1 13 . 1 1 84 84 GLN CA C 84 55.073 55.073 55.029 0.044 19893 5937 1 13 . 1 1 84 84 GLN CB C 84 32.723 32.723 33.080 -0.357 19893 5938 1 13 . 1 1 84 84 GLN H H 84 8.287 8.287 8.505 -0.218 19893 5939 1 13 . 1 1 85 85 PHE N N 85 121.281 121.281 121.807 -0.526 19893 5940 1 13 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.009 0.279 19893 5941 1 13 . 1 1 85 85 PHE C C 85 175.063 175.063 174.918 0.145 19893 5942 1 13 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.526 0.909 19893 5943 1 13 . 1 1 85 85 PHE CB C 85 41.208 41.208 42.770 -1.562 19893 5944 1 13 . 1 1 85 85 PHE H H 85 9.241 9.241 9.656 -0.415 19893 5945 1 13 . 1 1 86 86 HIS N N 86 125.300 125.300 122.647 2.653 19893 5946 1 13 . 1 1 86 86 HIS HA H 86 4.747 4.747 4.892 -0.145 19893 5947 1 13 . 1 1 86 86 HIS C C 86 172.315 172.315 173.503 -1.188 19893 5948 1 13 . 1 1 86 86 HIS CA C 86 52.353 52.353 54.736 -2.383 19893 5949 1 13 . 1 1 86 86 HIS CB C 86 30.085 30.085 31.474 -1.389 19893 5950 1 13 . 1 1 86 86 HIS H H 86 9.340 9.340 8.836 0.504 19893 5951 1 13 . 1 1 87 87 VAL N N 87 127.396 127.396 128.763 -1.367 19893 5952 1 13 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.226 -1.003 19893 5953 1 13 . 1 1 87 87 VAL C C 87 173.887 173.887 172.995 0.892 19893 5954 1 13 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.458 2.680 19893 5955 1 13 . 1 1 87 87 VAL CB C 87 31.976 31.976 34.903 -2.927 19893 5956 1 13 . 1 1 87 87 VAL H H 87 8.722 8.722 9.053 -0.331 19893 5957 1 13 . 1 1 88 88 ILE N N 88 127.814 127.814 130.535 -2.721 19893 5958 1 13 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.076 -0.291 19893 5959 1 13 . 1 1 88 88 ILE C C 88 174.542 174.542 174.938 -0.396 19893 5960 1 13 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.323 1.097 19893 5961 1 13 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.151 2.917 19893 5962 1 13 . 1 1 88 88 ILE H H 88 8.605 8.605 8.773 -0.168 19893 5963 1 13 . 1 1 89 89 PHE N N 89 125.156 125.156 128.352 -3.196 19893 5964 1 13 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.264 0.417 19893 5965 1 13 . 1 1 89 89 PHE C C 89 175.138 175.138 175.392 -0.254 19893 5966 1 13 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.311 -1.992 19893 5967 1 13 . 1 1 89 89 PHE CB C 89 39.410 39.410 38.589 0.821 19893 5968 1 13 . 1 1 89 89 PHE H H 89 7.872 7.872 8.838 -0.966 19893 5969 1 13 . 1 1 90 90 ASP N N 90 125.113 125.113 126.619 -1.506 19893 5970 1 13 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.897 -0.086 19893 5971 1 13 . 1 1 90 90 ASP C C 90 176.988 176.988 175.442 1.546 19893 5972 1 13 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.653 0.848 19893 5973 1 13 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.547 0.739 19893 5974 1 13 . 1 1 90 90 ASP H H 90 8.740 8.740 9.298 -0.558 19893 5975 1 13 . 1 1 91 91 GLU N N 91 124.589 124.589 126.879 -2.290 19893 5976 1 13 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.628 -0.254 19893 5977 1 13 . 1 1 91 91 GLU C C 91 175.801 175.801 175.152 0.649 19893 5978 1 13 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.074 3.397 19893 5979 1 13 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.859 1.333 19893 5980 1 13 . 1 1 91 91 GLU H H 91 9.028 9.028 8.126 0.902 19893 5981 1 14 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.563 -0.211 19893 5982 1 14 . 1 1 8 8 PRO C C 8 176.467 176.467 175.582 0.885 19893 5983 1 14 . 1 1 8 8 PRO CA C 8 63.363 63.363 62.611 0.752 19893 5984 1 14 . 1 1 8 8 PRO CB C 8 32.389 32.389 29.179 3.210 19893 5985 1 14 . 1 1 9 9 ALA N N 9 124.419 124.419 125.573 -1.154 19893 5986 1 14 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.907 -0.500 19893 5987 1 14 . 1 1 9 9 ALA C C 9 177.826 177.826 177.125 0.701 19893 5988 1 14 . 1 1 9 9 ALA CA C 9 52.552 52.552 51.346 1.206 19893 5989 1 14 . 1 1 9 9 ALA CB C 9 19.854 19.854 20.076 -0.222 19893 5990 1 14 . 1 1 9 9 ALA H H 9 8.301 8.301 8.373 -0.072 19893 5991 1 14 . 1 1 10 10 VAL N N 10 120.778 120.778 124.719 -3.941 19893 5992 1 14 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.197 -0.038 19893 5993 1 14 . 1 1 10 10 VAL C C 10 175.233 175.233 174.518 0.715 19893 5994 1 14 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.205 0.928 19893 5995 1 14 . 1 1 10 10 VAL CB C 10 33.820 33.820 34.002 -0.182 19893 5996 1 14 . 1 1 10 10 VAL H H 10 8.095 8.095 8.898 -0.803 19893 5997 1 14 . 1 1 11 11 ASP N N 11 125.133 125.133 127.486 -2.353 19893 5998 1 14 . 1 1 11 11 ASP HA H 11 5.032 5.032 4.998 0.034 19893 5999 1 14 . 1 1 11 11 ASP C C 11 176.892 176.892 174.886 2.006 19893 6000 1 14 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.117 1.476 19893 6001 1 14 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.842 -0.180 19893 6002 1 14 . 1 1 11 11 ASP H H 11 8.285 8.285 8.488 -0.203 19893 6003 1 14 . 1 1 12 12 VAL N N 12 124.553 124.553 123.822 0.731 19893 6004 1 14 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.383 -0.258 19893 6005 1 14 . 1 1 12 12 VAL C C 12 175.226 175.226 174.214 1.012 19893 6006 1 14 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.036 2.586 19893 6007 1 14 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.508 -2.179 19893 6008 1 14 . 1 1 12 12 VAL H H 12 8.615 8.615 8.034 0.581 19893 6009 1 14 . 1 1 13 13 GLU N N 13 130.776 130.776 123.760 7.016 19893 6010 1 14 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.192 -0.101 19893 6011 1 14 . 1 1 13 13 GLU C C 13 175.853 175.853 175.279 0.574 19893 6012 1 14 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.247 1.022 19893 6013 1 14 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.582 0.054 19893 6014 1 14 . 1 1 13 13 GLU H H 13 8.796 8.796 8.570 0.226 19893 6015 1 14 . 1 1 14 14 ILE N N 14 128.969 128.969 124.831 4.138 19893 6016 1 14 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.482 -0.109 19893 6017 1 14 . 1 1 14 14 ILE C C 14 174.048 174.048 173.687 0.361 19893 6018 1 14 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.727 -0.948 19893 6019 1 14 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.127 0.859 19893 6020 1 14 . 1 1 14 14 ILE H H 14 8.602 8.602 9.209 -0.607 19893 6021 1 14 . 1 1 15 15 HIS N N 15 124.354 124.354 126.609 -2.255 19893 6022 1 14 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.896 0.358 19893 6023 1 14 . 1 1 15 15 HIS C C 15 174.830 174.830 174.104 0.726 19893 6024 1 14 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.733 0.655 19893 6025 1 14 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.828 -1.324 19893 6026 1 14 . 1 1 15 15 HIS H H 15 8.926 8.926 9.136 -0.210 19893 6027 1 14 . 1 1 16 16 PHE N N 16 117.887 117.887 125.958 -8.071 19893 6028 1 14 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.943 0.658 19893 6029 1 14 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.264 -1.704 19893 6030 1 14 . 1 1 16 16 PHE CB C 16 42.990 42.990 40.672 2.317 19893 6031 1 14 . 1 1 16 16 PHE H H 16 8.758 8.758 9.058 -0.300 19893 6032 1 14 . 1 1 17 17 PRO HA H 17 4.759 4.759 5.039 -0.280 19893 6033 1 14 . 1 1 17 17 PRO C C 17 178.833 178.833 177.214 1.619 19893 6034 1 14 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.056 1.002 19893 6035 1 14 . 1 1 17 17 PRO CB C 17 31.960 31.960 32.905 -0.945 19893 6036 1 14 . 1 1 18 18 LEU N N 18 131.092 131.092 122.655 8.437 19893 6037 1 14 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.005 -0.259 19893 6038 1 14 . 1 1 18 18 LEU C C 18 177.657 177.657 177.147 0.510 19893 6039 1 14 . 1 1 18 18 LEU CA C 18 59.042 59.042 57.531 1.511 19893 6040 1 14 . 1 1 18 18 LEU CB C 18 43.774 43.774 42.355 1.419 19893 6041 1 14 . 1 1 18 18 LEU H H 18 9.189 9.189 8.803 0.386 19893 6042 1 14 . 1 1 19 19 LYS N N 19 113.358 113.358 113.957 -0.599 19893 6043 1 14 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.337 -0.422 19893 6044 1 14 . 1 1 19 19 LYS C C 19 179.580 179.580 176.417 3.163 19893 6045 1 14 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.610 2.865 19893 6046 1 14 . 1 1 19 19 LYS CB C 19 32.676 32.676 31.574 1.102 19893 6047 1 14 . 1 1 19 19 LYS H H 19 8.967 8.967 7.842 1.125 19893 6048 1 14 . 1 1 20 20 ARG N N 20 113.649 113.649 118.561 -4.912 19893 6049 1 14 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.449 -0.097 19893 6050 1 14 . 1 1 20 20 ARG C C 20 179.148 179.148 176.958 2.190 19893 6051 1 14 . 1 1 20 20 ARG CA C 20 57.803 57.803 57.069 0.734 19893 6052 1 14 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.925 -1.795 19893 6053 1 14 . 1 1 20 20 ARG H H 20 7.118 7.118 7.918 -0.800 19893 6054 1 14 . 1 1 21 21 ILE N N 21 117.305 117.305 116.369 0.936 19893 6055 1 14 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.252 0.066 19893 6056 1 14 . 1 1 21 21 ILE C C 21 175.336 175.336 175.608 -0.272 19893 6057 1 14 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.905 -2.313 19893 6058 1 14 . 1 1 21 21 ILE CB C 21 39.017 39.017 37.822 1.195 19893 6059 1 14 . 1 1 21 21 ILE H H 21 7.752 7.752 7.747 0.005 19893 6060 1 14 . 1 1 22 22 ALA N N 22 123.637 123.637 118.749 4.888 19893 6061 1 14 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.262 -0.175 19893 6062 1 14 . 1 1 22 22 ALA C C 22 177.701 177.701 176.561 1.140 19893 6063 1 14 . 1 1 22 22 ALA CA C 22 53.390 53.390 50.735 2.655 19893 6064 1 14 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.131 0.917 19893 6065 1 14 . 1 1 22 22 ALA H H 22 7.759 7.759 7.304 0.455 19893 6066 1 14 . 1 1 23 23 ALA N N 23 120.182 120.182 121.851 -1.669 19893 6067 1 14 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.552 -0.267 19893 6068 1 14 . 1 1 23 23 ALA C C 23 178.285 178.285 177.579 0.706 19893 6069 1 14 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.368 -0.462 19893 6070 1 14 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.535 -0.345 19893 6071 1 14 . 1 1 23 23 ALA H H 23 6.732 6.732 7.696 -0.964 19893 6072 1 14 . 1 1 24 24 GLU N N 24 119.837 119.837 114.819 5.018 19893 6073 1 14 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.355 -0.190 19893 6074 1 14 . 1 1 24 24 GLU C C 24 179.026 179.026 176.901 2.125 19893 6075 1 14 . 1 1 24 24 GLU CA C 24 59.482 59.482 55.958 3.524 19893 6076 1 14 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.445 -0.468 19893 6077 1 14 . 1 1 24 24 GLU H H 24 8.830 8.830 7.609 1.221 19893 6078 1 14 . 1 1 25 25 GLY N N 25 107.505 107.505 108.331 -0.826 19893 6079 1 14 . 1 1 25 25 GLY C C 25 176.338 176.338 175.605 0.733 19893 6080 1 14 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.798 -0.721 19893 6081 1 14 . 1 1 25 25 GLY H H 25 8.425 8.425 8.642 -0.217 19893 6082 1 14 . 1 1 26 26 TYR N N 26 119.505 119.505 121.783 -2.278 19893 6083 1 14 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.978 0.278 19893 6084 1 14 . 1 1 26 26 TYR C C 26 176.005 176.005 177.432 -1.427 19893 6085 1 14 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.603 -0.889 19893 6086 1 14 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.569 -0.072 19893 6087 1 14 . 1 1 26 26 TYR H H 26 7.262 7.262 7.791 -0.529 19893 6088 1 14 . 1 1 27 27 ALA N N 27 122.574 122.574 119.448 3.126 19893 6089 1 14 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.954 -0.490 19893 6090 1 14 . 1 1 27 27 ALA C C 27 178.550 178.550 179.716 -1.166 19893 6091 1 14 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.815 -0.643 19893 6092 1 14 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.003 0.072 19893 6093 1 14 . 1 1 27 27 ALA H H 27 6.867 6.867 7.802 -0.935 19893 6094 1 14 . 1 1 28 28 GLU N N 28 114.244 114.244 118.762 -4.518 19893 6095 1 14 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.721 0.618 19893 6096 1 14 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.781 -4.529 19893 6097 1 14 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.114 1.331 19893 6098 1 14 . 1 1 28 28 GLU H H 28 7.285 7.285 8.311 -1.026 19893 6099 1 14 . 1 1 29 29 ASP N N 29 120.177 120.177 118.123 2.054 19893 6100 1 14 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.342 0.115 19893 6101 1 14 . 1 1 29 29 ASP C C 29 177.771 177.771 178.995 -1.224 19893 6102 1 14 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.135 -2.687 19893 6103 1 14 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.051 0.638 19893 6104 1 14 . 1 1 29 29 ASP H H 29 7.083 7.083 8.229 -1.146 19893 6105 1 14 . 1 1 30 30 GLU N N 30 129.724 129.724 119.239 10.485 19893 6106 1 14 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.274 -0.312 19893 6107 1 14 . 1 1 30 30 GLU C C 30 178.184 178.184 178.975 -0.791 19893 6108 1 14 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.766 0.591 19893 6109 1 14 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.309 -0.028 19893 6110 1 14 . 1 1 30 30 GLU H H 30 9.081 9.081 7.738 1.343 19893 6111 1 14 . 1 1 31 31 LEU N N 31 120.990 120.990 121.337 -0.347 19893 6112 1 14 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.126 0.033 19893 6113 1 14 . 1 1 31 31 LEU C C 31 180.910 180.910 179.148 1.762 19893 6114 1 14 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.000 1.080 19893 6115 1 14 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.319 -0.637 19893 6116 1 14 . 1 1 31 31 LEU H H 31 8.323 8.323 7.974 0.349 19893 6117 1 14 . 1 1 32 32 LEU N N 32 116.856 116.856 118.724 -1.868 19893 6118 1 14 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.405 -0.453 19893 6119 1 14 . 1 1 32 32 LEU C C 32 179.086 179.086 179.435 -0.349 19893 6120 1 14 . 1 1 32 32 LEU CA C 32 58.018 58.018 56.274 1.744 19893 6121 1 14 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.124 0.827 19893 6122 1 14 . 1 1 32 32 LEU H H 32 7.225 7.225 8.539 -1.314 19893 6123 1 14 . 1 1 33 33 LEU N N 33 117.769 117.769 122.881 -5.112 19893 6124 1 14 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.906 0.016 19893 6125 1 14 . 1 1 33 33 LEU C C 33 181.207 181.207 177.772 3.435 19893 6126 1 14 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.536 0.274 19893 6127 1 14 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.567 0.545 19893 6128 1 14 . 1 1 33 33 LEU H H 33 6.943 6.943 8.035 -1.092 19893 6129 1 14 . 1 1 34 34 ASN N N 34 118.848 118.848 115.745 3.103 19893 6130 1 14 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.352 0.184 19893 6131 1 14 . 1 1 34 34 ASN C C 34 178.881 178.881 177.993 0.888 19893 6132 1 14 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.329 -0.026 19893 6133 1 14 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.601 -0.021 19893 6134 1 14 . 1 1 34 34 ASN H H 34 8.320 8.320 7.919 0.401 19893 6135 1 14 . 1 1 35 35 GLN N N 35 118.808 118.808 118.948 -0.140 19893 6136 1 14 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.079 0.268 19893 6137 1 14 . 1 1 35 35 GLN C C 35 177.483 177.483 178.138 -0.655 19893 6138 1 14 . 1 1 35 35 GLN CA C 35 57.275 57.275 59.441 -2.166 19893 6139 1 14 . 1 1 35 35 GLN CB C 35 29.878 29.878 29.139 0.739 19893 6140 1 14 . 1 1 35 35 GLN H H 35 8.053 8.053 8.554 -0.501 19893 6141 1 14 . 1 1 36 36 MET N N 36 116.334 116.334 118.332 -1.998 19893 6142 1 14 . 1 1 36 36 MET HA H 36 4.718 4.718 4.338 0.380 19893 6143 1 14 . 1 1 36 36 MET C C 36 177.424 177.424 179.032 -1.608 19893 6144 1 14 . 1 1 36 36 MET CA C 36 54.879 54.879 57.198 -2.319 19893 6145 1 14 . 1 1 36 36 MET CB C 36 31.263 31.263 31.382 -0.119 19893 6146 1 14 . 1 1 36 36 MET H H 36 7.596 7.596 8.187 -0.591 19893 6147 1 14 . 1 1 37 37 GLY N N 37 106.238 106.238 106.222 0.016 19893 6148 1 14 . 1 1 37 37 GLY C C 37 175.666 175.666 175.072 0.594 19893 6149 1 14 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.464 1.109 19893 6150 1 14 . 1 1 37 37 GLY H H 37 7.827 7.827 8.207 -0.380 19893 6151 1 14 . 1 1 38 38 LYS N N 38 120.688 120.688 120.645 0.043 19893 6152 1 14 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.157 0.256 19893 6153 1 14 . 1 1 38 38 LYS C C 38 176.395 176.395 179.124 -2.729 19893 6154 1 14 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.308 -1.976 19893 6155 1 14 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.738 -0.647 19893 6156 1 14 . 1 1 38 38 LYS H H 38 8.543 8.543 7.538 1.005 19893 6157 1 14 . 1 1 39 39 VAL N N 39 123.143 123.143 114.825 8.318 19893 6158 1 14 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.755 0.322 19893 6159 1 14 . 1 1 39 39 VAL CA C 39 62.829 62.829 64.898 -2.069 19893 6160 1 14 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.259 1.451 19893 6161 1 14 . 1 1 39 39 VAL H H 39 7.711 7.711 8.338 -0.627 19893 6162 1 14 . 1 1 40 40 ASN N N 40 125.464 125.464 115.674 9.790 19893 6163 1 14 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.859 -0.076 19893 6164 1 14 . 1 1 40 40 ASN C C 40 174.870 174.870 173.904 0.966 19893 6165 1 14 . 1 1 40 40 ASN CA C 40 53.494 53.494 54.165 -0.671 19893 6166 1 14 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.356 0.037 19893 6167 1 14 . 1 1 40 40 ASN H H 40 8.692 8.692 8.163 0.529 19893 6168 1 14 . 1 1 41 41 ASP N N 41 116.195 116.195 118.126 -1.931 19893 6169 1 14 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.447 0.686 19893 6170 1 14 . 1 1 41 41 ASP C C 41 177.048 177.048 175.513 1.535 19893 6171 1 14 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.190 1.232 19893 6172 1 14 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.945 3.408 19893 6173 1 14 . 1 1 41 41 ASP H H 41 8.403 8.403 8.711 -0.308 19893 6174 1 14 . 1 1 42 42 THR N N 42 111.139 111.139 107.607 3.532 19893 6175 1 14 . 1 1 42 42 THR HA H 42 4.646 4.646 4.394 0.252 19893 6176 1 14 . 1 1 42 42 THR CA C 42 57.844 57.844 62.923 -5.079 19893 6177 1 14 . 1 1 42 42 THR CB C 42 70.269 70.269 67.923 2.346 19893 6178 1 14 . 1 1 42 42 THR H H 42 7.532 7.532 7.683 -0.151 19893 6179 1 14 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.590 -0.056 19893 6180 1 14 . 1 1 43 43 PRO C C 43 175.550 175.550 176.324 -0.774 19893 6181 1 14 . 1 1 43 43 PRO CA C 43 63.124 63.124 61.854 1.270 19893 6182 1 14 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.494 3.956 19893 6183 1 14 . 1 1 44 44 GLU N N 44 121.809 121.809 121.468 0.341 19893 6184 1 14 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.250 -0.112 19893 6185 1 14 . 1 1 44 44 GLU C C 44 176.266 176.266 176.098 0.168 19893 6186 1 14 . 1 1 44 44 GLU CA C 44 58.583 58.583 55.911 2.672 19893 6187 1 14 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.091 0.787 19893 6188 1 14 . 1 1 44 44 GLU H H 44 8.515 8.515 8.167 0.348 19893 6189 1 14 . 1 1 45 45 GLU N N 45 122.167 122.167 123.377 -1.210 19893 6190 1 14 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.546 -0.194 19893 6191 1 14 . 1 1 45 45 GLU C C 45 175.468 175.468 175.781 -0.313 19893 6192 1 14 . 1 1 45 45 GLU CA C 45 54.805 54.805 54.761 0.044 19893 6193 1 14 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.447 1.978 19893 6194 1 14 . 1 1 45 45 GLU H H 45 8.406 8.406 8.357 0.049 19893 6195 1 14 . 1 1 46 46 GLU N N 46 123.100 123.100 121.225 1.875 19893 6196 1 14 . 1 1 46 46 GLU HA H 46 3.748 3.748 3.989 -0.241 19893 6197 1 14 . 1 1 46 46 GLU C C 46 177.108 177.108 175.683 1.425 19893 6198 1 14 . 1 1 46 46 GLU CA C 46 57.786 57.786 57.559 0.227 19893 6199 1 14 . 1 1 46 46 GLU CB C 46 28.617 28.617 27.861 0.756 19893 6200 1 14 . 1 1 46 46 GLU H H 46 8.729 8.729 9.157 -0.428 19893 6201 1 14 . 1 1 47 47 GLY N N 47 102.684 102.684 103.989 -1.305 19893 6202 1 14 . 1 1 47 47 GLY C C 47 174.278 174.278 173.044 1.234 19893 6203 1 14 . 1 1 47 47 GLY CA C 47 45.972 45.972 44.837 1.135 19893 6204 1 14 . 1 1 47 47 GLY H H 47 8.513 8.513 7.909 0.604 19893 6205 1 14 . 1 1 48 48 MET N N 48 120.460 120.460 122.454 -1.994 19893 6206 1 14 . 1 1 48 48 MET HA H 48 5.004 5.004 4.918 0.086 19893 6207 1 14 . 1 1 48 48 MET CA C 48 53.307 53.307 52.674 0.633 19893 6208 1 14 . 1 1 48 48 MET CB C 48 35.537 35.537 33.171 2.366 19893 6209 1 14 . 1 1 48 48 MET H H 48 8.056 8.056 8.401 -0.345 19893 6210 1 14 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.968 0.183 19893 6211 1 14 . 1 1 50 50 LEU C C 50 179.381 179.381 178.729 0.652 19893 6212 1 14 . 1 1 50 50 LEU CA C 50 59.884 59.884 57.878 2.006 19893 6213 1 14 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.707 0.088 19893 6214 1 14 . 1 1 51 51 ARG N N 51 113.058 113.058 119.511 -6.453 19893 6215 1 14 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.726 0.100 19893 6216 1 14 . 1 1 51 51 ARG C C 51 178.376 178.376 177.898 0.478 19893 6217 1 14 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.610 1.863 19893 6218 1 14 . 1 1 51 51 ARG CB C 51 31.095 31.095 29.655 1.440 19893 6219 1 14 . 1 1 51 51 ARG H H 51 8.076 8.076 8.405 -0.329 19893 6220 1 14 . 1 1 52 52 ALA N N 52 118.144 118.144 121.594 -3.450 19893 6221 1 14 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.051 0.039 19893 6222 1 14 . 1 1 52 52 ALA C C 52 180.673 180.673 179.816 0.857 19893 6223 1 14 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.881 0.090 19893 6224 1 14 . 1 1 52 52 ALA CB C 52 18.918 18.918 17.916 1.002 19893 6225 1 14 . 1 1 52 52 ALA H H 52 7.095 7.095 7.684 -0.589 19893 6226 1 14 . 1 1 53 53 TRP N N 53 121.809 121.809 117.222 4.587 19893 6227 1 14 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.543 -0.234 19893 6228 1 14 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.569 4.363 19893 6229 1 14 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.648 -0.137 19893 6230 1 14 . 1 1 53 53 TRP H H 53 8.608 8.608 7.803 0.805 19893 6231 1 14 . 1 1 54 54 VAL N N 54 120.508 120.508 122.430 -1.922 19893 6232 1 14 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.840 0.004 19893 6233 1 14 . 1 1 54 54 VAL C C 54 177.917 177.917 178.096 -0.179 19893 6234 1 14 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.249 1.185 19893 6235 1 14 . 1 1 54 54 VAL CB C 54 31.517 31.517 31.025 0.492 19893 6236 1 14 . 1 1 54 54 VAL H H 54 8.352 8.352 7.055 1.297 19893 6237 1 14 . 1 1 55 55 ILE N N 55 118.131 118.131 119.708 -1.577 19893 6238 1 14 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.641 -0.314 19893 6239 1 14 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.854 0.936 19893 6240 1 14 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.384 1.885 19893 6241 1 14 . 1 1 55 55 ILE H H 55 7.574 7.574 7.984 -0.410 19893 6242 1 14 . 1 1 56 56 LYS N N 56 120.517 120.517 120.455 0.062 19893 6243 1 14 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.112 -0.060 19893 6244 1 14 . 1 1 56 56 LYS C C 56 179.574 179.574 179.328 0.246 19893 6245 1 14 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.952 0.623 19893 6246 1 14 . 1 1 56 56 LYS CB C 56 33.131 33.131 32.092 1.039 19893 6247 1 14 . 1 1 56 56 LYS H H 56 8.354 8.354 8.224 0.130 19893 6248 1 14 . 1 1 57 57 CYS N N 57 116.239 116.239 117.759 -1.520 19893 6249 1 14 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.190 -0.276 19893 6250 1 14 . 1 1 57 57 CYS C C 57 178.985 178.985 176.865 2.120 19893 6251 1 14 . 1 1 57 57 CYS CA C 57 63.432 63.432 62.787 0.645 19893 6252 1 14 . 1 1 57 57 CYS CB C 57 27.589 27.589 27.186 0.403 19893 6253 1 14 . 1 1 57 57 CYS H H 57 8.501 8.501 8.374 0.127 19893 6254 1 14 . 1 1 58 58 ALA N N 58 123.819 123.819 122.418 1.401 19893 6255 1 14 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.165 -0.130 19893 6256 1 14 . 1 1 58 58 ALA C C 58 177.753 177.753 178.623 -0.870 19893 6257 1 14 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.249 0.828 19893 6258 1 14 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.175 0.054 19893 6259 1 14 . 1 1 58 58 ALA H H 58 8.605 8.605 8.266 0.339 19893 6260 1 14 . 1 1 59 59 HIS N N 59 115.595 115.595 119.326 -3.731 19893 6261 1 14 . 1 1 59 59 HIS HA H 59 3.515 3.515 3.989 -0.474 19893 6262 1 14 . 1 1 59 59 HIS C C 59 177.271 177.271 177.360 -0.089 19893 6263 1 14 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.651 1.049 19893 6264 1 14 . 1 1 59 59 HIS CB C 59 27.791 27.791 30.088 -2.297 19893 6265 1 14 . 1 1 59 59 HIS H H 59 8.132 8.132 8.877 -0.745 19893 6266 1 14 . 1 1 60 60 GLU N N 60 117.847 117.847 117.866 -0.019 19893 6267 1 14 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.882 -0.108 19893 6268 1 14 . 1 1 60 60 GLU C C 60 179.157 179.157 178.312 0.845 19893 6269 1 14 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.420 1.354 19893 6270 1 14 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.227 0.670 19893 6271 1 14 . 1 1 60 60 GLU H H 60 8.623 8.623 8.252 0.371 19893 6272 1 14 . 1 1 61 61 ALA N N 61 122.193 122.193 121.946 0.247 19893 6273 1 14 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.166 -0.103 19893 6274 1 14 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.428 0.906 19893 6275 1 14 . 1 1 61 61 ALA CB C 61 18.359 18.359 18.888 -0.529 19893 6276 1 14 . 1 1 61 61 ALA H H 61 7.891 7.891 7.664 0.227 19893 6277 1 14 . 1 1 62 62 LEU N N 62 120.135 120.135 118.894 1.241 19893 6278 1 14 . 1 1 62 62 LEU HA H 62 3.961 3.961 3.929 0.032 19893 6279 1 14 . 1 1 62 62 LEU C C 62 178.813 178.813 178.649 0.164 19893 6280 1 14 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.409 0.110 19893 6281 1 14 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.473 1.211 19893 6282 1 14 . 1 1 62 62 LEU H H 62 7.080 7.080 8.113 -1.033 19893 6283 1 14 . 1 1 63 63 GLU N N 63 118.288 118.288 118.848 -0.560 19893 6284 1 14 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.982 -0.276 19893 6285 1 14 . 1 1 63 63 GLU C C 63 179.261 179.261 177.644 1.617 19893 6286 1 14 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.562 0.633 19893 6287 1 14 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.375 0.690 19893 6288 1 14 . 1 1 63 63 GLU H H 63 7.594 7.594 7.993 -0.399 19893 6289 1 14 . 1 1 64 64 LYS N N 64 116.167 116.167 119.031 -2.864 19893 6290 1 14 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.169 -0.092 19893 6291 1 14 . 1 1 64 64 LYS C C 64 177.763 177.763 176.639 1.124 19893 6292 1 14 . 1 1 64 64 LYS H H 64 7.342 7.342 7.537 -0.195 19893 6293 1 14 . 1 1 65 65 ASN N N 65 113.899 113.899 117.436 -3.537 19893 6294 1 14 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.995 -0.040 19893 6295 1 14 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.089 0.764 19893 6296 1 14 . 1 1 65 65 ASN CB C 65 39.463 39.463 40.146 -0.683 19893 6297 1 14 . 1 1 65 65 ASN H H 65 7.480 7.480 7.779 -0.299 19893 6298 1 14 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.686 -0.091 19893 6299 1 14 . 1 1 66 66 PRO C C 66 177.769 177.769 175.413 2.356 19893 6300 1 14 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.342 2.135 19893 6301 1 14 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.495 2.345 19893 6302 1 14 . 1 1 67 67 LYS N N 67 115.189 115.189 119.439 -4.250 19893 6303 1 14 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.598 -0.334 19893 6304 1 14 . 1 1 67 67 LYS C C 67 178.271 178.271 174.719 3.552 19893 6305 1 14 . 1 1 67 67 LYS CA C 67 55.906 55.906 54.715 1.191 19893 6306 1 14 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.998 -2.867 19893 6307 1 14 . 1 1 67 67 LYS H H 67 7.611 7.611 7.565 0.046 19893 6308 1 14 . 1 1 68 68 ILE N N 68 118.905 118.905 123.005 -4.100 19893 6309 1 14 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.256 -1.086 19893 6310 1 14 . 1 1 68 68 ILE C C 68 177.006 177.006 174.923 2.083 19893 6311 1 14 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.834 3.539 19893 6312 1 14 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.667 0.249 19893 6313 1 14 . 1 1 68 68 ILE H H 68 7.662 7.662 8.553 -0.891 19893 6314 1 14 . 1 1 69 69 ARG N N 69 119.690 119.690 129.526 -9.836 19893 6315 1 14 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.675 0.281 19893 6316 1 14 . 1 1 69 69 ARG C C 69 175.294 175.294 173.735 1.559 19893 6317 1 14 . 1 1 69 69 ARG CA C 69 54.493 54.493 55.051 -0.558 19893 6318 1 14 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.616 -3.129 19893 6319 1 14 . 1 1 69 69 ARG H H 69 9.018 9.018 9.236 -0.218 19893 6320 1 14 . 1 1 70 70 GLU N N 70 116.461 116.461 124.147 -7.686 19893 6321 1 14 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.884 0.077 19893 6322 1 14 . 1 1 70 70 GLU C C 70 174.398 174.398 174.516 -0.118 19893 6323 1 14 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.693 -0.156 19893 6324 1 14 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.537 0.313 19893 6325 1 14 . 1 1 70 70 GLU H H 70 7.565 7.565 8.586 -1.021 19893 6326 1 14 . 1 1 71 71 VAL N N 71 116.838 116.838 119.656 -2.818 19893 6327 1 14 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.227 0.234 19893 6328 1 14 . 1 1 71 71 VAL CA C 71 61.024 61.024 59.718 1.306 19893 6329 1 14 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.097 -0.320 19893 6330 1 14 . 1 1 71 71 VAL H H 71 8.946 8.946 8.634 0.312 19893 6331 1 14 . 1 1 72 72 TYR N N 72 125.566 125.566 119.672 5.894 19893 6332 1 14 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.773 0.660 19893 6333 1 14 . 1 1 72 72 TYR C C 72 176.183 176.183 173.973 2.210 19893 6334 1 14 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.042 2.908 19893 6335 1 14 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.302 0.911 19893 6336 1 14 . 1 1 72 72 TYR H H 72 8.689 8.689 7.724 0.965 19893 6337 1 14 . 1 1 73 73 LEU N N 73 122.757 122.757 123.095 -0.338 19893 6338 1 14 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.818 0.202 19893 6339 1 14 . 1 1 73 73 LEU C C 73 176.134 176.134 175.927 0.207 19893 6340 1 14 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.038 -0.330 19893 6341 1 14 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.406 0.943 19893 6342 1 14 . 1 1 73 73 LEU H H 73 9.202 9.202 8.976 0.226 19893 6343 1 14 . 1 1 74 74 LYS N N 74 124.941 124.941 120.940 4.001 19893 6344 1 14 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.085 0.251 19893 6345 1 14 . 1 1 74 74 LYS CA C 74 53.473 53.473 53.053 0.420 19893 6346 1 14 . 1 1 74 74 LYS CB C 74 34.986 34.986 36.160 -1.174 19893 6347 1 14 . 1 1 74 74 LYS H H 74 9.205 9.205 8.649 0.556 19893 6348 1 14 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.567 1.392 19893 6349 1 14 . 1 1 75 75 PRO C C 75 176.549 176.549 177.177 -0.628 19893 6350 1 14 . 1 1 75 75 PRO CA C 75 63.450 63.450 61.786 1.664 19893 6351 1 14 . 1 1 75 75 PRO CB C 75 32.618 32.618 32.133 0.485 19893 6352 1 14 . 1 1 76 76 ARG N N 76 122.429 122.429 117.890 4.539 19893 6353 1 14 . 1 1 76 76 ARG HA H 76 4.408 4.408 3.905 0.503 19893 6354 1 14 . 1 1 76 76 ARG C C 76 178.244 178.244 176.407 1.837 19893 6355 1 14 . 1 1 76 76 ARG CA C 76 56.823 56.823 56.428 0.395 19893 6356 1 14 . 1 1 76 76 ARG CB C 76 32.455 32.455 29.833 2.622 19893 6357 1 14 . 1 1 76 76 ARG H H 76 10.063 10.063 8.088 1.975 19893 6358 1 14 . 1 1 77 77 ALA N N 77 127.287 127.287 119.610 7.677 19893 6359 1 14 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.397 -0.256 19893 6360 1 14 . 1 1 77 77 ALA C C 77 179.691 179.691 176.326 3.365 19893 6361 1 14 . 1 1 77 77 ALA CA C 77 54.868 54.868 52.590 2.278 19893 6362 1 14 . 1 1 77 77 ALA CB C 77 19.502 19.502 18.358 1.144 19893 6363 1 14 . 1 1 77 77 ALA H H 77 9.710 9.710 7.506 2.204 19893 6364 1 14 . 1 1 78 78 VAL N N 78 118.326 118.326 122.463 -4.137 19893 6365 1 14 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.288 -0.267 19893 6366 1 14 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.940 -0.459 19893 6367 1 14 . 1 1 78 78 VAL CB C 78 32.599 32.599 34.367 -1.768 19893 6368 1 14 . 1 1 78 78 VAL H H 78 7.954 7.954 9.664 -1.710 19893 6369 1 14 . 1 1 79 79 LYS N N 79 125.429 125.429 119.256 6.173 19893 6370 1 14 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.371 4.417 19893 6371 1 14 . 1 1 79 79 LYS H H 79 8.695 8.695 8.795 -0.100 19893 6372 1 14 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.555 0.235 19893 6373 1 14 . 1 1 80 80 ASN C C 80 175.317 175.317 175.913 -0.596 19893 6374 1 14 . 1 1 80 80 ASN CA C 80 53.704 53.704 54.338 -0.634 19893 6375 1 14 . 1 1 80 80 ASN CB C 80 38.854 38.854 38.944 -0.090 19893 6376 1 14 . 1 1 81 81 SER N N 81 113.408 113.408 122.294 -8.886 19893 6377 1 14 . 1 1 81 81 SER HA H 81 4.408 4.408 4.505 -0.097 19893 6378 1 14 . 1 1 81 81 SER CA C 81 59.296 59.296 60.821 -1.524 19893 6379 1 14 . 1 1 81 81 SER CB C 81 64.171 64.171 64.019 0.152 19893 6380 1 14 . 1 1 81 81 SER H H 81 7.715 7.715 8.992 -1.277 19893 6381 1 14 . 1 1 82 82 SER N N 82 117.894 117.894 113.177 4.717 19893 6382 1 14 . 1 1 82 82 SER HA H 82 4.541 4.541 4.552 -0.011 19893 6383 1 14 . 1 1 82 82 SER C C 82 174.196 174.196 172.424 1.772 19893 6384 1 14 . 1 1 82 82 SER CA C 82 58.767 58.767 58.549 0.218 19893 6385 1 14 . 1 1 82 82 SER CB C 82 64.382 64.382 63.165 1.217 19893 6386 1 14 . 1 1 82 82 SER H H 82 8.472 8.472 8.023 0.449 19893 6387 1 14 . 1 1 83 83 VAL N N 83 122.430 122.430 122.836 -0.406 19893 6388 1 14 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.499 -0.098 19893 6389 1 14 . 1 1 83 83 VAL C C 83 174.614 174.614 173.617 0.997 19893 6390 1 14 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.610 1.922 19893 6391 1 14 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.374 1.014 19893 6392 1 14 . 1 1 83 83 VAL H H 83 7.686 7.686 7.789 -0.103 19893 6393 1 14 . 1 1 84 84 GLN N N 84 123.141 123.141 127.087 -3.946 19893 6394 1 14 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.235 -0.448 19893 6395 1 14 . 1 1 84 84 GLN C C 84 174.077 174.077 175.132 -1.055 19893 6396 1 14 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.294 0.779 19893 6397 1 14 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.920 -0.197 19893 6398 1 14 . 1 1 84 84 GLN H H 84 8.287 8.287 8.913 -0.626 19893 6399 1 14 . 1 1 85 85 PHE N N 85 121.281 121.281 119.157 2.124 19893 6400 1 14 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.021 0.267 19893 6401 1 14 . 1 1 85 85 PHE C C 85 175.063 175.063 175.431 -0.368 19893 6402 1 14 . 1 1 85 85 PHE CA C 85 57.435 57.435 57.103 0.332 19893 6403 1 14 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.799 -2.591 19893 6404 1 14 . 1 1 85 85 PHE H H 85 9.241 9.241 9.644 -0.403 19893 6405 1 14 . 1 1 86 86 HIS N N 86 125.300 125.300 121.714 3.586 19893 6406 1 14 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.073 -0.326 19893 6407 1 14 . 1 1 86 86 HIS C C 86 172.315 172.315 173.152 -0.837 19893 6408 1 14 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.313 -2.960 19893 6409 1 14 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.837 -2.752 19893 6410 1 14 . 1 1 86 86 HIS H H 86 9.340 9.340 9.030 0.310 19893 6411 1 14 . 1 1 87 87 VAL N N 87 127.396 127.396 127.999 -0.603 19893 6412 1 14 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.329 -1.106 19893 6413 1 14 . 1 1 87 87 VAL C C 87 173.887 173.887 173.389 0.498 19893 6414 1 14 . 1 1 87 87 VAL CA C 87 61.138 61.138 58.552 2.586 19893 6415 1 14 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.983 -4.007 19893 6416 1 14 . 1 1 87 87 VAL H H 87 8.722 8.722 9.136 -0.414 19893 6417 1 14 . 1 1 88 88 ILE N N 88 127.814 127.814 129.818 -2.004 19893 6418 1 14 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.246 -0.461 19893 6419 1 14 . 1 1 88 88 ILE C C 88 174.542 174.542 175.023 -0.481 19893 6420 1 14 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.788 0.632 19893 6421 1 14 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.451 2.617 19893 6422 1 14 . 1 1 88 88 ILE H H 88 8.605 8.605 8.609 -0.004 19893 6423 1 14 . 1 1 89 89 PHE N N 89 125.156 125.156 128.668 -3.512 19893 6424 1 14 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.173 0.508 19893 6425 1 14 . 1 1 89 89 PHE C C 89 175.138 175.138 175.514 -0.376 19893 6426 1 14 . 1 1 89 89 PHE CA C 89 53.319 53.319 54.878 -1.559 19893 6427 1 14 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.863 1.547 19893 6428 1 14 . 1 1 89 89 PHE H H 89 7.872 7.872 9.052 -1.180 19893 6429 1 14 . 1 1 90 90 ASP N N 90 125.113 125.113 126.510 -1.397 19893 6430 1 14 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.936 -0.125 19893 6431 1 14 . 1 1 90 90 ASP C C 90 176.988 176.988 175.111 1.877 19893 6432 1 14 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.986 0.515 19893 6433 1 14 . 1 1 90 90 ASP CB C 90 42.286 42.286 42.309 -0.023 19893 6434 1 14 . 1 1 90 90 ASP H H 90 8.740 8.740 9.039 -0.299 19893 6435 1 14 . 1 1 91 91 GLU N N 91 124.589 124.589 127.445 -2.856 19893 6436 1 14 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.705 -0.331 19893 6437 1 14 . 1 1 91 91 GLU C C 91 175.801 175.801 174.211 1.590 19893 6438 1 14 . 1 1 91 91 GLU CA C 91 57.471 57.471 55.077 2.394 19893 6439 1 14 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.462 0.730 19893 6440 1 14 . 1 1 91 91 GLU H H 91 9.028 9.028 8.645 0.383 19893 6441 1 15 . 1 1 8 8 PRO HA H 8 4.352 4.352 4.497 -0.145 19893 6442 1 15 . 1 1 8 8 PRO C C 8 176.467 176.467 175.300 1.167 19893 6443 1 15 . 1 1 8 8 PRO CA C 8 63.363 63.363 63.509 -0.146 19893 6444 1 15 . 1 1 8 8 PRO CB C 8 32.389 32.389 29.407 2.982 19893 6445 1 15 . 1 1 9 9 ALA N N 9 124.419 124.419 122.702 1.717 19893 6446 1 15 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.725 -0.318 19893 6447 1 15 . 1 1 9 9 ALA C C 9 177.826 177.826 175.476 2.350 19893 6448 1 15 . 1 1 9 9 ALA CA C 9 52.552 52.552 52.042 0.510 19893 6449 1 15 . 1 1 9 9 ALA CB C 9 19.854 19.854 21.929 -2.075 19893 6450 1 15 . 1 1 9 9 ALA H H 9 8.301 8.301 8.123 0.178 19893 6451 1 15 . 1 1 10 10 VAL N N 10 120.778 120.778 122.815 -2.037 19893 6452 1 15 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.329 -0.170 19893 6453 1 15 . 1 1 10 10 VAL C C 10 175.233 175.233 174.050 1.183 19893 6454 1 15 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.821 0.312 19893 6455 1 15 . 1 1 10 10 VAL CB C 10 33.820 33.820 34.355 -0.535 19893 6456 1 15 . 1 1 10 10 VAL H H 10 8.095 8.095 8.994 -0.899 19893 6457 1 15 . 1 1 11 11 ASP N N 11 125.133 125.133 128.195 -3.062 19893 6458 1 15 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.383 -0.351 19893 6459 1 15 . 1 1 11 11 ASP C C 11 176.892 176.892 175.350 1.542 19893 6460 1 15 . 1 1 11 11 ASP CA C 11 54.593 54.593 53.056 1.537 19893 6461 1 15 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.813 -0.151 19893 6462 1 15 . 1 1 11 11 ASP H H 11 8.285 8.285 8.671 -0.386 19893 6463 1 15 . 1 1 12 12 VAL N N 12 124.553 124.553 125.677 -1.124 19893 6464 1 15 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.231 -0.106 19893 6465 1 15 . 1 1 12 12 VAL C C 12 175.226 175.226 174.249 0.977 19893 6466 1 15 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.102 2.520 19893 6467 1 15 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.254 -1.926 19893 6468 1 15 . 1 1 12 12 VAL H H 12 8.615 8.615 8.916 -0.301 19893 6469 1 15 . 1 1 13 13 GLU N N 13 130.776 130.776 124.168 6.608 19893 6470 1 15 . 1 1 13 13 GLU HA H 13 5.091 5.091 4.994 0.097 19893 6471 1 15 . 1 1 13 13 GLU C C 13 175.853 175.853 175.024 0.829 19893 6472 1 15 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.133 1.136 19893 6473 1 15 . 1 1 13 13 GLU CB C 13 31.636 31.636 32.015 -0.379 19893 6474 1 15 . 1 1 13 13 GLU H H 13 8.796 8.796 8.356 0.440 19893 6475 1 15 . 1 1 14 14 ILE N N 14 128.969 128.969 124.530 4.439 19893 6476 1 15 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.321 0.052 19893 6477 1 15 . 1 1 14 14 ILE C C 14 174.048 174.048 173.840 0.208 19893 6478 1 15 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.661 -0.882 19893 6479 1 15 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.115 0.871 19893 6480 1 15 . 1 1 14 14 ILE H H 14 8.602 8.602 8.976 -0.374 19893 6481 1 15 . 1 1 15 15 HIS N N 15 124.354 124.354 125.020 -0.666 19893 6482 1 15 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.865 0.389 19893 6483 1 15 . 1 1 15 15 HIS C C 15 174.830 174.830 173.699 1.131 19893 6484 1 15 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.548 0.839 19893 6485 1 15 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.529 -1.025 19893 6486 1 15 . 1 1 15 15 HIS H H 15 8.926 8.926 8.761 0.165 19893 6487 1 15 . 1 1 16 16 PHE N N 16 117.887 117.887 126.145 -8.258 19893 6488 1 15 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.955 0.646 19893 6489 1 15 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.758 -2.198 19893 6490 1 15 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.405 1.585 19893 6491 1 15 . 1 1 16 16 PHE H H 16 8.758 8.758 8.970 -0.212 19893 6492 1 15 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.901 -0.142 19893 6493 1 15 . 1 1 17 17 PRO C C 17 178.833 178.833 175.689 3.144 19893 6494 1 15 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.022 1.036 19893 6495 1 15 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.360 -1.400 19893 6496 1 15 . 1 1 18 18 LEU N N 18 131.092 131.092 120.907 10.185 19893 6497 1 15 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.150 -0.404 19893 6498 1 15 . 1 1 18 18 LEU C C 18 177.657 177.657 176.209 1.448 19893 6499 1 15 . 1 1 18 18 LEU CA C 18 59.042 59.042 55.378 3.664 19893 6500 1 15 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.128 2.646 19893 6501 1 15 . 1 1 18 18 LEU H H 18 9.189 9.189 8.356 0.833 19893 6502 1 15 . 1 1 19 19 LYS N N 19 113.358 113.358 115.312 -1.954 19893 6503 1 15 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.364 -0.449 19893 6504 1 15 . 1 1 19 19 LYS C C 19 179.580 179.580 176.953 2.627 19893 6505 1 15 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.394 3.081 19893 6506 1 15 . 1 1 19 19 LYS CB C 19 32.676 32.676 33.032 -0.356 19893 6507 1 15 . 1 1 19 19 LYS H H 19 8.967 8.967 7.986 0.981 19893 6508 1 15 . 1 1 20 20 ARG N N 20 113.649 113.649 117.893 -4.244 19893 6509 1 15 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.521 -0.169 19893 6510 1 15 . 1 1 20 20 ARG C C 20 179.148 179.148 178.748 0.400 19893 6511 1 15 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.589 1.214 19893 6512 1 15 . 1 1 20 20 ARG CB C 20 31.130 31.130 31.909 -0.779 19893 6513 1 15 . 1 1 20 20 ARG H H 20 7.118 7.118 7.622 -0.504 19893 6514 1 15 . 1 1 21 21 ILE N N 21 117.305 117.305 116.220 1.085 19893 6515 1 15 . 1 1 21 21 ILE HA H 21 4.318 4.318 3.874 0.444 19893 6516 1 15 . 1 1 21 21 ILE C C 21 175.336 175.336 175.986 -0.650 19893 6517 1 15 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.867 -2.275 19893 6518 1 15 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.689 2.328 19893 6519 1 15 . 1 1 21 21 ILE H H 21 7.752 7.752 7.461 0.291 19893 6520 1 15 . 1 1 22 22 ALA N N 22 123.637 123.637 120.726 2.911 19893 6521 1 15 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.334 -0.247 19893 6522 1 15 . 1 1 22 22 ALA C C 22 177.701 177.701 176.973 0.728 19893 6523 1 15 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.759 1.631 19893 6524 1 15 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.399 0.649 19893 6525 1 15 . 1 1 22 22 ALA H H 22 7.759 7.759 8.005 -0.246 19893 6526 1 15 . 1 1 23 23 ALA N N 23 120.182 120.182 122.809 -2.627 19893 6527 1 15 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.241 0.044 19893 6528 1 15 . 1 1 23 23 ALA C C 23 178.285 178.285 176.967 1.318 19893 6529 1 15 . 1 1 23 23 ALA CA C 23 52.906 52.906 51.660 1.246 19893 6530 1 15 . 1 1 23 23 ALA CB C 23 20.190 20.190 19.885 0.305 19893 6531 1 15 . 1 1 23 23 ALA H H 23 6.732 6.732 7.754 -1.022 19893 6532 1 15 . 1 1 24 24 GLU N N 24 119.837 119.837 120.070 -0.233 19893 6533 1 15 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.357 -0.192 19893 6534 1 15 . 1 1 24 24 GLU C C 24 179.026 179.026 178.450 0.576 19893 6535 1 15 . 1 1 24 24 GLU CA C 24 59.482 59.482 55.981 3.501 19893 6536 1 15 . 1 1 24 24 GLU CB C 24 29.977 29.977 29.831 0.145 19893 6537 1 15 . 1 1 24 24 GLU H H 24 8.830 8.830 8.608 0.222 19893 6538 1 15 . 1 1 25 25 GLY N N 25 107.505 107.505 108.073 -0.568 19893 6539 1 15 . 1 1 25 25 GLY C C 25 176.338 176.338 175.669 0.669 19893 6540 1 15 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.738 -0.661 19893 6541 1 15 . 1 1 25 25 GLY H H 25 8.425 8.425 8.554 -0.129 19893 6542 1 15 . 1 1 26 26 TYR N N 26 119.505 119.505 122.168 -2.663 19893 6543 1 15 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.995 0.261 19893 6544 1 15 . 1 1 26 26 TYR C C 26 176.005 176.005 177.228 -1.223 19893 6545 1 15 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.447 -0.733 19893 6546 1 15 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.676 -0.179 19893 6547 1 15 . 1 1 26 26 TYR H H 26 7.262 7.262 7.727 -0.465 19893 6548 1 15 . 1 1 27 27 ALA N N 27 122.574 122.574 119.345 3.229 19893 6549 1 15 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.982 -0.518 19893 6550 1 15 . 1 1 27 27 ALA C C 27 178.550 178.550 179.694 -1.144 19893 6551 1 15 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.863 -0.691 19893 6552 1 15 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.081 -0.006 19893 6553 1 15 . 1 1 27 27 ALA H H 27 6.867 6.867 7.953 -1.086 19893 6554 1 15 . 1 1 28 28 GLU N N 28 114.244 114.244 118.916 -4.672 19893 6555 1 15 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.763 0.576 19893 6556 1 15 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.417 -4.165 19893 6557 1 15 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.392 1.053 19893 6558 1 15 . 1 1 28 28 GLU H H 28 7.285 7.285 8.300 -1.015 19893 6559 1 15 . 1 1 29 29 ASP N N 29 120.177 120.177 118.640 1.537 19893 6560 1 15 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.341 0.116 19893 6561 1 15 . 1 1 29 29 ASP C C 29 177.771 177.771 179.103 -1.332 19893 6562 1 15 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.331 -2.883 19893 6563 1 15 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.075 0.614 19893 6564 1 15 . 1 1 29 29 ASP H H 29 7.083 7.083 8.009 -0.926 19893 6565 1 15 . 1 1 30 30 GLU N N 30 129.724 129.724 118.903 10.821 19893 6566 1 15 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.269 -0.307 19893 6567 1 15 . 1 1 30 30 GLU C C 30 178.184 178.184 178.926 -0.742 19893 6568 1 15 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.946 0.410 19893 6569 1 15 . 1 1 30 30 GLU CB C 30 30.281 30.281 29.987 0.294 19893 6570 1 15 . 1 1 30 30 GLU H H 30 9.081 9.081 7.723 1.358 19893 6571 1 15 . 1 1 31 31 LEU N N 31 120.990 120.990 121.407 -0.417 19893 6572 1 15 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.205 -0.046 19893 6573 1 15 . 1 1 31 31 LEU C C 31 180.910 180.910 178.662 2.248 19893 6574 1 15 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.137 0.943 19893 6575 1 15 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.020 -0.338 19893 6576 1 15 . 1 1 31 31 LEU H H 31 8.323 8.323 7.792 0.531 19893 6577 1 15 . 1 1 32 32 LEU N N 32 116.856 116.856 119.240 -2.384 19893 6578 1 15 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.384 -0.432 19893 6579 1 15 . 1 1 32 32 LEU C C 32 179.086 179.086 179.227 -0.141 19893 6580 1 15 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.574 0.444 19893 6581 1 15 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.978 -0.027 19893 6582 1 15 . 1 1 32 32 LEU H H 32 7.225 7.225 8.578 -1.353 19893 6583 1 15 . 1 1 33 33 LEU N N 33 117.769 117.769 121.520 -3.751 19893 6584 1 15 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.899 0.023 19893 6585 1 15 . 1 1 33 33 LEU C C 33 181.207 181.207 177.950 3.257 19893 6586 1 15 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.445 0.365 19893 6587 1 15 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.616 0.496 19893 6588 1 15 . 1 1 33 33 LEU H H 33 6.943 6.943 8.126 -1.183 19893 6589 1 15 . 1 1 34 34 ASN N N 34 118.848 118.848 115.996 2.852 19893 6590 1 15 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.373 0.163 19893 6591 1 15 . 1 1 34 34 ASN C C 34 178.881 178.881 177.928 0.953 19893 6592 1 15 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.212 0.091 19893 6593 1 15 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.703 -0.123 19893 6594 1 15 . 1 1 34 34 ASN H H 34 8.320 8.320 7.970 0.350 19893 6595 1 15 . 1 1 35 35 GLN N N 35 118.808 118.808 118.536 0.272 19893 6596 1 15 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.260 0.087 19893 6597 1 15 . 1 1 35 35 GLN C C 35 177.483 177.483 178.387 -0.904 19893 6598 1 15 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.318 -1.043 19893 6599 1 15 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.707 1.171 19893 6600 1 15 . 1 1 35 35 GLN H H 35 8.053 8.053 8.246 -0.194 19893 6601 1 15 . 1 1 36 36 MET N N 36 116.334 116.334 121.464 -5.130 19893 6602 1 15 . 1 1 36 36 MET HA H 36 4.718 4.718 4.326 0.392 19893 6603 1 15 . 1 1 36 36 MET C C 36 177.424 177.424 178.669 -1.245 19893 6604 1 15 . 1 1 36 36 MET CA C 36 54.879 54.879 56.878 -1.999 19893 6605 1 15 . 1 1 36 36 MET CB C 36 31.263 31.263 31.975 -0.712 19893 6606 1 15 . 1 1 36 36 MET H H 36 7.596 7.596 7.916 -0.320 19893 6607 1 15 . 1 1 37 37 GLY N N 37 106.238 106.238 105.430 0.808 19893 6608 1 15 . 1 1 37 37 GLY C C 37 175.666 175.666 175.261 0.405 19893 6609 1 15 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.392 1.181 19893 6610 1 15 . 1 1 37 37 GLY H H 37 7.827 7.827 8.013 -0.186 19893 6611 1 15 . 1 1 38 38 LYS N N 38 120.688 120.688 121.034 -0.346 19893 6612 1 15 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.130 0.283 19893 6613 1 15 . 1 1 38 38 LYS C C 38 176.395 176.395 179.272 -2.877 19893 6614 1 15 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.732 -2.400 19893 6615 1 15 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.827 -0.736 19893 6616 1 15 . 1 1 38 38 LYS H H 38 8.543 8.543 7.542 1.001 19893 6617 1 15 . 1 1 39 39 VAL N N 39 123.143 123.143 114.668 8.475 19893 6618 1 15 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.767 0.310 19893 6619 1 15 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.321 -2.492 19893 6620 1 15 . 1 1 39 39 VAL CB C 39 33.710 33.710 31.835 1.875 19893 6621 1 15 . 1 1 39 39 VAL H H 39 7.711 7.711 8.354 -0.643 19893 6622 1 15 . 1 1 40 40 ASN N N 40 125.464 125.464 115.042 10.422 19893 6623 1 15 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.820 -0.037 19893 6624 1 15 . 1 1 40 40 ASN C C 40 174.870 174.870 175.766 -0.896 19893 6625 1 15 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.909 -0.415 19893 6626 1 15 . 1 1 40 40 ASN CB C 40 40.393 40.393 39.993 0.400 19893 6627 1 15 . 1 1 40 40 ASN H H 40 8.692 8.692 7.739 0.953 19893 6628 1 15 . 1 1 41 41 ASP N N 41 116.195 116.195 119.111 -2.916 19893 6629 1 15 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.464 0.669 19893 6630 1 15 . 1 1 41 41 ASP C C 41 177.048 177.048 177.241 -0.193 19893 6631 1 15 . 1 1 41 41 ASP CA C 41 56.422 56.422 57.080 -0.657 19893 6632 1 15 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.996 3.357 19893 6633 1 15 . 1 1 41 41 ASP H H 41 8.403 8.403 8.880 -0.477 19893 6634 1 15 . 1 1 42 42 THR N N 42 111.139 111.139 112.501 -1.362 19893 6635 1 15 . 1 1 42 42 THR HA H 42 4.646 4.646 4.532 0.114 19893 6636 1 15 . 1 1 42 42 THR CA C 42 57.844 57.844 64.363 -6.519 19893 6637 1 15 . 1 1 42 42 THR CB C 42 70.269 70.269 68.210 2.059 19893 6638 1 15 . 1 1 42 42 THR H H 42 7.532 7.532 8.192 -0.660 19893 6639 1 15 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.461 0.073 19893 6640 1 15 . 1 1 43 43 PRO C C 43 175.550 175.550 176.691 -1.141 19893 6641 1 15 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.642 0.482 19893 6642 1 15 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.491 3.959 19893 6643 1 15 . 1 1 44 44 GLU N N 44 121.809 121.809 122.398 -0.589 19893 6644 1 15 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.313 -0.175 19893 6645 1 15 . 1 1 44 44 GLU C C 44 176.266 176.266 175.853 0.413 19893 6646 1 15 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.262 2.321 19893 6647 1 15 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.250 0.628 19893 6648 1 15 . 1 1 44 44 GLU H H 44 8.515 8.515 8.289 0.226 19893 6649 1 15 . 1 1 45 45 GLU N N 45 122.167 122.167 120.910 1.257 19893 6650 1 15 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.412 -0.060 19893 6651 1 15 . 1 1 45 45 GLU C C 45 175.468 175.468 177.400 -1.932 19893 6652 1 15 . 1 1 45 45 GLU CA C 45 54.805 54.805 57.479 -2.674 19893 6653 1 15 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.474 1.951 19893 6654 1 15 . 1 1 45 45 GLU H H 45 8.406 8.406 8.812 -0.406 19893 6655 1 15 . 1 1 46 46 GLU N N 46 123.100 123.100 118.793 4.307 19893 6656 1 15 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.520 -0.772 19893 6657 1 15 . 1 1 46 46 GLU C C 46 177.108 177.108 177.464 -0.356 19893 6658 1 15 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.749 1.037 19893 6659 1 15 . 1 1 46 46 GLU CB C 46 28.617 28.617 29.232 -0.615 19893 6660 1 15 . 1 1 46 46 GLU H H 46 8.729 8.729 8.348 0.381 19893 6661 1 15 . 1 1 47 47 GLY N N 47 102.684 102.684 109.189 -6.505 19893 6662 1 15 . 1 1 47 47 GLY C C 47 174.278 174.278 173.901 0.377 19893 6663 1 15 . 1 1 47 47 GLY CA C 47 45.972 45.972 44.923 1.049 19893 6664 1 15 . 1 1 47 47 GLY H H 47 8.513 8.513 8.022 0.491 19893 6665 1 15 . 1 1 48 48 MET N N 48 120.460 120.460 119.519 0.941 19893 6666 1 15 . 1 1 48 48 MET HA H 48 5.004 5.004 4.897 0.107 19893 6667 1 15 . 1 1 48 48 MET CA C 48 53.307 53.307 52.685 0.622 19893 6668 1 15 . 1 1 48 48 MET CB C 48 35.537 35.537 34.413 1.124 19893 6669 1 15 . 1 1 48 48 MET H H 48 8.056 8.056 7.971 0.085 19893 6670 1 15 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.059 0.092 19893 6671 1 15 . 1 1 50 50 LEU C C 50 179.381 179.381 178.894 0.487 19893 6672 1 15 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.522 1.363 19893 6673 1 15 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.601 0.194 19893 6674 1 15 . 1 1 51 51 ARG N N 51 113.058 113.058 119.526 -6.468 19893 6675 1 15 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.844 -0.018 19893 6676 1 15 . 1 1 51 51 ARG C C 51 178.376 178.376 177.944 0.432 19893 6677 1 15 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.028 2.445 19893 6678 1 15 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.676 2.419 19893 6679 1 15 . 1 1 51 51 ARG H H 51 8.076 8.076 7.665 0.411 19893 6680 1 15 . 1 1 52 52 ALA N N 52 118.144 118.144 122.926 -4.782 19893 6681 1 15 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.070 0.020 19893 6682 1 15 . 1 1 52 52 ALA C C 52 180.673 180.673 179.647 1.026 19893 6683 1 15 . 1 1 52 52 ALA CA C 52 54.971 54.971 55.016 -0.045 19893 6684 1 15 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.730 0.188 19893 6685 1 15 . 1 1 52 52 ALA H H 52 7.095 7.095 7.730 -0.635 19893 6686 1 15 . 1 1 53 53 TRP N N 53 121.809 121.809 116.841 4.968 19893 6687 1 15 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.576 -0.267 19893 6688 1 15 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.173 4.759 19893 6689 1 15 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.668 -0.156 19893 6690 1 15 . 1 1 53 53 TRP H H 53 8.608 8.608 7.775 0.833 19893 6691 1 15 . 1 1 54 54 VAL N N 54 120.508 120.508 122.048 -1.540 19893 6692 1 15 . 1 1 54 54 VAL HA H 54 2.844 2.844 3.039 -0.195 19893 6693 1 15 . 1 1 54 54 VAL C C 54 177.917 177.917 178.678 -0.761 19893 6694 1 15 . 1 1 54 54 VAL CA C 54 67.434 67.434 65.962 1.472 19893 6695 1 15 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.356 1.161 19893 6696 1 15 . 1 1 54 54 VAL H H 54 8.352 8.352 7.189 1.163 19893 6697 1 15 . 1 1 55 55 ILE N N 55 118.131 118.131 119.801 -1.670 19893 6698 1 15 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.388 -0.061 19893 6699 1 15 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.894 0.896 19893 6700 1 15 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.178 2.091 19893 6701 1 15 . 1 1 55 55 ILE H H 55 7.574 7.574 7.939 -0.365 19893 6702 1 15 . 1 1 56 56 LYS N N 56 120.517 120.517 120.213 0.304 19893 6703 1 15 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.060 -0.008 19893 6704 1 15 . 1 1 56 56 LYS C C 56 179.574 179.574 178.786 0.788 19893 6705 1 15 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.649 0.926 19893 6706 1 15 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.820 1.311 19893 6707 1 15 . 1 1 56 56 LYS H H 56 8.354 8.354 8.263 0.091 19893 6708 1 15 . 1 1 57 57 CYS N N 57 116.239 116.239 117.877 -1.638 19893 6709 1 15 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.243 -0.329 19893 6710 1 15 . 1 1 57 57 CYS C C 57 178.985 178.985 176.965 2.020 19893 6711 1 15 . 1 1 57 57 CYS CA C 57 63.432 63.432 60.726 2.706 19893 6712 1 15 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.215 1.374 19893 6713 1 15 . 1 1 57 57 CYS H H 57 8.501 8.501 8.528 -0.027 19893 6714 1 15 . 1 1 58 58 ALA N N 58 123.819 123.819 123.820 -0.001 19893 6715 1 15 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.238 -0.203 19893 6716 1 15 . 1 1 58 58 ALA C C 58 177.753 177.753 178.430 -0.677 19893 6717 1 15 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.509 0.568 19893 6718 1 15 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.432 -0.203 19893 6719 1 15 . 1 1 58 58 ALA H H 58 8.605 8.605 8.598 0.007 19893 6720 1 15 . 1 1 59 59 HIS N N 59 115.595 115.595 116.457 -0.862 19893 6721 1 15 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.155 -0.640 19893 6722 1 15 . 1 1 59 59 HIS C C 59 177.271 177.271 177.468 -0.197 19893 6723 1 15 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.136 1.564 19893 6724 1 15 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.655 -1.864 19893 6725 1 15 . 1 1 59 59 HIS H H 59 8.132 8.132 8.339 -0.207 19893 6726 1 15 . 1 1 60 60 GLU N N 60 117.847 117.847 120.594 -2.747 19893 6727 1 15 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.869 -0.095 19893 6728 1 15 . 1 1 60 60 GLU C C 60 179.157 179.157 178.234 0.923 19893 6729 1 15 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.952 0.822 19893 6730 1 15 . 1 1 60 60 GLU CB C 60 29.897 29.897 28.997 0.900 19893 6731 1 15 . 1 1 60 60 GLU H H 60 8.623 8.623 7.796 0.827 19893 6732 1 15 . 1 1 61 61 ALA N N 61 122.193 122.193 120.053 2.140 19893 6733 1 15 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.276 -0.213 19893 6734 1 15 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.462 0.872 19893 6735 1 15 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.313 -0.954 19893 6736 1 15 . 1 1 61 61 ALA H H 61 7.891 7.891 7.839 0.052 19893 6737 1 15 . 1 1 62 62 LEU N N 62 120.135 120.135 117.811 2.324 19893 6738 1 15 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.098 -0.137 19893 6739 1 15 . 1 1 62 62 LEU C C 62 178.813 178.813 177.551 1.262 19893 6740 1 15 . 1 1 62 62 LEU CA C 62 56.519 56.519 56.400 0.119 19893 6741 1 15 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.423 1.261 19893 6742 1 15 . 1 1 62 62 LEU H H 62 7.080 7.080 7.436 -0.356 19893 6743 1 15 . 1 1 63 63 GLU N N 63 118.288 118.288 116.834 1.454 19893 6744 1 15 . 1 1 63 63 GLU HA H 63 3.706 3.706 4.004 -0.298 19893 6745 1 15 . 1 1 63 63 GLU C C 63 179.261 179.261 177.607 1.654 19893 6746 1 15 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.195 1.001 19893 6747 1 15 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.459 0.606 19893 6748 1 15 . 1 1 63 63 GLU H H 63 7.594 7.594 7.719 -0.125 19893 6749 1 15 . 1 1 64 64 LYS N N 64 116.167 116.167 119.606 -3.439 19893 6750 1 15 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.184 -0.107 19893 6751 1 15 . 1 1 64 64 LYS C C 64 177.763 177.763 176.807 0.956 19893 6752 1 15 . 1 1 64 64 LYS H H 64 7.342 7.342 7.457 -0.115 19893 6753 1 15 . 1 1 65 65 ASN N N 65 113.899 113.899 117.947 -4.048 19893 6754 1 15 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.992 -0.037 19893 6755 1 15 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.350 0.503 19893 6756 1 15 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.890 -0.427 19893 6757 1 15 . 1 1 65 65 ASN H H 65 7.480 7.480 7.724 -0.244 19893 6758 1 15 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.620 -0.025 19893 6759 1 15 . 1 1 66 66 PRO C C 66 177.769 177.769 175.458 2.311 19893 6760 1 15 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.157 2.320 19893 6761 1 15 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.900 1.940 19893 6762 1 15 . 1 1 67 67 LYS N N 67 115.189 115.189 120.515 -5.326 19893 6763 1 15 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.449 -0.185 19893 6764 1 15 . 1 1 67 67 LYS C C 67 178.271 178.271 174.207 4.064 19893 6765 1 15 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.140 0.766 19893 6766 1 15 . 1 1 67 67 LYS CB C 67 33.131 33.131 35.899 -2.768 19893 6767 1 15 . 1 1 67 67 LYS H H 67 7.611 7.611 7.632 -0.021 19893 6768 1 15 . 1 1 68 68 ILE N N 68 118.905 118.905 123.486 -4.581 19893 6769 1 15 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.177 -1.007 19893 6770 1 15 . 1 1 68 68 ILE C C 68 177.006 177.006 174.856 2.150 19893 6771 1 15 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.775 3.598 19893 6772 1 15 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.282 0.634 19893 6773 1 15 . 1 1 68 68 ILE H H 68 7.662 7.662 8.615 -0.953 19893 6774 1 15 . 1 1 69 69 ARG N N 69 119.690 119.690 129.533 -9.843 19893 6775 1 15 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.587 0.369 19893 6776 1 15 . 1 1 69 69 ARG C C 69 175.294 175.294 173.804 1.490 19893 6777 1 15 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.865 -0.372 19893 6778 1 15 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.566 -3.079 19893 6779 1 15 . 1 1 69 69 ARG H H 69 9.018 9.018 9.060 -0.042 19893 6780 1 15 . 1 1 70 70 GLU N N 70 116.461 116.461 124.334 -7.873 19893 6781 1 15 . 1 1 70 70 GLU HA H 70 4.961 4.961 5.004 -0.043 19893 6782 1 15 . 1 1 70 70 GLU C C 70 174.398 174.398 174.793 -0.395 19893 6783 1 15 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.151 0.386 19893 6784 1 15 . 1 1 70 70 GLU CB C 70 32.850 32.850 31.747 1.103 19893 6785 1 15 . 1 1 70 70 GLU H H 70 7.565 7.565 8.507 -0.942 19893 6786 1 15 . 1 1 71 71 VAL N N 71 116.838 116.838 120.158 -3.320 19893 6787 1 15 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.099 0.362 19893 6788 1 15 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.093 0.931 19893 6789 1 15 . 1 1 71 71 VAL CB C 71 35.777 35.777 35.378 0.399 19893 6790 1 15 . 1 1 71 71 VAL H H 71 8.946 8.946 8.581 0.365 19893 6791 1 15 . 1 1 72 72 TYR N N 72 125.566 125.566 121.907 3.659 19893 6792 1 15 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.931 0.502 19893 6793 1 15 . 1 1 72 72 TYR C C 72 176.183 176.183 175.553 0.630 19893 6794 1 15 . 1 1 72 72 TYR CA C 72 57.950 57.950 56.415 1.535 19893 6795 1 15 . 1 1 72 72 TYR CB C 72 40.213 40.213 38.542 1.671 19893 6796 1 15 . 1 1 72 72 TYR H H 72 8.689 8.689 8.576 0.113 19893 6797 1 15 . 1 1 73 73 LEU N N 73 122.757 122.757 125.568 -2.811 19893 6798 1 15 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.794 0.226 19893 6799 1 15 . 1 1 73 73 LEU C C 73 176.134 176.134 175.929 0.205 19893 6800 1 15 . 1 1 73 73 LEU CA C 73 53.708 53.708 54.190 -0.482 19893 6801 1 15 . 1 1 73 73 LEU CB C 73 46.349 46.349 43.855 2.494 19893 6802 1 15 . 1 1 73 73 LEU H H 73 9.202 9.202 8.949 0.253 19893 6803 1 15 . 1 1 74 74 LYS N N 74 124.941 124.941 125.597 -0.656 19893 6804 1 15 . 1 1 74 74 LYS HA H 74 5.336 5.336 4.976 0.360 19893 6805 1 15 . 1 1 74 74 LYS CA C 74 53.473 53.473 53.681 -0.208 19893 6806 1 15 . 1 1 74 74 LYS CB C 74 34.986 34.986 33.093 1.893 19893 6807 1 15 . 1 1 74 74 LYS H H 74 9.205 9.205 8.553 0.652 19893 6808 1 15 . 1 1 75 75 PRO HA H 75 3.959 3.959 1.524 2.435 19893 6809 1 15 . 1 1 75 75 PRO C C 75 176.549 176.549 176.096 0.453 19893 6810 1 15 . 1 1 75 75 PRO CA C 75 63.450 63.450 63.794 -0.344 19893 6811 1 15 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.617 1.000 19893 6812 1 15 . 1 1 76 76 ARG N N 76 122.429 122.429 115.096 7.333 19893 6813 1 15 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.182 0.226 19893 6814 1 15 . 1 1 76 76 ARG C C 76 178.244 178.244 175.253 2.991 19893 6815 1 15 . 1 1 76 76 ARG CA C 76 56.823 56.823 54.153 2.671 19893 6816 1 15 . 1 1 76 76 ARG CB C 76 32.455 32.455 31.903 0.552 19893 6817 1 15 . 1 1 76 76 ARG H H 76 10.063 10.063 8.257 1.806 19893 6818 1 15 . 1 1 77 77 ALA N N 77 127.287 127.287 121.631 5.656 19893 6819 1 15 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.077 0.064 19893 6820 1 15 . 1 1 77 77 ALA C C 77 179.691 179.691 176.684 3.007 19893 6821 1 15 . 1 1 77 77 ALA CA C 77 54.868 54.868 52.773 2.095 19893 6822 1 15 . 1 1 77 77 ALA CB C 77 19.502 19.502 17.783 1.719 19893 6823 1 15 . 1 1 77 77 ALA H H 77 9.710 9.710 8.195 1.515 19893 6824 1 15 . 1 1 78 78 VAL N N 78 118.326 118.326 120.635 -2.309 19893 6825 1 15 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.051 -0.030 19893 6826 1 15 . 1 1 78 78 VAL CA C 78 63.481 63.481 62.788 0.693 19893 6827 1 15 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.933 -0.334 19893 6828 1 15 . 1 1 78 78 VAL H H 78 7.954 7.954 7.999 -0.045 19893 6829 1 15 . 1 1 79 79 LYS N N 79 125.429 125.429 119.791 5.638 19893 6830 1 15 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.622 4.166 19893 6831 1 15 . 1 1 79 79 LYS H H 79 8.695 8.695 7.946 0.749 19893 6832 1 15 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.688 0.102 19893 6833 1 15 . 1 1 80 80 ASN C C 80 175.317 175.317 175.745 -0.428 19893 6834 1 15 . 1 1 80 80 ASN CA C 80 53.704 53.704 54.421 -0.717 19893 6835 1 15 . 1 1 80 80 ASN CB C 80 38.854 38.854 38.971 -0.117 19893 6836 1 15 . 1 1 81 81 SER N N 81 113.408 113.408 122.230 -8.822 19893 6837 1 15 . 1 1 81 81 SER HA H 81 4.408 4.408 4.423 -0.015 19893 6838 1 15 . 1 1 81 81 SER CA C 81 59.296 59.296 60.295 -0.999 19893 6839 1 15 . 1 1 81 81 SER CB C 81 64.171 64.171 63.986 0.185 19893 6840 1 15 . 1 1 81 81 SER H H 81 7.715 7.715 9.024 -1.309 19893 6841 1 15 . 1 1 82 82 SER N N 82 117.894 117.894 113.933 3.961 19893 6842 1 15 . 1 1 82 82 SER HA H 82 4.541 4.541 4.511 0.030 19893 6843 1 15 . 1 1 82 82 SER C C 82 174.196 174.196 172.399 1.797 19893 6844 1 15 . 1 1 82 82 SER CA C 82 58.767 58.767 58.222 0.545 19893 6845 1 15 . 1 1 82 82 SER CB C 82 64.382 64.382 63.694 0.688 19893 6846 1 15 . 1 1 82 82 SER H H 82 8.472 8.472 8.067 0.405 19893 6847 1 15 . 1 1 83 83 VAL N N 83 122.430 122.430 124.012 -1.582 19893 6848 1 15 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.819 -0.418 19893 6849 1 15 . 1 1 83 83 VAL C C 83 174.614 174.614 173.861 0.753 19893 6850 1 15 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.336 2.196 19893 6851 1 15 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.592 0.796 19893 6852 1 15 . 1 1 83 83 VAL H H 83 7.686 7.686 7.727 -0.041 19893 6853 1 15 . 1 1 84 84 GLN N N 84 123.141 123.141 126.834 -3.693 19893 6854 1 15 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.208 -0.421 19893 6855 1 15 . 1 1 84 84 GLN C C 84 174.077 174.077 174.066 0.011 19893 6856 1 15 . 1 1 84 84 GLN CA C 84 55.073 55.073 53.596 1.477 19893 6857 1 15 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.481 0.242 19893 6858 1 15 . 1 1 84 84 GLN H H 84 8.287 8.287 9.201 -0.914 19893 6859 1 15 . 1 1 85 85 PHE N N 85 121.281 121.281 120.232 1.049 19893 6860 1 15 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.170 0.118 19893 6861 1 15 . 1 1 85 85 PHE C C 85 175.063 175.063 175.960 -0.897 19893 6862 1 15 . 1 1 85 85 PHE CA C 85 57.435 57.435 55.977 1.458 19893 6863 1 15 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.120 -1.912 19893 6864 1 15 . 1 1 85 85 PHE H H 85 9.241 9.241 9.538 -0.297 19893 6865 1 15 . 1 1 86 86 HIS N N 86 125.300 125.300 120.197 5.103 19893 6866 1 15 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.111 -0.364 19893 6867 1 15 . 1 1 86 86 HIS C C 86 172.315 172.315 174.107 -1.792 19893 6868 1 15 . 1 1 86 86 HIS CA C 86 52.353 52.353 54.993 -2.640 19893 6869 1 15 . 1 1 86 86 HIS CB C 86 30.085 30.085 31.568 -1.483 19893 6870 1 15 . 1 1 86 86 HIS H H 86 9.340 9.340 9.043 0.297 19893 6871 1 15 . 1 1 87 87 VAL N N 87 127.396 127.396 126.025 1.371 19893 6872 1 15 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.118 -0.895 19893 6873 1 15 . 1 1 87 87 VAL C C 87 173.887 173.887 174.972 -1.085 19893 6874 1 15 . 1 1 87 87 VAL CA C 87 61.138 61.138 60.255 0.883 19893 6875 1 15 . 1 1 87 87 VAL CB C 87 31.976 31.976 34.144 -2.168 19893 6876 1 15 . 1 1 87 87 VAL H H 87 8.722 8.722 9.259 -0.537 19893 6877 1 15 . 1 1 88 88 ILE N N 88 127.814 127.814 129.581 -1.767 19893 6878 1 15 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.160 -0.375 19893 6879 1 15 . 1 1 88 88 ILE C C 88 174.542 174.542 175.778 -1.236 19893 6880 1 15 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.785 0.634 19893 6881 1 15 . 1 1 88 88 ILE CB C 88 41.068 41.068 37.247 3.821 19893 6882 1 15 . 1 1 88 88 ILE H H 88 8.605 8.605 8.892 -0.287 19893 6883 1 15 . 1 1 89 89 PHE N N 89 125.156 125.156 129.089 -3.933 19893 6884 1 15 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.169 0.512 19893 6885 1 15 . 1 1 89 89 PHE C C 89 175.138 175.138 175.918 -0.780 19893 6886 1 15 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.151 -1.832 19893 6887 1 15 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.547 1.863 19893 6888 1 15 . 1 1 89 89 PHE H H 89 7.872 7.872 8.911 -1.039 19893 6889 1 15 . 1 1 90 90 ASP N N 90 125.113 125.113 126.863 -1.750 19893 6890 1 15 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.852 -0.041 19893 6891 1 15 . 1 1 90 90 ASP C C 90 176.988 176.988 175.578 1.410 19893 6892 1 15 . 1 1 90 90 ASP CA C 90 54.501 54.501 54.158 0.343 19893 6893 1 15 . 1 1 90 90 ASP CB C 90 42.286 42.286 40.874 1.412 19893 6894 1 15 . 1 1 90 90 ASP H H 90 8.740 8.740 8.760 -0.020 19893 6895 1 15 . 1 1 91 91 GLU N N 91 124.589 124.589 126.569 -1.980 19893 6896 1 15 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.612 -0.238 19893 6897 1 15 . 1 1 91 91 GLU C C 91 175.801 175.801 174.353 1.448 19893 6898 1 15 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.766 2.705 19893 6899 1 15 . 1 1 91 91 GLU CB C 91 31.192 31.192 30.054 1.138 19893 6900 1 15 . 1 1 91 91 GLU H H 91 9.028 9.028 8.169 0.859 19893 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 76 4.146 0.176 4.170 19893 2 1 1 "Average Difference" HA 84 0.375 0.034 0.376 19893 3 1 1 "Average Difference" C 69 1.429 -0.722 1.242 19893 4 1 1 "Average Difference" CA 82 1.845 -0.584 1.761 19893 5 1 1 "Average Difference" CB 78 1.605 -0.326 1.581 19893 6 1 1 "Average Difference" HN 76 0.722 0.037 0.726 19893 7 1 2 "Average Difference" N 76 3.896 0.290 3.911 19893 8 1 2 "Average Difference" HA 84 0.364 0.053 0.362 19893 9 1 2 "Average Difference" C 69 1.470 -0.710 1.296 19893 10 1 2 "Average Difference" CA 82 1.869 -0.599 1.781 19893 11 1 2 "Average Difference" CB 78 1.605 -0.309 1.585 19893 12 1 2 "Average Difference" HN 76 0.695 0.041 0.698 19893 13 1 3 "Average Difference" N 76 4.180 0.090 4.206 19893 14 1 3 "Average Difference" HA 84 0.368 0.039 0.368 19893 15 1 3 "Average Difference" C 69 1.477 -0.636 1.343 19893 16 1 3 "Average Difference" CA 82 1.948 -0.628 1.855 19893 17 1 3 "Average Difference" CB 78 1.713 -0.431 1.668 19893 18 1 3 "Average Difference" HN 76 0.767 0.032 0.772 19893 19 1 4 "Average Difference" N 76 4.007 0.401 4.013 19893 20 1 4 "Average Difference" HA 84 0.376 0.015 0.378 19893 21 1 4 "Average Difference" C 69 1.456 -0.637 1.319 19893 22 1 4 "Average Difference" CA 82 1.872 -0.602 1.783 19893 23 1 4 "Average Difference" CB 78 1.641 -0.485 1.578 19893 24 1 4 "Average Difference" HN 76 0.684 0.043 0.688 19893 25 1 5 "Average Difference" N 76 4.431 0.221 4.455 19893 26 1 5 "Average Difference" HA 84 0.413 0.050 0.412 19893 27 1 5 "Average Difference" C 69 1.434 -0.653 1.286 19893 28 1 5 "Average Difference" CA 82 1.988 -0.553 1.922 19893 29 1 5 "Average Difference" CB 78 1.496 -0.285 1.478 19893 30 1 5 "Average Difference" HN 76 0.779 0.023 0.784 19893 31 1 6 "Average Difference" N 76 3.954 0.314 3.968 19893 32 1 6 "Average Difference" HA 84 0.365 0.018 0.367 19893 33 1 6 "Average Difference" C 69 1.465 -0.638 1.328 19893 34 1 6 "Average Difference" CA 82 1.943 -0.562 1.871 19893 35 1 6 "Average Difference" CB 78 1.649 -0.422 1.605 19893 36 1 6 "Average Difference" HN 76 0.751 0.022 0.755 19893 37 1 7 "Average Difference" N 76 4.168 0.244 4.188 19893 38 1 7 "Average Difference" HA 84 0.394 0.042 0.394 19893 39 1 7 "Average Difference" C 69 1.477 -0.712 1.303 19893 40 1 7 "Average Difference" CA 82 1.885 -0.569 1.808 19893 41 1 7 "Average Difference" CB 78 1.575 -0.311 1.554 19893 42 1 7 "Average Difference" HN 76 0.725 0.040 0.729 19893 43 1 8 "Average Difference" N 76 4.001 0.278 4.018 19893 44 1 8 "Average Difference" HA 84 0.395 0.019 0.396 19893 45 1 8 "Average Difference" C 69 1.443 -0.628 1.308 19893 46 1 8 "Average Difference" CA 82 1.910 -0.559 1.837 19893 47 1 8 "Average Difference" CB 78 1.581 -0.405 1.538 19893 48 1 8 "Average Difference" HN 76 0.701 0.004 0.706 19893 49 1 9 "Average Difference" N 76 4.081 0.473 4.080 19893 50 1 9 "Average Difference" HA 84 0.367 0.044 0.367 19893 51 1 9 "Average Difference" C 69 1.533 -0.629 1.409 19893 52 1 9 "Average Difference" CA 82 1.902 -0.591 1.819 19893 53 1 9 "Average Difference" CB 78 1.576 -0.448 1.520 19893 54 1 9 "Average Difference" HN 76 0.716 0.050 0.720 19893 55 1 10 "Average Difference" N 76 3.849 0.369 3.857 19893 56 1 10 "Average Difference" HA 84 0.343 0.027 0.344 19893 57 1 10 "Average Difference" C 69 1.498 -0.696 1.336 19893 58 1 10 "Average Difference" CA 82 1.864 -0.517 1.802 19893 59 1 10 "Average Difference" CB 78 1.630 -0.345 1.604 19893 60 1 10 "Average Difference" HN 76 0.726 0.060 0.728 19893 61 1 11 "Average Difference" N 76 4.083 0.591 4.067 19893 62 1 11 "Average Difference" HA 84 0.367 0.057 0.365 19893 63 1 11 "Average Difference" C 69 1.446 -0.680 1.286 19893 64 1 11 "Average Difference" CA 82 2.039 -0.589 1.964 19893 65 1 11 "Average Difference" CB 78 1.561 -0.303 1.541 19893 66 1 11 "Average Difference" HN 76 0.735 0.048 0.738 19893 67 1 12 "Average Difference" N 76 4.221 0.399 4.230 19893 68 1 12 "Average Difference" HA 84 0.356 0.033 0.356 19893 69 1 12 "Average Difference" C 69 1.477 -0.719 1.300 19893 70 1 12 "Average Difference" CA 82 1.854 -0.607 1.763 19893 71 1 12 "Average Difference" CB 78 1.494 -0.410 1.446 19893 72 1 12 "Average Difference" HN 76 0.721 0.057 0.724 19893 73 1 13 "Average Difference" N 76 4.109 0.334 4.123 19893 74 1 13 "Average Difference" HA 84 0.386 0.052 0.385 19893 75 1 13 "Average Difference" C 69 1.395 -0.651 1.243 19893 76 1 13 "Average Difference" CA 82 1.973 -0.534 1.911 19893 77 1 13 "Average Difference" CB 78 1.456 -0.291 1.435 19893 78 1 13 "Average Difference" HN 76 0.722 0.080 0.722 19893 79 1 14 "Average Difference" N 76 4.231 0.142 4.257 19893 80 1 14 "Average Difference" HA 84 0.362 0.024 0.363 19893 81 1 14 "Average Difference" C 69 1.432 -0.671 1.275 19893 82 1 14 "Average Difference" CA 82 1.813 -0.519 1.748 19893 83 1 14 "Average Difference" CB 78 1.522 -0.331 1.496 19893 84 1 14 "Average Difference" HN 76 0.749 0.085 0.749 19893 85 1 15 "Average Difference" N 76 4.345 0.344 4.360 19893 86 1 15 "Average Difference" HA 84 0.418 0.013 0.420 19893 87 1 15 "Average Difference" C 69 1.480 -0.539 1.389 19893 88 1 15 "Average Difference" CA 82 1.907 -0.489 1.855 19893 89 1 15 "Average Difference" CB 78 1.510 -0.496 1.435 19893 90 1 15 "Average Difference" HN 76 0.674 0.034 0.678 19893 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 19893 _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 8 8 PRO HA H 8 4.352 4.352 4.543 -0.191 19893 2 1 . 1 1 8 8 PRO C C 8 176.467 176.467 175.724 0.743 19893 3 1 . 1 1 8 8 PRO CA C 8 63.363 63.363 63.042 0.321 19893 4 1 . 1 1 8 8 PRO CB C 8 32.389 32.389 30.790 1.599 19893 5 1 . 1 1 9 9 ALA N N 9 124.419 124.419 122.337 2.082 19893 6 1 . 1 1 9 9 ALA HA H 9 4.407 4.407 4.567 -0.160 19893 7 1 . 1 1 9 9 ALA C C 9 177.826 177.826 176.582 1.244 19893 8 1 . 1 1 9 9 ALA CA C 9 52.552 52.552 51.759 0.793 19893 9 1 . 1 1 9 9 ALA CB C 9 19.854 19.854 20.571 -0.717 19893 10 1 . 1 1 9 9 ALA H H 9 8.301 8.301 7.906 0.395 19893 11 1 . 1 1 10 10 VAL N N 10 120.778 120.778 121.370 -0.592 19893 12 1 . 1 1 10 10 VAL HA H 10 4.159 4.159 4.249 -0.090 19893 13 1 . 1 1 10 10 VAL C C 10 175.233 175.233 174.309 0.924 19893 14 1 . 1 1 10 10 VAL CA C 10 62.133 62.133 61.614 0.519 19893 15 1 . 1 1 10 10 VAL CB C 10 33.820 33.820 33.992 -0.172 19893 16 1 . 1 1 10 10 VAL H H 10 8.095 8.095 8.572 -0.477 19893 17 1 . 1 1 11 11 ASP N N 11 125.133 125.133 127.627 -2.494 19893 18 1 . 1 1 11 11 ASP HA H 11 5.032 5.032 5.119 -0.087 19893 19 1 . 1 1 11 11 ASP C C 11 176.892 176.892 175.139 1.753 19893 20 1 . 1 1 11 11 ASP CA C 11 54.593 54.593 52.975 1.618 19893 21 1 . 1 1 11 11 ASP CB C 11 42.662 42.662 42.648 0.014 19893 22 1 . 1 1 11 11 ASP H H 11 8.285 8.285 8.541 -0.256 19893 23 1 . 1 1 12 12 VAL N N 12 124.553 124.553 124.164 0.389 19893 24 1 . 1 1 12 12 VAL HA H 12 4.125 4.125 4.276 -0.151 19893 25 1 . 1 1 12 12 VAL C C 12 175.226 175.226 174.247 0.979 19893 26 1 . 1 1 12 12 VAL CA C 12 62.622 62.622 60.258 2.364 19893 27 1 . 1 1 12 12 VAL CB C 12 33.328 33.328 35.167 -1.838 19893 28 1 . 1 1 12 12 VAL H H 12 8.615 8.615 8.390 0.225 19893 29 1 . 1 1 13 13 GLU N N 13 130.776 130.776 124.372 6.404 19893 30 1 . 1 1 13 13 GLU HA H 13 5.091 5.091 5.040 0.051 19893 31 1 . 1 1 13 13 GLU C C 13 175.853 175.853 175.103 0.750 19893 32 1 . 1 1 13 13 GLU CA C 13 56.269 56.269 55.339 0.930 19893 33 1 . 1 1 13 13 GLU CB C 13 31.636 31.636 31.668 -0.032 19893 34 1 . 1 1 13 13 GLU H H 13 8.796 8.796 8.431 0.365 19893 35 1 . 1 1 14 14 ILE N N 14 128.969 128.969 123.969 5.000 19893 36 1 . 1 1 14 14 ILE HA H 14 4.373 4.373 4.537 -0.164 19893 37 1 . 1 1 14 14 ILE C C 14 174.048 174.048 173.858 0.190 19893 38 1 . 1 1 14 14 ILE CA C 14 58.779 58.779 59.569 -0.790 19893 39 1 . 1 1 14 14 ILE CB C 14 41.986 41.986 41.212 0.774 19893 40 1 . 1 1 14 14 ILE H H 14 8.602 8.602 9.087 -0.485 19893 41 1 . 1 1 15 15 HIS N N 15 124.354 124.354 125.005 -0.651 19893 42 1 . 1 1 15 15 HIS HA H 15 5.254 5.254 4.852 0.402 19893 43 1 . 1 1 15 15 HIS C C 15 174.830 174.830 173.706 1.124 19893 44 1 . 1 1 15 15 HIS CA C 15 54.387 54.387 53.671 0.716 19893 45 1 . 1 1 15 15 HIS CB C 15 30.504 30.504 31.794 -1.290 19893 46 1 . 1 1 15 15 HIS H H 15 8.926 8.926 9.290 -0.364 19893 47 1 . 1 1 16 16 PHE N N 16 117.887 117.887 126.082 -8.195 19893 48 1 . 1 1 16 16 PHE HA H 16 5.601 5.601 4.939 0.662 19893 49 1 . 1 1 16 16 PHE CA C 16 51.560 51.560 53.809 -2.249 19893 50 1 . 1 1 16 16 PHE CB C 16 42.990 42.990 41.203 1.787 19893 51 1 . 1 1 16 16 PHE H H 16 8.758 8.758 9.023 -0.265 19893 52 1 . 1 1 17 17 PRO HA H 17 4.759 4.759 4.922 -0.163 19893 53 1 . 1 1 17 17 PRO C C 17 178.833 178.833 176.390 2.443 19893 54 1 . 1 1 17 17 PRO CA C 17 63.058 63.058 62.008 1.050 19893 55 1 . 1 1 17 17 PRO CB C 17 31.960 31.960 33.003 -1.043 19893 56 1 . 1 1 18 18 LEU N N 18 131.092 131.092 123.049 8.043 19893 57 1 . 1 1 18 18 LEU HA H 18 3.746 3.746 4.197 -0.451 19893 58 1 . 1 1 18 18 LEU C C 18 177.657 177.657 176.507 1.150 19893 59 1 . 1 1 18 18 LEU CA C 18 59.042 59.042 55.610 3.432 19893 60 1 . 1 1 18 18 LEU CB C 18 43.774 43.774 41.211 2.563 19893 61 1 . 1 1 18 18 LEU H H 18 9.189 9.189 8.411 0.778 19893 62 1 . 1 1 19 19 LYS N N 19 113.358 113.358 115.002 -1.644 19893 63 1 . 1 1 19 19 LYS HA H 19 3.915 3.915 4.374 -0.459 19893 64 1 . 1 1 19 19 LYS C C 19 179.580 179.580 176.667 2.913 19893 65 1 . 1 1 19 19 LYS CA C 19 59.475 59.475 56.380 3.095 19893 66 1 . 1 1 19 19 LYS CB C 19 32.676 32.676 32.999 -0.323 19893 67 1 . 1 1 19 19 LYS H H 19 8.967 8.967 7.947 1.020 19893 68 1 . 1 1 20 20 ARG N N 20 113.649 113.649 119.034 -5.385 19893 69 1 . 1 1 20 20 ARG HA H 20 4.352 4.352 4.506 -0.154 19893 70 1 . 1 1 20 20 ARG C C 20 179.148 179.148 178.076 1.072 19893 71 1 . 1 1 20 20 ARG CA C 20 57.803 57.803 56.862 0.941 19893 72 1 . 1 1 20 20 ARG CB C 20 31.130 31.130 32.181 -1.051 19893 73 1 . 1 1 20 20 ARG H H 20 7.118 7.118 7.971 -0.853 19893 74 1 . 1 1 21 21 ILE N N 21 117.305 117.305 116.477 0.828 19893 75 1 . 1 1 21 21 ILE HA H 21 4.318 4.318 4.000 0.318 19893 76 1 . 1 1 21 21 ILE C C 21 175.336 175.336 175.644 -0.308 19893 77 1 . 1 1 21 21 ILE CA C 21 59.592 59.592 61.721 -2.129 19893 78 1 . 1 1 21 21 ILE CB C 21 39.017 39.017 36.897 2.120 19893 79 1 . 1 1 21 21 ILE H H 21 7.752 7.752 7.797 -0.045 19893 80 1 . 1 1 22 22 ALA N N 22 123.637 123.637 119.535 4.102 19893 81 1 . 1 1 22 22 ALA HA H 22 4.087 4.087 4.324 -0.237 19893 82 1 . 1 1 22 22 ALA C C 22 177.701 177.701 176.801 0.900 19893 83 1 . 1 1 22 22 ALA CA C 22 53.390 53.390 51.551 1.839 19893 84 1 . 1 1 22 22 ALA CB C 22 20.048 20.048 19.338 0.710 19893 85 1 . 1 1 22 22 ALA H H 22 7.759 7.759 7.783 -0.024 19893 86 1 . 1 1 23 23 ALA N N 23 120.182 120.182 122.427 -2.245 19893 87 1 . 1 1 23 23 ALA HA H 23 4.285 4.285 4.308 -0.023 19893 88 1 . 1 1 23 23 ALA C C 23 178.285 178.285 177.459 0.826 19893 89 1 . 1 1 23 23 ALA CA C 23 52.906 52.906 53.328 -0.422 19893 90 1 . 1 1 23 23 ALA CB C 23 20.190 20.190 20.281 -0.091 19893 91 1 . 1 1 23 23 ALA H H 23 6.732 6.732 7.846 -1.114 19893 92 1 . 1 1 24 24 GLU N N 24 119.837 119.837 116.199 3.638 19893 93 1 . 1 1 24 24 GLU HA H 24 4.165 4.165 4.400 -0.235 19893 94 1 . 1 1 24 24 GLU C C 24 179.026 179.026 177.416 1.610 19893 95 1 . 1 1 24 24 GLU CA C 24 59.482 59.482 56.200 3.282 19893 96 1 . 1 1 24 24 GLU CB C 24 29.977 29.977 30.532 -0.555 19893 97 1 . 1 1 24 24 GLU H H 24 8.830 8.830 7.960 0.870 19893 98 1 . 1 1 25 25 GLY N N 25 107.505 107.505 109.018 -1.513 19893 99 1 . 1 1 25 25 GLY C C 25 176.338 176.338 175.673 0.665 19893 100 1 . 1 1 25 25 GLY CA C 25 46.077 46.077 46.502 -0.425 19893 101 1 . 1 1 25 25 GLY H H 25 8.425 8.425 8.562 -0.137 19893 102 1 . 1 1 26 26 TYR N N 26 119.505 119.505 122.300 -2.795 19893 103 1 . 1 1 26 26 TYR HA H 26 4.256 4.256 3.991 0.265 19893 104 1 . 1 1 26 26 TYR C C 26 176.005 176.005 177.539 -1.534 19893 105 1 . 1 1 26 26 TYR CA C 26 60.714 60.714 61.547 -0.833 19893 106 1 . 1 1 26 26 TYR CB C 26 37.497 37.497 37.963 -0.466 19893 107 1 . 1 1 26 26 TYR H H 26 7.262 7.262 8.024 -0.762 19893 108 1 . 1 1 27 27 ALA N N 27 122.574 122.574 119.199 3.375 19893 109 1 . 1 1 27 27 ALA HA H 27 3.464 3.464 3.958 -0.494 19893 110 1 . 1 1 27 27 ALA C C 27 178.550 178.550 179.463 -0.913 19893 111 1 . 1 1 27 27 ALA CA C 27 54.172 54.172 54.898 -0.726 19893 112 1 . 1 1 27 27 ALA CB C 27 18.075 18.075 18.044 0.031 19893 113 1 . 1 1 27 27 ALA H H 27 6.867 6.867 7.948 -1.081 19893 114 1 . 1 1 28 28 GLU N N 28 114.244 114.244 119.049 -4.805 19893 115 1 . 1 1 28 28 GLU HA H 28 4.339 4.339 3.801 0.538 19893 116 1 . 1 1 28 28 GLU CA C 28 55.252 55.252 59.446 -4.194 19893 117 1 . 1 1 28 28 GLU CB C 28 30.445 30.445 29.385 1.060 19893 118 1 . 1 1 28 28 GLU H H 28 7.285 7.285 8.144 -0.859 19893 119 1 . 1 1 29 29 ASP N N 29 120.177 120.177 118.483 1.694 19893 120 1 . 1 1 29 29 ASP HA H 29 4.457 4.457 4.352 0.105 19893 121 1 . 1 1 29 29 ASP C C 29 177.771 177.771 178.986 -1.215 19893 122 1 . 1 1 29 29 ASP CA C 29 54.448 54.448 57.345 -2.897 19893 123 1 . 1 1 29 29 ASP CB C 29 41.689 41.689 41.059 0.630 19893 124 1 . 1 1 29 29 ASP H H 29 7.083 7.083 8.206 -1.123 19893 125 1 . 1 1 30 30 GLU N N 30 129.724 129.724 119.244 10.480 19893 126 1 . 1 1 30 30 GLU HA H 30 3.962 3.962 4.248 -0.286 19893 127 1 . 1 1 30 30 GLU C C 30 178.184 178.184 178.990 -0.806 19893 128 1 . 1 1 30 30 GLU CA C 30 59.356 59.356 58.837 0.519 19893 129 1 . 1 1 30 30 GLU CB C 30 30.281 30.281 30.244 0.037 19893 130 1 . 1 1 30 30 GLU H H 30 9.081 9.081 7.744 1.337 19893 131 1 . 1 1 31 31 LEU N N 31 120.990 120.990 121.399 -0.409 19893 132 1 . 1 1 31 31 LEU HA H 31 4.159 4.159 4.120 0.039 19893 133 1 . 1 1 31 31 LEU C C 31 180.910 180.910 179.123 1.787 19893 134 1 . 1 1 31 31 LEU CA C 31 59.080 59.080 58.038 1.042 19893 135 1 . 1 1 31 31 LEU CB C 31 41.682 41.682 42.200 -0.518 19893 136 1 . 1 1 31 31 LEU H H 31 8.323 8.323 7.891 0.432 19893 137 1 . 1 1 32 32 LEU N N 32 116.856 116.856 118.823 -1.967 19893 138 1 . 1 1 32 32 LEU HA H 32 3.952 3.952 4.341 -0.389 19893 139 1 . 1 1 32 32 LEU C C 32 179.086 179.086 179.283 -0.197 19893 140 1 . 1 1 32 32 LEU CA C 32 58.018 58.018 57.016 1.002 19893 141 1 . 1 1 32 32 LEU CB C 32 40.951 40.951 40.676 0.275 19893 142 1 . 1 1 32 32 LEU H H 32 7.225 7.225 8.542 -1.317 19893 143 1 . 1 1 33 33 LEU N N 33 117.769 117.769 122.052 -4.283 19893 144 1 . 1 1 33 33 LEU HA H 33 3.922 3.922 3.902 0.020 19893 145 1 . 1 1 33 33 LEU C C 33 181.207 181.207 178.039 3.168 19893 146 1 . 1 1 33 33 LEU CA C 33 58.810 58.810 58.367 0.443 19893 147 1 . 1 1 33 33 LEU CB C 33 42.112 42.112 41.557 0.555 19893 148 1 . 1 1 33 33 LEU H H 33 6.943 6.943 8.020 -1.077 19893 149 1 . 1 1 34 34 ASN N N 34 118.848 118.848 116.044 2.804 19893 150 1 . 1 1 34 34 ASN HA H 34 4.536 4.536 4.365 0.171 19893 151 1 . 1 1 34 34 ASN C C 34 178.881 178.881 177.962 0.919 19893 152 1 . 1 1 34 34 ASN CA C 34 56.303 56.303 56.257 0.046 19893 153 1 . 1 1 34 34 ASN CB C 34 38.580 38.580 38.666 -0.086 19893 154 1 . 1 1 34 34 ASN H H 34 8.320 8.320 7.975 0.345 19893 155 1 . 1 1 35 35 GLN N N 35 118.808 118.808 118.926 -0.118 19893 156 1 . 1 1 35 35 GLN HA H 35 4.347 4.347 4.140 0.207 19893 157 1 . 1 1 35 35 GLN C C 35 177.483 177.483 178.282 -0.799 19893 158 1 . 1 1 35 35 GLN CA C 35 57.275 57.275 58.896 -1.621 19893 159 1 . 1 1 35 35 GLN CB C 35 29.878 29.878 28.869 1.009 19893 160 1 . 1 1 35 35 GLN H H 35 8.053 8.053 8.572 -0.519 19893 161 1 . 1 1 36 36 MET N N 36 116.334 116.334 119.326 -2.992 19893 162 1 . 1 1 36 36 MET HA H 36 4.718 4.718 4.409 0.309 19893 163 1 . 1 1 36 36 MET C C 36 177.424 177.424 178.721 -1.297 19893 164 1 . 1 1 36 36 MET CA C 36 54.879 54.879 56.861 -1.982 19893 165 1 . 1 1 36 36 MET CB C 36 31.263 31.263 31.627 -0.364 19893 166 1 . 1 1 36 36 MET H H 36 7.596 7.596 7.833 -0.237 19893 167 1 . 1 1 37 37 GLY N N 37 106.238 106.238 106.287 -0.049 19893 168 1 . 1 1 37 37 GLY C C 37 175.666 175.666 175.102 0.564 19893 169 1 . 1 1 37 37 GLY CA C 37 47.573 47.573 46.379 1.194 19893 170 1 . 1 1 37 37 GLY H H 37 7.827 7.827 8.098 -0.271 19893 171 1 . 1 1 38 38 LYS N N 38 120.688 120.688 120.586 0.102 19893 172 1 . 1 1 38 38 LYS HA H 38 4.413 4.413 4.132 0.281 19893 173 1 . 1 1 38 38 LYS C C 38 176.395 176.395 179.050 -2.655 19893 174 1 . 1 1 38 38 LYS CA C 38 56.332 56.332 58.566 -2.234 19893 175 1 . 1 1 38 38 LYS CB C 38 32.091 32.091 32.820 -0.728 19893 176 1 . 1 1 38 38 LYS H H 38 8.543 8.543 7.577 0.966 19893 177 1 . 1 1 39 39 VAL N N 39 123.143 123.143 115.006 8.137 19893 178 1 . 1 1 39 39 VAL HA H 39 4.077 4.077 3.815 0.262 19893 179 1 . 1 1 39 39 VAL CA C 39 62.829 62.829 65.076 -2.247 19893 180 1 . 1 1 39 39 VAL CB C 39 33.710 33.710 32.023 1.687 19893 181 1 . 1 1 39 39 VAL H H 39 7.711 7.711 8.279 -0.568 19893 182 1 . 1 1 40 40 ASN N N 40 125.464 125.464 115.962 9.502 19893 183 1 . 1 1 40 40 ASN HA H 40 4.783 4.783 4.839 -0.056 19893 184 1 . 1 1 40 40 ASN C C 40 174.870 174.870 174.317 0.553 19893 185 1 . 1 1 40 40 ASN CA C 40 53.494 53.494 53.783 -0.289 19893 186 1 . 1 1 40 40 ASN CB C 40 40.393 40.393 40.265 0.128 19893 187 1 . 1 1 40 40 ASN H H 40 8.692 8.692 8.074 0.618 19893 188 1 . 1 1 41 41 ASP N N 41 116.195 116.195 118.420 -2.225 19893 189 1 . 1 1 41 41 ASP HA H 41 5.133 5.133 4.474 0.659 19893 190 1 . 1 1 41 41 ASP C C 41 177.048 177.048 175.916 1.132 19893 191 1 . 1 1 41 41 ASP CA C 41 56.422 56.422 55.817 0.605 19893 192 1 . 1 1 41 41 ASP CB C 41 43.353 43.353 39.897 3.456 19893 193 1 . 1 1 41 41 ASP H H 41 8.403 8.403 8.729 -0.326 19893 194 1 . 1 1 42 42 THR N N 42 111.139 111.139 110.087 1.052 19893 195 1 . 1 1 42 42 THR HA H 42 4.646 4.646 4.462 0.184 19893 196 1 . 1 1 42 42 THR CA C 42 57.844 57.844 63.281 -5.437 19893 197 1 . 1 1 42 42 THR CB C 42 70.269 70.269 68.266 2.003 19893 198 1 . 1 1 42 42 THR H H 42 7.532 7.532 7.835 -0.303 19893 199 1 . 1 1 43 43 PRO HA H 43 4.534 4.534 4.590 -0.056 19893 200 1 . 1 1 43 43 PRO C C 43 175.550 175.550 176.331 -0.781 19893 201 1 . 1 1 43 43 PRO CA C 43 63.124 63.124 62.273 0.851 19893 202 1 . 1 1 43 43 PRO CB C 43 34.450 34.450 30.536 3.914 19893 203 1 . 1 1 44 44 GLU N N 44 121.809 121.809 122.417 -0.608 19893 204 1 . 1 1 44 44 GLU HA H 44 4.138 4.138 4.322 -0.184 19893 205 1 . 1 1 44 44 GLU C C 44 176.266 176.266 176.081 0.185 19893 206 1 . 1 1 44 44 GLU CA C 44 58.583 58.583 56.006 2.577 19893 207 1 . 1 1 44 44 GLU CB C 44 30.878 30.878 30.372 0.506 19893 208 1 . 1 1 44 44 GLU H H 44 8.515 8.515 8.213 0.302 19893 209 1 . 1 1 45 45 GLU N N 45 122.167 122.167 121.326 0.841 19893 210 1 . 1 1 45 45 GLU HA H 45 4.352 4.352 4.483 -0.131 19893 211 1 . 1 1 45 45 GLU C C 45 175.468 175.468 176.575 -1.107 19893 212 1 . 1 1 45 45 GLU CA C 45 54.805 54.805 56.136 -1.331 19893 213 1 . 1 1 45 45 GLU CB C 45 32.425 32.425 30.536 1.889 19893 214 1 . 1 1 45 45 GLU H H 45 8.406 8.406 8.582 -0.176 19893 215 1 . 1 1 46 46 GLU N N 46 123.100 123.100 119.646 3.454 19893 216 1 . 1 1 46 46 GLU HA H 46 3.748 3.748 4.385 -0.637 19893 217 1 . 1 1 46 46 GLU C C 46 177.108 177.108 175.799 1.309 19893 218 1 . 1 1 46 46 GLU CA C 46 57.786 57.786 56.529 1.257 19893 219 1 . 1 1 46 46 GLU CB C 46 28.617 28.617 29.405 -0.788 19893 220 1 . 1 1 46 46 GLU H H 46 8.729 8.729 8.495 0.234 19893 221 1 . 1 1 47 47 GLY N N 47 102.684 102.684 107.740 -5.056 19893 222 1 . 1 1 47 47 GLY C C 47 174.278 174.278 173.180 1.098 19893 223 1 . 1 1 47 47 GLY CA C 47 45.972 45.972 45.476 0.496 19893 224 1 . 1 1 47 47 GLY H H 47 8.513 8.513 8.500 0.013 19893 225 1 . 1 1 48 48 MET N N 48 120.460 120.460 121.208 -0.748 19893 226 1 . 1 1 48 48 MET HA H 48 5.004 5.004 4.921 0.083 19893 227 1 . 1 1 48 48 MET CA C 48 53.307 53.307 52.750 0.556 19893 228 1 . 1 1 48 48 MET CB C 48 35.537 35.537 34.172 1.365 19893 229 1 . 1 1 48 48 MET H H 48 8.056 8.056 8.076 -0.020 19893 230 1 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.082 0.069 19893 231 1 . 1 1 50 50 LEU C C 50 179.381 179.381 178.809 0.572 19893 232 1 . 1 1 50 50 LEU CA C 50 59.884 59.884 58.398 1.486 19893 233 1 . 1 1 50 50 LEU CB C 50 40.795 40.795 40.872 -0.078 19893 234 1 . 1 1 51 51 ARG N N 51 113.058 113.058 119.219 -6.161 19893 235 1 . 1 1 51 51 ARG HA H 51 3.826 3.826 3.794 0.032 19893 236 1 . 1 1 51 51 ARG C C 51 178.376 178.376 177.836 0.540 19893 237 1 . 1 1 51 51 ARG CA C 51 61.473 61.473 59.175 2.298 19893 238 1 . 1 1 51 51 ARG CB C 51 31.095 31.095 28.845 2.250 19893 239 1 . 1 1 51 51 ARG H H 51 8.076 8.076 8.206 -0.130 19893 240 1 . 1 1 52 52 ALA N N 52 118.144 118.144 123.079 -4.935 19893 241 1 . 1 1 52 52 ALA HA H 52 4.090 4.090 4.009 0.081 19893 242 1 . 1 1 52 52 ALA C C 52 180.673 180.673 179.701 0.972 19893 243 1 . 1 1 52 52 ALA CA C 52 54.971 54.971 54.921 0.050 19893 244 1 . 1 1 52 52 ALA CB C 52 18.918 18.918 18.375 0.543 19893 245 1 . 1 1 52 52 ALA H H 52 7.095 7.095 7.925 -0.830 19893 246 1 . 1 1 53 53 TRP N N 53 121.809 121.809 116.656 5.153 19893 247 1 . 1 1 53 53 TRP HA H 53 4.309 4.309 4.558 -0.249 19893 248 1 . 1 1 53 53 TRP CA C 53 62.932 62.932 58.243 4.689 19893 249 1 . 1 1 53 53 TRP CB C 53 28.512 28.512 28.737 -0.225 19893 250 1 . 1 1 53 53 TRP H H 53 8.608 8.608 7.837 0.771 19893 251 1 . 1 1 54 54 VAL N N 54 120.508 120.508 122.471 -1.963 19893 252 1 . 1 1 54 54 VAL HA H 54 2.844 2.844 2.917 -0.073 19893 253 1 . 1 1 54 54 VAL C C 54 177.917 177.917 178.200 -0.283 19893 254 1 . 1 1 54 54 VAL CA C 54 67.434 67.434 66.167 1.267 19893 255 1 . 1 1 54 54 VAL CB C 54 31.517 31.517 30.637 0.880 19893 256 1 . 1 1 54 54 VAL H H 54 8.352 8.352 7.099 1.253 19893 257 1 . 1 1 55 55 ILE N N 55 118.131 118.131 119.689 -1.558 19893 258 1 . 1 1 55 55 ILE HA H 55 3.327 3.327 3.558 -0.231 19893 259 1 . 1 1 55 55 ILE CA C 55 66.790 66.790 65.671 1.119 19893 260 1 . 1 1 55 55 ILE CB C 55 39.269 39.269 37.368 1.901 19893 261 1 . 1 1 55 55 ILE H H 55 7.574 7.574 8.158 -0.584 19893 262 1 . 1 1 56 56 LYS N N 56 120.517 120.517 121.190 -0.673 19893 263 1 . 1 1 56 56 LYS HA H 56 4.052 4.052 4.037 0.015 19893 264 1 . 1 1 56 56 LYS C C 56 179.574 179.574 178.759 0.815 19893 265 1 . 1 1 56 56 LYS CA C 56 60.575 60.575 59.765 0.810 19893 266 1 . 1 1 56 56 LYS CB C 56 33.131 33.131 31.997 1.134 19893 267 1 . 1 1 56 56 LYS H H 56 8.354 8.354 8.161 0.193 19893 268 1 . 1 1 57 57 CYS N N 57 116.239 116.239 117.298 -1.059 19893 269 1 . 1 1 57 57 CYS HA H 57 3.914 3.914 4.176 -0.262 19893 270 1 . 1 1 57 57 CYS C C 57 178.985 178.985 176.875 2.110 19893 271 1 . 1 1 57 57 CYS CA C 57 63.432 63.432 62.462 0.970 19893 272 1 . 1 1 57 57 CYS CB C 57 27.589 27.589 26.807 0.782 19893 273 1 . 1 1 57 57 CYS H H 57 8.501 8.501 8.279 0.222 19893 274 1 . 1 1 58 58 ALA N N 58 123.819 123.819 123.412 0.407 19893 275 1 . 1 1 58 58 ALA HA H 58 4.035 4.035 4.238 -0.203 19893 276 1 . 1 1 58 58 ALA C C 58 177.753 177.753 178.726 -0.973 19893 277 1 . 1 1 58 58 ALA CA C 58 56.077 56.077 55.500 0.577 19893 278 1 . 1 1 58 58 ALA CB C 58 18.229 18.229 18.147 0.082 19893 279 1 . 1 1 58 58 ALA H H 58 8.605 8.605 8.529 0.076 19893 280 1 . 1 1 59 59 HIS N N 59 115.595 115.595 117.133 -1.538 19893 281 1 . 1 1 59 59 HIS HA H 59 3.515 3.515 4.138 -0.623 19893 282 1 . 1 1 59 59 HIS C C 59 177.271 177.271 177.455 -0.184 19893 283 1 . 1 1 59 59 HIS CA C 59 60.700 60.700 59.357 1.343 19893 284 1 . 1 1 59 59 HIS CB C 59 27.791 27.791 29.795 -2.004 19893 285 1 . 1 1 59 59 HIS H H 59 8.132 8.132 8.580 -0.448 19893 286 1 . 1 1 60 60 GLU N N 60 117.847 117.847 119.528 -1.681 19893 287 1 . 1 1 60 60 GLU HA H 60 3.774 3.774 3.876 -0.102 19893 288 1 . 1 1 60 60 GLU C C 60 179.157 179.157 177.943 1.214 19893 289 1 . 1 1 60 60 GLU CA C 60 59.774 59.774 58.390 1.384 19893 290 1 . 1 1 60 60 GLU CB C 60 29.897 29.897 29.132 0.765 19893 291 1 . 1 1 60 60 GLU H H 60 8.623 8.623 7.911 0.712 19893 292 1 . 1 1 61 61 ALA N N 61 122.193 122.193 120.770 1.423 19893 293 1 . 1 1 61 61 ALA HA H 61 4.063 4.063 4.199 -0.136 19893 294 1 . 1 1 61 61 ALA CA C 61 55.334 55.334 54.336 0.998 19893 295 1 . 1 1 61 61 ALA CB C 61 18.359 18.359 19.009 -0.650 19893 296 1 . 1 1 61 61 ALA H H 61 7.891 7.891 7.718 0.173 19893 297 1 . 1 1 62 62 LEU N N 62 120.135 120.135 119.190 0.945 19893 298 1 . 1 1 62 62 LEU HA H 62 3.961 3.961 4.073 -0.112 19893 299 1 . 1 1 62 62 LEU C C 62 178.813 178.813 178.309 0.504 19893 300 1 . 1 1 62 62 LEU CA C 62 56.519 56.519 55.947 0.572 19893 301 1 . 1 1 62 62 LEU CB C 62 42.684 42.684 41.584 1.100 19893 302 1 . 1 1 62 62 LEU H H 62 7.080 7.080 7.613 -0.533 19893 303 1 . 1 1 63 63 GLU N N 63 118.288 118.288 118.924 -0.636 19893 304 1 . 1 1 63 63 GLU HA H 63 3.706 3.706 3.974 -0.268 19893 305 1 . 1 1 63 63 GLU C C 63 179.261 179.261 177.670 1.591 19893 306 1 . 1 1 63 63 GLU CA C 63 59.196 59.196 58.578 0.618 19893 307 1 . 1 1 63 63 GLU CB C 63 30.065 30.065 29.257 0.808 19893 308 1 . 1 1 63 63 GLU H H 63 7.594 7.594 7.918 -0.324 19893 309 1 . 1 1 64 64 LYS N N 64 116.167 116.167 119.101 -2.934 19893 310 1 . 1 1 64 64 LYS HA H 64 4.077 4.077 4.114 -0.037 19893 311 1 . 1 1 64 64 LYS C C 64 177.763 177.763 176.760 1.003 19893 312 1 . 1 1 64 64 LYS H H 64 7.342 7.342 7.673 -0.331 19893 313 1 . 1 1 65 65 ASN N N 65 113.899 113.899 116.527 -2.628 19893 314 1 . 1 1 65 65 ASN HA H 65 4.955 4.955 4.999 -0.044 19893 315 1 . 1 1 65 65 ASN CA C 65 50.853 50.853 50.367 0.486 19893 316 1 . 1 1 65 65 ASN CB C 65 39.463 39.463 39.932 -0.469 19893 317 1 . 1 1 65 65 ASN H H 65 7.480 7.480 7.789 -0.309 19893 318 1 . 1 1 66 66 PRO HA H 66 4.595 4.595 4.680 -0.085 19893 319 1 . 1 1 66 66 PRO C C 66 177.769 177.769 175.423 2.346 19893 320 1 . 1 1 66 66 PRO CA C 66 64.477 64.477 62.329 2.148 19893 321 1 . 1 1 66 66 PRO CB C 66 32.840 32.840 30.563 2.277 19893 322 1 . 1 1 67 67 LYS N N 67 115.189 115.189 121.203 -6.014 19893 323 1 . 1 1 67 67 LYS HA H 67 4.264 4.264 4.476 -0.212 19893 324 1 . 1 1 67 67 LYS C C 67 178.271 178.271 174.294 3.977 19893 325 1 . 1 1 67 67 LYS CA C 67 55.906 55.906 55.197 0.708 19893 326 1 . 1 1 67 67 LYS CB C 67 33.131 33.131 36.018 -2.887 19893 327 1 . 1 1 67 67 LYS H H 67 7.611 7.611 7.642 -0.031 19893 328 1 . 1 1 68 68 ILE N N 68 118.905 118.905 123.191 -4.286 19893 329 1 . 1 1 68 68 ILE HA H 68 4.170 4.170 5.330 -1.160 19893 330 1 . 1 1 68 68 ILE C C 68 177.006 177.006 174.894 2.112 19893 331 1 . 1 1 68 68 ILE CA C 68 63.373 63.373 59.699 3.674 19893 332 1 . 1 1 68 68 ILE CB C 68 39.916 39.916 39.195 0.721 19893 333 1 . 1 1 68 68 ILE H H 68 7.662 7.662 8.494 -0.832 19893 334 1 . 1 1 69 69 ARG N N 69 119.690 119.690 129.210 -9.520 19893 335 1 . 1 1 69 69 ARG HA H 69 4.956 4.956 4.675 0.281 19893 336 1 . 1 1 69 69 ARG C C 69 175.294 175.294 173.790 1.504 19893 337 1 . 1 1 69 69 ARG CA C 69 54.493 54.493 54.749 -0.256 19893 338 1 . 1 1 69 69 ARG CB C 69 31.487 31.487 34.774 -3.287 19893 339 1 . 1 1 69 69 ARG H H 69 9.018 9.018 9.153 -0.135 19893 340 1 . 1 1 70 70 GLU N N 70 116.461 116.461 123.289 -6.828 19893 341 1 . 1 1 70 70 GLU HA H 70 4.961 4.961 4.832 0.129 19893 342 1 . 1 1 70 70 GLU C C 70 174.398 174.398 174.808 -0.410 19893 343 1 . 1 1 70 70 GLU CA C 70 54.537 54.537 54.586 -0.049 19893 344 1 . 1 1 70 70 GLU CB C 70 32.850 32.850 32.284 0.566 19893 345 1 . 1 1 70 70 GLU H H 70 7.565 7.565 8.518 -0.953 19893 346 1 . 1 1 71 71 VAL N N 71 116.838 116.838 119.807 -2.969 19893 347 1 . 1 1 71 71 VAL HA H 71 4.461 4.461 4.344 0.117 19893 348 1 . 1 1 71 71 VAL CA C 71 61.024 61.024 60.053 0.971 19893 349 1 . 1 1 71 71 VAL CB C 71 35.777 35.777 36.112 -0.335 19893 350 1 . 1 1 71 71 VAL H H 71 8.946 8.946 8.587 0.359 19893 351 1 . 1 1 72 72 TYR N N 72 125.566 125.566 120.907 4.659 19893 352 1 . 1 1 72 72 TYR HA H 72 5.433 5.433 4.905 0.528 19893 353 1 . 1 1 72 72 TYR C C 72 176.183 176.183 174.318 1.865 19893 354 1 . 1 1 72 72 TYR CA C 72 57.950 57.950 55.862 2.088 19893 355 1 . 1 1 72 72 TYR CB C 72 40.213 40.213 39.226 0.987 19893 356 1 . 1 1 72 72 TYR H H 72 8.689 8.689 8.227 0.462 19893 357 1 . 1 1 73 73 LEU N N 73 122.757 122.757 124.908 -2.151 19893 358 1 . 1 1 73 73 LEU HA H 73 5.020 5.020 4.782 0.238 19893 359 1 . 1 1 73 73 LEU C C 73 176.134 176.134 175.811 0.323 19893 360 1 . 1 1 73 73 LEU CA C 73 53.708 53.708 53.960 -0.252 19893 361 1 . 1 1 73 73 LEU CB C 73 46.349 46.349 45.073 1.276 19893 362 1 . 1 1 73 73 LEU H H 73 9.202 9.202 8.911 0.291 19893 363 1 . 1 1 74 74 LYS N N 74 124.941 124.941 124.535 0.406 19893 364 1 . 1 1 74 74 LYS HA H 74 5.336 5.336 5.043 0.293 19893 365 1 . 1 1 74 74 LYS CA C 74 53.473 53.473 52.701 0.772 19893 366 1 . 1 1 74 74 LYS CB C 74 34.986 34.986 34.495 0.491 19893 367 1 . 1 1 74 74 LYS H H 74 9.205 9.205 8.632 0.573 19893 368 1 . 1 1 75 75 PRO HA H 75 3.959 3.959 2.499 1.460 19893 369 1 . 1 1 75 75 PRO C C 75 176.549 176.549 176.841 -0.292 19893 370 1 . 1 1 75 75 PRO CA C 75 63.450 63.450 62.579 0.871 19893 371 1 . 1 1 75 75 PRO CB C 75 32.618 32.618 31.813 0.805 19893 372 1 . 1 1 76 76 ARG N N 76 122.429 122.429 121.923 0.506 19893 373 1 . 1 1 76 76 ARG HA H 76 4.408 4.408 4.109 0.299 19893 374 1 . 1 1 76 76 ARG C C 76 178.244 178.244 174.951 3.293 19893 375 1 . 1 1 76 76 ARG CA C 76 56.823 56.823 55.470 1.353 19893 376 1 . 1 1 76 76 ARG CB C 76 32.455 32.455 28.413 4.042 19893 377 1 . 1 1 76 76 ARG H H 76 10.063 10.063 7.905 2.158 19893 378 1 . 1 1 77 77 ALA N N 77 127.287 127.287 122.644 4.643 19893 379 1 . 1 1 77 77 ALA HA H 77 4.141 4.141 4.589 -0.448 19893 380 1 . 1 1 77 77 ALA C C 77 179.691 179.691 176.706 2.985 19893 381 1 . 1 1 77 77 ALA CA C 77 54.868 54.868 50.887 3.981 19893 382 1 . 1 1 77 77 ALA CB C 77 19.502 19.502 20.487 -0.985 19893 383 1 . 1 1 77 77 ALA H H 77 9.710 9.710 7.875 1.835 19893 384 1 . 1 1 78 78 VAL N N 78 118.326 118.326 117.860 0.466 19893 385 1 . 1 1 78 78 VAL HA H 78 4.021 4.021 4.162 -0.141 19893 386 1 . 1 1 78 78 VAL CA C 78 63.481 63.481 63.674 -0.193 19893 387 1 . 1 1 78 78 VAL CB C 78 32.599 32.599 32.932 -0.333 19893 388 1 . 1 1 78 78 VAL H H 78 7.954 7.954 8.332 -0.378 19893 389 1 . 1 1 79 79 LYS N N 79 125.429 125.429 120.555 4.874 19893 390 1 . 1 1 79 79 LYS CA C 79 59.788 59.788 55.468 4.320 19893 391 1 . 1 1 79 79 LYS H H 79 8.695 8.695 8.253 0.442 19893 392 1 . 1 1 80 80 ASN HA H 80 4.790 4.790 4.773 0.017 19893 393 1 . 1 1 80 80 ASN C C 80 175.317 175.317 175.513 -0.196 19893 394 1 . 1 1 80 80 ASN CA C 80 53.704 53.704 53.752 -0.048 19893 395 1 . 1 1 80 80 ASN CB C 80 38.854 38.854 39.175 -0.321 19893 396 1 . 1 1 81 81 SER N N 81 113.408 113.408 121.750 -8.342 19893 397 1 . 1 1 81 81 SER HA H 81 4.408 4.408 4.607 -0.199 19893 398 1 . 1 1 81 81 SER CA C 81 59.296 59.296 58.677 0.619 19893 399 1 . 1 1 81 81 SER CB C 81 64.171 64.171 63.618 0.553 19893 400 1 . 1 1 81 81 SER H H 81 7.715 7.715 8.880 -1.165 19893 401 1 . 1 1 82 82 SER N N 82 117.894 117.894 115.736 2.158 19893 402 1 . 1 1 82 82 SER HA H 82 4.541 4.541 4.455 0.086 19893 403 1 . 1 1 82 82 SER C C 82 174.196 174.196 172.754 1.442 19893 404 1 . 1 1 82 82 SER CA C 82 58.767 58.767 58.724 0.043 19893 405 1 . 1 1 82 82 SER CB C 82 64.382 64.382 63.078 1.304 19893 406 1 . 1 1 82 82 SER H H 82 8.472 8.472 8.219 0.253 19893 407 1 . 1 1 83 83 VAL N N 83 122.430 122.430 122.081 0.349 19893 408 1 . 1 1 83 83 VAL HA H 83 4.401 4.401 4.517 -0.116 19893 409 1 . 1 1 83 83 VAL C C 83 174.614 174.614 173.909 0.705 19893 410 1 . 1 1 83 83 VAL CA C 83 62.532 62.532 60.619 1.913 19893 411 1 . 1 1 83 83 VAL CB C 83 34.388 34.388 33.759 0.629 19893 412 1 . 1 1 83 83 VAL H H 83 7.686 7.686 7.814 -0.128 19893 413 1 . 1 1 84 84 GLN N N 84 123.141 123.141 126.609 -3.468 19893 414 1 . 1 1 84 84 GLN HA H 84 4.787 4.787 5.143 -0.356 19893 415 1 . 1 1 84 84 GLN C C 84 174.077 174.077 174.704 -0.627 19893 416 1 . 1 1 84 84 GLN CA C 84 55.073 55.073 54.342 0.731 19893 417 1 . 1 1 84 84 GLN CB C 84 32.723 32.723 32.683 0.040 19893 418 1 . 1 1 84 84 GLN H H 84 8.287 8.287 8.931 -0.644 19893 419 1 . 1 1 85 85 PHE N N 85 121.281 121.281 120.153 1.128 19893 420 1 . 1 1 85 85 PHE HA H 85 5.288 5.288 5.070 0.218 19893 421 1 . 1 1 85 85 PHE C C 85 175.063 175.063 175.326 -0.263 19893 422 1 . 1 1 85 85 PHE CA C 85 57.435 57.435 56.684 0.751 19893 423 1 . 1 1 85 85 PHE CB C 85 41.208 41.208 43.332 -2.124 19893 424 1 . 1 1 85 85 PHE H H 85 9.241 9.241 9.592 -0.351 19893 425 1 . 1 1 86 86 HIS N N 86 125.300 125.300 121.285 4.015 19893 426 1 . 1 1 86 86 HIS HA H 86 4.747 4.747 5.041 -0.294 19893 427 1 . 1 1 86 86 HIS C C 86 172.315 172.315 173.463 -1.148 19893 428 1 . 1 1 86 86 HIS CA C 86 52.353 52.353 55.126 -2.773 19893 429 1 . 1 1 86 86 HIS CB C 86 30.085 30.085 32.489 -2.404 19893 430 1 . 1 1 86 86 HIS H H 86 9.340 9.340 8.852 0.488 19893 431 1 . 1 1 87 87 VAL N N 87 127.396 127.396 127.034 0.362 19893 432 1 . 1 1 87 87 VAL HA H 87 4.223 4.223 5.224 -1.001 19893 433 1 . 1 1 87 87 VAL C C 87 173.887 173.887 173.610 0.277 19893 434 1 . 1 1 87 87 VAL CA C 87 61.138 61.138 59.009 2.129 19893 435 1 . 1 1 87 87 VAL CB C 87 31.976 31.976 35.318 -3.342 19893 436 1 . 1 1 87 87 VAL H H 87 8.722 8.722 9.185 -0.463 19893 437 1 . 1 1 88 88 ILE N N 88 127.814 127.814 129.560 -1.746 19893 438 1 . 1 1 88 88 ILE HA H 88 3.785 3.785 4.138 -0.353 19893 439 1 . 1 1 88 88 ILE C C 88 174.542 174.542 175.128 -0.586 19893 440 1 . 1 1 88 88 ILE CA C 88 60.420 60.420 59.707 0.713 19893 441 1 . 1 1 88 88 ILE CB C 88 41.068 41.068 38.052 3.016 19893 442 1 . 1 1 88 88 ILE H H 88 8.605 8.605 8.639 -0.034 19893 443 1 . 1 1 89 89 PHE N N 89 125.156 125.156 128.686 -3.530 19893 444 1 . 1 1 89 89 PHE HA H 89 5.681 5.681 5.178 0.503 19893 445 1 . 1 1 89 89 PHE C C 89 175.138 175.138 175.624 -0.486 19893 446 1 . 1 1 89 89 PHE CA C 89 53.319 53.319 55.093 -1.774 19893 447 1 . 1 1 89 89 PHE CB C 89 39.410 39.410 37.896 1.514 19893 448 1 . 1 1 89 89 PHE H H 89 7.872 7.872 8.864 -0.992 19893 449 1 . 1 1 90 90 ASP N N 90 125.113 125.113 126.232 -1.119 19893 450 1 . 1 1 90 90 ASP HA H 90 4.811 4.811 4.896 -0.085 19893 451 1 . 1 1 90 90 ASP C C 90 176.988 176.988 175.357 1.631 19893 452 1 . 1 1 90 90 ASP CA C 90 54.501 54.501 53.951 0.550 19893 453 1 . 1 1 90 90 ASP CB C 90 42.286 42.286 41.439 0.847 19893 454 1 . 1 1 90 90 ASP H H 90 8.740 8.740 8.818 -0.078 19893 455 1 . 1 1 91 91 GLU N N 91 124.589 124.589 127.132 -2.543 19893 456 1 . 1 1 91 91 GLU HA H 91 4.374 4.374 4.611 -0.237 19893 457 1 . 1 1 91 91 GLU C C 91 175.801 175.801 174.895 0.906 19893 458 1 . 1 1 91 91 GLU CA C 91 57.471 57.471 54.325 3.146 19893 459 1 . 1 1 91 91 GLU CB C 91 31.192 31.192 29.998 1.194 19893 460 1 . 1 1 91 91 GLU H H 91 9.028 9.028 8.179 0.849 19893 stop_ save_