data_25584 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25584 _Entry.PDB_ID 2N23 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 25584 _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 22 22 ASP N N 22 122.413 122.413 116.596 5.817 25584 2 1 1 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.852 -0.181 25584 3 1 1 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.627 2.955 25584 4 1 1 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.461 -1.322 25584 5 1 1 . 1 1 23 23 THR N N 23 113.872 113.872 114.491 -0.619 25584 6 1 1 . 1 1 23 23 THR HA H 23 4.286 4.286 4.575 -0.289 25584 7 1 1 . 1 1 23 23 THR CA C 23 62.030 62.030 60.975 1.055 25584 8 1 1 . 1 1 23 23 THR CB C 23 69.681 69.681 67.841 1.841 25584 9 1 1 . 1 1 23 23 THR H H 23 8.114 8.114 8.196 -0.082 25584 10 1 1 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.121 0.167 25584 11 1 1 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.383 0.001 25584 12 1 1 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.537 0.733 25584 13 1 1 . 1 1 25 25 ASP N N 25 121.295 121.295 126.645 -5.350 25584 14 1 1 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.625 -0.076 25584 15 1 1 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.317 -0.306 25584 16 1 1 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.433 -0.035 25584 17 1 1 . 1 1 25 25 ASP H H 25 8.269 8.269 9.020 -0.751 25584 18 1 1 . 1 1 26 26 ASP N N 26 120.922 120.922 122.788 -1.866 25584 19 1 1 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.590 -1.150 25584 20 1 1 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.309 4.061 25584 21 1 1 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.389 -3.397 25584 22 1 1 . 1 1 26 26 ASP H H 26 8.236 8.236 8.412 -0.176 25584 23 1 1 . 1 1 27 27 PHE N N 27 119.725 119.725 123.638 -3.913 25584 24 1 1 . 1 1 27 27 PHE HA H 27 4.405 4.405 4.962 -0.557 25584 25 1 1 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.888 2.331 25584 26 1 1 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.207 -2.079 25584 27 1 1 . 1 1 27 27 PHE H H 27 8.092 8.092 9.199 -1.107 25584 28 1 1 . 1 1 28 28 LEU N N 28 120.070 120.070 130.714 -10.644 25584 29 1 1 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.081 -0.914 25584 30 1 1 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.482 1.364 25584 31 1 1 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.566 -0.471 25584 32 1 1 . 1 1 28 28 LEU H H 28 7.896 7.896 8.819 -0.923 25584 33 1 1 . 1 1 29 29 LYS N N 29 119.870 119.870 130.281 -10.411 25584 34 1 1 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.688 -1.118 25584 35 1 1 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.294 0.498 25584 36 1 1 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.033 -2.473 25584 37 1 1 . 1 1 29 29 LYS H H 29 7.823 7.823 9.157 -1.334 25584 38 1 1 . 1 1 30 30 TRP N N 30 120.769 120.769 128.287 -7.518 25584 39 1 1 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.569 -1.240 25584 40 1 1 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.132 4.066 25584 41 1 1 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.946 -3.159 25584 42 1 1 . 1 1 30 30 TRP H H 30 7.403 7.403 8.763 -1.360 25584 43 1 1 . 1 1 31 31 TRP N N 31 120.764 120.764 124.203 -3.439 25584 44 1 1 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.222 0.004 25584 45 1 1 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.822 0.990 25584 46 1 1 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.663 -2.156 25584 47 1 1 . 1 1 31 31 TRP H H 31 7.348 7.348 8.345 -0.997 25584 48 1 1 . 1 1 32 32 ARG N N 32 120.786 120.786 119.282 1.504 25584 49 1 1 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.922 0.239 25584 50 1 1 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.307 -3.045 25584 51 1 1 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.194 0.354 25584 52 1 1 . 1 1 32 32 ARG H H 32 7.318 7.318 8.766 -1.448 25584 53 1 1 . 1 1 33 33 SER N N 33 115.787 115.787 115.711 0.076 25584 54 1 1 . 1 1 33 33 SER HA H 33 4.329 4.329 4.394 -0.065 25584 55 1 1 . 1 1 33 33 SER CA C 33 58.741 58.741 58.356 0.385 25584 56 1 1 . 1 1 33 33 SER CB C 33 63.884 63.884 63.483 0.402 25584 57 1 1 . 1 1 33 33 SER H H 33 7.836 7.836 8.086 -0.250 25584 58 1 1 . 1 1 34 34 GLU N N 34 122.289 122.289 118.729 3.560 25584 59 1 1 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.888 0.308 25584 60 1 1 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.463 1.102 25584 61 1 1 . 1 1 34 34 GLU H H 34 8.485 8.485 7.558 0.927 25584 62 1 1 . 1 1 35 35 GLU N N 35 120.374 120.374 121.906 -1.532 25584 63 1 1 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.170 0.033 25584 64 1 1 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.415 -1.497 25584 65 1 1 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.218 -0.223 25584 66 1 1 . 1 1 35 35 GLU H H 35 8.222 8.222 8.222 0.000 25584 67 1 1 . 1 1 36 36 ALA N N 36 123.937 123.937 122.742 1.195 25584 68 1 1 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.441 -0.193 25584 69 1 1 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.005 0.775 25584 70 1 1 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.856 -0.714 25584 71 1 1 . 1 1 36 36 ALA H H 36 8.069 8.069 7.555 0.514 25584 72 1 1 . 1 1 37 37 GLN N N 37 118.851 118.851 124.803 -5.952 25584 73 1 1 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.773 -0.514 25584 74 1 1 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.067 2.042 25584 75 1 1 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.888 -2.438 25584 76 1 1 . 1 1 37 37 GLN H H 37 8.163 8.163 8.495 -0.332 25584 77 1 1 . 1 1 38 38 ASP N N 38 120.904 120.904 128.822 -7.918 25584 78 1 1 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.046 -0.467 25584 79 1 1 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.022 2.516 25584 80 1 1 . 1 1 38 38 ASP CB C 38 41.201 41.201 42.755 -1.554 25584 81 1 1 . 1 1 38 38 ASP H H 38 8.255 8.255 9.073 -0.818 25584 82 1 1 . 1 1 39 39 MET N N 39 120.807 120.807 125.187 -4.380 25584 83 1 1 . 1 1 39 39 MET HA H 39 4.483 4.483 5.142 -0.659 25584 84 1 1 . 1 1 39 39 MET CA C 39 55.373 55.373 54.533 0.840 25584 85 1 1 . 1 1 39 39 MET CB C 39 33.009 33.009 33.733 -0.724 25584 86 1 1 . 1 1 39 39 MET H H 39 8.198 8.198 8.688 -0.490 25584 87 1 1 . 1 1 40 40 GLY N N 40 115.885 115.885 116.852 -0.967 25584 88 1 1 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.870 3.420 25584 89 1 1 . 1 1 40 40 GLY H H 40 8.034 8.034 9.320 -1.286 25584 90 1 2 . 1 1 22 22 ASP N N 22 122.413 122.413 117.496 4.917 25584 91 1 2 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.972 -0.301 25584 92 1 2 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.401 3.181 25584 93 1 2 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.785 -1.646 25584 94 1 2 . 1 1 23 23 THR N N 23 113.872 113.872 113.604 0.268 25584 95 1 2 . 1 1 23 23 THR HA H 23 4.286 4.286 4.451 -0.165 25584 96 1 2 . 1 1 23 23 THR CA C 23 62.030 62.030 61.150 0.880 25584 97 1 2 . 1 1 23 23 THR CB C 23 69.681 69.681 68.032 1.649 25584 98 1 2 . 1 1 23 23 THR H H 23 8.114 8.114 7.972 0.142 25584 99 1 2 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.140 0.148 25584 100 1 2 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.558 -0.174 25584 101 1 2 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.706 0.564 25584 102 1 2 . 1 1 25 25 ASP N N 25 121.295 121.295 125.030 -3.735 25584 103 1 2 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.669 -0.120 25584 104 1 2 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.223 -0.212 25584 105 1 2 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.132 0.266 25584 106 1 2 . 1 1 25 25 ASP H H 25 8.269 8.269 8.703 -0.434 25584 107 1 2 . 1 1 26 26 ASP N N 26 120.922 120.922 122.954 -2.032 25584 108 1 2 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.507 -1.067 25584 109 1 2 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.184 4.186 25584 110 1 2 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.788 -2.796 25584 111 1 2 . 1 1 26 26 ASP H H 26 8.236 8.236 8.330 -0.094 25584 112 1 2 . 1 1 27 27 PHE N N 27 119.725 119.725 124.011 -4.286 25584 113 1 2 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.092 -0.687 25584 114 1 2 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.812 2.407 25584 115 1 2 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.419 -2.291 25584 116 1 2 . 1 1 27 27 PHE H H 27 8.092 8.092 9.282 -1.190 25584 117 1 2 . 1 1 28 28 LEU N N 28 120.070 120.070 130.874 -10.804 25584 118 1 2 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.052 -0.885 25584 119 1 2 . 1 1 28 28 LEU CA C 28 55.846 55.846 55.135 0.711 25584 120 1 2 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.654 -0.559 25584 121 1 2 . 1 1 28 28 LEU H H 28 7.896 7.896 8.826 -0.930 25584 122 1 2 . 1 1 29 29 LYS N N 29 119.870 119.870 130.564 -10.694 25584 123 1 2 . 1 1 29 29 LYS HA H 29 3.570 3.570 5.010 -1.440 25584 124 1 2 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.137 0.655 25584 125 1 2 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.491 -2.931 25584 126 1 2 . 1 1 29 29 LYS H H 29 7.823 7.823 9.326 -1.503 25584 127 1 2 . 1 1 30 30 TRP N N 30 120.769 120.769 128.592 -7.823 25584 128 1 2 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.456 -1.127 25584 129 1 2 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.274 3.924 25584 130 1 2 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.676 -2.889 25584 131 1 2 . 1 1 30 30 TRP H H 30 7.403 7.403 8.798 -1.395 25584 132 1 2 . 1 1 31 31 TRP N N 31 120.764 120.764 126.117 -5.353 25584 133 1 2 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.176 0.050 25584 134 1 2 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.985 0.827 25584 135 1 2 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.209 -1.702 25584 136 1 2 . 1 1 31 31 TRP H H 31 7.348 7.348 8.372 -1.024 25584 137 1 2 . 1 1 32 32 ARG N N 32 120.786 120.786 121.208 -0.422 25584 138 1 2 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.921 0.240 25584 139 1 2 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.947 -2.685 25584 140 1 2 . 1 1 32 32 ARG CB C 32 30.548 30.548 29.902 0.645 25584 141 1 2 . 1 1 32 32 ARG H H 32 7.318 7.318 9.009 -1.691 25584 142 1 2 . 1 1 33 33 SER N N 33 115.787 115.787 115.153 0.634 25584 143 1 2 . 1 1 33 33 SER HA H 33 4.329 4.329 4.332 -0.003 25584 144 1 2 . 1 1 33 33 SER CA C 33 58.741 58.741 59.105 -0.364 25584 145 1 2 . 1 1 33 33 SER CB C 33 63.884 63.884 63.478 0.406 25584 146 1 2 . 1 1 33 33 SER H H 33 7.836 7.836 8.179 -0.343 25584 147 1 2 . 1 1 34 34 GLU N N 34 122.289 122.289 118.986 3.303 25584 148 1 2 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.916 0.280 25584 149 1 2 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.536 1.028 25584 150 1 2 . 1 1 34 34 GLU H H 34 8.485 8.485 8.032 0.453 25584 151 1 2 . 1 1 35 35 GLU N N 35 120.374 120.374 122.036 -1.662 25584 152 1 2 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.215 -0.012 25584 153 1 2 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.123 -1.205 25584 154 1 2 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.387 -0.392 25584 155 1 2 . 1 1 35 35 GLU H H 35 8.222 8.222 8.101 0.121 25584 156 1 2 . 1 1 36 36 ALA N N 36 123.937 123.937 122.821 1.116 25584 157 1 2 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.395 -0.147 25584 158 1 2 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.438 0.342 25584 159 1 2 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.860 -0.718 25584 160 1 2 . 1 1 36 36 ALA H H 36 8.069 8.069 7.942 0.127 25584 161 1 2 . 1 1 37 37 GLN N N 37 118.851 118.851 124.223 -5.372 25584 162 1 2 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.681 -0.422 25584 163 1 2 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.843 1.266 25584 164 1 2 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.660 -2.210 25584 165 1 2 . 1 1 37 37 GLN H H 37 8.163 8.163 8.464 -0.301 25584 166 1 2 . 1 1 38 38 ASP N N 38 120.904 120.904 130.143 -9.239 25584 167 1 2 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.087 -0.508 25584 168 1 2 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.922 2.616 25584 169 1 2 . 1 1 38 38 ASP CB C 38 41.201 41.201 42.537 -1.336 25584 170 1 2 . 1 1 38 38 ASP H H 38 8.255 8.255 9.315 -1.060 25584 171 1 2 . 1 1 39 39 MET N N 39 120.807 120.807 125.899 -5.092 25584 172 1 2 . 1 1 39 39 MET HA H 39 4.483 4.483 5.236 -0.753 25584 173 1 2 . 1 1 39 39 MET CA C 39 55.373 55.373 54.837 0.535 25584 174 1 2 . 1 1 39 39 MET CB C 39 33.009 33.009 33.304 -0.295 25584 175 1 2 . 1 1 39 39 MET H H 39 8.198 8.198 8.801 -0.603 25584 176 1 2 . 1 1 40 40 GLY N N 40 115.885 115.885 118.427 -2.542 25584 177 1 2 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.812 2.478 25584 178 1 2 . 1 1 40 40 GLY H H 40 8.034 8.034 9.412 -1.378 25584 179 1 3 . 1 1 22 22 ASP N N 22 122.413 122.413 116.478 5.935 25584 180 1 3 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.893 -0.222 25584 181 1 3 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.186 2.396 25584 182 1 3 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.366 -1.227 25584 183 1 3 . 1 1 23 23 THR N N 23 113.872 113.872 114.497 -0.625 25584 184 1 3 . 1 1 23 23 THR HA H 23 4.286 4.286 4.528 -0.242 25584 185 1 3 . 1 1 23 23 THR CA C 23 62.030 62.030 60.741 1.289 25584 186 1 3 . 1 1 23 23 THR CB C 23 69.681 69.681 67.691 1.990 25584 187 1 3 . 1 1 23 23 THR H H 23 8.114 8.114 8.121 -0.007 25584 188 1 3 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.134 0.154 25584 189 1 3 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.390 -0.006 25584 190 1 3 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.424 0.846 25584 191 1 3 . 1 1 25 25 ASP N N 25 121.295 121.295 126.249 -4.954 25584 192 1 3 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.636 -0.087 25584 193 1 3 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.263 -0.252 25584 194 1 3 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.502 -0.104 25584 195 1 3 . 1 1 25 25 ASP H H 25 8.269 8.269 8.671 -0.402 25584 196 1 3 . 1 1 26 26 ASP N N 26 120.922 120.922 122.551 -1.629 25584 197 1 3 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.558 -1.118 25584 198 1 3 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.160 4.210 25584 199 1 3 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.049 -3.057 25584 200 1 3 . 1 1 26 26 ASP H H 26 8.236 8.236 8.381 -0.145 25584 201 1 3 . 1 1 27 27 PHE N N 27 119.725 119.725 123.708 -3.983 25584 202 1 3 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.065 -0.660 25584 203 1 3 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.886 2.333 25584 204 1 3 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.367 -2.239 25584 205 1 3 . 1 1 27 27 PHE H H 27 8.092 8.092 9.293 -1.201 25584 206 1 3 . 1 1 28 28 LEU N N 28 120.070 120.070 130.897 -10.827 25584 207 1 3 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.205 -1.038 25584 208 1 3 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.935 0.911 25584 209 1 3 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.674 -0.579 25584 210 1 3 . 1 1 28 28 LEU H H 28 7.896 7.896 8.917 -1.021 25584 211 1 3 . 1 1 29 29 LYS N N 29 119.870 119.870 130.381 -10.511 25584 212 1 3 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.903 -1.333 25584 213 1 3 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.159 0.633 25584 214 1 3 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.378 -2.818 25584 215 1 3 . 1 1 29 29 LYS H H 29 7.823 7.823 8.957 -1.134 25584 216 1 3 . 1 1 30 30 TRP N N 30 120.769 120.769 128.471 -7.702 25584 217 1 3 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.318 -0.989 25584 218 1 3 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.586 3.612 25584 219 1 3 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.313 -3.526 25584 220 1 3 . 1 1 30 30 TRP H H 30 7.403 7.403 8.696 -1.293 25584 221 1 3 . 1 1 31 31 TRP N N 31 120.764 120.764 126.158 -5.394 25584 222 1 3 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.311 -0.085 25584 223 1 3 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.949 0.863 25584 224 1 3 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.535 -2.028 25584 225 1 3 . 1 1 31 31 TRP H H 31 7.348 7.348 8.566 -1.218 25584 226 1 3 . 1 1 32 32 ARG N N 32 120.786 120.786 121.643 -0.857 25584 227 1 3 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.936 0.225 25584 228 1 3 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.144 -2.882 25584 229 1 3 . 1 1 32 32 ARG CB C 32 30.548 30.548 29.863 0.685 25584 230 1 3 . 1 1 32 32 ARG H H 32 7.318 7.318 8.760 -1.442 25584 231 1 3 . 1 1 33 33 SER N N 33 115.787 115.787 114.600 1.187 25584 232 1 3 . 1 1 33 33 SER HA H 33 4.329 4.329 4.296 0.033 25584 233 1 3 . 1 1 33 33 SER CA C 33 58.741 58.741 58.463 0.278 25584 234 1 3 . 1 1 33 33 SER CB C 33 63.884 63.884 63.054 0.830 25584 235 1 3 . 1 1 33 33 SER H H 33 7.836 7.836 8.060 -0.224 25584 236 1 3 . 1 1 34 34 GLU N N 34 122.289 122.289 120.327 1.962 25584 237 1 3 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.915 0.281 25584 238 1 3 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.535 1.030 25584 239 1 3 . 1 1 34 34 GLU H H 34 8.485 8.485 8.135 0.350 25584 240 1 3 . 1 1 35 35 GLU N N 35 120.374 120.374 121.403 -1.029 25584 241 1 3 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.301 -0.098 25584 242 1 3 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.127 -1.209 25584 243 1 3 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.710 -0.715 25584 244 1 3 . 1 1 35 35 GLU H H 35 8.222 8.222 8.122 0.100 25584 245 1 3 . 1 1 36 36 ALA N N 36 123.937 123.937 123.327 0.610 25584 246 1 3 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.504 -0.256 25584 247 1 3 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.958 0.822 25584 248 1 3 . 1 1 36 36 ALA CB C 36 19.142 19.142 20.201 -1.058 25584 249 1 3 . 1 1 36 36 ALA H H 36 8.069 8.069 7.928 0.141 25584 250 1 3 . 1 1 37 37 GLN N N 37 118.851 118.851 123.963 -5.112 25584 251 1 3 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.565 -0.306 25584 252 1 3 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.437 1.672 25584 253 1 3 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.659 -2.209 25584 254 1 3 . 1 1 37 37 GLN H H 37 8.163 8.163 8.500 -0.337 25584 255 1 3 . 1 1 38 38 ASP N N 38 120.904 120.904 128.602 -7.698 25584 256 1 3 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.054 -0.475 25584 257 1 3 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.873 2.664 25584 258 1 3 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.070 -1.869 25584 259 1 3 . 1 1 38 38 ASP H H 38 8.255 8.255 9.140 -0.885 25584 260 1 3 . 1 1 39 39 MET N N 39 120.807 120.807 125.394 -4.587 25584 261 1 3 . 1 1 39 39 MET HA H 39 4.483 4.483 5.008 -0.525 25584 262 1 3 . 1 1 39 39 MET CA C 39 55.373 55.373 55.120 0.253 25584 263 1 3 . 1 1 39 39 MET CB C 39 33.009 33.009 33.104 -0.095 25584 264 1 3 . 1 1 39 39 MET H H 39 8.198 8.198 8.738 -0.540 25584 265 1 3 . 1 1 40 40 GLY N N 40 115.885 115.885 117.978 -2.093 25584 266 1 3 . 1 1 40 40 GLY CA C 40 46.290 46.290 44.010 2.280 25584 267 1 3 . 1 1 40 40 GLY H H 40 8.034 8.034 9.366 -1.332 25584 268 1 4 . 1 1 22 22 ASP N N 22 122.413 122.413 115.900 6.513 25584 269 1 4 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.891 -0.220 25584 270 1 4 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.925 2.657 25584 271 1 4 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.947 -1.808 25584 272 1 4 . 1 1 23 23 THR N N 23 113.872 113.872 114.306 -0.434 25584 273 1 4 . 1 1 23 23 THR HA H 23 4.286 4.286 4.519 -0.233 25584 274 1 4 . 1 1 23 23 THR CA C 23 62.030 62.030 60.618 1.412 25584 275 1 4 . 1 1 23 23 THR CB C 23 69.681 69.681 68.866 0.815 25584 276 1 4 . 1 1 23 23 THR H H 23 8.114 8.114 8.097 0.017 25584 277 1 4 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.038 0.250 25584 278 1 4 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.301 0.083 25584 279 1 4 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.338 0.932 25584 280 1 4 . 1 1 25 25 ASP N N 25 121.295 121.295 126.609 -5.314 25584 281 1 4 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.631 -0.083 25584 282 1 4 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.259 -0.248 25584 283 1 4 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.706 -0.309 25584 284 1 4 . 1 1 25 25 ASP H H 25 8.269 8.269 9.310 -1.041 25584 285 1 4 . 1 1 26 26 ASP N N 26 120.922 120.922 121.518 -0.596 25584 286 1 4 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.750 -1.310 25584 287 1 4 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.435 3.935 25584 288 1 4 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.437 -3.445 25584 289 1 4 . 1 1 26 26 ASP H H 26 8.236 8.236 8.492 -0.256 25584 290 1 4 . 1 1 27 27 PHE N N 27 119.725 119.725 122.998 -3.273 25584 291 1 4 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.018 -0.613 25584 292 1 4 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.975 2.244 25584 293 1 4 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.142 -2.014 25584 294 1 4 . 1 1 27 27 PHE H H 27 8.092 8.092 9.103 -1.011 25584 295 1 4 . 1 1 28 28 LEU N N 28 120.070 120.070 130.560 -10.490 25584 296 1 4 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.063 -0.896 25584 297 1 4 . 1 1 28 28 LEU CA C 28 55.846 55.846 55.072 0.775 25584 298 1 4 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.806 -0.711 25584 299 1 4 . 1 1 28 28 LEU H H 28 7.896 7.896 8.760 -0.864 25584 300 1 4 . 1 1 29 29 LYS N N 29 119.870 119.870 130.291 -10.421 25584 301 1 4 . 1 1 29 29 LYS HA H 29 3.570 3.570 5.029 -1.459 25584 302 1 4 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.102 0.690 25584 303 1 4 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.995 -3.435 25584 304 1 4 . 1 1 29 29 LYS H H 29 7.823 7.823 9.338 -1.515 25584 305 1 4 . 1 1 30 30 TRP N N 30 120.769 120.769 128.280 -7.511 25584 306 1 4 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.591 -1.262 25584 307 1 4 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.076 4.122 25584 308 1 4 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.666 -2.880 25584 309 1 4 . 1 1 30 30 TRP H H 30 7.403 7.403 8.797 -1.394 25584 310 1 4 . 1 1 31 31 TRP N N 31 120.764 120.764 124.961 -4.197 25584 311 1 4 . 1 1 31 31 TRP HA H 31 4.226 4.226 3.936 0.290 25584 312 1 4 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.976 0.836 25584 313 1 4 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.193 -1.686 25584 314 1 4 . 1 1 31 31 TRP H H 31 7.348 7.348 8.450 -1.102 25584 315 1 4 . 1 1 32 32 ARG N N 32 120.786 120.786 122.706 -1.920 25584 316 1 4 . 1 1 32 32 ARG HA H 32 4.161 4.161 4.192 -0.031 25584 317 1 4 . 1 1 32 32 ARG CA C 32 56.262 56.262 57.380 -1.118 25584 318 1 4 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.020 0.527 25584 319 1 4 . 1 1 32 32 ARG H H 32 7.318 7.318 8.822 -1.504 25584 320 1 4 . 1 1 33 33 SER N N 33 115.787 115.787 116.499 -0.712 25584 321 1 4 . 1 1 33 33 SER HA H 33 4.329 4.329 4.470 -0.141 25584 322 1 4 . 1 1 33 33 SER CA C 33 58.741 58.741 58.682 0.059 25584 323 1 4 . 1 1 33 33 SER CB C 33 63.884 63.884 63.180 0.704 25584 324 1 4 . 1 1 33 33 SER H H 33 7.836 7.836 7.711 0.125 25584 325 1 4 . 1 1 34 34 GLU N N 34 122.289 122.289 119.828 2.461 25584 326 1 4 . 1 1 34 34 GLU HA H 34 4.196 4.196 4.010 0.186 25584 327 1 4 . 1 1 34 34 GLU CA C 34 57.565 57.565 55.859 1.706 25584 328 1 4 . 1 1 34 34 GLU H H 34 8.485 8.485 7.628 0.857 25584 329 1 4 . 1 1 35 35 GLU N N 35 120.374 120.374 118.584 1.790 25584 330 1 4 . 1 1 35 35 GLU HA H 35 4.203 4.203 3.795 0.408 25584 331 1 4 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.367 -0.449 25584 332 1 4 . 1 1 35 35 GLU CB C 35 29.995 29.995 29.077 0.918 25584 333 1 4 . 1 1 35 35 GLU H H 35 8.222 8.222 8.075 0.147 25584 334 1 4 . 1 1 36 36 ALA N N 36 123.937 123.937 124.030 -0.093 25584 335 1 4 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.461 -0.213 25584 336 1 4 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.634 1.146 25584 337 1 4 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.867 -0.725 25584 338 1 4 . 1 1 36 36 ALA H H 36 8.069 8.069 8.309 -0.240 25584 339 1 4 . 1 1 37 37 GLN N N 37 118.851 118.851 127.201 -8.350 25584 340 1 4 . 1 1 37 37 GLN HA H 37 4.259 4.259 5.057 -0.798 25584 341 1 4 . 1 1 37 37 GLN CA C 37 56.109 56.109 53.763 2.346 25584 342 1 4 . 1 1 37 37 GLN CB C 37 29.450 29.450 30.675 -1.225 25584 343 1 4 . 1 1 37 37 GLN H H 37 8.163 8.163 8.571 -0.408 25584 344 1 4 . 1 1 38 38 ASP N N 38 120.904 120.904 128.698 -7.794 25584 345 1 4 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.023 -0.444 25584 346 1 4 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.197 2.341 25584 347 1 4 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.252 -2.051 25584 348 1 4 . 1 1 38 38 ASP H H 38 8.255 8.255 9.187 -0.932 25584 349 1 4 . 1 1 39 39 MET N N 39 120.807 120.807 125.302 -4.495 25584 350 1 4 . 1 1 39 39 MET HA H 39 4.483 4.483 5.264 -0.781 25584 351 1 4 . 1 1 39 39 MET CA C 39 55.373 55.373 54.547 0.826 25584 352 1 4 . 1 1 39 39 MET CB C 39 33.009 33.009 34.059 -1.050 25584 353 1 4 . 1 1 39 39 MET H H 39 8.198 8.198 8.681 -0.483 25584 354 1 4 . 1 1 40 40 GLY N N 40 115.885 115.885 116.543 -0.658 25584 355 1 4 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.802 2.488 25584 356 1 4 . 1 1 40 40 GLY H H 40 8.034 8.034 9.352 -1.318 25584 357 1 5 . 1 1 22 22 ASP N N 22 122.413 122.413 117.788 4.625 25584 358 1 5 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.882 -0.211 25584 359 1 5 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.914 2.667 25584 360 1 5 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.319 -1.180 25584 361 1 5 . 1 1 23 23 THR N N 23 113.872 113.872 114.541 -0.669 25584 362 1 5 . 1 1 23 23 THR HA H 23 4.286 4.286 4.511 -0.225 25584 363 1 5 . 1 1 23 23 THR CA C 23 62.030 62.030 61.007 1.023 25584 364 1 5 . 1 1 23 23 THR CB C 23 69.681 69.681 68.231 1.450 25584 365 1 5 . 1 1 23 23 THR H H 23 8.114 8.114 8.097 0.017 25584 366 1 5 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.033 0.255 25584 367 1 5 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.304 0.080 25584 368 1 5 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.332 0.938 25584 369 1 5 . 1 1 25 25 ASP N N 25 121.295 121.295 126.352 -5.057 25584 370 1 5 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.648 -0.099 25584 371 1 5 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.213 -0.202 25584 372 1 5 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.564 -0.166 25584 373 1 5 . 1 1 25 25 ASP H H 25 8.269 8.269 8.973 -0.704 25584 374 1 5 . 1 1 26 26 ASP N N 26 120.922 120.922 122.515 -1.593 25584 375 1 5 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.600 -1.160 25584 376 1 5 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.074 4.296 25584 377 1 5 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.021 -3.029 25584 378 1 5 . 1 1 26 26 ASP H H 26 8.236 8.236 8.388 -0.152 25584 379 1 5 . 1 1 27 27 PHE N N 27 119.725 119.725 123.108 -3.383 25584 380 1 5 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.002 -0.597 25584 381 1 5 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.998 2.221 25584 382 1 5 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.149 -2.021 25584 383 1 5 . 1 1 27 27 PHE H H 27 8.092 8.092 9.224 -1.132 25584 384 1 5 . 1 1 28 28 LEU N N 28 120.070 120.070 130.855 -10.785 25584 385 1 5 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.025 -0.858 25584 386 1 5 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.399 1.447 25584 387 1 5 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.789 -0.695 25584 388 1 5 . 1 1 28 28 LEU H H 28 7.896 7.896 8.817 -0.921 25584 389 1 5 . 1 1 29 29 LYS N N 29 119.870 119.870 130.359 -10.489 25584 390 1 5 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.939 -1.369 25584 391 1 5 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.455 0.337 25584 392 1 5 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.689 -3.129 25584 393 1 5 . 1 1 29 29 LYS H H 29 7.823 7.823 9.333 -1.510 25584 394 1 5 . 1 1 30 30 TRP N N 30 120.769 120.769 127.922 -7.153 25584 395 1 5 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.655 -1.326 25584 396 1 5 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.108 4.090 25584 397 1 5 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.205 -3.418 25584 398 1 5 . 1 1 30 30 TRP H H 30 7.403 7.403 8.703 -1.300 25584 399 1 5 . 1 1 31 31 TRP N N 31 120.764 120.764 123.900 -3.136 25584 400 1 5 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.234 -0.008 25584 401 1 5 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.907 0.905 25584 402 1 5 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.576 -2.070 25584 403 1 5 . 1 1 31 31 TRP H H 31 7.348 7.348 8.310 -0.962 25584 404 1 5 . 1 1 32 32 ARG N N 32 120.786 120.786 119.166 1.620 25584 405 1 5 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.931 0.230 25584 406 1 5 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.242 -2.980 25584 407 1 5 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.170 0.378 25584 408 1 5 . 1 1 32 32 ARG H H 32 7.318 7.318 8.746 -1.428 25584 409 1 5 . 1 1 33 33 SER N N 33 115.787 115.787 116.053 -0.266 25584 410 1 5 . 1 1 33 33 SER HA H 33 4.329 4.329 4.351 -0.022 25584 411 1 5 . 1 1 33 33 SER CA C 33 58.741 58.741 58.657 0.084 25584 412 1 5 . 1 1 33 33 SER CB C 33 63.884 63.884 63.439 0.445 25584 413 1 5 . 1 1 33 33 SER H H 33 7.836 7.836 8.131 -0.295 25584 414 1 5 . 1 1 34 34 GLU N N 34 122.289 122.289 117.971 4.318 25584 415 1 5 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.933 0.263 25584 416 1 5 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.479 1.086 25584 417 1 5 . 1 1 34 34 GLU H H 34 8.485 8.485 7.678 0.807 25584 418 1 5 . 1 1 35 35 GLU N N 35 120.374 120.374 120.279 0.095 25584 419 1 5 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.244 -0.041 25584 420 1 5 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.447 -0.529 25584 421 1 5 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.545 -0.550 25584 422 1 5 . 1 1 35 35 GLU H H 35 8.222 8.222 8.084 0.138 25584 423 1 5 . 1 1 36 36 ALA N N 36 123.937 123.937 123.752 0.185 25584 424 1 5 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.357 -0.109 25584 425 1 5 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.544 0.236 25584 426 1 5 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.422 -0.280 25584 427 1 5 . 1 1 36 36 ALA H H 36 8.069 8.069 7.565 0.504 25584 428 1 5 . 1 1 37 37 GLN N N 37 118.851 118.851 125.347 -6.496 25584 429 1 5 . 1 1 37 37 GLN HA H 37 4.259 4.259 5.114 -0.855 25584 430 1 5 . 1 1 37 37 GLN CA C 37 56.109 56.109 53.814 2.295 25584 431 1 5 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.075 -2.625 25584 432 1 5 . 1 1 37 37 GLN H H 37 8.163 8.163 8.376 -0.213 25584 433 1 5 . 1 1 38 38 ASP N N 38 120.904 120.904 128.074 -7.170 25584 434 1 5 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.027 -0.448 25584 435 1 5 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.243 2.295 25584 436 1 5 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.311 -2.110 25584 437 1 5 . 1 1 38 38 ASP H H 38 8.255 8.255 9.164 -0.909 25584 438 1 5 . 1 1 39 39 MET N N 39 120.807 120.807 125.896 -5.089 25584 439 1 5 . 1 1 39 39 MET HA H 39 4.483 4.483 5.261 -0.778 25584 440 1 5 . 1 1 39 39 MET CA C 39 55.373 55.373 54.758 0.615 25584 441 1 5 . 1 1 39 39 MET CB C 39 33.009 33.009 33.498 -0.489 25584 442 1 5 . 1 1 39 39 MET H H 39 8.198 8.198 8.701 -0.503 25584 443 1 5 . 1 1 40 40 GLY N N 40 115.885 115.885 117.868 -1.983 25584 444 1 5 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.999 3.291 25584 445 1 5 . 1 1 40 40 GLY H H 40 8.034 8.034 9.440 -1.406 25584 446 1 6 . 1 1 22 22 ASP N N 22 122.413 122.413 116.577 5.836 25584 447 1 6 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.866 -0.195 25584 448 1 6 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.157 2.425 25584 449 1 6 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.342 -1.203 25584 450 1 6 . 1 1 23 23 THR N N 23 113.872 113.872 115.354 -1.482 25584 451 1 6 . 1 1 23 23 THR HA H 23 4.286 4.286 4.548 -0.262 25584 452 1 6 . 1 1 23 23 THR CA C 23 62.030 62.030 61.052 0.978 25584 453 1 6 . 1 1 23 23 THR CB C 23 69.681 69.681 67.621 2.060 25584 454 1 6 . 1 1 23 23 THR H H 23 8.114 8.114 8.218 -0.104 25584 455 1 6 . 1 1 24 24 GLN HA H 24 4.288 4.288 3.995 0.293 25584 456 1 6 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.146 0.238 25584 457 1 6 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.395 0.875 25584 458 1 6 . 1 1 25 25 ASP N N 25 121.295 121.295 126.342 -5.047 25584 459 1 6 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.671 -0.122 25584 460 1 6 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.255 -0.244 25584 461 1 6 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.600 -0.202 25584 462 1 6 . 1 1 25 25 ASP H H 25 8.269 8.269 9.122 -0.853 25584 463 1 6 . 1 1 26 26 ASP N N 26 120.922 120.922 121.978 -1.056 25584 464 1 6 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.675 -1.235 25584 465 1 6 . 1 1 26 26 ASP CA C 26 55.370 55.370 50.993 4.377 25584 466 1 6 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.345 -3.353 25584 467 1 6 . 1 1 26 26 ASP H H 26 8.236 8.236 8.443 -0.207 25584 468 1 6 . 1 1 27 27 PHE N N 27 119.725 119.725 123.036 -3.311 25584 469 1 6 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.104 -0.699 25584 470 1 6 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.914 2.305 25584 471 1 6 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.089 -1.961 25584 472 1 6 . 1 1 27 27 PHE H H 27 8.092 8.092 9.211 -1.119 25584 473 1 6 . 1 1 28 28 LEU N N 28 120.070 120.070 130.949 -10.879 25584 474 1 6 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.034 -0.867 25584 475 1 6 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.513 1.333 25584 476 1 6 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.870 -0.774 25584 477 1 6 . 1 1 28 28 LEU H H 28 7.896 7.896 8.922 -1.026 25584 478 1 6 . 1 1 29 29 LYS N N 29 119.870 119.870 130.214 -10.344 25584 479 1 6 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.924 -1.354 25584 480 1 6 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.448 0.344 25584 481 1 6 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.807 -3.247 25584 482 1 6 . 1 1 29 29 LYS H H 29 7.823 7.823 9.361 -1.538 25584 483 1 6 . 1 1 30 30 TRP N N 30 120.769 120.769 127.989 -7.220 25584 484 1 6 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.572 -1.242 25584 485 1 6 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.218 3.981 25584 486 1 6 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.835 -3.048 25584 487 1 6 . 1 1 30 30 TRP H H 30 7.403 7.403 8.672 -1.269 25584 488 1 6 . 1 1 31 31 TRP N N 31 120.764 120.764 125.331 -4.567 25584 489 1 6 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.291 -0.065 25584 490 1 6 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.937 0.875 25584 491 1 6 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.509 -2.002 25584 492 1 6 . 1 1 31 31 TRP H H 31 7.348 7.348 8.613 -1.265 25584 493 1 6 . 1 1 32 32 ARG N N 32 120.786 120.786 121.677 -0.891 25584 494 1 6 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.926 0.235 25584 495 1 6 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.343 -3.081 25584 496 1 6 . 1 1 32 32 ARG CB C 32 30.548 30.548 29.822 0.726 25584 497 1 6 . 1 1 32 32 ARG H H 32 7.318 7.318 8.893 -1.575 25584 498 1 6 . 1 1 33 33 SER N N 33 115.787 115.787 116.189 -0.402 25584 499 1 6 . 1 1 33 33 SER HA H 33 4.329 4.329 4.392 -0.063 25584 500 1 6 . 1 1 33 33 SER CA C 33 58.741 58.741 58.531 0.210 25584 501 1 6 . 1 1 33 33 SER CB C 33 63.884 63.884 63.721 0.163 25584 502 1 6 . 1 1 33 33 SER H H 33 7.836 7.836 8.028 -0.192 25584 503 1 6 . 1 1 34 34 GLU N N 34 122.289 122.289 117.398 4.891 25584 504 1 6 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.909 0.287 25584 505 1 6 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.436 1.129 25584 506 1 6 . 1 1 34 34 GLU H H 34 8.485 8.485 8.043 0.442 25584 507 1 6 . 1 1 35 35 GLU N N 35 120.374 120.374 121.309 -0.935 25584 508 1 6 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.345 -0.142 25584 509 1 6 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.648 -0.730 25584 510 1 6 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.814 -0.819 25584 511 1 6 . 1 1 35 35 GLU H H 35 8.222 8.222 7.942 0.280 25584 512 1 6 . 1 1 36 36 ALA N N 36 123.937 123.937 123.841 0.096 25584 513 1 6 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.524 -0.276 25584 514 1 6 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.876 0.904 25584 515 1 6 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.934 -0.792 25584 516 1 6 . 1 1 36 36 ALA H H 36 8.069 8.069 7.939 0.130 25584 517 1 6 . 1 1 37 37 GLN N N 37 118.851 118.851 126.424 -7.573 25584 518 1 6 . 1 1 37 37 GLN HA H 37 4.259 4.259 5.215 -0.956 25584 519 1 6 . 1 1 37 37 GLN CA C 37 56.109 56.109 53.693 2.416 25584 520 1 6 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.250 -2.800 25584 521 1 6 . 1 1 37 37 GLN H H 37 8.163 8.163 8.541 -0.378 25584 522 1 6 . 1 1 38 38 ASP N N 38 120.904 120.904 128.193 -7.289 25584 523 1 6 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.076 -0.497 25584 524 1 6 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.946 2.592 25584 525 1 6 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.387 -2.186 25584 526 1 6 . 1 1 38 38 ASP H H 38 8.255 8.255 9.323 -1.068 25584 527 1 6 . 1 1 39 39 MET N N 39 120.807 120.807 125.353 -4.546 25584 528 1 6 . 1 1 39 39 MET HA H 39 4.483 4.483 5.261 -0.778 25584 529 1 6 . 1 1 39 39 MET CA C 39 55.373 55.373 54.892 0.481 25584 530 1 6 . 1 1 39 39 MET CB C 39 33.009 33.009 33.737 -0.728 25584 531 1 6 . 1 1 39 39 MET H H 39 8.198 8.198 8.683 -0.485 25584 532 1 6 . 1 1 40 40 GLY N N 40 115.885 115.885 117.316 -1.431 25584 533 1 6 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.828 2.462 25584 534 1 6 . 1 1 40 40 GLY H H 40 8.034 8.034 9.329 -1.295 25584 535 1 7 . 1 1 22 22 ASP N N 22 122.413 122.413 117.388 5.025 25584 536 1 7 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.968 -0.297 25584 537 1 7 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.373 3.209 25584 538 1 7 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.887 -1.748 25584 539 1 7 . 1 1 23 23 THR N N 23 113.872 113.872 113.682 0.190 25584 540 1 7 . 1 1 23 23 THR HA H 23 4.286 4.286 4.451 -0.165 25584 541 1 7 . 1 1 23 23 THR CA C 23 62.030 62.030 61.173 0.857 25584 542 1 7 . 1 1 23 23 THR CB C 23 69.681 69.681 68.010 1.671 25584 543 1 7 . 1 1 23 23 THR H H 23 8.114 8.114 7.970 0.144 25584 544 1 7 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.183 0.105 25584 545 1 7 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.499 -0.116 25584 546 1 7 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.754 0.516 25584 547 1 7 . 1 1 25 25 ASP N N 25 121.295 121.295 124.410 -3.115 25584 548 1 7 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.608 -0.059 25584 549 1 7 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.226 -0.215 25584 550 1 7 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.113 0.285 25584 551 1 7 . 1 1 25 25 ASP H H 25 8.269 8.269 8.668 -0.399 25584 552 1 7 . 1 1 26 26 ASP N N 26 120.922 120.922 122.939 -2.017 25584 553 1 7 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.539 -1.099 25584 554 1 7 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.361 4.009 25584 555 1 7 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.115 -3.123 25584 556 1 7 . 1 1 26 26 ASP H H 26 8.236 8.236 8.345 -0.109 25584 557 1 7 . 1 1 27 27 PHE N N 27 119.725 119.725 124.469 -4.744 25584 558 1 7 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.050 -0.645 25584 559 1 7 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.751 2.468 25584 560 1 7 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.372 -2.244 25584 561 1 7 . 1 1 27 27 PHE H H 27 8.092 8.092 9.259 -1.167 25584 562 1 7 . 1 1 28 28 LEU N N 28 120.070 120.070 131.124 -11.054 25584 563 1 7 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.221 -1.054 25584 564 1 7 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.567 1.279 25584 565 1 7 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.442 -0.347 25584 566 1 7 . 1 1 28 28 LEU H H 28 7.896 7.896 8.967 -1.071 25584 567 1 7 . 1 1 29 29 LYS N N 29 119.870 119.870 130.220 -10.350 25584 568 1 7 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.897 -1.327 25584 569 1 7 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.138 0.654 25584 570 1 7 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.740 -3.180 25584 571 1 7 . 1 1 29 29 LYS H H 29 7.823 7.823 9.290 -1.467 25584 572 1 7 . 1 1 30 30 TRP N N 30 120.769 120.769 128.106 -7.337 25584 573 1 7 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.645 -1.316 25584 574 1 7 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.157 4.041 25584 575 1 7 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.734 -2.947 25584 576 1 7 . 1 1 30 30 TRP H H 30 7.403 7.403 8.691 -1.288 25584 577 1 7 . 1 1 31 31 TRP N N 31 120.764 120.764 125.260 -4.496 25584 578 1 7 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.279 -0.054 25584 579 1 7 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.760 1.052 25584 580 1 7 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.394 -1.887 25584 581 1 7 . 1 1 31 31 TRP H H 31 7.348 7.348 8.582 -1.234 25584 582 1 7 . 1 1 32 32 ARG N N 32 120.786 120.786 120.558 0.228 25584 583 1 7 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.903 0.258 25584 584 1 7 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.843 -2.581 25584 585 1 7 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.064 0.484 25584 586 1 7 . 1 1 32 32 ARG H H 32 7.318 7.318 8.821 -1.503 25584 587 1 7 . 1 1 33 33 SER N N 33 115.787 115.787 115.882 -0.095 25584 588 1 7 . 1 1 33 33 SER HA H 33 4.329 4.329 4.388 -0.059 25584 589 1 7 . 1 1 33 33 SER CA C 33 58.741 58.741 58.524 0.217 25584 590 1 7 . 1 1 33 33 SER CB C 33 63.884 63.884 63.570 0.314 25584 591 1 7 . 1 1 33 33 SER H H 33 7.836 7.836 8.008 -0.172 25584 592 1 7 . 1 1 34 34 GLU N N 34 122.289 122.289 117.482 4.807 25584 593 1 7 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.902 0.294 25584 594 1 7 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.496 1.069 25584 595 1 7 . 1 1 34 34 GLU H H 34 8.485 8.485 7.986 0.499 25584 596 1 7 . 1 1 35 35 GLU N N 35 120.374 120.374 121.529 -1.155 25584 597 1 7 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.277 -0.074 25584 598 1 7 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.959 -1.041 25584 599 1 7 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.503 -0.508 25584 600 1 7 . 1 1 35 35 GLU H H 35 8.222 8.222 8.090 0.132 25584 601 1 7 . 1 1 36 36 ALA N N 36 123.937 123.937 123.664 0.273 25584 602 1 7 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.584 -0.336 25584 603 1 7 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.982 0.798 25584 604 1 7 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.905 -0.763 25584 605 1 7 . 1 1 36 36 ALA H H 36 8.069 8.069 7.810 0.259 25584 606 1 7 . 1 1 37 37 GLN N N 37 118.851 118.851 126.197 -7.346 25584 607 1 7 . 1 1 37 37 GLN HA H 37 4.259 4.259 5.094 -0.835 25584 608 1 7 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.019 2.090 25584 609 1 7 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.721 -3.271 25584 610 1 7 . 1 1 37 37 GLN H H 37 8.163 8.163 8.527 -0.364 25584 611 1 7 . 1 1 38 38 ASP N N 38 120.904 120.904 128.632 -7.728 25584 612 1 7 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.075 -0.496 25584 613 1 7 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.252 2.286 25584 614 1 7 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.577 -2.376 25584 615 1 7 . 1 1 38 38 ASP H H 38 8.255 8.255 9.166 -0.911 25584 616 1 7 . 1 1 39 39 MET N N 39 120.807 120.807 125.425 -4.618 25584 617 1 7 . 1 1 39 39 MET HA H 39 4.483 4.483 5.127 -0.644 25584 618 1 7 . 1 1 39 39 MET CA C 39 55.373 55.373 54.790 0.583 25584 619 1 7 . 1 1 39 39 MET CB C 39 33.009 33.009 33.429 -0.420 25584 620 1 7 . 1 1 39 39 MET H H 39 8.198 8.198 8.697 -0.499 25584 621 1 7 . 1 1 40 40 GLY N N 40 115.885 115.885 118.441 -2.556 25584 622 1 7 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.966 3.324 25584 623 1 7 . 1 1 40 40 GLY H H 40 8.034 8.034 9.419 -1.385 25584 624 1 8 . 1 1 22 22 ASP N N 22 122.413 122.413 114.995 7.418 25584 625 1 8 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.869 -0.198 25584 626 1 8 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.007 2.575 25584 627 1 8 . 1 1 22 22 ASP CB C 22 41.139 41.139 43.751 -2.611 25584 628 1 8 . 1 1 23 23 THR N N 23 113.872 113.872 113.543 0.329 25584 629 1 8 . 1 1 23 23 THR HA H 23 4.286 4.286 4.479 -0.193 25584 630 1 8 . 1 1 23 23 THR CA C 23 62.030 62.030 60.586 1.444 25584 631 1 8 . 1 1 23 23 THR CB C 23 69.681 69.681 68.441 1.240 25584 632 1 8 . 1 1 23 23 THR H H 23 8.114 8.114 8.061 0.053 25584 633 1 8 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.029 0.259 25584 634 1 8 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.205 0.179 25584 635 1 8 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.297 0.974 25584 636 1 8 . 1 1 25 25 ASP N N 25 121.295 121.295 126.591 -5.296 25584 637 1 8 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.601 -0.052 25584 638 1 8 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.296 -0.285 25584 639 1 8 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.497 -0.099 25584 640 1 8 . 1 1 25 25 ASP H H 25 8.269 8.269 9.008 -0.739 25584 641 1 8 . 1 1 26 26 ASP N N 26 120.922 120.922 122.634 -1.712 25584 642 1 8 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.535 -1.095 25584 643 1 8 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.366 4.004 25584 644 1 8 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.377 -3.385 25584 645 1 8 . 1 1 26 26 ASP H H 26 8.236 8.236 8.392 -0.156 25584 646 1 8 . 1 1 27 27 PHE N N 27 119.725 119.725 124.045 -4.320 25584 647 1 8 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.053 -0.648 25584 648 1 8 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.815 2.404 25584 649 1 8 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.338 -2.210 25584 650 1 8 . 1 1 27 27 PHE H H 27 8.092 8.092 9.254 -1.162 25584 651 1 8 . 1 1 28 28 LEU N N 28 120.070 120.070 130.893 -10.823 25584 652 1 8 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.247 -1.080 25584 653 1 8 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.956 0.890 25584 654 1 8 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.605 -0.510 25584 655 1 8 . 1 1 28 28 LEU H H 28 7.896 7.896 8.952 -1.056 25584 656 1 8 . 1 1 29 29 LYS N N 29 119.870 119.870 130.474 -10.604 25584 657 1 8 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.988 -1.418 25584 658 1 8 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.285 0.507 25584 659 1 8 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.673 -3.113 25584 660 1 8 . 1 1 29 29 LYS H H 29 7.823 7.823 9.233 -1.410 25584 661 1 8 . 1 1 30 30 TRP N N 30 120.769 120.769 128.730 -7.961 25584 662 1 8 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.241 -0.912 25584 663 1 8 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.682 3.516 25584 664 1 8 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.518 -3.731 25584 665 1 8 . 1 1 30 30 TRP H H 30 7.403 7.403 8.778 -1.375 25584 666 1 8 . 1 1 31 31 TRP N N 31 120.764 120.764 125.593 -4.829 25584 667 1 8 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.168 0.058 25584 668 1 8 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.687 1.125 25584 669 1 8 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.616 -2.110 25584 670 1 8 . 1 1 31 31 TRP H H 31 7.348 7.348 8.452 -1.104 25584 671 1 8 . 1 1 32 32 ARG N N 32 120.786 120.786 118.454 2.332 25584 672 1 8 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.898 0.263 25584 673 1 8 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.670 -2.408 25584 674 1 8 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.293 0.255 25584 675 1 8 . 1 1 32 32 ARG H H 32 7.318 7.318 8.771 -1.453 25584 676 1 8 . 1 1 33 33 SER N N 33 115.787 115.787 116.292 -0.505 25584 677 1 8 . 1 1 33 33 SER HA H 33 4.329 4.329 4.298 0.031 25584 678 1 8 . 1 1 33 33 SER CA C 33 58.741 58.741 59.677 -0.936 25584 679 1 8 . 1 1 33 33 SER CB C 33 63.884 63.884 63.234 0.650 25584 680 1 8 . 1 1 33 33 SER H H 33 7.836 7.836 8.190 -0.354 25584 681 1 8 . 1 1 34 34 GLU N N 34 122.289 122.289 117.612 4.677 25584 682 1 8 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.896 0.300 25584 683 1 8 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.678 0.887 25584 684 1 8 . 1 1 34 34 GLU H H 34 8.485 8.485 7.776 0.709 25584 685 1 8 . 1 1 35 35 GLU N N 35 120.374 120.374 121.695 -1.321 25584 686 1 8 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.235 -0.032 25584 687 1 8 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.257 -1.339 25584 688 1 8 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.340 -0.345 25584 689 1 8 . 1 1 35 35 GLU H H 35 8.222 8.222 8.191 0.031 25584 690 1 8 . 1 1 36 36 ALA N N 36 123.937 123.937 122.815 1.122 25584 691 1 8 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.557 -0.309 25584 692 1 8 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.719 1.060 25584 693 1 8 . 1 1 36 36 ALA CB C 36 19.142 19.142 20.522 -1.380 25584 694 1 8 . 1 1 36 36 ALA H H 36 8.069 8.069 7.879 0.190 25584 695 1 8 . 1 1 37 37 GLN N N 37 118.851 118.851 123.740 -4.889 25584 696 1 8 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.664 -0.405 25584 697 1 8 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.536 1.573 25584 698 1 8 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.711 -2.261 25584 699 1 8 . 1 1 37 37 GLN H H 37 8.163 8.163 8.516 -0.353 25584 700 1 8 . 1 1 38 38 ASP N N 38 120.904 120.904 128.658 -7.754 25584 701 1 8 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.064 -0.485 25584 702 1 8 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.127 2.411 25584 703 1 8 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.608 -2.407 25584 704 1 8 . 1 1 38 38 ASP H H 38 8.255 8.255 9.219 -0.964 25584 705 1 8 . 1 1 39 39 MET N N 39 120.807 120.807 125.422 -4.615 25584 706 1 8 . 1 1 39 39 MET HA H 39 4.483 4.483 5.164 -0.681 25584 707 1 8 . 1 1 39 39 MET CA C 39 55.373 55.373 54.604 0.769 25584 708 1 8 . 1 1 39 39 MET CB C 39 33.009 33.009 33.478 -0.469 25584 709 1 8 . 1 1 39 39 MET H H 39 8.198 8.198 8.727 -0.529 25584 710 1 8 . 1 1 40 40 GLY N N 40 115.885 115.885 117.774 -1.889 25584 711 1 8 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.957 2.333 25584 712 1 8 . 1 1 40 40 GLY H H 40 8.034 8.034 9.440 -1.406 25584 713 1 9 . 1 1 22 22 ASP N N 22 122.413 122.413 116.775 5.638 25584 714 1 9 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.882 -0.211 25584 715 1 9 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.005 2.577 25584 716 1 9 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.625 -1.486 25584 717 1 9 . 1 1 23 23 THR N N 23 113.872 113.872 114.825 -0.953 25584 718 1 9 . 1 1 23 23 THR HA H 23 4.286 4.286 4.574 -0.288 25584 719 1 9 . 1 1 23 23 THR CA C 23 62.030 62.030 60.914 1.116 25584 720 1 9 . 1 1 23 23 THR CB C 23 69.681 69.681 67.936 1.745 25584 721 1 9 . 1 1 23 23 THR H H 23 8.114 8.114 8.097 0.017 25584 722 1 9 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.027 0.261 25584 723 1 9 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.328 0.056 25584 724 1 9 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.253 1.018 25584 725 1 9 . 1 1 25 25 ASP N N 25 121.295 121.295 125.734 -4.439 25584 726 1 9 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.635 -0.086 25584 727 1 9 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.254 -0.243 25584 728 1 9 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.479 -0.081 25584 729 1 9 . 1 1 25 25 ASP H H 25 8.269 8.269 9.295 -1.026 25584 730 1 9 . 1 1 26 26 ASP N N 26 120.922 120.922 122.684 -1.762 25584 731 1 9 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.599 -1.159 25584 732 1 9 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.023 4.347 25584 733 1 9 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.143 -3.151 25584 734 1 9 . 1 1 26 26 ASP H H 26 8.236 8.236 8.456 -0.220 25584 735 1 9 . 1 1 27 27 PHE N N 27 119.725 119.725 123.211 -3.486 25584 736 1 9 . 1 1 27 27 PHE HA H 27 4.405 4.405 4.990 -0.585 25584 737 1 9 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.816 2.403 25584 738 1 9 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.361 -2.233 25584 739 1 9 . 1 1 27 27 PHE H H 27 8.092 8.092 9.222 -1.130 25584 740 1 9 . 1 1 28 28 LEU N N 28 120.070 120.070 130.799 -10.729 25584 741 1 9 . 1 1 28 28 LEU HA H 28 4.167 4.167 4.963 -0.796 25584 742 1 9 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.743 1.103 25584 743 1 9 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.357 -0.262 25584 744 1 9 . 1 1 28 28 LEU H H 28 7.896 7.896 8.962 -1.066 25584 745 1 9 . 1 1 29 29 LYS N N 29 119.870 119.870 130.386 -10.516 25584 746 1 9 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.952 -1.382 25584 747 1 9 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.136 0.656 25584 748 1 9 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.535 -2.975 25584 749 1 9 . 1 1 29 29 LYS H H 29 7.823 7.823 9.385 -1.562 25584 750 1 9 . 1 1 30 30 TRP N N 30 120.769 120.769 128.370 -7.601 25584 751 1 9 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.453 -1.124 25584 752 1 9 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.188 4.010 25584 753 1 9 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.644 -2.857 25584 754 1 9 . 1 1 30 30 TRP H H 30 7.403 7.403 8.734 -1.331 25584 755 1 9 . 1 1 31 31 TRP N N 31 120.764 120.764 125.069 -4.305 25584 756 1 9 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.214 0.012 25584 757 1 9 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.947 0.865 25584 758 1 9 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.417 -1.910 25584 759 1 9 . 1 1 31 31 TRP H H 31 7.348 7.348 8.432 -1.084 25584 760 1 9 . 1 1 32 32 ARG N N 32 120.786 120.786 121.047 -0.261 25584 761 1 9 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.965 0.196 25584 762 1 9 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.163 -2.901 25584 763 1 9 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.018 0.530 25584 764 1 9 . 1 1 32 32 ARG H H 32 7.318 7.318 8.771 -1.453 25584 765 1 9 . 1 1 33 33 SER N N 33 115.787 115.787 115.401 0.386 25584 766 1 9 . 1 1 33 33 SER HA H 33 4.329 4.329 4.408 -0.079 25584 767 1 9 . 1 1 33 33 SER CA C 33 58.741 58.741 58.279 0.462 25584 768 1 9 . 1 1 33 33 SER CB C 33 63.884 63.884 63.630 0.254 25584 769 1 9 . 1 1 33 33 SER H H 33 7.836 7.836 7.835 0.001 25584 770 1 9 . 1 1 34 34 GLU N N 34 122.289 122.289 117.826 4.463 25584 771 1 9 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.881 0.315 25584 772 1 9 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.562 1.003 25584 773 1 9 . 1 1 34 34 GLU H H 34 8.485 8.485 7.906 0.579 25584 774 1 9 . 1 1 35 35 GLU N N 35 120.374 120.374 121.935 -1.561 25584 775 1 9 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.223 -0.020 25584 776 1 9 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.273 -1.355 25584 777 1 9 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.349 -0.354 25584 778 1 9 . 1 1 35 35 GLU H H 35 8.222 8.222 8.200 0.022 25584 779 1 9 . 1 1 36 36 ALA N N 36 123.937 123.937 122.707 1.230 25584 780 1 9 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.517 -0.269 25584 781 1 9 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.993 0.787 25584 782 1 9 . 1 1 36 36 ALA CB C 36 19.142 19.142 20.283 -1.141 25584 783 1 9 . 1 1 36 36 ALA H H 36 8.069 8.069 7.824 0.245 25584 784 1 9 . 1 1 37 37 GLN N N 37 118.851 118.851 123.695 -4.844 25584 785 1 9 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.852 -0.593 25584 786 1 9 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.583 1.526 25584 787 1 9 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.166 -2.716 25584 788 1 9 . 1 1 37 37 GLN H H 37 8.163 8.163 8.473 -0.310 25584 789 1 9 . 1 1 38 38 ASP N N 38 120.904 120.904 129.033 -8.129 25584 790 1 9 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.102 -0.523 25584 791 1 9 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.172 2.366 25584 792 1 9 . 1 1 38 38 ASP CB C 38 41.201 41.201 42.801 -1.600 25584 793 1 9 . 1 1 38 38 ASP H H 38 8.255 8.255 9.326 -1.071 25584 794 1 9 . 1 1 39 39 MET N N 39 120.807 120.807 126.024 -5.217 25584 795 1 9 . 1 1 39 39 MET HA H 39 4.483 4.483 5.347 -0.864 25584 796 1 9 . 1 1 39 39 MET CA C 39 55.373 55.373 54.561 0.812 25584 797 1 9 . 1 1 39 39 MET CB C 39 33.009 33.009 33.842 -0.833 25584 798 1 9 . 1 1 39 39 MET H H 39 8.198 8.198 8.728 -0.530 25584 799 1 9 . 1 1 40 40 GLY N N 40 115.885 115.885 117.686 -1.801 25584 800 1 9 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.635 2.655 25584 801 1 9 . 1 1 40 40 GLY H H 40 8.034 8.034 9.358 -1.324 25584 802 1 10 . 1 1 22 22 ASP N N 22 122.413 122.413 115.438 6.975 25584 803 1 10 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.850 -0.179 25584 804 1 10 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.053 2.529 25584 805 1 10 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.879 -1.740 25584 806 1 10 . 1 1 23 23 THR N N 23 113.872 113.872 114.468 -0.596 25584 807 1 10 . 1 1 23 23 THR HA H 23 4.286 4.286 4.574 -0.288 25584 808 1 10 . 1 1 23 23 THR CA C 23 62.030 62.030 61.121 0.909 25584 809 1 10 . 1 1 23 23 THR CB C 23 69.681 69.681 67.941 1.740 25584 810 1 10 . 1 1 23 23 THR H H 23 8.114 8.114 8.180 -0.066 25584 811 1 10 . 1 1 24 24 GLN HA H 24 4.288 4.288 3.999 0.289 25584 812 1 10 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.297 0.087 25584 813 1 10 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.329 0.941 25584 814 1 10 . 1 1 25 25 ASP N N 25 121.295 121.295 125.828 -4.533 25584 815 1 10 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.655 -0.106 25584 816 1 10 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.323 -0.312 25584 817 1 10 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.443 -0.045 25584 818 1 10 . 1 1 25 25 ASP H H 25 8.269 8.269 9.204 -0.935 25584 819 1 10 . 1 1 26 26 ASP N N 26 120.922 120.922 122.802 -1.880 25584 820 1 10 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.523 -1.083 25584 821 1 10 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.291 4.079 25584 822 1 10 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.447 -3.455 25584 823 1 10 . 1 1 26 26 ASP H H 26 8.236 8.236 8.339 -0.103 25584 824 1 10 . 1 1 27 27 PHE N N 27 119.725 119.725 123.443 -3.718 25584 825 1 10 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.034 -0.629 25584 826 1 10 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.914 2.305 25584 827 1 10 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.097 -1.969 25584 828 1 10 . 1 1 27 27 PHE H H 27 8.092 8.092 9.191 -1.099 25584 829 1 10 . 1 1 28 28 LEU N N 28 120.070 120.070 130.831 -10.761 25584 830 1 10 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.176 -1.009 25584 831 1 10 . 1 1 28 28 LEU CA C 28 55.846 55.846 55.036 0.810 25584 832 1 10 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.767 -0.671 25584 833 1 10 . 1 1 28 28 LEU H H 28 7.896 7.896 8.886 -0.990 25584 834 1 10 . 1 1 29 29 LYS N N 29 119.870 119.870 130.396 -10.526 25584 835 1 10 . 1 1 29 29 LYS HA H 29 3.570 3.570 5.019 -1.449 25584 836 1 10 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.141 0.651 25584 837 1 10 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.748 -3.188 25584 838 1 10 . 1 1 29 29 LYS H H 29 7.823 7.823 9.481 -1.658 25584 839 1 10 . 1 1 30 30 TRP N N 30 120.769 120.769 128.821 -8.052 25584 840 1 10 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.649 -1.320 25584 841 1 10 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.106 4.092 25584 842 1 10 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.627 -2.840 25584 843 1 10 . 1 1 30 30 TRP H H 30 7.403 7.403 8.815 -1.412 25584 844 1 10 . 1 1 31 31 TRP N N 31 120.764 120.764 126.023 -5.259 25584 845 1 10 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.199 0.027 25584 846 1 10 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.849 0.963 25584 847 1 10 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.183 -1.676 25584 848 1 10 . 1 1 31 31 TRP H H 31 7.348 7.348 8.376 -1.028 25584 849 1 10 . 1 1 32 32 ARG N N 32 120.786 120.786 121.229 -0.443 25584 850 1 10 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.861 0.300 25584 851 1 10 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.301 -3.039 25584 852 1 10 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.117 0.431 25584 853 1 10 . 1 1 32 32 ARG H H 32 7.318 7.318 8.896 -1.578 25584 854 1 10 . 1 1 33 33 SER N N 33 115.787 115.787 115.662 0.125 25584 855 1 10 . 1 1 33 33 SER HA H 33 4.329 4.329 4.279 0.050 25584 856 1 10 . 1 1 33 33 SER CA C 33 58.741 58.741 58.709 0.032 25584 857 1 10 . 1 1 33 33 SER CB C 33 63.884 63.884 63.505 0.379 25584 858 1 10 . 1 1 33 33 SER H H 33 7.836 7.836 7.971 -0.135 25584 859 1 10 . 1 1 34 34 GLU N N 34 122.289 122.289 117.443 4.846 25584 860 1 10 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.871 0.325 25584 861 1 10 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.415 1.150 25584 862 1 10 . 1 1 34 34 GLU H H 34 8.485 8.485 7.995 0.490 25584 863 1 10 . 1 1 35 35 GLU N N 35 120.374 120.374 121.850 -1.476 25584 864 1 10 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.218 -0.015 25584 865 1 10 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.324 -1.406 25584 866 1 10 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.505 -0.510 25584 867 1 10 . 1 1 35 35 GLU H H 35 8.222 8.222 8.174 0.048 25584 868 1 10 . 1 1 36 36 ALA N N 36 123.937 123.937 123.591 0.346 25584 869 1 10 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.354 -0.106 25584 870 1 10 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.172 0.608 25584 871 1 10 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.697 -0.555 25584 872 1 10 . 1 1 36 36 ALA H H 36 8.069 8.069 7.856 0.213 25584 873 1 10 . 1 1 37 37 GLN N N 37 118.851 118.851 125.043 -6.192 25584 874 1 10 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.940 -0.681 25584 875 1 10 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.121 1.988 25584 876 1 10 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.185 -1.735 25584 877 1 10 . 1 1 37 37 GLN H H 37 8.163 8.163 8.482 -0.319 25584 878 1 10 . 1 1 38 38 ASP N N 38 120.904 120.904 129.095 -8.191 25584 879 1 10 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.080 -0.501 25584 880 1 10 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.831 2.707 25584 881 1 10 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.131 -1.930 25584 882 1 10 . 1 1 38 38 ASP H H 38 8.255 8.255 9.371 -1.116 25584 883 1 10 . 1 1 39 39 MET N N 39 120.807 120.807 125.633 -4.826 25584 884 1 10 . 1 1 39 39 MET HA H 39 4.483 4.483 5.276 -0.793 25584 885 1 10 . 1 1 39 39 MET CA C 39 55.373 55.373 54.808 0.565 25584 886 1 10 . 1 1 39 39 MET CB C 39 33.009 33.009 33.717 -0.708 25584 887 1 10 . 1 1 39 39 MET H H 39 8.198 8.198 8.763 -0.565 25584 888 1 10 . 1 1 40 40 GLY N N 40 115.885 115.885 117.540 -1.655 25584 889 1 10 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.780 2.510 25584 890 1 10 . 1 1 40 40 GLY H H 40 8.034 8.034 9.440 -1.406 25584 891 1 11 . 1 1 22 22 ASP N N 22 122.413 122.413 117.923 4.490 25584 892 1 11 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.977 -0.306 25584 893 1 11 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.832 2.750 25584 894 1 11 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.532 -1.393 25584 895 1 11 . 1 1 23 23 THR N N 23 113.872 113.872 115.219 -1.347 25584 896 1 11 . 1 1 23 23 THR HA H 23 4.286 4.286 4.515 -0.229 25584 897 1 11 . 1 1 23 23 THR CA C 23 62.030 62.030 61.537 0.493 25584 898 1 11 . 1 1 23 23 THR CB C 23 69.681 69.681 68.264 1.417 25584 899 1 11 . 1 1 23 23 THR H H 23 8.114 8.114 8.148 -0.034 25584 900 1 11 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.143 0.145 25584 901 1 11 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.331 0.052 25584 902 1 11 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.570 0.700 25584 903 1 11 . 1 1 25 25 ASP N N 25 121.295 121.295 125.788 -4.493 25584 904 1 11 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.654 -0.105 25584 905 1 11 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.207 -0.196 25584 906 1 11 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.456 -0.058 25584 907 1 11 . 1 1 25 25 ASP H H 25 8.269 8.269 8.715 -0.446 25584 908 1 11 . 1 1 26 26 ASP N N 26 120.922 120.922 122.660 -1.738 25584 909 1 11 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.558 -1.117 25584 910 1 11 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.082 4.288 25584 911 1 11 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.050 -3.058 25584 912 1 11 . 1 1 26 26 ASP H H 26 8.236 8.236 8.364 -0.128 25584 913 1 11 . 1 1 27 27 PHE N N 27 119.725 119.725 123.728 -4.003 25584 914 1 11 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.095 -0.690 25584 915 1 11 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.701 2.518 25584 916 1 11 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.334 -2.206 25584 917 1 11 . 1 1 27 27 PHE H H 27 8.092 8.092 9.274 -1.182 25584 918 1 11 . 1 1 28 28 LEU N N 28 120.070 120.070 130.955 -10.885 25584 919 1 11 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.175 -1.008 25584 920 1 11 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.609 1.236 25584 921 1 11 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.481 -0.386 25584 922 1 11 . 1 1 28 28 LEU H H 28 7.896 7.896 8.926 -1.030 25584 923 1 11 . 1 1 29 29 LYS N N 29 119.870 119.870 130.458 -10.588 25584 924 1 11 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.910 -1.340 25584 925 1 11 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.351 0.441 25584 926 1 11 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.682 -3.122 25584 927 1 11 . 1 1 29 29 LYS H H 29 7.823 7.823 9.324 -1.501 25584 928 1 11 . 1 1 30 30 TRP N N 30 120.769 120.769 127.947 -7.178 25584 929 1 11 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.263 -0.934 25584 930 1 11 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.431 3.767 25584 931 1 11 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.364 -3.577 25584 932 1 11 . 1 1 30 30 TRP H H 30 7.403 7.403 8.783 -1.380 25584 933 1 11 . 1 1 31 31 TRP N N 31 120.764 120.764 126.656 -5.892 25584 934 1 11 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.241 -0.015 25584 935 1 11 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.688 1.124 25584 936 1 11 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.098 -1.591 25584 937 1 11 . 1 1 31 31 TRP H H 31 7.348 7.348 8.213 -0.865 25584 938 1 11 . 1 1 32 32 ARG N N 32 120.786 120.786 122.036 -1.250 25584 939 1 11 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.932 0.229 25584 940 1 11 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.871 -2.609 25584 941 1 11 . 1 1 32 32 ARG CB C 32 30.548 30.548 29.977 0.571 25584 942 1 11 . 1 1 32 32 ARG H H 32 7.318 7.318 8.525 -1.207 25584 943 1 11 . 1 1 33 33 SER N N 33 115.787 115.787 116.343 -0.556 25584 944 1 11 . 1 1 33 33 SER HA H 33 4.329 4.329 4.330 -0.001 25584 945 1 11 . 1 1 33 33 SER CA C 33 58.741 58.741 58.709 0.032 25584 946 1 11 . 1 1 33 33 SER CB C 33 63.884 63.884 63.546 0.338 25584 947 1 11 . 1 1 33 33 SER H H 33 7.836 7.836 8.016 -0.180 25584 948 1 11 . 1 1 34 34 GLU N N 34 122.289 122.289 117.247 5.042 25584 949 1 11 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.854 0.342 25584 950 1 11 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.490 1.075 25584 951 1 11 . 1 1 34 34 GLU H H 34 8.485 8.485 8.155 0.330 25584 952 1 11 . 1 1 35 35 GLU N N 35 120.374 120.374 121.863 -1.489 25584 953 1 11 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.288 -0.085 25584 954 1 11 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.786 -0.868 25584 955 1 11 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.607 -0.612 25584 956 1 11 . 1 1 35 35 GLU H H 35 8.222 8.222 8.084 0.138 25584 957 1 11 . 1 1 36 36 ALA N N 36 123.937 123.937 123.053 0.884 25584 958 1 11 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.400 -0.152 25584 959 1 11 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.525 0.255 25584 960 1 11 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.853 -0.711 25584 961 1 11 . 1 1 36 36 ALA H H 36 8.069 8.069 7.859 0.210 25584 962 1 11 . 1 1 37 37 GLN N N 37 118.851 118.851 123.767 -4.916 25584 963 1 11 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.689 -0.430 25584 964 1 11 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.522 1.587 25584 965 1 11 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.616 -2.166 25584 966 1 11 . 1 1 37 37 GLN H H 37 8.163 8.163 8.372 -0.209 25584 967 1 11 . 1 1 38 38 ASP N N 38 120.904 120.904 128.744 -7.840 25584 968 1 11 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.066 -0.487 25584 969 1 11 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.146 2.392 25584 970 1 11 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.485 -2.284 25584 971 1 11 . 1 1 38 38 ASP H H 38 8.255 8.255 9.288 -1.033 25584 972 1 11 . 1 1 39 39 MET N N 39 120.807 120.807 125.513 -4.706 25584 973 1 11 . 1 1 39 39 MET HA H 39 4.483 4.483 5.183 -0.700 25584 974 1 11 . 1 1 39 39 MET CA C 39 55.373 55.373 54.686 0.687 25584 975 1 11 . 1 1 39 39 MET CB C 39 33.009 33.009 33.514 -0.506 25584 976 1 11 . 1 1 39 39 MET H H 39 8.198 8.198 8.728 -0.530 25584 977 1 11 . 1 1 40 40 GLY N N 40 115.885 115.885 117.769 -1.884 25584 978 1 11 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.953 3.337 25584 979 1 11 . 1 1 40 40 GLY H H 40 8.034 8.034 9.439 -1.405 25584 980 1 12 . 1 1 22 22 ASP N N 22 122.413 122.413 113.974 8.439 25584 981 1 12 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.864 -0.193 25584 982 1 12 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.407 3.175 25584 983 1 12 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.578 -1.439 25584 984 1 12 . 1 1 23 23 THR N N 23 113.872 113.872 114.166 -0.294 25584 985 1 12 . 1 1 23 23 THR HA H 23 4.286 4.286 4.476 -0.190 25584 986 1 12 . 1 1 23 23 THR CA C 23 62.030 62.030 60.355 1.675 25584 987 1 12 . 1 1 23 23 THR CB C 23 69.681 69.681 68.919 0.762 25584 988 1 12 . 1 1 23 23 THR H H 23 8.114 8.114 8.232 -0.118 25584 989 1 12 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.138 0.150 25584 990 1 12 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.710 -0.326 25584 991 1 12 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.612 0.658 25584 992 1 12 . 1 1 25 25 ASP N N 25 121.295 121.295 125.497 -4.202 25584 993 1 12 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.570 -0.021 25584 994 1 12 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.408 -0.397 25584 995 1 12 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.131 0.267 25584 996 1 12 . 1 1 25 25 ASP H H 25 8.269 8.269 8.867 -0.598 25584 997 1 12 . 1 1 26 26 ASP N N 26 120.922 120.922 123.660 -2.738 25584 998 1 12 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.440 -1.000 25584 999 1 12 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.279 4.091 25584 1000 1 12 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.739 -2.747 25584 1001 1 12 . 1 1 26 26 ASP H H 26 8.236 8.236 8.389 -0.153 25584 1002 1 12 . 1 1 27 27 PHE N N 27 119.725 119.725 125.508 -5.783 25584 1003 1 12 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.085 -0.680 25584 1004 1 12 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.876 2.343 25584 1005 1 12 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.202 -2.074 25584 1006 1 12 . 1 1 27 27 PHE H H 27 8.092 8.092 9.351 -1.259 25584 1007 1 12 . 1 1 28 28 LEU N N 28 120.070 120.070 131.183 -11.113 25584 1008 1 12 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.310 -1.143 25584 1009 1 12 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.403 1.443 25584 1010 1 12 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.269 -0.174 25584 1011 1 12 . 1 1 28 28 LEU H H 28 7.896 7.896 9.193 -1.297 25584 1012 1 12 . 1 1 29 29 LYS N N 29 119.870 119.870 130.459 -10.589 25584 1013 1 12 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.705 -1.135 25584 1014 1 12 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.436 0.356 25584 1015 1 12 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.329 -2.769 25584 1016 1 12 . 1 1 29 29 LYS H H 29 7.823 7.823 8.919 -1.096 25584 1017 1 12 . 1 1 30 30 TRP N N 30 120.769 120.769 127.714 -6.945 25584 1018 1 12 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.249 -0.920 25584 1019 1 12 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.533 3.665 25584 1020 1 12 . 1 1 30 30 TRP CB C 30 28.787 28.787 33.038 -4.251 25584 1021 1 12 . 1 1 30 30 TRP H H 30 7.403 7.403 8.700 -1.297 25584 1022 1 12 . 1 1 31 31 TRP N N 31 120.764 120.764 125.299 -4.535 25584 1023 1 12 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.467 -0.241 25584 1024 1 12 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.568 1.244 25584 1025 1 12 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.648 -2.140 25584 1026 1 12 . 1 1 31 31 TRP H H 31 7.348 7.348 8.588 -1.240 25584 1027 1 12 . 1 1 32 32 ARG N N 32 120.786 120.786 119.511 1.275 25584 1028 1 12 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.987 0.174 25584 1029 1 12 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.801 -2.539 25584 1030 1 12 . 1 1 32 32 ARG CB C 32 30.548 30.548 29.955 0.593 25584 1031 1 12 . 1 1 32 32 ARG H H 32 7.318 7.318 8.757 -1.439 25584 1032 1 12 . 1 1 33 33 SER N N 33 115.787 115.787 115.729 0.058 25584 1033 1 12 . 1 1 33 33 SER HA H 33 4.329 4.329 4.427 -0.098 25584 1034 1 12 . 1 1 33 33 SER CA C 33 58.741 58.741 58.796 -0.055 25584 1035 1 12 . 1 1 33 33 SER CB C 33 63.884 63.884 63.535 0.349 25584 1036 1 12 . 1 1 33 33 SER H H 33 7.836 7.836 8.078 -0.242 25584 1037 1 12 . 1 1 34 34 GLU N N 34 122.289 122.289 119.334 2.955 25584 1038 1 12 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.895 0.301 25584 1039 1 12 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.697 0.868 25584 1040 1 12 . 1 1 34 34 GLU H H 34 8.485 8.485 8.152 0.333 25584 1041 1 12 . 1 1 35 35 GLU N N 35 120.374 120.374 121.654 -1.280 25584 1042 1 12 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.253 -0.050 25584 1043 1 12 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.638 -0.720 25584 1044 1 12 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.481 -0.486 25584 1045 1 12 . 1 1 35 35 GLU H H 35 8.222 8.222 8.037 0.185 25584 1046 1 12 . 1 1 36 36 ALA N N 36 123.937 123.937 122.880 1.057 25584 1047 1 12 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.426 -0.178 25584 1048 1 12 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.561 0.219 25584 1049 1 12 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.786 -0.644 25584 1050 1 12 . 1 1 36 36 ALA H H 36 8.069 8.069 7.942 0.127 25584 1051 1 12 . 1 1 37 37 GLN N N 37 118.851 118.851 125.117 -6.266 25584 1052 1 12 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.654 -0.395 25584 1053 1 12 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.704 1.405 25584 1054 1 12 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.344 -2.894 25584 1055 1 12 . 1 1 37 37 GLN H H 37 8.163 8.163 8.386 -0.223 25584 1056 1 12 . 1 1 38 38 ASP N N 38 120.904 120.904 128.267 -7.363 25584 1057 1 12 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.125 -0.546 25584 1058 1 12 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.117 2.421 25584 1059 1 12 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.677 -2.476 25584 1060 1 12 . 1 1 38 38 ASP H H 38 8.255 8.255 9.237 -0.982 25584 1061 1 12 . 1 1 39 39 MET N N 39 120.807 120.807 125.060 -4.253 25584 1062 1 12 . 1 1 39 39 MET HA H 39 4.483 4.483 4.992 -0.509 25584 1063 1 12 . 1 1 39 39 MET CA C 39 55.373 55.373 54.599 0.775 25584 1064 1 12 . 1 1 39 39 MET CB C 39 33.009 33.009 33.673 -0.664 25584 1065 1 12 . 1 1 39 39 MET H H 39 8.198 8.198 8.711 -0.513 25584 1066 1 12 . 1 1 40 40 GLY N N 40 115.885 115.885 117.826 -1.941 25584 1067 1 12 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.977 3.313 25584 1068 1 12 . 1 1 40 40 GLY H H 40 8.034 8.034 9.377 -1.343 25584 1069 1 13 . 1 1 22 22 ASP N N 22 122.413 122.413 115.384 7.029 25584 1070 1 13 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.862 -0.191 25584 1071 1 13 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.912 2.670 25584 1072 1 13 . 1 1 22 22 ASP CB C 22 41.139 41.139 43.542 -2.403 25584 1073 1 13 . 1 1 23 23 THR N N 23 113.872 113.872 113.768 0.104 25584 1074 1 13 . 1 1 23 23 THR HA H 23 4.286 4.286 4.490 -0.204 25584 1075 1 13 . 1 1 23 23 THR CA C 23 62.030 62.030 60.861 1.169 25584 1076 1 13 . 1 1 23 23 THR CB C 23 69.681 69.681 68.471 1.210 25584 1077 1 13 . 1 1 23 23 THR H H 23 8.114 8.114 8.175 -0.061 25584 1078 1 13 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.167 0.121 25584 1079 1 13 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.485 -0.101 25584 1080 1 13 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.453 0.817 25584 1081 1 13 . 1 1 25 25 ASP N N 25 121.295 121.295 125.745 -4.450 25584 1082 1 13 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.648 -0.099 25584 1083 1 13 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.208 -0.197 25584 1084 1 13 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.430 -0.032 25584 1085 1 13 . 1 1 25 25 ASP H H 25 8.269 8.269 8.593 -0.324 25584 1086 1 13 . 1 1 26 26 ASP N N 26 120.922 120.922 122.794 -1.872 25584 1087 1 13 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.608 -1.168 25584 1088 1 13 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.053 4.317 25584 1089 1 13 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.952 -2.960 25584 1090 1 13 . 1 1 26 26 ASP H H 26 8.236 8.236 8.405 -0.169 25584 1091 1 13 . 1 1 27 27 PHE N N 27 119.725 119.725 123.974 -4.249 25584 1092 1 13 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.171 -0.766 25584 1093 1 13 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.753 2.466 25584 1094 1 13 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.258 -2.130 25584 1095 1 13 . 1 1 27 27 PHE H H 27 8.092 8.092 9.259 -1.167 25584 1096 1 13 . 1 1 28 28 LEU N N 28 120.070 120.070 130.792 -10.722 25584 1097 1 13 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.272 -1.105 25584 1098 1 13 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.938 0.908 25584 1099 1 13 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.796 -0.701 25584 1100 1 13 . 1 1 28 28 LEU H H 28 7.896 7.896 8.945 -1.049 25584 1101 1 13 . 1 1 29 29 LYS N N 29 119.870 119.870 130.517 -10.647 25584 1102 1 13 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.956 -1.386 25584 1103 1 13 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.509 0.283 25584 1104 1 13 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.924 -3.364 25584 1105 1 13 . 1 1 29 29 LYS H H 29 7.823 7.823 9.240 -1.417 25584 1106 1 13 . 1 1 30 30 TRP N N 30 120.769 120.769 127.511 -6.742 25584 1107 1 13 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.412 -1.083 25584 1108 1 13 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.446 3.752 25584 1109 1 13 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.397 -3.610 25584 1110 1 13 . 1 1 30 30 TRP H H 30 7.403 7.403 8.748 -1.345 25584 1111 1 13 . 1 1 31 31 TRP N N 31 120.764 120.764 126.172 -5.408 25584 1112 1 13 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.377 -0.151 25584 1113 1 13 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.876 0.936 25584 1114 1 13 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.098 -1.591 25584 1115 1 13 . 1 1 31 31 TRP H H 31 7.348 7.348 8.396 -1.048 25584 1116 1 13 . 1 1 32 32 ARG N N 32 120.786 120.786 121.422 -0.636 25584 1117 1 13 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.974 0.187 25584 1118 1 13 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.350 -3.088 25584 1119 1 13 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.065 0.483 25584 1120 1 13 . 1 1 32 32 ARG H H 32 7.318 7.318 8.590 -1.272 25584 1121 1 13 . 1 1 33 33 SER N N 33 115.787 115.787 115.911 -0.124 25584 1122 1 13 . 1 1 33 33 SER HA H 33 4.329 4.329 4.384 -0.055 25584 1123 1 13 . 1 1 33 33 SER CA C 33 58.741 58.741 58.457 0.284 25584 1124 1 13 . 1 1 33 33 SER CB C 33 63.884 63.884 63.493 0.391 25584 1125 1 13 . 1 1 33 33 SER H H 33 7.836 7.836 8.055 -0.219 25584 1126 1 13 . 1 1 34 34 GLU N N 34 122.289 122.289 117.432 4.857 25584 1127 1 13 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.879 0.317 25584 1128 1 13 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.485 1.080 25584 1129 1 13 . 1 1 34 34 GLU H H 34 8.485 8.485 8.007 0.478 25584 1130 1 13 . 1 1 35 35 GLU N N 35 120.374 120.374 121.787 -1.413 25584 1131 1 13 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.244 -0.041 25584 1132 1 13 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.205 -1.287 25584 1133 1 13 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.485 -0.490 25584 1134 1 13 . 1 1 35 35 GLU H H 35 8.222 8.222 8.075 0.147 25584 1135 1 13 . 1 1 36 36 ALA N N 36 123.937 123.937 123.578 0.359 25584 1136 1 13 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.547 -0.299 25584 1137 1 13 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.898 0.881 25584 1138 1 13 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.887 -0.745 25584 1139 1 13 . 1 1 36 36 ALA H H 36 8.069 8.069 7.863 0.206 25584 1140 1 13 . 1 1 37 37 GLN N N 37 118.851 118.851 121.068 -2.217 25584 1141 1 13 . 1 1 37 37 GLN HA H 37 4.259 4.259 5.390 -1.131 25584 1142 1 13 . 1 1 37 37 GLN CA C 37 56.109 56.109 52.600 3.509 25584 1143 1 13 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.057 -2.607 25584 1144 1 13 . 1 1 37 37 GLN H H 37 8.163 8.163 8.246 -0.083 25584 1145 1 13 . 1 1 38 38 ASP N N 38 120.904 120.904 125.541 -4.637 25584 1146 1 13 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.030 -0.451 25584 1147 1 13 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.723 1.815 25584 1148 1 13 . 1 1 38 38 ASP CB C 38 41.201 41.201 44.001 -2.800 25584 1149 1 13 . 1 1 38 38 ASP H H 38 8.255 8.255 9.045 -0.790 25584 1150 1 13 . 1 1 39 39 MET N N 39 120.807 120.807 125.188 -4.381 25584 1151 1 13 . 1 1 39 39 MET HA H 39 4.483 4.483 5.246 -0.763 25584 1152 1 13 . 1 1 39 39 MET CA C 39 55.373 55.373 54.574 0.799 25584 1153 1 13 . 1 1 39 39 MET CB C 39 33.009 33.009 33.805 -0.796 25584 1154 1 13 . 1 1 39 39 MET H H 39 8.198 8.198 8.679 -0.481 25584 1155 1 13 . 1 1 40 40 GLY N N 40 115.885 115.885 117.761 -1.876 25584 1156 1 13 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.637 2.653 25584 1157 1 13 . 1 1 40 40 GLY H H 40 8.034 8.034 9.397 -1.363 25584 1158 1 14 . 1 1 22 22 ASP N N 22 122.413 122.413 115.919 6.494 25584 1159 1 14 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.838 -0.167 25584 1160 1 14 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.910 2.672 25584 1161 1 14 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.224 -1.085 25584 1162 1 14 . 1 1 23 23 THR N N 23 113.872 113.872 114.497 -0.625 25584 1163 1 14 . 1 1 23 23 THR HA H 23 4.286 4.286 4.519 -0.233 25584 1164 1 14 . 1 1 23 23 THR CA C 23 62.030 62.030 61.041 0.988 25584 1165 1 14 . 1 1 23 23 THR CB C 23 69.681 69.681 68.342 1.339 25584 1166 1 14 . 1 1 23 23 THR H H 23 8.114 8.114 8.142 -0.028 25584 1167 1 14 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.077 0.211 25584 1168 1 14 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.427 -0.043 25584 1169 1 14 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.558 0.712 25584 1170 1 14 . 1 1 25 25 ASP N N 25 121.295 121.295 125.769 -4.474 25584 1171 1 14 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.625 -0.076 25584 1172 1 14 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.349 -0.338 25584 1173 1 14 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.649 -0.251 25584 1174 1 14 . 1 1 25 25 ASP H H 25 8.269 8.269 8.940 -0.671 25584 1175 1 14 . 1 1 26 26 ASP N N 26 120.922 120.922 121.418 -0.496 25584 1176 1 14 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.507 -1.067 25584 1177 1 14 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.327 4.043 25584 1178 1 14 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.585 -3.593 25584 1179 1 14 . 1 1 26 26 ASP H H 26 8.236 8.236 8.463 -0.227 25584 1180 1 14 . 1 1 27 27 PHE N N 27 119.725 119.725 123.243 -3.518 25584 1181 1 14 . 1 1 27 27 PHE HA H 27 4.405 4.405 4.996 -0.591 25584 1182 1 14 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.993 2.226 25584 1183 1 14 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.066 -1.938 25584 1184 1 14 . 1 1 27 27 PHE H H 27 8.092 8.092 9.160 -1.068 25584 1185 1 14 . 1 1 28 28 LEU N N 28 120.070 120.070 131.106 -11.036 25584 1186 1 14 . 1 1 28 28 LEU HA H 28 4.167 4.167 4.956 -0.789 25584 1187 1 14 . 1 1 28 28 LEU CA C 28 55.846 55.846 55.211 0.635 25584 1188 1 14 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.452 -0.357 25584 1189 1 14 . 1 1 28 28 LEU H H 28 7.896 7.896 8.876 -0.980 25584 1190 1 14 . 1 1 29 29 LYS N N 29 119.870 119.870 130.685 -10.815 25584 1191 1 14 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.981 -1.411 25584 1192 1 14 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.561 0.231 25584 1193 1 14 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.781 -3.221 25584 1194 1 14 . 1 1 29 29 LYS H H 29 7.823 7.823 9.422 -1.599 25584 1195 1 14 . 1 1 30 30 TRP N N 30 120.769 120.769 128.234 -7.465 25584 1196 1 14 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.304 -0.975 25584 1197 1 14 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.529 3.670 25584 1198 1 14 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.242 -3.455 25584 1199 1 14 . 1 1 30 30 TRP H H 30 7.403 7.403 8.854 -1.451 25584 1200 1 14 . 1 1 31 31 TRP N N 31 120.764 120.764 127.170 -6.406 25584 1201 1 14 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.153 0.073 25584 1202 1 14 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.883 0.929 25584 1203 1 14 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.152 -1.645 25584 1204 1 14 . 1 1 31 31 TRP H H 31 7.348 7.348 8.259 -0.911 25584 1205 1 14 . 1 1 32 32 ARG N N 32 120.786 120.786 120.942 -0.156 25584 1206 1 14 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.926 0.235 25584 1207 1 14 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.988 -2.726 25584 1208 1 14 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.008 0.540 25584 1209 1 14 . 1 1 32 32 ARG H H 32 7.318 7.318 8.642 -1.324 25584 1210 1 14 . 1 1 33 33 SER N N 33 115.787 115.787 115.985 -0.198 25584 1211 1 14 . 1 1 33 33 SER HA H 33 4.329 4.329 4.389 -0.060 25584 1212 1 14 . 1 1 33 33 SER CA C 33 58.741 58.741 58.399 0.342 25584 1213 1 14 . 1 1 33 33 SER CB C 33 63.884 63.884 63.550 0.334 25584 1214 1 14 . 1 1 33 33 SER H H 33 7.836 7.836 7.979 -0.143 25584 1215 1 14 . 1 1 34 34 GLU N N 34 122.289 122.289 117.699 4.590 25584 1216 1 14 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.842 0.354 25584 1217 1 14 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.561 1.004 25584 1218 1 14 . 1 1 34 34 GLU H H 34 8.485 8.485 8.082 0.403 25584 1219 1 14 . 1 1 35 35 GLU N N 35 120.374 120.374 121.842 -1.468 25584 1220 1 14 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.265 -0.062 25584 1221 1 14 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.035 -1.117 25584 1222 1 14 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.534 -0.539 25584 1223 1 14 . 1 1 35 35 GLU H H 35 8.222 8.222 8.078 0.144 25584 1224 1 14 . 1 1 36 36 ALA N N 36 123.937 123.937 122.409 1.528 25584 1225 1 14 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.485 -0.237 25584 1226 1 14 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.232 0.548 25584 1227 1 14 . 1 1 36 36 ALA CB C 36 19.142 19.142 20.303 -1.161 25584 1228 1 14 . 1 1 36 36 ALA H H 36 8.069 8.069 8.047 0.022 25584 1229 1 14 . 1 1 37 37 GLN N N 37 118.851 118.851 122.727 -3.876 25584 1230 1 14 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.909 -0.650 25584 1231 1 14 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.950 1.159 25584 1232 1 14 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.010 -2.559 25584 1233 1 14 . 1 1 37 37 GLN H H 37 8.163 8.163 8.421 -0.258 25584 1234 1 14 . 1 1 38 38 ASP N N 38 120.904 120.904 129.484 -8.580 25584 1235 1 14 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.151 -0.572 25584 1236 1 14 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.948 2.590 25584 1237 1 14 . 1 1 38 38 ASP CB C 38 41.201 41.201 42.777 -1.576 25584 1238 1 14 . 1 1 38 38 ASP H H 38 8.255 8.255 9.513 -1.258 25584 1239 1 14 . 1 1 39 39 MET N N 39 120.807 120.807 125.916 -5.109 25584 1240 1 14 . 1 1 39 39 MET HA H 39 4.483 4.483 5.380 -0.897 25584 1241 1 14 . 1 1 39 39 MET CA C 39 55.373 55.373 54.792 0.581 25584 1242 1 14 . 1 1 39 39 MET CB C 39 33.009 33.009 33.668 -0.659 25584 1243 1 14 . 1 1 39 39 MET H H 39 8.198 8.198 8.780 -0.582 25584 1244 1 14 . 1 1 40 40 GLY N N 40 115.885 115.885 116.970 -1.085 25584 1245 1 14 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.824 2.466 25584 1246 1 14 . 1 1 40 40 GLY H H 40 8.034 8.034 9.345 -1.311 25584 1247 1 15 . 1 1 22 22 ASP N N 22 122.413 122.413 115.855 6.558 25584 1248 1 15 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.822 -0.151 25584 1249 1 15 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.290 2.292 25584 1250 1 15 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.003 -0.864 25584 1251 1 15 . 1 1 23 23 THR N N 23 113.872 113.872 114.158 -0.286 25584 1252 1 15 . 1 1 23 23 THR HA H 23 4.286 4.286 4.490 -0.204 25584 1253 1 15 . 1 1 23 23 THR CA C 23 62.030 62.030 60.883 1.147 25584 1254 1 15 . 1 1 23 23 THR CB C 23 69.681 69.681 67.751 1.930 25584 1255 1 15 . 1 1 23 23 THR H H 23 8.114 8.114 8.113 0.001 25584 1256 1 15 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.126 0.162 25584 1257 1 15 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.584 -0.200 25584 1258 1 15 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.948 0.322 25584 1259 1 15 . 1 1 25 25 ASP N N 25 121.295 121.295 125.836 -4.541 25584 1260 1 15 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.462 0.087 25584 1261 1 15 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.411 -0.400 25584 1262 1 15 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.039 0.359 25584 1263 1 15 . 1 1 25 25 ASP H H 25 8.269 8.269 8.790 -0.521 25584 1264 1 15 . 1 1 26 26 ASP N N 26 120.922 120.922 123.794 -2.872 25584 1265 1 15 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.489 -1.049 25584 1266 1 15 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.437 3.933 25584 1267 1 15 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.634 -2.642 25584 1268 1 15 . 1 1 26 26 ASP H H 26 8.236 8.236 8.259 -0.023 25584 1269 1 15 . 1 1 27 27 PHE N N 27 119.725 119.725 124.918 -5.193 25584 1270 1 15 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.157 -0.752 25584 1271 1 15 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.849 2.370 25584 1272 1 15 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.353 -2.225 25584 1273 1 15 . 1 1 27 27 PHE H H 27 8.092 8.092 9.317 -1.225 25584 1274 1 15 . 1 1 28 28 LEU N N 28 120.070 120.070 130.749 -10.679 25584 1275 1 15 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.287 -1.120 25584 1276 1 15 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.935 0.911 25584 1277 1 15 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.690 -0.595 25584 1278 1 15 . 1 1 28 28 LEU H H 28 7.896 7.896 9.170 -1.274 25584 1279 1 15 . 1 1 29 29 LYS N N 29 119.870 119.870 130.559 -10.689 25584 1280 1 15 . 1 1 29 29 LYS HA H 29 3.570 3.570 5.056 -1.486 25584 1281 1 15 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.337 0.455 25584 1282 1 15 . 1 1 29 29 LYS CB C 29 31.560 31.560 35.006 -3.446 25584 1283 1 15 . 1 1 29 29 LYS H H 29 7.823 7.823 9.203 -1.380 25584 1284 1 15 . 1 1 30 30 TRP N N 30 120.769 120.769 127.972 -7.203 25584 1285 1 15 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.408 -1.079 25584 1286 1 15 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.511 3.687 25584 1287 1 15 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.476 -3.689 25584 1288 1 15 . 1 1 30 30 TRP H H 30 7.403 7.403 8.755 -1.352 25584 1289 1 15 . 1 1 31 31 TRP N N 31 120.764 120.764 125.019 -4.255 25584 1290 1 15 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.376 -0.150 25584 1291 1 15 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.850 0.962 25584 1292 1 15 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.545 -2.038 25584 1293 1 15 . 1 1 31 31 TRP H H 31 7.348 7.348 8.532 -1.184 25584 1294 1 15 . 1 1 32 32 ARG N N 32 120.786 120.786 119.812 0.974 25584 1295 1 15 . 1 1 32 32 ARG HA H 32 4.161 4.161 4.017 0.144 25584 1296 1 15 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.049 -2.787 25584 1297 1 15 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.013 0.535 25584 1298 1 15 . 1 1 32 32 ARG H H 32 7.318 7.318 8.696 -1.378 25584 1299 1 15 . 1 1 33 33 SER N N 33 115.787 115.787 115.621 0.166 25584 1300 1 15 . 1 1 33 33 SER HA H 33 4.329 4.329 4.417 -0.088 25584 1301 1 15 . 1 1 33 33 SER CA C 33 58.741 58.741 58.305 0.436 25584 1302 1 15 . 1 1 33 33 SER CB C 33 63.884 63.884 63.820 0.064 25584 1303 1 15 . 1 1 33 33 SER H H 33 7.836 7.836 7.716 0.120 25584 1304 1 15 . 1 1 34 34 GLU N N 34 122.289 122.289 118.024 4.265 25584 1305 1 15 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.875 0.321 25584 1306 1 15 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.546 1.019 25584 1307 1 15 . 1 1 34 34 GLU H H 34 8.485 8.485 7.724 0.761 25584 1308 1 15 . 1 1 35 35 GLU N N 35 120.374 120.374 121.665 -1.291 25584 1309 1 15 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.152 0.051 25584 1310 1 15 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.457 -1.539 25584 1311 1 15 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.194 -0.199 25584 1312 1 15 . 1 1 35 35 GLU H H 35 8.222 8.222 8.213 0.009 25584 1313 1 15 . 1 1 36 36 ALA N N 36 123.937 123.937 123.041 0.896 25584 1314 1 15 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.384 -0.136 25584 1315 1 15 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.423 0.357 25584 1316 1 15 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.587 -0.445 25584 1317 1 15 . 1 1 36 36 ALA H H 36 8.069 8.069 7.544 0.525 25584 1318 1 15 . 1 1 37 37 GLN N N 37 118.851 118.851 125.006 -6.155 25584 1319 1 15 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.698 -0.439 25584 1320 1 15 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.681 1.428 25584 1321 1 15 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.792 -2.342 25584 1322 1 15 . 1 1 37 37 GLN H H 37 8.163 8.163 8.449 -0.286 25584 1323 1 15 . 1 1 38 38 ASP N N 38 120.904 120.904 130.031 -9.127 25584 1324 1 15 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.091 -0.512 25584 1325 1 15 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.941 2.597 25584 1326 1 15 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.102 -1.901 25584 1327 1 15 . 1 1 38 38 ASP H H 38 8.255 8.255 9.355 -1.100 25584 1328 1 15 . 1 1 39 39 MET N N 39 120.807 120.807 125.411 -4.604 25584 1329 1 15 . 1 1 39 39 MET HA H 39 4.483 4.483 5.115 -0.632 25584 1330 1 15 . 1 1 39 39 MET CA C 39 55.373 55.373 54.649 0.724 25584 1331 1 15 . 1 1 39 39 MET CB C 39 33.009 33.009 33.368 -0.359 25584 1332 1 15 . 1 1 39 39 MET H H 39 8.198 8.198 8.744 -0.546 25584 1333 1 15 . 1 1 40 40 GLY N N 40 115.885 115.885 117.858 -1.973 25584 1334 1 15 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.093 3.196 25584 1335 1 15 . 1 1 40 40 GLY H H 40 8.034 8.034 9.449 -1.415 25584 1336 1 16 . 1 1 22 22 ASP N N 22 122.413 122.413 116.757 5.656 25584 1337 1 16 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.805 -0.134 25584 1338 1 16 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.099 2.483 25584 1339 1 16 . 1 1 22 22 ASP CB C 22 41.139 41.139 41.750 -0.611 25584 1340 1 16 . 1 1 23 23 THR N N 23 113.872 113.872 114.461 -0.589 25584 1341 1 16 . 1 1 23 23 THR HA H 23 4.286 4.286 4.457 -0.171 25584 1342 1 16 . 1 1 23 23 THR CA C 23 62.030 62.030 61.142 0.888 25584 1343 1 16 . 1 1 23 23 THR CB C 23 69.681 69.681 67.703 1.978 25584 1344 1 16 . 1 1 23 23 THR H H 23 8.114 8.114 8.172 -0.058 25584 1345 1 16 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.111 0.177 25584 1346 1 16 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.657 -0.273 25584 1347 1 16 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.763 0.507 25584 1348 1 16 . 1 1 25 25 ASP N N 25 121.295 121.295 125.450 -4.155 25584 1349 1 16 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.579 -0.030 25584 1350 1 16 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.330 -0.319 25584 1351 1 16 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.076 0.322 25584 1352 1 16 . 1 1 25 25 ASP H H 25 8.269 8.269 8.367 -0.098 25584 1353 1 16 . 1 1 26 26 ASP N N 26 120.922 120.922 123.548 -2.626 25584 1354 1 16 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.364 -0.924 25584 1355 1 16 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.045 4.325 25584 1356 1 16 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.749 -2.757 25584 1357 1 16 . 1 1 26 26 ASP H H 26 8.236 8.236 8.383 -0.147 25584 1358 1 16 . 1 1 27 27 PHE N N 27 119.725 119.725 124.927 -5.202 25584 1359 1 16 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.011 -0.606 25584 1360 1 16 . 1 1 27 27 PHE CA C 27 59.219 59.219 57.000 2.219 25584 1361 1 16 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.019 -1.891 25584 1362 1 16 . 1 1 27 27 PHE H H 27 8.092 8.092 9.309 -1.217 25584 1363 1 16 . 1 1 28 28 LEU N N 28 120.070 120.070 131.201 -11.131 25584 1364 1 16 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.125 -0.958 25584 1365 1 16 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.523 1.323 25584 1366 1 16 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.650 -0.555 25584 1367 1 16 . 1 1 28 28 LEU H H 28 7.896 7.896 9.134 -1.238 25584 1368 1 16 . 1 1 29 29 LYS N N 29 119.870 119.870 130.684 -10.814 25584 1369 1 16 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.897 -1.327 25584 1370 1 16 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.516 0.276 25584 1371 1 16 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.624 -3.064 25584 1372 1 16 . 1 1 29 29 LYS H H 29 7.823 7.823 9.413 -1.590 25584 1373 1 16 . 1 1 30 30 TRP N N 30 120.769 120.769 128.186 -7.417 25584 1374 1 16 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.371 -1.042 25584 1375 1 16 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.578 3.620 25584 1376 1 16 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.738 -3.951 25584 1377 1 16 . 1 1 30 30 TRP H H 30 7.403 7.403 8.795 -1.392 25584 1378 1 16 . 1 1 31 31 TRP N N 31 120.764 120.764 124.090 -3.326 25584 1379 1 16 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.434 -0.208 25584 1380 1 16 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.711 1.101 25584 1381 1 16 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.793 -2.286 25584 1382 1 16 . 1 1 31 31 TRP H H 31 7.348 7.348 8.527 -1.179 25584 1383 1 16 . 1 1 32 32 ARG N N 32 120.786 120.786 121.035 -0.249 25584 1384 1 16 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.938 0.223 25584 1385 1 16 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.235 -2.973 25584 1386 1 16 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.044 0.503 25584 1387 1 16 . 1 1 32 32 ARG H H 32 7.318 7.318 8.823 -1.505 25584 1388 1 16 . 1 1 33 33 SER N N 33 115.787 115.787 115.571 0.216 25584 1389 1 16 . 1 1 33 33 SER HA H 33 4.329 4.329 4.362 -0.033 25584 1390 1 16 . 1 1 33 33 SER CA C 33 58.741 58.741 59.006 -0.265 25584 1391 1 16 . 1 1 33 33 SER CB C 33 63.884 63.884 63.389 0.495 25584 1392 1 16 . 1 1 33 33 SER H H 33 7.836 7.836 8.321 -0.485 25584 1393 1 16 . 1 1 34 34 GLU N N 34 122.289 122.289 118.877 3.412 25584 1394 1 16 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.913 0.283 25584 1395 1 16 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.571 0.994 25584 1396 1 16 . 1 1 34 34 GLU H H 34 8.485 8.485 7.972 0.513 25584 1397 1 16 . 1 1 35 35 GLU N N 35 120.374 120.374 122.034 -1.660 25584 1398 1 16 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.176 0.027 25584 1399 1 16 . 1 1 35 35 GLU CA C 35 56.918 56.918 58.381 -1.463 25584 1400 1 16 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.270 -0.275 25584 1401 1 16 . 1 1 35 35 GLU H H 35 8.222 8.222 8.250 -0.028 25584 1402 1 16 . 1 1 36 36 ALA N N 36 123.937 123.937 122.266 1.671 25584 1403 1 16 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.454 -0.206 25584 1404 1 16 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.097 0.683 25584 1405 1 16 . 1 1 36 36 ALA CB C 36 19.142 19.142 20.235 -1.093 25584 1406 1 16 . 1 1 36 36 ALA H H 36 8.069 8.069 7.827 0.242 25584 1407 1 16 . 1 1 37 37 GLN N N 37 118.851 118.851 124.047 -5.196 25584 1408 1 16 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.638 -0.379 25584 1409 1 16 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.566 1.543 25584 1410 1 16 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.513 -2.063 25584 1411 1 16 . 1 1 37 37 GLN H H 37 8.163 8.163 8.455 -0.292 25584 1412 1 16 . 1 1 38 38 ASP N N 38 120.904 120.904 128.687 -7.783 25584 1413 1 16 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.147 -0.568 25584 1414 1 16 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.995 2.543 25584 1415 1 16 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.532 -2.331 25584 1416 1 16 . 1 1 38 38 ASP H H 38 8.255 8.255 9.371 -1.116 25584 1417 1 16 . 1 1 39 39 MET N N 39 120.807 120.807 124.965 -4.158 25584 1418 1 16 . 1 1 39 39 MET HA H 39 4.483 4.483 5.280 -0.797 25584 1419 1 16 . 1 1 39 39 MET CA C 39 55.373 55.373 54.377 0.996 25584 1420 1 16 . 1 1 39 39 MET CB C 39 33.009 33.009 33.932 -0.923 25584 1421 1 16 . 1 1 39 39 MET H H 39 8.198 8.198 8.727 -0.529 25584 1422 1 16 . 1 1 40 40 GLY N N 40 115.885 115.885 118.143 -2.258 25584 1423 1 16 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.943 2.347 25584 1424 1 16 . 1 1 40 40 GLY H H 40 8.034 8.034 9.436 -1.402 25584 1425 1 17 . 1 1 22 22 ASP N N 22 122.413 122.413 115.103 7.310 25584 1426 1 17 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.871 -0.200 25584 1427 1 17 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.044 2.538 25584 1428 1 17 . 1 1 22 22 ASP CB C 22 41.139 41.139 43.651 -2.512 25584 1429 1 17 . 1 1 23 23 THR N N 23 113.872 113.872 113.879 -0.007 25584 1430 1 17 . 1 1 23 23 THR HA H 23 4.286 4.286 4.505 -0.219 25584 1431 1 17 . 1 1 23 23 THR CA C 23 62.030 62.030 60.406 1.624 25584 1432 1 17 . 1 1 23 23 THR CB C 23 69.681 69.681 68.733 0.948 25584 1433 1 17 . 1 1 23 23 THR H H 23 8.114 8.114 8.120 -0.006 25584 1434 1 17 . 1 1 24 24 GLN HA H 24 4.288 4.288 3.975 0.313 25584 1435 1 17 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.220 0.164 25584 1436 1 17 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.175 1.095 25584 1437 1 17 . 1 1 25 25 ASP N N 25 121.295 121.295 125.686 -4.391 25584 1438 1 17 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.660 -0.111 25584 1439 1 17 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.264 -0.253 25584 1440 1 17 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.425 -0.027 25584 1441 1 17 . 1 1 25 25 ASP H H 25 8.269 8.269 9.262 -0.993 25584 1442 1 17 . 1 1 26 26 ASP N N 26 120.922 120.922 123.010 -2.088 25584 1443 1 17 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.588 -1.148 25584 1444 1 17 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.091 4.279 25584 1445 1 17 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.063 -3.071 25584 1446 1 17 . 1 1 26 26 ASP H H 26 8.236 8.236 8.348 -0.112 25584 1447 1 17 . 1 1 27 27 PHE N N 27 119.725 119.725 123.419 -3.694 25584 1448 1 17 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.046 -0.641 25584 1449 1 17 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.894 2.325 25584 1450 1 17 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.242 -2.114 25584 1451 1 17 . 1 1 27 27 PHE H H 27 8.092 8.092 9.253 -1.161 25584 1452 1 17 . 1 1 28 28 LEU N N 28 120.070 120.070 130.761 -10.691 25584 1453 1 17 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.277 -1.110 25584 1454 1 17 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.276 1.570 25584 1455 1 17 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.911 -0.816 25584 1456 1 17 . 1 1 28 28 LEU H H 28 7.896 7.896 8.883 -0.987 25584 1457 1 17 . 1 1 29 29 LYS N N 29 119.870 119.870 130.351 -10.481 25584 1458 1 17 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.931 -1.361 25584 1459 1 17 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.659 0.133 25584 1460 1 17 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.940 -3.380 25584 1461 1 17 . 1 1 29 29 LYS H H 29 7.823 7.823 9.204 -1.381 25584 1462 1 17 . 1 1 30 30 TRP N N 30 120.769 120.769 127.387 -6.618 25584 1463 1 17 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.535 -1.206 25584 1464 1 17 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.703 3.495 25584 1465 1 17 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.735 -3.948 25584 1466 1 17 . 1 1 30 30 TRP H H 30 7.403 7.403 8.692 -1.289 25584 1467 1 17 . 1 1 31 31 TRP N N 31 120.764 120.764 124.525 -3.761 25584 1468 1 17 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.459 -0.233 25584 1469 1 17 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.710 1.102 25584 1470 1 17 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.677 -2.170 25584 1471 1 17 . 1 1 31 31 TRP H H 31 7.348 7.348 8.501 -1.153 25584 1472 1 17 . 1 1 32 32 ARG N N 32 120.786 120.786 119.934 0.852 25584 1473 1 17 . 1 1 32 32 ARG HA H 32 4.161 4.161 4.004 0.157 25584 1474 1 17 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.053 -2.791 25584 1475 1 17 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.137 0.411 25584 1476 1 17 . 1 1 32 32 ARG H H 32 7.318 7.318 8.797 -1.479 25584 1477 1 17 . 1 1 33 33 SER N N 33 115.787 115.787 116.937 -1.150 25584 1478 1 17 . 1 1 33 33 SER HA H 33 4.329 4.329 4.282 0.047 25584 1479 1 17 . 1 1 33 33 SER CA C 33 58.741 58.741 59.771 -1.030 25584 1480 1 17 . 1 1 33 33 SER CB C 33 63.884 63.884 63.145 0.739 25584 1481 1 17 . 1 1 33 33 SER H H 33 7.836 7.836 8.129 -0.293 25584 1482 1 17 . 1 1 34 34 GLU N N 34 122.289 122.289 117.246 5.043 25584 1483 1 17 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.925 0.271 25584 1484 1 17 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.664 0.901 25584 1485 1 17 . 1 1 34 34 GLU H H 34 8.485 8.485 7.889 0.596 25584 1486 1 17 . 1 1 35 35 GLU N N 35 120.374 120.374 120.904 -0.530 25584 1487 1 17 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.391 -0.188 25584 1488 1 17 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.199 -0.281 25584 1489 1 17 . 1 1 35 35 GLU CB C 35 29.995 29.995 31.107 -1.112 25584 1490 1 17 . 1 1 35 35 GLU H H 35 8.222 8.222 7.805 0.417 25584 1491 1 17 . 1 1 36 36 ALA N N 36 123.937 123.937 124.166 -0.229 25584 1492 1 17 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.369 -0.121 25584 1493 1 17 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.713 0.067 25584 1494 1 17 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.420 -0.278 25584 1495 1 17 . 1 1 36 36 ALA H H 36 8.069 8.069 7.599 0.470 25584 1496 1 17 . 1 1 37 37 GLN N N 37 118.851 118.851 125.312 -6.461 25584 1497 1 17 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.923 -0.664 25584 1498 1 17 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.434 1.675 25584 1499 1 17 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.428 -2.978 25584 1500 1 17 . 1 1 37 37 GLN H H 37 8.163 8.163 8.409 -0.246 25584 1501 1 17 . 1 1 38 38 ASP N N 38 120.904 120.904 128.497 -7.593 25584 1502 1 17 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.133 -0.554 25584 1503 1 17 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.105 2.433 25584 1504 1 17 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.658 -2.457 25584 1505 1 17 . 1 1 38 38 ASP H H 38 8.255 8.255 9.367 -1.112 25584 1506 1 17 . 1 1 39 39 MET N N 39 120.807 120.807 124.238 -3.431 25584 1507 1 17 . 1 1 39 39 MET HA H 39 4.483 4.483 5.306 -0.823 25584 1508 1 17 . 1 1 39 39 MET CA C 39 55.373 55.373 54.453 0.920 25584 1509 1 17 . 1 1 39 39 MET CB C 39 33.009 33.009 34.190 -1.181 25584 1510 1 17 . 1 1 39 39 MET H H 39 8.198 8.198 8.660 -0.462 25584 1511 1 17 . 1 1 40 40 GLY N N 40 115.885 115.885 117.739 -1.854 25584 1512 1 17 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.837 2.453 25584 1513 1 17 . 1 1 40 40 GLY H H 40 8.034 8.034 9.364 -1.330 25584 1514 1 18 . 1 1 22 22 ASP N N 22 122.413 122.413 118.277 4.136 25584 1515 1 18 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.954 -0.283 25584 1516 1 18 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.752 2.830 25584 1517 1 18 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.803 -1.664 25584 1518 1 18 . 1 1 23 23 THR N N 23 113.872 113.872 115.191 -1.319 25584 1519 1 18 . 1 1 23 23 THR HA H 23 4.286 4.286 4.520 -0.234 25584 1520 1 18 . 1 1 23 23 THR CA C 23 62.030 62.030 61.402 0.628 25584 1521 1 18 . 1 1 23 23 THR CB C 23 69.681 69.681 67.868 1.813 25584 1522 1 18 . 1 1 23 23 THR H H 23 8.114 8.114 8.114 0.000 25584 1523 1 18 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.141 0.147 25584 1524 1 18 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.461 -0.077 25584 1525 1 18 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.867 0.403 25584 1526 1 18 . 1 1 25 25 ASP N N 25 121.295 121.295 125.078 -3.783 25584 1527 1 18 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.622 -0.073 25584 1528 1 18 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.217 -0.206 25584 1529 1 18 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.188 0.210 25584 1530 1 18 . 1 1 25 25 ASP H H 25 8.269 8.269 8.694 -0.425 25584 1531 1 18 . 1 1 26 26 ASP N N 26 120.922 120.922 122.683 -1.761 25584 1532 1 18 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.575 -1.135 25584 1533 1 18 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.177 4.193 25584 1534 1 18 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.828 -2.836 25584 1535 1 18 . 1 1 26 26 ASP H H 26 8.236 8.236 8.355 -0.119 25584 1536 1 18 . 1 1 27 27 PHE N N 27 119.725 119.725 124.195 -4.470 25584 1537 1 18 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.030 -0.625 25584 1538 1 18 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.883 2.336 25584 1539 1 18 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.138 -2.010 25584 1540 1 18 . 1 1 27 27 PHE H H 27 8.092 8.092 9.282 -1.190 25584 1541 1 18 . 1 1 28 28 LEU N N 28 120.070 120.070 131.109 -11.039 25584 1542 1 18 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.038 -0.871 25584 1543 1 18 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.524 1.322 25584 1544 1 18 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.700 -0.605 25584 1545 1 18 . 1 1 28 28 LEU H H 28 7.896 7.896 8.967 -1.071 25584 1546 1 18 . 1 1 29 29 LYS N N 29 119.870 119.870 130.447 -10.577 25584 1547 1 18 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.908 -1.338 25584 1548 1 18 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.456 0.336 25584 1549 1 18 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.525 -2.965 25584 1550 1 18 . 1 1 29 29 LYS H H 29 7.823 7.823 9.256 -1.433 25584 1551 1 18 . 1 1 30 30 TRP N N 30 120.769 120.769 128.563 -7.794 25584 1552 1 18 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.585 -1.256 25584 1553 1 18 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.376 3.822 25584 1554 1 18 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.722 -3.935 25584 1555 1 18 . 1 1 30 30 TRP H H 30 7.403 7.403 8.799 -1.396 25584 1556 1 18 . 1 1 31 31 TRP N N 31 120.764 120.764 125.539 -4.775 25584 1557 1 18 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.102 0.124 25584 1558 1 18 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.887 0.925 25584 1559 1 18 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.078 -1.571 25584 1560 1 18 . 1 1 31 31 TRP H H 31 7.348 7.348 8.550 -1.202 25584 1561 1 18 . 1 1 32 32 ARG N N 32 120.786 120.786 122.277 -1.491 25584 1562 1 18 . 1 1 32 32 ARG HA H 32 4.161 4.161 4.177 -0.016 25584 1563 1 18 . 1 1 32 32 ARG CA C 32 56.262 56.262 57.276 -1.014 25584 1564 1 18 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.099 0.449 25584 1565 1 18 . 1 1 32 32 ARG H H 32 7.318 7.318 8.600 -1.282 25584 1566 1 18 . 1 1 33 33 SER N N 33 115.787 115.787 115.824 -0.037 25584 1567 1 18 . 1 1 33 33 SER HA H 33 4.329 4.329 4.454 -0.125 25584 1568 1 18 . 1 1 33 33 SER CA C 33 58.741 58.741 58.175 0.567 25584 1569 1 18 . 1 1 33 33 SER CB C 33 63.884 63.884 63.198 0.686 25584 1570 1 18 . 1 1 33 33 SER H H 33 7.836 7.836 7.651 0.185 25584 1571 1 18 . 1 1 34 34 GLU N N 34 122.289 122.289 118.702 3.587 25584 1572 1 18 . 1 1 34 34 GLU HA H 34 4.196 4.196 4.028 0.168 25584 1573 1 18 . 1 1 34 34 GLU CA C 34 57.565 57.565 55.985 1.580 25584 1574 1 18 . 1 1 34 34 GLU H H 34 8.485 8.485 7.765 0.720 25584 1575 1 18 . 1 1 35 35 GLU N N 35 120.374 120.374 118.303 2.071 25584 1576 1 18 . 1 1 35 35 GLU HA H 35 4.203 4.203 3.804 0.399 25584 1577 1 18 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.397 -0.479 25584 1578 1 18 . 1 1 35 35 GLU CB C 35 29.995 29.995 29.113 0.882 25584 1579 1 18 . 1 1 35 35 GLU H H 35 8.222 8.222 8.064 0.158 25584 1580 1 18 . 1 1 36 36 ALA N N 36 123.937 123.937 123.162 0.775 25584 1581 1 18 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.391 -0.143 25584 1582 1 18 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.184 0.596 25584 1583 1 18 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.628 -0.486 25584 1584 1 18 . 1 1 36 36 ALA H H 36 8.069 8.069 8.305 -0.236 25584 1585 1 18 . 1 1 37 37 GLN N N 37 118.851 118.851 127.013 -8.162 25584 1586 1 18 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.641 -0.382 25584 1587 1 18 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.134 1.975 25584 1588 1 18 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.135 -1.685 25584 1589 1 18 . 1 1 37 37 GLN H H 37 8.163 8.163 8.575 -0.412 25584 1590 1 18 . 1 1 38 38 ASP N N 38 120.904 120.904 128.788 -7.884 25584 1591 1 18 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.061 -0.482 25584 1592 1 18 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.151 2.387 25584 1593 1 18 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.245 -2.044 25584 1594 1 18 . 1 1 38 38 ASP H H 38 8.255 8.255 9.181 -0.926 25584 1595 1 18 . 1 1 39 39 MET N N 39 120.807 120.807 125.151 -4.344 25584 1596 1 18 . 1 1 39 39 MET HA H 39 4.483 4.483 5.156 -0.673 25584 1597 1 18 . 1 1 39 39 MET CA C 39 55.373 55.373 54.683 0.690 25584 1598 1 18 . 1 1 39 39 MET CB C 39 33.009 33.009 33.672 -0.663 25584 1599 1 18 . 1 1 39 39 MET H H 39 8.198 8.198 8.684 -0.486 25584 1600 1 18 . 1 1 40 40 GLY N N 40 115.885 115.885 118.147 -2.262 25584 1601 1 18 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.864 3.426 25584 1602 1 18 . 1 1 40 40 GLY H H 40 8.034 8.034 9.430 -1.396 25584 1603 1 19 . 1 1 22 22 ASP N N 22 122.413 122.413 115.537 6.876 25584 1604 1 19 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.820 -0.149 25584 1605 1 19 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.198 2.384 25584 1606 1 19 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.020 -0.881 25584 1607 1 19 . 1 1 23 23 THR N N 23 113.872 113.872 114.086 -0.214 25584 1608 1 19 . 1 1 23 23 THR HA H 23 4.286 4.286 4.481 -0.195 25584 1609 1 19 . 1 1 23 23 THR CA C 23 62.030 62.030 60.923 1.107 25584 1610 1 19 . 1 1 23 23 THR CB C 23 69.681 69.681 67.623 2.058 25584 1611 1 19 . 1 1 23 23 THR H H 23 8.114 8.114 8.171 -0.057 25584 1612 1 19 . 1 1 24 24 GLN HA H 24 4.288 4.288 3.999 0.289 25584 1613 1 19 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.623 -0.239 25584 1614 1 19 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.660 0.610 25584 1615 1 19 . 1 1 25 25 ASP N N 25 121.295 121.295 125.736 -4.441 25584 1616 1 19 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.542 0.007 25584 1617 1 19 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.487 -0.476 25584 1618 1 19 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.394 0.004 25584 1619 1 19 . 1 1 25 25 ASP H H 25 8.269 8.269 8.733 -0.464 25584 1620 1 19 . 1 1 26 26 ASP N N 26 120.922 120.922 122.580 -1.658 25584 1621 1 19 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.483 -1.043 25584 1622 1 19 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.164 4.206 25584 1623 1 19 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.196 -3.204 25584 1624 1 19 . 1 1 26 26 ASP H H 26 8.236 8.236 8.473 -0.237 25584 1625 1 19 . 1 1 27 27 PHE N N 27 119.725 119.725 124.121 -4.396 25584 1626 1 19 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.055 -0.650 25584 1627 1 19 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.938 2.281 25584 1628 1 19 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.308 -2.180 25584 1629 1 19 . 1 1 27 27 PHE H H 27 8.092 8.092 9.292 -1.200 25584 1630 1 19 . 1 1 28 28 LEU N N 28 120.070 120.070 130.673 -10.603 25584 1631 1 19 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.028 -0.861 25584 1632 1 19 . 1 1 28 28 LEU CA C 28 55.846 55.846 55.074 0.772 25584 1633 1 19 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.663 -0.568 25584 1634 1 19 . 1 1 28 28 LEU H H 28 7.896 7.896 8.902 -1.006 25584 1635 1 19 . 1 1 29 29 LYS N N 29 119.870 119.870 130.502 -10.632 25584 1636 1 19 . 1 1 29 29 LYS HA H 29 3.570 3.570 5.015 -1.445 25584 1637 1 19 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.148 0.644 25584 1638 1 19 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.674 -3.114 25584 1639 1 19 . 1 1 29 29 LYS H H 29 7.823 7.823 9.343 -1.520 25584 1640 1 19 . 1 1 30 30 TRP N N 30 120.769 120.769 128.786 -8.017 25584 1641 1 19 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.513 -1.184 25584 1642 1 19 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.161 4.037 25584 1643 1 19 . 1 1 30 30 TRP CB C 30 28.787 28.787 31.601 -2.814 25584 1644 1 19 . 1 1 30 30 TRP H H 30 7.403 7.403 8.861 -1.458 25584 1645 1 19 . 1 1 31 31 TRP N N 31 120.764 120.764 124.667 -3.903 25584 1646 1 19 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.303 -0.077 25584 1647 1 19 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.656 1.156 25584 1648 1 19 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.650 -2.143 25584 1649 1 19 . 1 1 31 31 TRP H H 31 7.348 7.348 8.417 -1.069 25584 1650 1 19 . 1 1 32 32 ARG N N 32 120.786 120.786 121.516 -0.730 25584 1651 1 19 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.872 0.289 25584 1652 1 19 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.211 -2.949 25584 1653 1 19 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.148 0.400 25584 1654 1 19 . 1 1 32 32 ARG H H 32 7.318 7.318 8.932 -1.614 25584 1655 1 19 . 1 1 33 33 SER N N 33 115.787 115.787 116.175 -0.388 25584 1656 1 19 . 1 1 33 33 SER HA H 33 4.329 4.329 4.300 0.029 25584 1657 1 19 . 1 1 33 33 SER CA C 33 58.741 58.741 59.421 -0.680 25584 1658 1 19 . 1 1 33 33 SER CB C 33 63.884 63.884 63.183 0.701 25584 1659 1 19 . 1 1 33 33 SER H H 33 7.836 7.836 8.075 -0.239 25584 1660 1 19 . 1 1 34 34 GLU N N 34 122.289 122.289 117.426 4.863 25584 1661 1 19 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.904 0.292 25584 1662 1 19 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.589 0.976 25584 1663 1 19 . 1 1 34 34 GLU H H 34 8.485 8.485 8.012 0.473 25584 1664 1 19 . 1 1 35 35 GLU N N 35 120.374 120.374 121.223 -0.849 25584 1665 1 19 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.328 -0.125 25584 1666 1 19 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.944 -1.026 25584 1667 1 19 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.681 -0.686 25584 1668 1 19 . 1 1 35 35 GLU H H 35 8.222 8.222 7.984 0.238 25584 1669 1 19 . 1 1 36 36 ALA N N 36 123.937 123.937 123.061 0.876 25584 1670 1 19 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.512 -0.264 25584 1671 1 19 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.066 0.714 25584 1672 1 19 . 1 1 36 36 ALA CB C 36 19.142 19.142 20.335 -1.193 25584 1673 1 19 . 1 1 36 36 ALA H H 36 8.069 8.069 7.944 0.125 25584 1674 1 19 . 1 1 37 37 GLN N N 37 118.851 118.851 123.757 -4.906 25584 1675 1 19 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.814 -0.555 25584 1676 1 19 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.885 1.224 25584 1677 1 19 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.885 -2.435 25584 1678 1 19 . 1 1 37 37 GLN H H 37 8.163 8.163 8.481 -0.318 25584 1679 1 19 . 1 1 38 38 ASP N N 38 120.904 120.904 130.065 -9.161 25584 1680 1 19 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.100 -0.521 25584 1681 1 19 . 1 1 38 38 ASP CA C 38 54.538 54.538 51.908 2.630 25584 1682 1 19 . 1 1 38 38 ASP CB C 38 41.201 41.201 42.392 -1.191 25584 1683 1 19 . 1 1 38 38 ASP H H 38 8.255 8.255 9.328 -1.073 25584 1684 1 19 . 1 1 39 39 MET N N 39 120.807 120.807 126.031 -5.224 25584 1685 1 19 . 1 1 39 39 MET HA H 39 4.483 4.483 5.220 -0.737 25584 1686 1 19 . 1 1 39 39 MET CA C 39 55.373 55.373 54.807 0.566 25584 1687 1 19 . 1 1 39 39 MET CB C 39 33.009 33.009 33.412 -0.403 25584 1688 1 19 . 1 1 39 39 MET H H 39 8.198 8.198 8.799 -0.601 25584 1689 1 19 . 1 1 40 40 GLY N N 40 115.885 115.885 118.278 -2.393 25584 1690 1 19 . 1 1 40 40 GLY CA C 40 46.290 46.290 42.864 3.426 25584 1691 1 19 . 1 1 40 40 GLY H H 40 8.034 8.034 9.433 -1.399 25584 1692 1 20 . 1 1 22 22 ASP N N 22 122.413 122.413 114.063 8.350 25584 1693 1 20 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.838 -0.167 25584 1694 1 20 . 1 1 22 22 ASP CA C 22 54.582 54.582 52.069 2.513 25584 1695 1 20 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.650 -1.511 25584 1696 1 20 . 1 1 23 23 THR N N 23 113.872 113.872 114.027 -0.155 25584 1697 1 20 . 1 1 23 23 THR HA H 23 4.286 4.286 4.479 -0.193 25584 1698 1 20 . 1 1 23 23 THR CA C 23 62.030 62.030 61.224 0.806 25584 1699 1 20 . 1 1 23 23 THR CB C 23 69.681 69.681 67.689 1.992 25584 1700 1 20 . 1 1 23 23 THR H H 23 8.114 8.114 8.279 -0.165 25584 1701 1 20 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.090 0.198 25584 1702 1 20 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.597 -0.213 25584 1703 1 20 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.687 0.583 25584 1704 1 20 . 1 1 25 25 ASP N N 25 121.295 121.295 125.735 -4.440 25584 1705 1 20 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.488 0.061 25584 1706 1 20 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.517 -0.505 25584 1707 1 20 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.141 0.257 25584 1708 1 20 . 1 1 25 25 ASP H H 25 8.269 8.269 8.539 -0.270 25584 1709 1 20 . 1 1 26 26 ASP N N 26 120.922 120.922 123.706 -2.784 25584 1710 1 20 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.450 -1.010 25584 1711 1 20 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.269 4.101 25584 1712 1 20 . 1 1 26 26 ASP CB C 26 40.992 40.992 43.990 -2.998 25584 1713 1 20 . 1 1 26 26 ASP H H 26 8.236 8.236 8.454 -0.218 25584 1714 1 20 . 1 1 27 27 PHE N N 27 119.725 119.725 125.145 -5.420 25584 1715 1 20 . 1 1 27 27 PHE HA H 27 4.405 4.405 4.980 -0.575 25584 1716 1 20 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.702 2.517 25584 1717 1 20 . 1 1 27 27 PHE CB C 27 39.128 39.128 39.699 -0.571 25584 1718 1 20 . 1 1 27 27 PHE H H 27 8.092 8.092 9.323 -1.231 25584 1719 1 20 . 1 1 28 28 LEU N N 28 120.070 120.070 132.333 -12.263 25584 1720 1 20 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.270 -1.103 25584 1721 1 20 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.499 1.347 25584 1722 1 20 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.307 -0.212 25584 1723 1 20 . 1 1 28 28 LEU H H 28 7.896 7.896 9.129 -1.233 25584 1724 1 20 . 1 1 29 29 LYS N N 29 119.870 119.870 130.373 -10.503 25584 1725 1 20 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.681 -1.111 25584 1726 1 20 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.610 0.182 25584 1727 1 20 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.541 -2.982 25584 1728 1 20 . 1 1 29 29 LYS H H 29 7.823 7.823 8.935 -1.112 25584 1729 1 20 . 1 1 30 30 TRP N N 30 120.769 120.769 127.158 -6.389 25584 1730 1 20 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.355 -1.026 25584 1731 1 20 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.581 3.617 25584 1732 1 20 . 1 1 30 30 TRP CB C 30 28.787 28.787 33.031 -4.244 25584 1733 1 20 . 1 1 30 30 TRP H H 30 7.403 7.403 8.665 -1.262 25584 1734 1 20 . 1 1 31 31 TRP N N 31 120.764 120.764 125.862 -5.098 25584 1735 1 20 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.509 -0.283 25584 1736 1 20 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.679 1.133 25584 1737 1 20 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.537 -2.030 25584 1738 1 20 . 1 1 31 31 TRP H H 31 7.348 7.348 8.610 -1.262 25584 1739 1 20 . 1 1 32 32 ARG N N 32 120.786 120.786 120.328 0.458 25584 1740 1 20 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.896 0.265 25584 1741 1 20 . 1 1 32 32 ARG CA C 32 56.262 56.262 59.160 -2.898 25584 1742 1 20 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.002 0.546 25584 1743 1 20 . 1 1 32 32 ARG H H 32 7.318 7.318 8.775 -1.457 25584 1744 1 20 . 1 1 33 33 SER N N 33 115.787 115.787 115.601 0.186 25584 1745 1 20 . 1 1 33 33 SER HA H 33 4.329 4.329 4.411 -0.082 25584 1746 1 20 . 1 1 33 33 SER CA C 33 58.741 58.741 58.224 0.518 25584 1747 1 20 . 1 1 33 33 SER CB C 33 63.884 63.884 63.563 0.321 25584 1748 1 20 . 1 1 33 33 SER H H 33 7.836 7.836 7.918 -0.082 25584 1749 1 20 . 1 1 34 34 GLU N N 34 122.289 122.289 117.842 4.447 25584 1750 1 20 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.826 0.370 25584 1751 1 20 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.538 1.027 25584 1752 1 20 . 1 1 34 34 GLU H H 34 8.485 8.485 8.119 0.366 25584 1753 1 20 . 1 1 35 35 GLU N N 35 120.374 120.374 121.972 -1.598 25584 1754 1 20 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.223 -0.020 25584 1755 1 20 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.928 -1.010 25584 1756 1 20 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.373 -0.378 25584 1757 1 20 . 1 1 35 35 GLU H H 35 8.222 8.222 8.064 0.158 25584 1758 1 20 . 1 1 36 36 ALA N N 36 123.937 123.937 123.823 0.114 25584 1759 1 20 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.521 -0.273 25584 1760 1 20 . 1 1 36 36 ALA CA C 36 52.780 52.780 51.991 0.789 25584 1761 1 20 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.608 -0.466 25584 1762 1 20 . 1 1 36 36 ALA H H 36 8.069 8.069 8.002 0.067 25584 1763 1 20 . 1 1 37 37 GLN N N 37 118.851 118.851 120.530 -1.679 25584 1764 1 20 . 1 1 37 37 GLN HA H 37 4.259 4.259 5.228 -0.969 25584 1765 1 20 . 1 1 37 37 GLN CA C 37 56.109 56.109 52.534 3.575 25584 1766 1 20 . 1 1 37 37 GLN CB C 37 29.450 29.450 32.200 -2.750 25584 1767 1 20 . 1 1 37 37 GLN H H 37 8.163 8.163 8.341 -0.178 25584 1768 1 20 . 1 1 38 38 ASP N N 38 120.904 120.904 124.124 -3.220 25584 1769 1 20 . 1 1 38 38 ASP HA H 38 4.579 4.579 4.979 -0.400 25584 1770 1 20 . 1 1 38 38 ASP CA C 38 54.538 54.538 53.076 1.462 25584 1771 1 20 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.776 -2.575 25584 1772 1 20 . 1 1 38 38 ASP H H 38 8.255 8.255 9.138 -0.883 25584 1773 1 20 . 1 1 39 39 MET N N 39 120.807 120.807 125.428 -4.621 25584 1774 1 20 . 1 1 39 39 MET HA H 39 4.483 4.483 4.883 -0.400 25584 1775 1 20 . 1 1 39 39 MET CA C 39 55.373 55.373 54.762 0.611 25584 1776 1 20 . 1 1 39 39 MET CB C 39 33.009 33.009 33.497 -0.488 25584 1777 1 20 . 1 1 39 39 MET H H 39 8.198 8.198 8.562 -0.364 25584 1778 1 20 . 1 1 40 40 GLY N N 40 115.885 115.885 118.867 -2.982 25584 1779 1 20 . 1 1 40 40 GLY CA C 40 46.290 46.290 44.135 2.155 25584 1780 1 20 . 1 1 40 40 GLY H H 40 8.034 8.034 9.320 -1.286 25584 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 18 5.316 2.909 4.578 25584 2 1 1 "Average Difference" HA 20 0.591 0.382 0.463 25584 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25584 4 1 1 "Average Difference" CA 19 2.150 -1.240 1.805 25584 5 1 1 "Average Difference" CB 17 1.753 1.024 1.466 25584 6 1 1 "Average Difference" HN 17 0.883 0.583 0.684 25584 7 1 2 "Average Difference" N 18 5.496 3.268 4.547 25584 8 1 2 "Average Difference" HA 20 0.606 0.384 0.481 25584 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25584 10 1 2 "Average Difference" CA 19 2.002 -1.073 1.736 25584 11 1 2 "Average Difference" CB 17 1.663 0.955 1.404 25584 12 1 2 "Average Difference" HN 17 0.922 0.653 0.670 25584 13 1 3 "Average Difference" N 18 5.339 3.184 4.410 25584 14 1 3 "Average Difference" HA 20 0.581 0.375 0.455 25584 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25584 16 1 3 "Average Difference" CA 19 1.952 -1.100 1.657 25584 17 1 3 "Average Difference" CB 17 1.824 1.010 1.565 25584 18 1 3 "Average Difference" HN 17 0.852 0.623 0.600 25584 19 1 4 "Average Difference" N 18 5.473 3.083 4.653 25584 20 1 4 "Average Difference" HA 20 0.667 0.407 0.542 25584 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25584 22 1 4 "Average Difference" CA 19 1.946 -1.360 1.429 25584 23 1 4 "Average Difference" CB 17 1.769 1.026 1.486 25584 24 1 4 "Average Difference" HN 17 0.923 0.642 0.682 25584 25 1 5 "Average Difference" N 18 5.236 2.913 4.478 25584 26 1 5 "Average Difference" HA 20 0.645 0.413 0.508 25584 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25584 28 1 5 "Average Difference" CA 19 2.096 -1.224 1.749 25584 29 1 5 "Average Difference" CB 17 1.818 1.091 1.499 25584 30 1 5 "Average Difference" HN 17 0.898 0.587 0.700 25584 31 1 6 "Average Difference" N 18 5.432 3.119 4.576 25584 32 1 6 "Average Difference" HA 20 0.662 0.442 0.506 25584 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25584 34 1 6 "Average Difference" CA 19 2.064 -1.210 1.718 25584 35 1 6 "Average Difference" CB 17 1.895 1.135 1.564 25584 36 1 6 "Average Difference" HN 17 0.929 0.678 0.655 25584 37 1 7 "Average Difference" N 18 5.432 3.116 4.578 25584 38 1 7 "Average Difference" HA 20 0.641 0.425 0.493 25584 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25584 40 1 7 "Average Difference" CA 19 2.094 -1.262 1.717 25584 41 1 7 "Average Difference" CB 17 1.897 1.150 1.555 25584 42 1 7 "Average Difference" HN 17 0.901 0.620 0.674 25584 43 1 8 "Average Difference" N 18 5.580 2.813 4.959 25584 44 1 8 "Average Difference" HA 20 0.599 0.367 0.485 25584 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25584 46 1 8 "Average Difference" CA 19 1.920 -1.090 1.623 25584 47 1 8 "Average Difference" CB 17 1.994 1.265 1.589 25584 48 1 8 "Average Difference" HN 17 0.915 0.652 0.662 25584 49 1 9 "Average Difference" N 18 5.342 2.994 4.553 25584 50 1 9 "Average Difference" HA 20 0.617 0.400 0.482 25584 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25584 52 1 9 "Average Difference" CA 19 2.037 -1.171 1.712 25584 53 1 9 "Average Difference" CB 17 1.788 1.062 1.483 25584 54 1 9 "Average Difference" HN 17 0.930 0.661 0.673 25584 55 1 10 "Average Difference" N 18 5.595 3.101 4.792 25584 56 1 10 "Average Difference" HA 20 0.651 0.396 0.530 25584 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25584 58 1 10 "Average Difference" CA 19 2.037 -1.117 1.750 25584 59 1 10 "Average Difference" CB 17 1.755 1.031 1.464 25584 60 1 10 "Average Difference" HN 17 0.949 0.686 0.676 25584 61 1 11 "Average Difference" N 18 5.373 3.242 4.409 25584 62 1 11 "Average Difference" HA 20 0.595 0.387 0.463 25584 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25584 64 1 11 "Average Difference" CA 19 2.031 -1.177 1.701 25584 65 1 11 "Average Difference" CB 17 1.805 1.097 1.477 25584 66 1 11 "Average Difference" HN 17 0.861 0.615 0.622 25584 67 1 12 "Average Difference" N 18 5.592 2.973 4.873 25584 68 1 12 "Average Difference" HA 20 0.563 0.379 0.428 25584 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25584 70 1 12 "Average Difference" CA 19 2.049 -1.208 1.700 25584 71 1 12 "Average Difference" CB 17 1.901 1.184 1.533 25584 72 1 12 "Average Difference" HN 17 0.890 0.656 0.619 25584 73 1 13 "Average Difference" N 18 5.105 2.613 4.513 25584 74 1 13 "Average Difference" HA 20 0.670 0.451 0.508 25584 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25584 76 1 13 "Average Difference" CA 19 2.123 -1.203 1.797 25584 77 1 13 "Average Difference" CB 17 1.956 1.255 1.546 25584 78 1 13 "Average Difference" HN 17 0.847 0.586 0.630 25584 79 1 14 "Average Difference" N 18 5.539 2.927 4.839 25584 80 1 14 "Average Difference" HA 20 0.606 0.388 0.478 25584 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25584 82 1 14 "Average Difference" CA 19 1.904 -1.045 1.635 25584 83 1 14 "Average Difference" CB 17 1.829 1.124 1.487 25584 84 1 14 "Average Difference" HN 17 0.900 0.661 0.629 25584 85 1 15 "Average Difference" N 18 5.603 3.112 4.795 25584 86 1 15 "Average Difference" HA 20 0.622 0.392 0.496 25584 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25584 88 1 15 "Average Difference" CA 19 1.979 -1.084 1.702 25584 89 1 15 "Average Difference" CB 17 1.821 1.031 1.547 25584 90 1 15 "Average Difference" HN 17 0.936 0.604 0.737 25584 91 1 16 "Average Difference" N 18 5.363 3.089 4.511 25584 92 1 16 "Average Difference" HA 20 0.575 0.367 0.454 25584 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25584 94 1 16 "Average Difference" CA 19 1.984 -1.055 1.726 25584 95 1 16 "Average Difference" CB 17 1.858 1.059 1.574 25584 96 1 16 "Average Difference" HN 17 0.949 0.678 0.685 25584 97 1 17 "Average Difference" N 18 5.350 2.765 4.713 25584 98 1 17 "Average Difference" HA 20 0.652 0.435 0.499 25584 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25584 100 1 17 "Average Difference" CA 19 1.975 -1.122 1.670 25584 101 1 17 "Average Difference" CB 17 2.072 1.344 1.626 25584 102 1 17 "Average Difference" HN 17 0.924 0.619 0.707 25584 103 1 18 "Average Difference" N 18 5.509 3.285 4.551 25584 104 1 18 "Average Difference" HA 20 0.607 0.381 0.485 25584 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25584 106 1 18 "Average Difference" CA 19 1.987 -1.360 1.489 25584 107 1 18 "Average Difference" CB 17 1.792 0.943 1.571 25584 108 1 18 "Average Difference" HN 17 0.898 0.618 0.671 25584 109 1 19 "Average Difference" N 18 5.582 3.050 4.811 25584 110 1 19 "Average Difference" HA 20 0.616 0.385 0.493 25584 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25584 112 1 19 "Average Difference" CA 19 2.063 -1.092 1.798 25584 113 1 19 "Average Difference" CB 17 1.765 1.002 1.498 25584 114 1 19 "Average Difference" HN 17 0.934 0.672 0.669 25584 115 1 20 "Average Difference" N 18 5.375 2.644 4.816 25584 116 1 20 "Average Difference" HA 20 0.585 0.372 0.464 25584 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25584 118 1 20 "Average Difference" CA 19 2.025 -1.143 1.717 25584 119 1 20 "Average Difference" CB 17 1.913 1.030 1.662 25584 120 1 20 "Average Difference" HN 17 0.857 0.612 0.618 25584 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 25584 _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 22 22 ASP N N 22 122.413 122.413 116.211 6.202 25584 2 1 . 1 1 22 22 ASP HA H 22 4.671 4.671 4.879 -0.208 25584 3 1 . 1 1 22 22 ASP CA C 22 54.582 54.582 51.908 2.674 25584 4 1 . 1 1 22 22 ASP CB C 22 41.139 41.139 42.656 -1.517 25584 5 1 . 1 1 23 23 THR N N 23 113.872 113.872 114.338 -0.466 25584 6 1 . 1 1 23 23 THR HA H 23 4.286 4.286 4.507 -0.221 25584 7 1 . 1 1 23 23 THR CA C 23 62.030 62.030 60.956 1.074 25584 8 1 . 1 1 23 23 THR CB C 23 69.681 69.681 68.099 1.582 25584 9 1 . 1 1 23 23 THR H H 23 8.114 8.114 8.134 -0.020 25584 10 1 . 1 1 24 24 GLN HA H 24 4.288 4.288 4.083 0.205 25584 11 1 . 1 1 24 24 GLN CA C 24 56.384 56.384 56.425 -0.041 25584 12 1 . 1 1 24 24 GLN CB C 24 29.270 29.270 28.533 0.737 25584 13 1 . 1 1 25 25 ASP N N 25 121.295 121.295 125.806 -4.511 25584 14 1 . 1 1 25 25 ASP HA H 25 4.549 4.549 4.611 -0.063 25584 15 1 . 1 1 25 25 ASP CA C 25 55.011 55.011 55.301 -0.290 25584 16 1 . 1 1 25 25 ASP CB C 25 41.398 41.398 41.370 0.028 25584 17 1 . 1 1 25 25 ASP H H 25 8.269 8.269 8.874 -0.605 25584 18 1 . 1 1 26 26 ASP N N 26 120.922 120.922 122.761 -1.839 25584 19 1 . 1 1 26 26 ASP HA H 26 4.440 4.440 5.547 -1.107 25584 20 1 . 1 1 26 26 ASP CA C 26 55.370 55.370 51.206 4.164 25584 21 1 . 1 1 26 26 ASP CB C 26 40.992 40.992 44.095 -3.103 25584 22 1 . 1 1 26 26 ASP H H 26 8.236 8.236 8.394 -0.158 25584 23 1 . 1 1 27 27 PHE N N 27 119.725 119.725 123.942 -4.217 25584 24 1 . 1 1 27 27 PHE HA H 27 4.405 4.405 5.050 -0.645 25584 25 1 . 1 1 27 27 PHE CA C 27 59.219 59.219 56.868 2.351 25584 26 1 . 1 1 27 27 PHE CB C 27 39.128 39.128 41.158 -2.030 25584 27 1 . 1 1 27 27 PHE H H 27 8.092 8.092 9.253 -1.161 25584 28 1 . 1 1 28 28 LEU N N 28 120.070 120.070 130.968 -10.898 25584 29 1 . 1 1 28 28 LEU HA H 28 4.167 4.167 5.140 -0.973 25584 30 1 . 1 1 28 28 LEU CA C 28 55.846 55.846 54.741 1.105 25584 31 1 . 1 1 28 28 LEU CB C 28 42.095 42.095 42.622 -0.527 25584 32 1 . 1 1 28 28 LEU H H 28 7.896 7.896 8.948 -1.052 25584 33 1 . 1 1 29 29 LYS N N 29 119.870 119.870 130.430 -10.560 25584 34 1 . 1 1 29 29 LYS HA H 29 3.570 3.570 4.919 -1.349 25584 35 1 . 1 1 29 29 LYS CA C 29 55.792 55.792 55.344 0.448 25584 36 1 . 1 1 29 29 LYS CB C 29 31.560 31.560 34.656 -3.096 25584 37 1 . 1 1 29 29 LYS H H 29 7.823 7.823 9.256 -1.433 25584 38 1 . 1 1 30 30 TRP N N 30 120.769 120.769 128.151 -7.382 25584 39 1 . 1 1 30 30 TRP HA H 30 4.329 4.329 5.457 -1.128 25584 40 1 . 1 1 30 30 TRP CA C 30 58.198 58.198 54.369 3.829 25584 41 1 . 1 1 30 30 TRP CB C 30 28.787 28.787 32.225 -3.438 25584 42 1 . 1 1 30 30 TRP H H 30 7.403 7.403 8.755 -1.352 25584 43 1 . 1 1 31 31 TRP N N 31 120.764 120.764 125.381 -4.617 25584 44 1 . 1 1 31 31 TRP HA H 31 4.226 4.226 4.273 -0.047 25584 45 1 . 1 1 31 31 TRP CA C 31 57.812 57.812 56.816 0.996 25584 46 1 . 1 1 31 31 TRP CB C 31 28.507 28.507 30.429 -1.922 25584 47 1 . 1 1 31 31 TRP H H 31 7.348 7.348 8.455 -1.107 25584 48 1 . 1 1 32 32 ARG N N 32 120.786 120.786 120.789 -0.003 25584 49 1 . 1 1 32 32 ARG HA H 32 4.161 4.161 3.959 0.202 25584 50 1 . 1 1 32 32 ARG CA C 32 56.262 56.262 58.917 -2.655 25584 51 1 . 1 1 32 32 ARG CB C 32 30.548 30.548 30.046 0.502 25584 52 1 . 1 1 32 32 ARG H H 32 7.318 7.318 8.770 -1.452 25584 53 1 . 1 1 33 33 SER N N 33 115.787 115.787 115.857 -0.070 25584 54 1 . 1 1 33 33 SER HA H 33 4.329 4.329 4.368 -0.039 25584 55 1 . 1 1 33 33 SER CA C 33 58.741 58.741 58.712 0.029 25584 56 1 . 1 1 33 33 SER CB C 33 63.884 63.884 63.436 0.448 25584 57 1 . 1 1 33 33 SER H H 33 7.836 7.836 8.007 -0.171 25584 58 1 . 1 1 34 34 GLU N N 34 122.289 122.289 118.172 4.117 25584 59 1 . 1 1 34 34 GLU HA H 34 4.196 4.196 3.903 0.293 25584 60 1 . 1 1 34 34 GLU CA C 34 57.565 57.565 56.479 1.086 25584 61 1 . 1 1 34 34 GLU H H 34 8.485 8.485 7.931 0.554 25584 62 1 . 1 1 35 35 GLU N N 35 120.374 120.374 121.289 -0.915 25584 63 1 . 1 1 35 35 GLU HA H 35 4.203 4.203 4.207 -0.004 25584 64 1 . 1 1 35 35 GLU CA C 35 56.918 56.918 57.945 -1.028 25584 65 1 . 1 1 35 35 GLU CB C 35 29.995 29.995 30.365 -0.370 25584 66 1 . 1 1 35 35 GLU H H 35 8.222 8.222 8.093 0.129 25584 67 1 . 1 1 36 36 ALA N N 36 123.937 123.937 123.236 0.701 25584 68 1 . 1 1 36 36 ALA HA H 36 4.248 4.248 4.459 -0.211 25584 69 1 . 1 1 36 36 ALA CA C 36 52.780 52.780 52.151 0.629 25584 70 1 . 1 1 36 36 ALA CB C 36 19.142 19.142 19.909 -0.767 25584 71 1 . 1 1 36 36 ALA H H 36 8.069 8.069 7.877 0.192 25584 72 1 . 1 1 37 37 GLN N N 37 118.851 118.851 124.449 -5.598 25584 73 1 . 1 1 37 37 GLN HA H 37 4.259 4.259 4.877 -0.618 25584 74 1 . 1 1 37 37 GLN CA C 37 56.109 56.109 54.194 1.915 25584 75 1 . 1 1 37 37 GLN CB C 37 29.450 29.450 31.849 -2.398 25584 76 1 . 1 1 37 37 GLN H H 37 8.163 8.163 8.454 -0.291 25584 77 1 . 1 1 38 38 ASP N N 38 120.904 120.904 128.509 -7.605 25584 78 1 . 1 1 38 38 ASP HA H 38 4.579 4.579 5.076 -0.497 25584 79 1 . 1 1 38 38 ASP CA C 38 54.538 54.538 52.135 2.403 25584 80 1 . 1 1 38 38 ASP CB C 38 41.201 41.201 43.254 -2.053 25584 81 1 . 1 1 38 38 ASP H H 38 8.255 8.255 9.255 -1.000 25584 82 1 . 1 1 39 39 MET N N 39 120.807 120.807 125.422 -4.615 25584 83 1 . 1 1 39 39 MET HA H 39 4.483 4.483 5.192 -0.709 25584 84 1 . 1 1 39 39 MET CA C 39 55.373 55.373 54.692 0.681 25584 85 1 . 1 1 39 39 MET CB C 39 33.009 33.009 33.632 -0.623 25584 86 1 . 1 1 39 39 MET H H 39 8.198 8.198 8.714 -0.516 25584 87 1 . 1 1 40 40 GLY N N 40 115.885 115.885 117.789 -1.904 25584 88 1 . 1 1 40 40 GLY CA C 40 46.290 46.290 43.489 2.801 25584 89 1 . 1 1 40 40 GLY H H 40 8.034 8.034 9.393 -1.359 25584 stop_ save_