data_19833 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19833 _Entry.PDB_ID 2MLV 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 19833 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 124.507 124.507 121.428 3.079 19833 2 1 1 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.439 -0.041 19833 3 1 1 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.353 0.625 19833 4 1 1 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.797 0.323 19833 5 1 1 . 1 1 2 2 LYS H H 2 9.055 9.055 8.202 0.853 19833 6 1 1 . 1 1 3 3 THR N N 3 116.151 116.151 115.771 0.380 19833 7 1 1 . 1 1 3 3 THR HA H 3 4.228 4.228 4.510 -0.282 19833 8 1 1 . 1 1 3 3 THR CA C 3 64.622 64.622 60.882 3.740 19833 9 1 1 . 1 1 3 3 THR CB C 3 69.037 69.037 68.670 0.367 19833 10 1 1 . 1 1 3 3 THR H H 3 8.487 8.487 7.956 0.531 19833 11 1 1 . 1 1 4 4 ILE N N 4 121.254 121.254 123.681 -2.427 19833 12 1 1 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.050 0.070 19833 13 1 1 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.777 1.028 19833 14 1 1 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.815 0.317 19833 15 1 1 . 1 1 4 4 ILE H H 4 8.561 8.561 8.070 0.491 19833 16 1 1 . 1 1 5 5 LEU N N 5 119.718 119.718 119.536 0.182 19833 17 1 1 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.979 0.219 19833 18 1 1 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.023 -0.601 19833 19 1 1 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.988 0.279 19833 20 1 1 . 1 1 5 5 LEU H H 5 7.944 7.944 8.153 -0.209 19833 21 1 1 . 1 1 6 6 ARG N N 6 118.685 118.685 118.845 -0.160 19833 22 1 1 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.089 0.054 19833 23 1 1 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.221 0.644 19833 24 1 1 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.324 0.537 19833 25 1 1 . 1 1 6 6 ARG H H 6 8.013 8.013 7.765 0.248 19833 26 1 1 . 1 1 7 7 PHE N N 7 118.774 118.774 121.087 -2.313 19833 27 1 1 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.475 0.021 19833 28 1 1 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.480 -0.143 19833 29 1 1 . 1 1 7 7 PHE H H 7 7.950 7.950 7.819 0.131 19833 30 1 1 . 1 1 8 8 VAL N N 8 116.545 116.545 119.419 -2.874 19833 31 1 1 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.290 0.616 19833 32 1 1 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.319 -1.204 19833 33 1 1 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.891 1.182 19833 34 1 1 . 1 1 8 8 VAL H H 8 8.014 8.014 8.698 -0.684 19833 35 1 1 . 1 1 9 9 ALA N N 9 121.564 121.564 122.412 -0.848 19833 36 1 1 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.998 0.243 19833 37 1 1 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.725 -1.087 19833 38 1 1 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.921 0.726 19833 39 1 1 . 1 1 9 9 ALA H H 9 8.087 8.087 7.899 0.188 19833 40 1 1 . 1 1 10 10 GLY N N 10 104.760 104.760 105.324 -0.564 19833 41 1 1 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.474 -1.060 19833 42 1 1 . 1 1 10 10 GLY H H 10 8.143 8.143 7.842 0.301 19833 43 1 1 . 1 1 11 11 TYR N N 11 121.166 121.166 122.675 -1.509 19833 44 1 1 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.185 0.150 19833 45 1 1 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.584 -0.452 19833 46 1 1 . 1 1 11 11 TYR H H 11 8.010 8.010 7.536 0.474 19833 47 1 1 . 1 1 12 12 ASP N N 12 119.461 119.461 120.128 -0.667 19833 48 1 1 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.454 0.170 19833 49 1 1 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.244 -0.738 19833 50 1 1 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.682 -2.443 19833 51 1 1 . 1 1 12 12 ASP H H 12 8.416 8.416 8.628 -0.212 19833 52 1 1 . 1 1 13 13 ILE N N 13 120.538 120.538 119.499 1.039 19833 53 1 1 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.995 0.007 19833 54 1 1 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.308 -0.981 19833 55 1 1 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.417 0.195 19833 56 1 1 . 1 1 13 13 ILE H H 13 8.155 8.155 7.205 0.950 19833 57 1 1 . 1 1 14 14 ALA N N 14 123.708 123.708 122.154 1.554 19833 58 1 1 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.891 0.358 19833 59 1 1 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.318 -1.398 19833 60 1 1 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.779 1.206 19833 61 1 1 . 1 1 14 14 ALA H H 14 8.276 8.276 8.257 0.019 19833 62 1 1 . 1 1 15 15 SER N N 15 112.747 112.747 112.576 0.171 19833 63 1 1 . 1 1 15 15 SER HA H 15 4.306 4.306 3.966 0.340 19833 64 1 1 . 1 1 15 15 SER CA C 15 59.618 59.618 60.734 -1.116 19833 65 1 1 . 1 1 15 15 SER CB C 15 63.522 63.522 62.963 0.559 19833 66 1 1 . 1 1 15 15 SER H H 15 8.068 8.068 8.064 0.004 19833 67 1 1 . 1 1 16 16 HIS N N 16 119.224 119.224 119.789 -0.565 19833 68 1 1 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.457 0.250 19833 69 1 1 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.056 -1.368 19833 70 1 1 . 1 1 16 16 HIS H H 16 8.161 8.161 7.664 0.497 19833 71 1 1 . 1 1 17 17 LYS N N 17 120.978 120.978 118.168 2.810 19833 72 1 1 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.011 0.331 19833 73 1 1 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.132 -1.264 19833 74 1 1 . 1 1 17 17 LYS H H 17 8.083 8.083 7.990 0.093 19833 75 1 1 . 1 1 18 18 LYS N N 18 121.764 121.764 117.528 4.236 19833 76 1 1 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.216 0.129 19833 77 1 1 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.215 0.452 19833 78 1 1 . 1 1 18 18 LYS H H 18 8.235 8.235 7.700 0.535 19833 79 1 1 . 1 1 19 19 LYS N N 19 122.420 122.420 120.027 2.393 19833 80 1 1 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.038 0.377 19833 81 1 1 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.137 -0.390 19833 82 1 1 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.841 2.606 19833 83 1 1 . 1 1 19 19 LYS H H 19 8.397 8.397 7.891 0.506 19833 84 1 1 . 1 1 20 20 THR N N 20 114.054 114.054 117.875 -3.821 19833 85 1 1 . 1 1 20 20 THR HA H 20 4.417 4.417 4.306 0.111 19833 86 1 1 . 1 1 20 20 THR CA C 20 61.883 61.883 61.864 0.019 19833 87 1 1 . 1 1 20 20 THR CB C 20 69.985 69.985 69.795 0.190 19833 88 1 1 . 1 1 20 20 THR H H 20 8.093 8.093 8.130 -0.037 19833 89 1 1 . 1 1 21 21 GLY N N 21 110.822 110.822 113.348 -2.526 19833 90 1 1 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.269 0.071 19833 91 1 1 . 1 1 21 21 GLY H H 21 8.360 8.360 8.453 -0.093 19833 92 1 1 . 1 1 22 22 GLY N N 22 107.828 107.828 109.947 -2.119 19833 93 1 1 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.462 0.396 19833 94 1 1 . 1 1 22 22 GLY H H 22 8.144 8.144 7.672 0.472 19833 95 1 1 . 1 1 23 23 TYR N N 23 119.305 119.305 124.719 -5.414 19833 96 1 1 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.091 0.427 19833 97 1 1 . 1 1 23 23 TYR H H 23 7.871 7.871 8.146 -0.275 19833 98 1 1 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.392 -0.001 19833 99 1 1 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.523 0.125 19833 100 1 1 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.338 -0.634 19833 101 1 1 . 1 1 25 25 TRP N N 25 113.569 113.569 116.968 -3.399 19833 102 1 1 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.914 -0.524 19833 103 1 1 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.977 -0.347 19833 104 1 1 . 1 1 25 25 TRP H H 25 6.927 6.927 7.157 -0.230 19833 105 1 1 . 1 1 26 26 GLU N N 26 120.107 120.107 120.751 -0.644 19833 106 1 1 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.488 -0.019 19833 107 1 1 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.711 0.167 19833 108 1 1 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.471 0.470 19833 109 1 1 . 1 1 26 26 GLU H H 26 7.657 7.657 7.544 0.113 19833 110 1 1 . 1 1 27 27 ARG N N 27 120.913 120.913 119.994 0.919 19833 111 1 1 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.504 -0.139 19833 112 1 1 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.120 1.423 19833 113 1 1 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.304 0.602 19833 114 1 1 . 1 1 27 27 ARG H H 27 8.164 8.164 7.414 0.750 19833 115 1 1 . 1 1 28 28 GLY N N 28 109.371 109.371 108.399 0.972 19833 116 1 1 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.311 0.159 19833 117 1 1 . 1 1 28 28 GLY H H 28 8.487 8.487 8.430 0.057 19833 118 1 1 . 1 1 29 29 LYS N N 29 120.511 120.511 117.314 3.197 19833 119 1 1 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.791 0.626 19833 120 1 1 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.804 -0.749 19833 121 1 1 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.255 2.873 19833 122 1 1 . 1 1 29 29 LYS H H 29 8.116 8.116 8.525 -0.409 19833 123 1 2 . 1 1 2 2 LYS N N 2 124.507 124.507 120.956 3.551 19833 124 1 2 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.593 -0.195 19833 125 1 2 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.357 0.621 19833 126 1 2 . 1 1 2 2 LYS CB C 2 33.120 33.120 33.113 0.007 19833 127 1 2 . 1 1 2 2 LYS H H 2 9.055 9.055 8.560 0.495 19833 128 1 2 . 1 1 3 3 THR N N 3 116.151 116.151 114.341 1.810 19833 129 1 2 . 1 1 3 3 THR HA H 3 4.228 4.228 4.528 -0.300 19833 130 1 2 . 1 1 3 3 THR CA C 3 64.622 64.622 61.721 2.901 19833 131 1 2 . 1 1 3 3 THR CB C 3 69.037 69.037 69.486 -0.449 19833 132 1 2 . 1 1 3 3 THR H H 3 8.487 8.487 7.835 0.652 19833 133 1 2 . 1 1 4 4 ILE N N 4 121.254 121.254 124.178 -2.924 19833 134 1 2 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.034 0.086 19833 135 1 2 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.825 0.980 19833 136 1 2 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.676 0.456 19833 137 1 2 . 1 1 4 4 ILE H H 4 8.561 8.561 8.185 0.376 19833 138 1 2 . 1 1 5 5 LEU N N 5 119.718 119.718 119.519 0.199 19833 139 1 2 . 1 1 5 5 LEU HA H 5 4.198 4.198 4.057 0.141 19833 140 1 2 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.657 -0.236 19833 141 1 2 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.622 0.645 19833 142 1 2 . 1 1 5 5 LEU H H 5 7.944 7.944 7.890 0.054 19833 143 1 2 . 1 1 6 6 ARG N N 6 118.685 118.685 118.855 -0.170 19833 144 1 2 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.093 0.050 19833 145 1 2 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.225 0.640 19833 146 1 2 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.334 0.527 19833 147 1 2 . 1 1 6 6 ARG H H 6 8.013 8.013 7.781 0.232 19833 148 1 2 . 1 1 7 7 PHE N N 7 118.774 118.774 121.143 -2.369 19833 149 1 2 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.458 0.038 19833 150 1 2 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.728 -0.391 19833 151 1 2 . 1 1 7 7 PHE H H 7 7.950 7.950 7.817 0.133 19833 152 1 2 . 1 1 8 8 VAL N N 8 116.545 116.545 119.023 -2.478 19833 153 1 2 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.221 0.685 19833 154 1 2 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.201 -1.086 19833 155 1 2 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.292 0.781 19833 156 1 2 . 1 1 8 8 VAL H H 8 8.014 8.014 8.798 -0.784 19833 157 1 2 . 1 1 9 9 ALA N N 9 121.564 121.564 122.337 -0.773 19833 158 1 2 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.005 0.236 19833 159 1 2 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.689 -1.051 19833 160 1 2 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.944 0.703 19833 161 1 2 . 1 1 9 9 ALA H H 9 8.087 8.087 7.920 0.167 19833 162 1 2 . 1 1 10 10 GLY N N 10 104.760 104.760 105.332 -0.572 19833 163 1 2 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.483 -1.069 19833 164 1 2 . 1 1 10 10 GLY H H 10 8.143 8.143 7.839 0.304 19833 165 1 2 . 1 1 11 11 TYR N N 11 121.166 121.166 122.641 -1.475 19833 166 1 2 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.170 0.165 19833 167 1 2 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.666 -0.534 19833 168 1 2 . 1 1 11 11 TYR H H 11 8.010 8.010 7.586 0.424 19833 169 1 2 . 1 1 12 12 ASP N N 12 119.461 119.461 120.036 -0.575 19833 170 1 2 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.460 0.164 19833 171 1 2 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.558 -1.052 19833 172 1 2 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.770 -2.531 19833 173 1 2 . 1 1 12 12 ASP H H 12 8.416 8.416 8.606 -0.190 19833 174 1 2 . 1 1 13 13 ILE N N 13 120.538 120.538 119.235 1.303 19833 175 1 2 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.909 0.093 19833 176 1 2 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.300 -0.972 19833 177 1 2 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.442 0.170 19833 178 1 2 . 1 1 13 13 ILE H H 13 8.155 8.155 7.195 0.960 19833 179 1 2 . 1 1 14 14 ALA N N 14 123.708 123.708 122.414 1.294 19833 180 1 2 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.967 0.282 19833 181 1 2 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.341 -1.421 19833 182 1 2 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.876 1.109 19833 183 1 2 . 1 1 14 14 ALA H H 14 8.276 8.276 8.278 -0.002 19833 184 1 2 . 1 1 15 15 SER N N 15 112.747 112.747 112.995 -0.248 19833 185 1 2 . 1 1 15 15 SER HA H 15 4.306 4.306 3.989 0.317 19833 186 1 2 . 1 1 15 15 SER CA C 15 59.618 59.618 60.748 -1.130 19833 187 1 2 . 1 1 15 15 SER CB C 15 63.522 63.522 63.120 0.402 19833 188 1 2 . 1 1 15 15 SER H H 15 8.068 8.068 8.109 -0.041 19833 189 1 2 . 1 1 16 16 HIS N N 16 119.224 119.224 120.111 -0.887 19833 190 1 2 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.481 0.226 19833 191 1 2 . 1 1 16 16 HIS CB C 16 28.688 28.688 29.965 -1.277 19833 192 1 2 . 1 1 16 16 HIS H H 16 8.161 8.161 7.722 0.439 19833 193 1 2 . 1 1 17 17 LYS N N 17 120.978 120.978 118.659 2.319 19833 194 1 2 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.209 0.133 19833 195 1 2 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.053 -1.185 19833 196 1 2 . 1 1 17 17 LYS H H 17 8.083 8.083 8.007 0.076 19833 197 1 2 . 1 1 18 18 LYS N N 18 121.764 121.764 117.715 4.049 19833 198 1 2 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.220 0.125 19833 199 1 2 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.418 0.249 19833 200 1 2 . 1 1 18 18 LYS H H 18 8.235 8.235 7.915 0.320 19833 201 1 2 . 1 1 19 19 LYS N N 19 122.420 122.420 120.091 2.329 19833 202 1 2 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.016 0.399 19833 203 1 2 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.061 -0.314 19833 204 1 2 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.645 2.802 19833 205 1 2 . 1 1 19 19 LYS H H 19 8.397 8.397 8.038 0.359 19833 206 1 2 . 1 1 20 20 THR N N 20 114.054 114.054 116.285 -2.231 19833 207 1 2 . 1 1 20 20 THR HA H 20 4.417 4.417 4.347 0.070 19833 208 1 2 . 1 1 20 20 THR CA C 20 61.883 61.883 61.444 0.439 19833 209 1 2 . 1 1 20 20 THR CB C 20 69.985 69.985 69.614 0.371 19833 210 1 2 . 1 1 20 20 THR H H 20 8.093 8.093 8.144 -0.051 19833 211 1 2 . 1 1 21 21 GLY N N 21 110.822 110.822 110.676 0.146 19833 212 1 2 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.793 0.547 19833 213 1 2 . 1 1 21 21 GLY H H 21 8.360 8.360 8.276 0.084 19833 214 1 2 . 1 1 22 22 GLY N N 22 107.828 107.828 110.461 -2.633 19833 215 1 2 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.703 -0.845 19833 216 1 2 . 1 1 22 22 GLY H H 22 8.144 8.144 7.682 0.462 19833 217 1 2 . 1 1 23 23 TYR N N 23 119.305 119.305 125.665 -6.360 19833 218 1 2 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.053 0.465 19833 219 1 2 . 1 1 23 23 TYR H H 23 7.871 7.871 8.202 -0.331 19833 220 1 2 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.386 0.005 19833 221 1 2 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.485 0.163 19833 222 1 2 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.359 -0.655 19833 223 1 2 . 1 1 25 25 TRP N N 25 113.569 113.569 115.535 -1.966 19833 224 1 2 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.780 -0.390 19833 225 1 2 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.148 -0.519 19833 226 1 2 . 1 1 25 25 TRP H H 25 6.927 6.927 7.087 -0.160 19833 227 1 2 . 1 1 26 26 GLU N N 26 120.107 120.107 120.462 -0.355 19833 228 1 2 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.480 -0.011 19833 229 1 2 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.126 -0.248 19833 230 1 2 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.466 0.475 19833 231 1 2 . 1 1 26 26 GLU H H 26 7.657 7.657 7.375 0.282 19833 232 1 2 . 1 1 27 27 ARG N N 27 120.913 120.913 119.711 1.202 19833 233 1 2 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.479 -0.114 19833 234 1 2 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.712 0.831 19833 235 1 2 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.209 0.697 19833 236 1 2 . 1 1 27 27 ARG H H 27 8.164 8.164 8.314 -0.150 19833 237 1 2 . 1 1 28 28 GLY N N 28 109.371 109.371 108.609 0.762 19833 238 1 2 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.882 0.589 19833 239 1 2 . 1 1 28 28 GLY H H 28 8.487 8.487 8.308 0.179 19833 240 1 2 . 1 1 29 29 LYS N N 29 120.511 120.511 123.869 -3.358 19833 241 1 2 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.502 -0.085 19833 242 1 2 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.836 0.219 19833 243 1 2 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.094 1.034 19833 244 1 2 . 1 1 29 29 LYS H H 29 8.116 8.116 8.423 -0.307 19833 245 1 3 . 1 1 2 2 LYS N N 2 124.507 124.507 121.653 2.854 19833 246 1 3 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.443 -0.045 19833 247 1 3 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.111 0.867 19833 248 1 3 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.971 0.149 19833 249 1 3 . 1 1 2 2 LYS H H 2 9.055 9.055 8.346 0.709 19833 250 1 3 . 1 1 3 3 THR N N 3 116.151 116.151 115.351 0.800 19833 251 1 3 . 1 1 3 3 THR HA H 3 4.228 4.228 4.492 -0.264 19833 252 1 3 . 1 1 3 3 THR CA C 3 64.622 64.622 60.753 3.869 19833 253 1 3 . 1 1 3 3 THR CB C 3 69.037 69.037 68.409 0.628 19833 254 1 3 . 1 1 3 3 THR H H 3 8.487 8.487 8.038 0.449 19833 255 1 3 . 1 1 4 4 ILE N N 4 121.254 121.254 123.166 -1.912 19833 256 1 3 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.031 0.089 19833 257 1 3 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.782 1.023 19833 258 1 3 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.907 0.225 19833 259 1 3 . 1 1 4 4 ILE H H 4 8.561 8.561 8.090 0.471 19833 260 1 3 . 1 1 5 5 LEU N N 5 119.718 119.718 119.518 0.200 19833 261 1 3 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.970 0.228 19833 262 1 3 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.027 -0.606 19833 263 1 3 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.972 0.295 19833 264 1 3 . 1 1 5 5 LEU H H 5 7.944 7.944 8.144 -0.200 19833 265 1 3 . 1 1 6 6 ARG N N 6 118.685 118.685 118.823 -0.138 19833 266 1 3 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.082 0.061 19833 267 1 3 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.244 0.621 19833 268 1 3 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.336 0.525 19833 269 1 3 . 1 1 6 6 ARG H H 6 8.013 8.013 7.772 0.241 19833 270 1 3 . 1 1 7 7 PHE N N 7 118.774 118.774 121.165 -2.391 19833 271 1 3 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.483 0.013 19833 272 1 3 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.709 -0.371 19833 273 1 3 . 1 1 7 7 PHE H H 7 7.950 7.950 7.828 0.122 19833 274 1 3 . 1 1 8 8 VAL N N 8 116.545 116.545 118.938 -2.393 19833 275 1 3 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.294 0.612 19833 276 1 3 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.657 -0.543 19833 277 1 3 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.416 1.657 19833 278 1 3 . 1 1 8 8 VAL H H 8 8.014 8.014 8.743 -0.729 19833 279 1 3 . 1 1 9 9 ALA N N 9 121.564 121.564 122.481 -0.917 19833 280 1 3 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.013 0.228 19833 281 1 3 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.665 -1.027 19833 282 1 3 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.063 0.584 19833 283 1 3 . 1 1 9 9 ALA H H 9 8.087 8.087 7.939 0.148 19833 284 1 3 . 1 1 10 10 GLY N N 10 104.760 104.760 105.382 -0.622 19833 285 1 3 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.498 -1.085 19833 286 1 3 . 1 1 10 10 GLY H H 10 8.143 8.143 7.849 0.294 19833 287 1 3 . 1 1 11 11 TYR N N 11 121.166 121.166 122.636 -1.470 19833 288 1 3 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.150 0.185 19833 289 1 3 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.708 -0.576 19833 290 1 3 . 1 1 11 11 TYR H H 11 8.010 8.010 7.559 0.451 19833 291 1 3 . 1 1 12 12 ASP N N 12 119.461 119.461 120.404 -0.943 19833 292 1 3 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.439 0.185 19833 293 1 3 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.622 -1.116 19833 294 1 3 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.681 -2.442 19833 295 1 3 . 1 1 12 12 ASP H H 12 8.416 8.416 8.604 -0.188 19833 296 1 3 . 1 1 13 13 ILE N N 13 120.538 120.538 120.146 0.392 19833 297 1 3 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.816 0.186 19833 298 1 3 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.859 -1.531 19833 299 1 3 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.203 0.409 19833 300 1 3 . 1 1 13 13 ILE H H 13 8.155 8.155 7.306 0.849 19833 301 1 3 . 1 1 14 14 ALA N N 14 123.708 123.708 122.137 1.571 19833 302 1 3 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.890 0.359 19833 303 1 3 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.436 -1.516 19833 304 1 3 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.753 1.232 19833 305 1 3 . 1 1 14 14 ALA H H 14 8.276 8.276 8.235 0.041 19833 306 1 3 . 1 1 15 15 SER N N 15 112.747 112.747 112.220 0.527 19833 307 1 3 . 1 1 15 15 SER HA H 15 4.306 4.306 3.970 0.336 19833 308 1 3 . 1 1 15 15 SER CA C 15 59.618 59.618 61.195 -1.577 19833 309 1 3 . 1 1 15 15 SER CB C 15 63.522 63.522 63.194 0.328 19833 310 1 3 . 1 1 15 15 SER H H 15 8.068 8.068 8.014 0.054 19833 311 1 3 . 1 1 16 16 HIS N N 16 119.224 119.224 120.364 -1.140 19833 312 1 3 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.441 0.266 19833 313 1 3 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.125 -1.437 19833 314 1 3 . 1 1 16 16 HIS H H 16 8.161 8.161 7.602 0.559 19833 315 1 3 . 1 1 17 17 LYS N N 17 120.978 120.978 118.463 2.515 19833 316 1 3 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.170 0.172 19833 317 1 3 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.142 -1.274 19833 318 1 3 . 1 1 17 17 LYS H H 17 8.083 8.083 8.208 -0.125 19833 319 1 3 . 1 1 18 18 LYS N N 18 121.764 121.764 116.800 4.964 19833 320 1 3 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.214 0.131 19833 321 1 3 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.586 0.081 19833 322 1 3 . 1 1 18 18 LYS H H 18 8.235 8.235 7.832 0.403 19833 323 1 3 . 1 1 19 19 LYS N N 19 122.420 122.420 119.211 3.209 19833 324 1 3 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.014 0.401 19833 325 1 3 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.971 -0.224 19833 326 1 3 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.669 2.778 19833 327 1 3 . 1 1 19 19 LYS H H 19 8.397 8.397 7.894 0.503 19833 328 1 3 . 1 1 20 20 THR N N 20 114.054 114.054 116.098 -2.044 19833 329 1 3 . 1 1 20 20 THR HA H 20 4.417 4.417 4.381 0.036 19833 330 1 3 . 1 1 20 20 THR CA C 20 61.883 61.883 60.553 1.330 19833 331 1 3 . 1 1 20 20 THR CB C 20 69.985 69.985 69.900 0.085 19833 332 1 3 . 1 1 20 20 THR H H 20 8.093 8.093 8.166 -0.073 19833 333 1 3 . 1 1 21 21 GLY N N 21 110.822 110.822 111.128 -0.306 19833 334 1 3 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.585 0.755 19833 335 1 3 . 1 1 21 21 GLY H H 21 8.360 8.360 8.322 0.038 19833 336 1 3 . 1 1 22 22 GLY N N 22 107.828 107.828 108.947 -1.119 19833 337 1 3 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.358 0.500 19833 338 1 3 . 1 1 22 22 GLY H H 22 8.144 8.144 7.361 0.783 19833 339 1 3 . 1 1 23 23 TYR N N 23 119.305 119.305 124.659 -5.354 19833 340 1 3 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.190 0.328 19833 341 1 3 . 1 1 23 23 TYR H H 23 7.871 7.871 8.184 -0.313 19833 342 1 3 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.392 -0.001 19833 343 1 3 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.569 0.079 19833 344 1 3 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.400 -0.696 19833 345 1 3 . 1 1 25 25 TRP N N 25 113.569 113.569 116.409 -2.840 19833 346 1 3 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.945 -0.555 19833 347 1 3 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.253 -0.624 19833 348 1 3 . 1 1 25 25 TRP H H 25 6.927 6.927 7.273 -0.346 19833 349 1 3 . 1 1 26 26 GLU N N 26 120.107 120.107 122.497 -2.390 19833 350 1 3 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.571 -0.102 19833 351 1 3 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.499 0.379 19833 352 1 3 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.105 0.836 19833 353 1 3 . 1 1 26 26 GLU H H 26 7.657 7.657 7.628 0.029 19833 354 1 3 . 1 1 27 27 ARG N N 27 120.913 120.913 119.251 1.662 19833 355 1 3 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.450 -0.085 19833 356 1 3 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.967 0.576 19833 357 1 3 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.212 0.694 19833 358 1 3 . 1 1 27 27 ARG H H 27 8.164 8.164 7.447 0.717 19833 359 1 3 . 1 1 28 28 GLY N N 28 109.371 109.371 107.849 1.522 19833 360 1 3 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.591 0.879 19833 361 1 3 . 1 1 28 28 GLY H H 28 8.487 8.487 8.043 0.444 19833 362 1 3 . 1 1 29 29 LYS N N 29 120.511 120.511 118.959 1.552 19833 363 1 3 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.914 0.503 19833 364 1 3 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.924 -0.869 19833 365 1 3 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.867 2.261 19833 366 1 3 . 1 1 29 29 LYS H H 29 8.116 8.116 8.203 -0.087 19833 367 1 4 . 1 1 2 2 LYS N N 2 124.507 124.507 123.011 1.496 19833 368 1 4 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.107 0.291 19833 369 1 4 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.444 -0.466 19833 370 1 4 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.191 0.929 19833 371 1 4 . 1 1 2 2 LYS H H 2 9.055 9.055 8.660 0.395 19833 372 1 4 . 1 1 3 3 THR N N 3 116.151 116.151 114.315 1.836 19833 373 1 4 . 1 1 3 3 THR HA H 3 4.228 4.228 4.528 -0.300 19833 374 1 4 . 1 1 3 3 THR CA C 3 64.622 64.622 60.124 4.498 19833 375 1 4 . 1 1 3 3 THR CB C 3 69.037 69.037 68.586 0.451 19833 376 1 4 . 1 1 3 3 THR H H 3 8.487 8.487 7.758 0.729 19833 377 1 4 . 1 1 4 4 ILE N N 4 121.254 121.254 123.373 -2.119 19833 378 1 4 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.045 0.075 19833 379 1 4 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.796 1.009 19833 380 1 4 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.975 0.157 19833 381 1 4 . 1 1 4 4 ILE H H 4 8.561 8.561 7.689 0.872 19833 382 1 4 . 1 1 5 5 LEU N N 5 119.718 119.718 119.462 0.256 19833 383 1 4 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.972 0.226 19833 384 1 4 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.043 -0.622 19833 385 1 4 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.971 0.296 19833 386 1 4 . 1 1 5 5 LEU H H 5 7.944 7.944 8.120 -0.176 19833 387 1 4 . 1 1 6 6 ARG N N 6 118.685 118.685 118.813 -0.128 19833 388 1 4 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.079 0.064 19833 389 1 4 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.245 0.620 19833 390 1 4 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.341 0.520 19833 391 1 4 . 1 1 6 6 ARG H H 6 8.013 8.013 7.763 0.250 19833 392 1 4 . 1 1 7 7 PHE N N 7 118.774 118.774 121.080 -2.306 19833 393 1 4 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.466 0.030 19833 394 1 4 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.478 -0.141 19833 395 1 4 . 1 1 7 7 PHE H H 7 7.950 7.950 7.812 0.138 19833 396 1 4 . 1 1 8 8 VAL N N 8 116.545 116.545 119.415 -2.870 19833 397 1 4 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.283 0.623 19833 398 1 4 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.316 -1.201 19833 399 1 4 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.884 1.189 19833 400 1 4 . 1 1 8 8 VAL H H 8 8.014 8.014 8.692 -0.678 19833 401 1 4 . 1 1 9 9 ALA N N 9 121.564 121.564 122.392 -0.828 19833 402 1 4 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.974 0.267 19833 403 1 4 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.715 -1.077 19833 404 1 4 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.896 0.751 19833 405 1 4 . 1 1 9 9 ALA H H 9 8.087 8.087 7.890 0.197 19833 406 1 4 . 1 1 10 10 GLY N N 10 104.760 104.760 105.334 -0.574 19833 407 1 4 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.475 -1.061 19833 408 1 4 . 1 1 10 10 GLY H H 10 8.143 8.143 7.832 0.311 19833 409 1 4 . 1 1 11 11 TYR N N 11 121.166 121.166 122.602 -1.436 19833 410 1 4 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.189 0.146 19833 411 1 4 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.523 -0.390 19833 412 1 4 . 1 1 11 11 TYR H H 11 8.010 8.010 7.517 0.493 19833 413 1 4 . 1 1 12 12 ASP N N 12 119.461 119.461 120.044 -0.583 19833 414 1 4 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.454 0.170 19833 415 1 4 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.112 -0.606 19833 416 1 4 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.769 -2.530 19833 417 1 4 . 1 1 12 12 ASP H H 12 8.416 8.416 8.573 -0.157 19833 418 1 4 . 1 1 13 13 ILE N N 13 120.538 120.538 119.728 0.810 19833 419 1 4 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.817 0.185 19833 420 1 4 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.537 -1.209 19833 421 1 4 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.244 0.368 19833 422 1 4 . 1 1 13 13 ILE H H 13 8.155 8.155 7.275 0.880 19833 423 1 4 . 1 1 14 14 ALA N N 14 123.708 123.708 122.094 1.614 19833 424 1 4 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.927 0.322 19833 425 1 4 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.447 -1.527 19833 426 1 4 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.914 1.071 19833 427 1 4 . 1 1 14 14 ALA H H 14 8.276 8.276 8.255 0.021 19833 428 1 4 . 1 1 15 15 SER N N 15 112.747 112.747 112.359 0.388 19833 429 1 4 . 1 1 15 15 SER HA H 15 4.306 4.306 3.981 0.325 19833 430 1 4 . 1 1 15 15 SER CA C 15 59.618 59.618 60.964 -1.346 19833 431 1 4 . 1 1 15 15 SER CB C 15 63.522 63.522 63.341 0.181 19833 432 1 4 . 1 1 15 15 SER H H 15 8.068 8.068 8.090 -0.022 19833 433 1 4 . 1 1 16 16 HIS N N 16 119.224 119.224 120.720 -1.496 19833 434 1 4 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.461 0.246 19833 435 1 4 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.022 -1.334 19833 436 1 4 . 1 1 16 16 HIS H H 16 8.161 8.161 7.617 0.544 19833 437 1 4 . 1 1 17 17 LYS N N 17 120.978 120.978 118.585 2.393 19833 438 1 4 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.284 0.058 19833 439 1 4 . 1 1 17 17 LYS CA C 17 56.868 56.868 57.836 -0.968 19833 440 1 4 . 1 1 17 17 LYS H H 17 8.083 8.083 8.082 0.001 19833 441 1 4 . 1 1 18 18 LYS N N 18 121.764 121.764 117.485 4.279 19833 442 1 4 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.218 0.127 19833 443 1 4 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.871 -0.204 19833 444 1 4 . 1 1 18 18 LYS H H 18 8.235 8.235 7.886 0.349 19833 445 1 4 . 1 1 19 19 LYS N N 19 122.420 122.420 119.007 3.413 19833 446 1 4 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.143 0.272 19833 447 1 4 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.942 -0.195 19833 448 1 4 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.369 2.078 19833 449 1 4 . 1 1 19 19 LYS H H 19 8.397 8.397 7.980 0.417 19833 450 1 4 . 1 1 20 20 THR N N 20 114.054 114.054 116.611 -2.557 19833 451 1 4 . 1 1 20 20 THR HA H 20 4.417 4.417 4.437 -0.020 19833 452 1 4 . 1 1 20 20 THR CA C 20 61.883 61.883 61.485 0.398 19833 453 1 4 . 1 1 20 20 THR CB C 20 69.985 69.985 70.041 -0.056 19833 454 1 4 . 1 1 20 20 THR H H 20 8.093 8.093 7.957 0.136 19833 455 1 4 . 1 1 21 21 GLY N N 21 110.822 110.822 112.621 -1.799 19833 456 1 4 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.377 -0.037 19833 457 1 4 . 1 1 21 21 GLY H H 21 8.360 8.360 8.466 -0.106 19833 458 1 4 . 1 1 22 22 GLY N N 22 107.828 107.828 108.245 -0.417 19833 459 1 4 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.316 -0.458 19833 460 1 4 . 1 1 22 22 GLY H H 22 8.144 8.144 8.020 0.124 19833 461 1 4 . 1 1 23 23 TYR N N 23 119.305 119.305 121.702 -2.397 19833 462 1 4 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.322 0.196 19833 463 1 4 . 1 1 23 23 TYR H H 23 7.871 7.871 8.151 -0.280 19833 464 1 4 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.405 -0.014 19833 465 1 4 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.458 0.190 19833 466 1 4 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.343 -0.639 19833 467 1 4 . 1 1 25 25 TRP N N 25 113.569 113.569 116.327 -2.758 19833 468 1 4 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.975 -0.585 19833 469 1 4 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.337 -0.708 19833 470 1 4 . 1 1 25 25 TRP H H 25 6.927 6.927 7.385 -0.458 19833 471 1 4 . 1 1 26 26 GLU N N 26 120.107 120.107 122.647 -2.540 19833 472 1 4 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.542 -0.073 19833 473 1 4 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.893 -0.015 19833 474 1 4 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.759 1.182 19833 475 1 4 . 1 1 26 26 GLU H H 26 7.657 7.657 7.741 -0.084 19833 476 1 4 . 1 1 27 27 ARG N N 27 120.913 120.913 118.816 2.097 19833 477 1 4 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.550 -0.185 19833 478 1 4 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.850 0.693 19833 479 1 4 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.894 1.012 19833 480 1 4 . 1 1 27 27 ARG H H 27 8.164 8.164 7.502 0.662 19833 481 1 4 . 1 1 28 28 GLY N N 28 109.371 109.371 110.636 -1.265 19833 482 1 4 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.259 0.211 19833 483 1 4 . 1 1 28 28 GLY H H 28 8.487 8.487 8.633 -0.146 19833 484 1 4 . 1 1 29 29 LYS N N 29 120.511 120.511 119.550 0.961 19833 485 1 4 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.630 -0.213 19833 486 1 4 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.539 0.516 19833 487 1 4 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.918 -0.790 19833 488 1 4 . 1 1 29 29 LYS H H 29 8.116 8.116 8.216 -0.100 19833 489 1 5 . 1 1 2 2 LYS N N 2 124.507 124.507 123.187 1.320 19833 490 1 5 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.238 0.160 19833 491 1 5 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.611 -0.633 19833 492 1 5 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.691 0.429 19833 493 1 5 . 1 1 2 2 LYS H H 2 9.055 9.055 8.425 0.630 19833 494 1 5 . 1 1 3 3 THR N N 3 116.151 116.151 113.557 2.594 19833 495 1 5 . 1 1 3 3 THR HA H 3 4.228 4.228 4.468 -0.240 19833 496 1 5 . 1 1 3 3 THR CA C 3 64.622 64.622 60.732 3.890 19833 497 1 5 . 1 1 3 3 THR CB C 3 69.037 69.037 68.606 0.431 19833 498 1 5 . 1 1 3 3 THR H H 3 8.487 8.487 7.989 0.498 19833 499 1 5 . 1 1 4 4 ILE N N 4 121.254 121.254 123.254 -2.000 19833 500 1 5 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.042 0.078 19833 501 1 5 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.638 1.167 19833 502 1 5 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.846 0.286 19833 503 1 5 . 1 1 4 4 ILE H H 4 8.561 8.561 7.550 1.011 19833 504 1 5 . 1 1 5 5 LEU N N 5 119.718 119.718 119.570 0.148 19833 505 1 5 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.968 0.230 19833 506 1 5 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.065 -0.644 19833 507 1 5 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.957 0.310 19833 508 1 5 . 1 1 5 5 LEU H H 5 7.944 7.944 8.099 -0.155 19833 509 1 5 . 1 1 6 6 ARG N N 6 118.685 118.685 118.833 -0.148 19833 510 1 5 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.083 0.060 19833 511 1 5 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.213 0.652 19833 512 1 5 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.311 0.550 19833 513 1 5 . 1 1 6 6 ARG H H 6 8.013 8.013 7.774 0.239 19833 514 1 5 . 1 1 7 7 PHE N N 7 118.774 118.774 121.152 -2.378 19833 515 1 5 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.486 0.010 19833 516 1 5 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.709 -0.372 19833 517 1 5 . 1 1 7 7 PHE H H 7 7.950 7.950 7.826 0.124 19833 518 1 5 . 1 1 8 8 VAL N N 8 116.545 116.545 118.936 -2.391 19833 519 1 5 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.297 0.609 19833 520 1 5 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.644 -0.529 19833 521 1 5 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.417 1.656 19833 522 1 5 . 1 1 8 8 VAL H H 8 8.014 8.014 8.747 -0.733 19833 523 1 5 . 1 1 9 9 ALA N N 9 121.564 121.564 122.510 -0.946 19833 524 1 5 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.015 0.226 19833 525 1 5 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.641 -1.003 19833 526 1 5 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.083 0.564 19833 527 1 5 . 1 1 9 9 ALA H H 9 8.087 8.087 7.932 0.155 19833 528 1 5 . 1 1 10 10 GLY N N 10 104.760 104.760 105.285 -0.525 19833 529 1 5 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.464 -1.050 19833 530 1 5 . 1 1 10 10 GLY H H 10 8.143 8.143 7.844 0.299 19833 531 1 5 . 1 1 11 11 TYR N N 11 121.166 121.166 122.664 -1.498 19833 532 1 5 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.149 0.186 19833 533 1 5 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.638 -0.506 19833 534 1 5 . 1 1 11 11 TYR H H 11 8.010 8.010 7.558 0.452 19833 535 1 5 . 1 1 12 12 ASP N N 12 119.461 119.461 119.980 -0.519 19833 536 1 5 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.451 0.173 19833 537 1 5 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.354 -0.848 19833 538 1 5 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.688 -2.450 19833 539 1 5 . 1 1 12 12 ASP H H 12 8.416 8.416 8.594 -0.178 19833 540 1 5 . 1 1 13 13 ILE N N 13 120.538 120.538 119.251 1.287 19833 541 1 5 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.943 0.059 19833 542 1 5 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.294 -0.966 19833 543 1 5 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.450 0.162 19833 544 1 5 . 1 1 13 13 ILE H H 13 8.155 8.155 7.178 0.977 19833 545 1 5 . 1 1 14 14 ALA N N 14 123.708 123.708 122.217 1.491 19833 546 1 5 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.909 0.340 19833 547 1 5 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.317 -1.397 19833 548 1 5 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.797 1.188 19833 549 1 5 . 1 1 14 14 ALA H H 14 8.276 8.276 8.200 0.076 19833 550 1 5 . 1 1 15 15 SER N N 15 112.747 112.747 112.409 0.338 19833 551 1 5 . 1 1 15 15 SER HA H 15 4.306 4.306 3.958 0.348 19833 552 1 5 . 1 1 15 15 SER CA C 15 59.618 59.618 60.956 -1.338 19833 553 1 5 . 1 1 15 15 SER CB C 15 63.522 63.522 63.131 0.391 19833 554 1 5 . 1 1 15 15 SER H H 15 8.068 8.068 8.065 0.003 19833 555 1 5 . 1 1 16 16 HIS N N 16 119.224 119.224 119.290 -0.066 19833 556 1 5 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.452 0.255 19833 557 1 5 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.140 -1.452 19833 558 1 5 . 1 1 16 16 HIS H H 16 8.161 8.161 7.695 0.466 19833 559 1 5 . 1 1 17 17 LYS N N 17 120.978 120.978 119.269 1.709 19833 560 1 5 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.065 0.277 19833 561 1 5 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.518 -1.650 19833 562 1 5 . 1 1 17 17 LYS H H 17 8.083 8.083 7.949 0.134 19833 563 1 5 . 1 1 18 18 LYS N N 18 121.764 121.764 117.064 4.700 19833 564 1 5 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.174 0.171 19833 565 1 5 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.874 -0.207 19833 566 1 5 . 1 1 18 18 LYS H H 18 8.235 8.235 7.823 0.412 19833 567 1 5 . 1 1 19 19 LYS N N 19 122.420 122.420 118.526 3.894 19833 568 1 5 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.059 0.356 19833 569 1 5 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.062 -0.315 19833 570 1 5 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.565 2.882 19833 571 1 5 . 1 1 19 19 LYS H H 19 8.397 8.397 7.903 0.494 19833 572 1 5 . 1 1 20 20 THR N N 20 114.054 114.054 115.030 -0.976 19833 573 1 5 . 1 1 20 20 THR HA H 20 4.417 4.417 4.468 -0.051 19833 574 1 5 . 1 1 20 20 THR CA C 20 61.883 61.883 59.807 2.076 19833 575 1 5 . 1 1 20 20 THR CB C 20 69.985 69.985 70.048 -0.063 19833 576 1 5 . 1 1 20 20 THR H H 20 8.093 8.093 7.940 0.153 19833 577 1 5 . 1 1 21 21 GLY N N 21 110.822 110.822 109.473 1.349 19833 578 1 5 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.707 0.633 19833 579 1 5 . 1 1 21 21 GLY H H 21 8.360 8.360 8.505 -0.145 19833 580 1 5 . 1 1 22 22 GLY N N 22 107.828 107.828 109.029 -1.201 19833 581 1 5 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.308 0.550 19833 582 1 5 . 1 1 22 22 GLY H H 22 8.144 8.144 7.701 0.443 19833 583 1 5 . 1 1 23 23 TYR N N 23 119.305 119.305 125.387 -6.082 19833 584 1 5 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.169 0.349 19833 585 1 5 . 1 1 23 23 TYR H H 23 7.871 7.871 8.321 -0.450 19833 586 1 5 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.416 -0.025 19833 587 1 5 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.580 0.068 19833 588 1 5 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.238 -0.534 19833 589 1 5 . 1 1 25 25 TRP N N 25 113.569 113.569 115.508 -1.939 19833 590 1 5 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.824 -0.434 19833 591 1 5 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.937 -0.308 19833 592 1 5 . 1 1 25 25 TRP H H 25 6.927 6.927 7.043 -0.116 19833 593 1 5 . 1 1 26 26 GLU N N 26 120.107 120.107 120.831 -0.724 19833 594 1 5 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.509 -0.040 19833 595 1 5 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.111 -0.234 19833 596 1 5 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.382 0.559 19833 597 1 5 . 1 1 26 26 GLU H H 26 7.657 7.657 7.365 0.292 19833 598 1 5 . 1 1 27 27 ARG N N 27 120.913 120.913 119.619 1.294 19833 599 1 5 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.506 -0.141 19833 600 1 5 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.890 0.653 19833 601 1 5 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.175 0.731 19833 602 1 5 . 1 1 27 27 ARG H H 27 8.164 8.164 8.162 0.002 19833 603 1 5 . 1 1 28 28 GLY N N 28 109.371 109.371 108.862 0.509 19833 604 1 5 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.529 0.942 19833 605 1 5 . 1 1 28 28 GLY H H 28 8.487 8.487 8.156 0.331 19833 606 1 5 . 1 1 29 29 LYS N N 29 120.511 120.511 118.677 1.834 19833 607 1 5 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.172 0.245 19833 608 1 5 . 1 1 29 29 LYS CA C 29 56.055 56.055 57.309 -1.254 19833 609 1 5 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.862 0.266 19833 610 1 5 . 1 1 29 29 LYS H H 29 8.116 8.116 8.408 -0.292 19833 611 1 6 . 1 1 2 2 LYS N N 2 124.507 124.507 121.024 3.483 19833 612 1 6 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.409 -0.011 19833 613 1 6 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.570 0.408 19833 614 1 6 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.980 0.140 19833 615 1 6 . 1 1 2 2 LYS H H 2 9.055 9.055 8.415 0.640 19833 616 1 6 . 1 1 3 3 THR N N 3 116.151 116.151 115.260 0.891 19833 617 1 6 . 1 1 3 3 THR HA H 3 4.228 4.228 4.460 -0.232 19833 618 1 6 . 1 1 3 3 THR CA C 3 64.622 64.622 60.689 3.933 19833 619 1 6 . 1 1 3 3 THR CB C 3 69.037 69.037 68.381 0.656 19833 620 1 6 . 1 1 3 3 THR H H 3 8.487 8.487 8.011 0.476 19833 621 1 6 . 1 1 4 4 ILE N N 4 121.254 121.254 122.933 -1.679 19833 622 1 6 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.064 0.056 19833 623 1 6 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.624 1.181 19833 624 1 6 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.887 0.245 19833 625 1 6 . 1 1 4 4 ILE H H 4 8.561 8.561 8.283 0.278 19833 626 1 6 . 1 1 5 5 LEU N N 5 119.718 119.718 119.683 0.035 19833 627 1 6 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.967 0.231 19833 628 1 6 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.105 -0.683 19833 629 1 6 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.940 0.327 19833 630 1 6 . 1 1 5 5 LEU H H 5 7.944 7.944 8.150 -0.206 19833 631 1 6 . 1 1 6 6 ARG N N 6 118.685 118.685 118.839 -0.154 19833 632 1 6 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.087 0.056 19833 633 1 6 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.219 0.645 19833 634 1 6 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.324 0.537 19833 635 1 6 . 1 1 6 6 ARG H H 6 8.013 8.013 7.767 0.246 19833 636 1 6 . 1 1 7 7 PHE N N 7 118.774 118.774 121.160 -2.386 19833 637 1 6 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.485 0.011 19833 638 1 6 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.707 -0.370 19833 639 1 6 . 1 1 7 7 PHE H H 7 7.950 7.950 7.829 0.121 19833 640 1 6 . 1 1 8 8 VAL N N 8 116.545 116.545 118.938 -2.393 19833 641 1 6 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.295 0.611 19833 642 1 6 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.658 -0.543 19833 643 1 6 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.418 1.655 19833 644 1 6 . 1 1 8 8 VAL H H 8 8.014 8.014 8.746 -0.732 19833 645 1 6 . 1 1 9 9 ALA N N 9 121.564 121.564 122.976 -1.412 19833 646 1 6 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.995 0.246 19833 647 1 6 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.481 -0.843 19833 648 1 6 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.034 0.613 19833 649 1 6 . 1 1 9 9 ALA H H 9 8.087 8.087 7.971 0.116 19833 650 1 6 . 1 1 10 10 GLY N N 10 104.760 104.760 105.330 -0.570 19833 651 1 6 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.475 -1.061 19833 652 1 6 . 1 1 10 10 GLY H H 10 8.143 8.143 7.834 0.309 19833 653 1 6 . 1 1 11 11 TYR N N 11 121.166 121.166 122.685 -1.519 19833 654 1 6 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.175 0.160 19833 655 1 6 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.606 -0.474 19833 656 1 6 . 1 1 11 11 TYR H H 11 8.010 8.010 7.535 0.475 19833 657 1 6 . 1 1 12 12 ASP N N 12 119.461 119.461 120.353 -0.892 19833 658 1 6 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.443 0.181 19833 659 1 6 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.493 -0.987 19833 660 1 6 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.626 -2.387 19833 661 1 6 . 1 1 12 12 ASP H H 12 8.416 8.416 8.662 -0.246 19833 662 1 6 . 1 1 13 13 ILE N N 13 120.538 120.538 119.538 1.000 19833 663 1 6 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.945 0.057 19833 664 1 6 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.564 -1.236 19833 665 1 6 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.204 0.408 19833 666 1 6 . 1 1 13 13 ILE H H 13 8.155 8.155 7.207 0.948 19833 667 1 6 . 1 1 14 14 ALA N N 14 123.708 123.708 122.323 1.385 19833 668 1 6 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.926 0.323 19833 669 1 6 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.365 -1.445 19833 670 1 6 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.789 1.196 19833 671 1 6 . 1 1 14 14 ALA H H 14 8.276 8.276 8.244 0.032 19833 672 1 6 . 1 1 15 15 SER N N 15 112.747 112.747 112.437 0.310 19833 673 1 6 . 1 1 15 15 SER HA H 15 4.306 4.306 3.959 0.347 19833 674 1 6 . 1 1 15 15 SER CA C 15 59.618 59.618 60.925 -1.307 19833 675 1 6 . 1 1 15 15 SER CB C 15 63.522 63.522 63.155 0.367 19833 676 1 6 . 1 1 15 15 SER H H 15 8.068 8.068 8.149 -0.081 19833 677 1 6 . 1 1 16 16 HIS N N 16 119.224 119.224 118.750 0.474 19833 678 1 6 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.446 0.261 19833 679 1 6 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.194 -1.506 19833 680 1 6 . 1 1 16 16 HIS H H 16 8.161 8.161 7.658 0.503 19833 681 1 6 . 1 1 17 17 LYS N N 17 120.978 120.978 119.375 1.603 19833 682 1 6 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.214 0.128 19833 683 1 6 . 1 1 17 17 LYS CA C 17 56.868 56.868 59.029 -2.160 19833 684 1 6 . 1 1 17 17 LYS H H 17 8.083 8.083 8.142 -0.059 19833 685 1 6 . 1 1 18 18 LYS N N 18 121.764 121.764 117.860 3.904 19833 686 1 6 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.213 0.132 19833 687 1 6 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.057 -0.390 19833 688 1 6 . 1 1 18 18 LYS H H 18 8.235 8.235 7.819 0.416 19833 689 1 6 . 1 1 19 19 LYS N N 19 122.420 122.420 119.652 2.768 19833 690 1 6 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.006 0.409 19833 691 1 6 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.118 -0.371 19833 692 1 6 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.657 2.790 19833 693 1 6 . 1 1 19 19 LYS H H 19 8.397 8.397 7.974 0.423 19833 694 1 6 . 1 1 20 20 THR N N 20 114.054 114.054 117.274 -3.220 19833 695 1 6 . 1 1 20 20 THR HA H 20 4.417 4.417 4.312 0.105 19833 696 1 6 . 1 1 20 20 THR CA C 20 61.883 61.883 61.516 0.367 19833 697 1 6 . 1 1 20 20 THR CB C 20 69.985 69.985 69.548 0.437 19833 698 1 6 . 1 1 20 20 THR H H 20 8.093 8.093 8.257 -0.164 19833 699 1 6 . 1 1 21 21 GLY N N 21 110.822 110.822 113.621 -2.799 19833 700 1 6 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.880 0.459 19833 701 1 6 . 1 1 21 21 GLY H H 21 8.360 8.360 8.406 -0.046 19833 702 1 6 . 1 1 22 22 GLY N N 22 107.828 107.828 107.823 0.005 19833 703 1 6 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.225 0.633 19833 704 1 6 . 1 1 22 22 GLY H H 22 8.144 8.144 7.706 0.438 19833 705 1 6 . 1 1 23 23 TYR N N 23 119.305 119.305 121.901 -2.596 19833 706 1 6 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.190 0.328 19833 707 1 6 . 1 1 23 23 TYR H H 23 7.871 7.871 8.048 -0.177 19833 708 1 6 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.388 0.003 19833 709 1 6 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.596 0.052 19833 710 1 6 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.371 -0.667 19833 711 1 6 . 1 1 25 25 TRP N N 25 113.569 113.569 116.906 -3.337 19833 712 1 6 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.913 -0.523 19833 713 1 6 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.812 -0.183 19833 714 1 6 . 1 1 25 25 TRP H H 25 6.927 6.927 7.184 -0.257 19833 715 1 6 . 1 1 26 26 GLU N N 26 120.107 120.107 121.102 -0.995 19833 716 1 6 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.548 -0.079 19833 717 1 6 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.183 -0.305 19833 718 1 6 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.344 0.597 19833 719 1 6 . 1 1 26 26 GLU H H 26 7.657 7.657 7.449 0.208 19833 720 1 6 . 1 1 27 27 ARG N N 27 120.913 120.913 119.162 1.751 19833 721 1 6 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.622 -0.257 19833 722 1 6 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.646 0.897 19833 723 1 6 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.506 0.400 19833 724 1 6 . 1 1 27 27 ARG H H 27 8.164 8.164 7.372 0.792 19833 725 1 6 . 1 1 28 28 GLY N N 28 109.371 109.371 108.073 1.298 19833 726 1 6 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.628 0.842 19833 727 1 6 . 1 1 28 28 GLY H H 28 8.487 8.487 8.178 0.309 19833 728 1 6 . 1 1 29 29 LYS N N 29 120.511 120.511 119.357 1.154 19833 729 1 6 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.998 0.419 19833 730 1 6 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.428 -0.374 19833 731 1 6 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.746 2.382 19833 732 1 6 . 1 1 29 29 LYS H H 29 8.116 8.116 7.943 0.173 19833 733 1 7 . 1 1 2 2 LYS N N 2 124.507 124.507 122.630 1.877 19833 734 1 7 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.072 0.326 19833 735 1 7 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.722 -0.744 19833 736 1 7 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.316 0.805 19833 737 1 7 . 1 1 2 2 LYS H H 2 9.055 9.055 8.658 0.397 19833 738 1 7 . 1 1 3 3 THR N N 3 116.151 116.151 113.669 2.482 19833 739 1 7 . 1 1 3 3 THR HA H 3 4.228 4.228 4.566 -0.338 19833 740 1 7 . 1 1 3 3 THR CA C 3 64.622 64.622 59.925 4.697 19833 741 1 7 . 1 1 3 3 THR CB C 3 69.037 69.037 69.161 -0.124 19833 742 1 7 . 1 1 3 3 THR H H 3 8.487 8.487 7.730 0.757 19833 743 1 7 . 1 1 4 4 ILE N N 4 121.254 121.254 123.413 -2.159 19833 744 1 7 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.027 0.093 19833 745 1 7 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.852 0.953 19833 746 1 7 . 1 1 4 4 ILE CB C 4 38.132 38.132 38.048 0.084 19833 747 1 7 . 1 1 4 4 ILE H H 4 8.561 8.561 8.088 0.473 19833 748 1 7 . 1 1 5 5 LEU N N 5 119.718 119.718 119.316 0.402 19833 749 1 7 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.984 0.214 19833 750 1 7 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.003 -0.582 19833 751 1 7 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.998 0.269 19833 752 1 7 . 1 1 5 5 LEU H H 5 7.944 7.944 8.091 -0.147 19833 753 1 7 . 1 1 6 6 ARG N N 6 118.685 118.685 118.818 -0.133 19833 754 1 7 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.086 0.057 19833 755 1 7 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.250 0.615 19833 756 1 7 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.342 0.519 19833 757 1 7 . 1 1 6 6 ARG H H 6 8.013 8.013 7.776 0.237 19833 758 1 7 . 1 1 7 7 PHE N N 7 118.774 118.774 121.140 -2.366 19833 759 1 7 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.436 0.060 19833 760 1 7 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.706 -0.369 19833 761 1 7 . 1 1 7 7 PHE H H 7 7.950 7.950 7.804 0.146 19833 762 1 7 . 1 1 8 8 VAL N N 8 116.545 116.545 118.991 -2.446 19833 763 1 7 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.210 0.696 19833 764 1 7 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.167 -1.052 19833 765 1 7 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.291 0.782 19833 766 1 7 . 1 1 8 8 VAL H H 8 8.014 8.014 8.789 -0.775 19833 767 1 7 . 1 1 9 9 ALA N N 9 121.564 121.564 122.392 -0.828 19833 768 1 7 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.006 0.235 19833 769 1 7 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.699 -1.061 19833 770 1 7 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.947 0.700 19833 771 1 7 . 1 1 9 9 ALA H H 9 8.087 8.087 7.911 0.176 19833 772 1 7 . 1 1 10 10 GLY N N 10 104.760 104.760 105.295 -0.535 19833 773 1 7 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.469 -1.055 19833 774 1 7 . 1 1 10 10 GLY H H 10 8.143 8.143 7.858 0.285 19833 775 1 7 . 1 1 11 11 TYR N N 11 121.166 121.166 122.580 -1.414 19833 776 1 7 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.143 0.192 19833 777 1 7 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.694 -0.562 19833 778 1 7 . 1 1 11 11 TYR H H 11 8.010 8.010 7.570 0.440 19833 779 1 7 . 1 1 12 12 ASP N N 12 119.461 119.461 120.049 -0.588 19833 780 1 7 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.448 0.176 19833 781 1 7 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.643 -1.137 19833 782 1 7 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.796 -2.557 19833 783 1 7 . 1 1 12 12 ASP H H 12 8.416 8.416 8.552 -0.136 19833 784 1 7 . 1 1 13 13 ILE N N 13 120.538 120.538 119.377 1.161 19833 785 1 7 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.983 0.019 19833 786 1 7 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.335 -1.006 19833 787 1 7 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.482 0.130 19833 788 1 7 . 1 1 13 13 ILE H H 13 8.155 8.155 7.198 0.957 19833 789 1 7 . 1 1 14 14 ALA N N 14 123.708 123.708 122.175 1.533 19833 790 1 7 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.900 0.349 19833 791 1 7 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.322 -1.402 19833 792 1 7 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.789 1.196 19833 793 1 7 . 1 1 14 14 ALA H H 14 8.276 8.276 8.266 0.010 19833 794 1 7 . 1 1 15 15 SER N N 15 112.747 112.747 112.443 0.304 19833 795 1 7 . 1 1 15 15 SER HA H 15 4.306 4.306 3.979 0.327 19833 796 1 7 . 1 1 15 15 SER CA C 15 59.618 59.618 60.761 -1.143 19833 797 1 7 . 1 1 15 15 SER CB C 15 63.522 63.522 62.987 0.535 19833 798 1 7 . 1 1 15 15 SER H H 15 8.068 8.068 8.037 0.031 19833 799 1 7 . 1 1 16 16 HIS N N 16 119.224 119.224 120.169 -0.945 19833 800 1 7 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.451 0.256 19833 801 1 7 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.122 -1.434 19833 802 1 7 . 1 1 16 16 HIS H H 16 8.161 8.161 7.664 0.497 19833 803 1 7 . 1 1 17 17 LYS N N 17 120.978 120.978 118.509 2.469 19833 804 1 7 . 1 1 17 17 LYS HA H 17 4.342 4.342 3.994 0.348 19833 805 1 7 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.588 -1.720 19833 806 1 7 . 1 1 17 17 LYS H H 17 8.083 8.083 7.945 0.138 19833 807 1 7 . 1 1 18 18 LYS N N 18 121.764 121.764 117.642 4.122 19833 808 1 7 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.216 0.129 19833 809 1 7 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.177 -0.510 19833 810 1 7 . 1 1 18 18 LYS H H 18 8.235 8.235 7.864 0.371 19833 811 1 7 . 1 1 19 19 LYS N N 19 122.420 122.420 119.302 3.118 19833 812 1 7 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.037 0.378 19833 813 1 7 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.971 -0.224 19833 814 1 7 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.933 2.514 19833 815 1 7 . 1 1 19 19 LYS H H 19 8.397 8.397 7.968 0.429 19833 816 1 7 . 1 1 20 20 THR N N 20 114.054 114.054 117.841 -3.787 19833 817 1 7 . 1 1 20 20 THR HA H 20 4.417 4.417 4.220 0.197 19833 818 1 7 . 1 1 20 20 THR CA C 20 61.883 61.883 61.636 0.247 19833 819 1 7 . 1 1 20 20 THR CB C 20 69.985 69.985 69.965 0.020 19833 820 1 7 . 1 1 20 20 THR H H 20 8.093 8.093 8.264 -0.171 19833 821 1 7 . 1 1 21 21 GLY N N 21 110.822 110.822 112.174 -1.352 19833 822 1 7 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.775 0.565 19833 823 1 7 . 1 1 21 21 GLY H H 21 8.360 8.360 8.268 0.092 19833 824 1 7 . 1 1 22 22 GLY N N 22 107.828 107.828 110.707 -2.879 19833 825 1 7 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.650 0.208 19833 826 1 7 . 1 1 22 22 GLY H H 22 8.144 8.144 8.126 0.018 19833 827 1 7 . 1 1 23 23 TYR N N 23 119.305 119.305 124.375 -5.070 19833 828 1 7 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.178 0.340 19833 829 1 7 . 1 1 23 23 TYR H H 23 7.871 7.871 8.174 -0.303 19833 830 1 7 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.410 -0.019 19833 831 1 7 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.597 0.051 19833 832 1 7 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.286 -0.582 19833 833 1 7 . 1 1 25 25 TRP N N 25 113.569 113.569 116.988 -3.419 19833 834 1 7 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.910 -0.520 19833 835 1 7 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.096 -0.467 19833 836 1 7 . 1 1 25 25 TRP H H 25 6.927 6.927 7.302 -0.375 19833 837 1 7 . 1 1 26 26 GLU N N 26 120.107 120.107 122.326 -2.219 19833 838 1 7 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.569 -0.100 19833 839 1 7 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.114 -0.236 19833 840 1 7 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.708 1.233 19833 841 1 7 . 1 1 26 26 GLU H H 26 7.657 7.657 7.558 0.099 19833 842 1 7 . 1 1 27 27 ARG N N 27 120.913 120.913 120.593 0.320 19833 843 1 7 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.497 -0.132 19833 844 1 7 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.383 1.160 19833 845 1 7 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.240 0.666 19833 846 1 7 . 1 1 27 27 ARG H H 27 8.164 8.164 7.504 0.660 19833 847 1 7 . 1 1 28 28 GLY N N 28 109.371 109.371 108.848 0.523 19833 848 1 7 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.128 0.342 19833 849 1 7 . 1 1 28 28 GLY H H 28 8.487 8.487 8.551 -0.064 19833 850 1 7 . 1 1 29 29 LYS N N 29 120.511 120.511 119.182 1.329 19833 851 1 7 . 1 1 29 29 LYS HA H 29 4.417 4.417 3.955 0.462 19833 852 1 7 . 1 1 29 29 LYS CA C 29 56.055 56.055 57.068 -1.013 19833 853 1 7 . 1 1 29 29 LYS CB C 29 33.128 33.128 31.444 1.684 19833 854 1 7 . 1 1 29 29 LYS H H 29 8.116 8.116 8.303 -0.187 19833 855 1 8 . 1 1 2 2 LYS N N 2 124.507 124.507 121.095 3.412 19833 856 1 8 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.374 0.024 19833 857 1 8 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.012 -0.034 19833 858 1 8 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.826 0.294 19833 859 1 8 . 1 1 2 2 LYS H H 2 9.055 9.055 8.510 0.545 19833 860 1 8 . 1 1 3 3 THR N N 3 116.151 116.151 113.839 2.312 19833 861 1 8 . 1 1 3 3 THR HA H 3 4.228 4.228 4.533 -0.305 19833 862 1 8 . 1 1 3 3 THR CA C 3 64.622 64.622 60.494 4.128 19833 863 1 8 . 1 1 3 3 THR CB C 3 69.037 69.037 69.031 0.007 19833 864 1 8 . 1 1 3 3 THR H H 3 8.487 8.487 8.173 0.314 19833 865 1 8 . 1 1 4 4 ILE N N 4 121.254 121.254 122.813 -1.559 19833 866 1 8 . 1 1 4 4 ILE HA H 4 4.120 4.120 3.993 0.127 19833 867 1 8 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.791 1.014 19833 868 1 8 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.991 0.141 19833 869 1 8 . 1 1 4 4 ILE H H 4 8.561 8.561 7.968 0.593 19833 870 1 8 . 1 1 5 5 LEU N N 5 119.718 119.718 119.415 0.303 19833 871 1 8 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.978 0.220 19833 872 1 8 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.002 -0.581 19833 873 1 8 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.995 0.272 19833 874 1 8 . 1 1 5 5 LEU H H 5 7.944 7.944 8.120 -0.176 19833 875 1 8 . 1 1 6 6 ARG N N 6 118.685 118.685 118.786 -0.101 19833 876 1 8 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.084 0.059 19833 877 1 8 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.223 0.642 19833 878 1 8 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.309 0.551 19833 879 1 8 . 1 1 6 6 ARG H H 6 8.013 8.013 7.774 0.239 19833 880 1 8 . 1 1 7 7 PHE N N 7 118.774 118.774 121.179 -2.405 19833 881 1 8 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.481 0.015 19833 882 1 8 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.709 -0.372 19833 883 1 8 . 1 1 7 7 PHE H H 7 7.950 7.950 7.826 0.124 19833 884 1 8 . 1 1 8 8 VAL N N 8 116.545 116.545 118.926 -2.381 19833 885 1 8 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.290 0.616 19833 886 1 8 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.649 -0.534 19833 887 1 8 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.413 1.660 19833 888 1 8 . 1 1 8 8 VAL H H 8 8.014 8.014 8.742 -0.728 19833 889 1 8 . 1 1 9 9 ALA N N 9 121.564 121.564 122.484 -0.920 19833 890 1 8 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.021 0.220 19833 891 1 8 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.648 -1.010 19833 892 1 8 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.082 0.565 19833 893 1 8 . 1 1 9 9 ALA H H 9 8.087 8.087 7.936 0.151 19833 894 1 8 . 1 1 10 10 GLY N N 10 104.760 104.760 105.325 -0.565 19833 895 1 8 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.474 -1.060 19833 896 1 8 . 1 1 10 10 GLY H H 10 8.143 8.143 7.834 0.309 19833 897 1 8 . 1 1 11 11 TYR N N 11 121.166 121.166 122.590 -1.424 19833 898 1 8 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.176 0.159 19833 899 1 8 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.459 -0.327 19833 900 1 8 . 1 1 11 11 TYR H H 11 8.010 8.010 7.510 0.500 19833 901 1 8 . 1 1 12 12 ASP N N 12 119.461 119.461 119.884 -0.423 19833 902 1 8 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.447 0.177 19833 903 1 8 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.270 -0.764 19833 904 1 8 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.933 -2.694 19833 905 1 8 . 1 1 12 12 ASP H H 12 8.416 8.416 8.589 -0.173 19833 906 1 8 . 1 1 13 13 ILE N N 13 120.538 120.538 119.497 1.041 19833 907 1 8 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.988 0.014 19833 908 1 8 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.266 -0.938 19833 909 1 8 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.436 0.176 19833 910 1 8 . 1 1 13 13 ILE H H 13 8.155 8.155 7.204 0.951 19833 911 1 8 . 1 1 14 14 ALA N N 14 123.708 123.708 122.418 1.290 19833 912 1 8 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.970 0.279 19833 913 1 8 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.432 -1.512 19833 914 1 8 . 1 1 14 14 ALA CB C 14 18.985 18.985 18.088 0.897 19833 915 1 8 . 1 1 14 14 ALA H H 14 8.276 8.276 8.388 -0.112 19833 916 1 8 . 1 1 15 15 SER N N 15 112.747 112.747 113.335 -0.588 19833 917 1 8 . 1 1 15 15 SER HA H 15 4.306 4.306 4.025 0.281 19833 918 1 8 . 1 1 15 15 SER CA C 15 59.618 59.618 61.680 -2.062 19833 919 1 8 . 1 1 15 15 SER CB C 15 63.522 63.522 62.650 0.872 19833 920 1 8 . 1 1 15 15 SER H H 15 8.068 8.068 8.164 -0.096 19833 921 1 8 . 1 1 16 16 HIS N N 16 119.224 119.224 121.619 -2.395 19833 922 1 8 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.369 0.338 19833 923 1 8 . 1 1 16 16 HIS CB C 16 28.688 28.688 29.956 -1.268 19833 924 1 8 . 1 1 16 16 HIS H H 16 8.161 8.161 7.557 0.604 19833 925 1 8 . 1 1 17 17 LYS N N 17 120.978 120.978 118.271 2.707 19833 926 1 8 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.208 0.134 19833 927 1 8 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.191 -1.323 19833 928 1 8 . 1 1 17 17 LYS H H 17 8.083 8.083 7.895 0.188 19833 929 1 8 . 1 1 18 18 LYS N N 18 121.764 121.764 118.333 3.431 19833 930 1 8 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.175 0.170 19833 931 1 8 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.281 -0.614 19833 932 1 8 . 1 1 18 18 LYS H H 18 8.235 8.235 7.846 0.389 19833 933 1 8 . 1 1 19 19 LYS N N 19 122.420 122.420 119.967 2.453 19833 934 1 8 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.066 0.349 19833 935 1 8 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.148 -0.401 19833 936 1 8 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.311 2.136 19833 937 1 8 . 1 1 19 19 LYS H H 19 8.397 8.397 7.961 0.436 19833 938 1 8 . 1 1 20 20 THR N N 20 114.054 114.054 117.811 -3.757 19833 939 1 8 . 1 1 20 20 THR HA H 20 4.417 4.417 4.408 0.009 19833 940 1 8 . 1 1 20 20 THR CA C 20 61.883 61.883 62.213 -0.330 19833 941 1 8 . 1 1 20 20 THR CB C 20 69.985 69.985 69.875 0.110 19833 942 1 8 . 1 1 20 20 THR H H 20 8.093 8.093 8.137 -0.044 19833 943 1 8 . 1 1 21 21 GLY N N 21 110.822 110.822 114.997 -4.175 19833 944 1 8 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.165 0.175 19833 945 1 8 . 1 1 21 21 GLY H H 21 8.360 8.360 8.645 -0.285 19833 946 1 8 . 1 1 22 22 GLY N N 22 107.828 107.828 109.772 -1.944 19833 947 1 8 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.430 0.428 19833 948 1 8 . 1 1 22 22 GLY H H 22 8.144 8.144 8.401 -0.257 19833 949 1 8 . 1 1 23 23 TYR N N 23 119.305 119.305 120.609 -1.304 19833 950 1 8 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.219 0.299 19833 951 1 8 . 1 1 23 23 TYR H H 23 7.871 7.871 8.033 -0.162 19833 952 1 8 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.412 -0.021 19833 953 1 8 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.421 0.227 19833 954 1 8 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.402 -0.698 19833 955 1 8 . 1 1 25 25 TRP N N 25 113.569 113.569 115.587 -2.018 19833 956 1 8 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.942 -0.552 19833 957 1 8 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.432 -0.803 19833 958 1 8 . 1 1 25 25 TRP H H 25 6.927 6.927 7.288 -0.361 19833 959 1 8 . 1 1 26 26 GLU N N 26 120.107 120.107 122.545 -2.438 19833 960 1 8 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.535 -0.066 19833 961 1 8 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.676 0.202 19833 962 1 8 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.802 1.139 19833 963 1 8 . 1 1 26 26 GLU H H 26 7.657 7.657 7.675 -0.018 19833 964 1 8 . 1 1 27 27 ARG N N 27 120.913 120.913 120.371 0.542 19833 965 1 8 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.358 0.007 19833 966 1 8 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.207 0.336 19833 967 1 8 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.544 1.362 19833 968 1 8 . 1 1 27 27 ARG H H 27 8.164 8.164 7.390 0.774 19833 969 1 8 . 1 1 28 28 GLY N N 28 109.371 109.371 107.355 2.016 19833 970 1 8 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.289 0.180 19833 971 1 8 . 1 1 28 28 GLY H H 28 8.487 8.487 8.518 -0.031 19833 972 1 8 . 1 1 29 29 LYS N N 29 120.511 120.511 119.373 1.138 19833 973 1 8 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.463 -0.046 19833 974 1 8 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.190 -0.135 19833 975 1 8 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.385 -0.257 19833 976 1 8 . 1 1 29 29 LYS H H 29 8.116 8.116 8.346 -0.230 19833 977 1 9 . 1 1 2 2 LYS N N 2 124.507 124.507 123.255 1.252 19833 978 1 9 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.362 0.036 19833 979 1 9 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.686 0.292 19833 980 1 9 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.858 0.262 19833 981 1 9 . 1 1 2 2 LYS H H 2 9.055 9.055 8.462 0.593 19833 982 1 9 . 1 1 3 3 THR N N 3 116.151 116.151 115.446 0.705 19833 983 1 9 . 1 1 3 3 THR HA H 3 4.228 4.228 4.472 -0.244 19833 984 1 9 . 1 1 3 3 THR CA C 3 64.622 64.622 60.649 3.973 19833 985 1 9 . 1 1 3 3 THR CB C 3 69.037 69.037 68.174 0.863 19833 986 1 9 . 1 1 3 3 THR H H 3 8.487 8.487 8.054 0.433 19833 987 1 9 . 1 1 4 4 ILE N N 4 121.254 121.254 123.249 -1.995 19833 988 1 9 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.046 0.074 19833 989 1 9 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.640 1.165 19833 990 1 9 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.825 0.307 19833 991 1 9 . 1 1 4 4 ILE H H 4 8.561 8.561 8.069 0.492 19833 992 1 9 . 1 1 5 5 LEU N N 5 119.718 119.718 119.616 0.102 19833 993 1 9 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.966 0.232 19833 994 1 9 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.072 -0.651 19833 995 1 9 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.955 0.312 19833 996 1 9 . 1 1 5 5 LEU H H 5 7.944 7.944 8.141 -0.197 19833 997 1 9 . 1 1 6 6 ARG N N 6 118.685 118.685 118.805 -0.120 19833 998 1 9 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.083 0.060 19833 999 1 9 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.213 0.652 19833 1000 1 9 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.307 0.554 19833 1001 1 9 . 1 1 6 6 ARG H H 6 8.013 8.013 7.764 0.249 19833 1002 1 9 . 1 1 7 7 PHE N N 7 118.774 118.774 121.143 -2.369 19833 1003 1 9 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.439 0.057 19833 1004 1 9 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.712 -0.375 19833 1005 1 9 . 1 1 7 7 PHE H H 7 7.950 7.950 7.803 0.147 19833 1006 1 9 . 1 1 8 8 VAL N N 8 116.545 116.545 118.993 -2.448 19833 1007 1 9 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.209 0.697 19833 1008 1 9 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.159 -1.044 19833 1009 1 9 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.286 0.787 19833 1010 1 9 . 1 1 8 8 VAL H H 8 8.014 8.014 8.788 -0.774 19833 1011 1 9 . 1 1 9 9 ALA N N 9 121.564 121.564 122.410 -0.846 19833 1012 1 9 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.996 0.245 19833 1013 1 9 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.692 -1.054 19833 1014 1 9 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.944 0.703 19833 1015 1 9 . 1 1 9 9 ALA H H 9 8.087 8.087 7.903 0.184 19833 1016 1 9 . 1 1 10 10 GLY N N 10 104.760 104.760 105.285 -0.525 19833 1017 1 9 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.462 -1.048 19833 1018 1 9 . 1 1 10 10 GLY H H 10 8.143 8.143 7.864 0.279 19833 1019 1 9 . 1 1 11 11 TYR N N 11 121.166 121.166 122.638 -1.472 19833 1020 1 9 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.134 0.201 19833 1021 1 9 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.647 -0.515 19833 1022 1 9 . 1 1 11 11 TYR H H 11 8.010 8.010 7.567 0.443 19833 1023 1 9 . 1 1 12 12 ASP N N 12 119.461 119.461 119.324 0.137 19833 1024 1 9 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.475 0.149 19833 1025 1 9 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.243 -0.737 19833 1026 1 9 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.891 -2.652 19833 1027 1 9 . 1 1 12 12 ASP H H 12 8.416 8.416 8.472 -0.056 19833 1028 1 9 . 1 1 13 13 ILE N N 13 120.538 120.538 118.216 2.322 19833 1029 1 9 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.965 0.037 19833 1030 1 9 . 1 1 13 13 ILE CA C 13 63.328 63.328 63.967 -0.639 19833 1031 1 9 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.499 0.113 19833 1032 1 9 . 1 1 13 13 ILE H H 13 8.155 8.155 7.126 1.029 19833 1033 1 9 . 1 1 14 14 ALA N N 14 123.708 123.708 122.236 1.472 19833 1034 1 9 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.951 0.298 19833 1035 1 9 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.400 -1.480 19833 1036 1 9 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.959 1.026 19833 1037 1 9 . 1 1 14 14 ALA H H 14 8.276 8.276 8.277 -0.001 19833 1038 1 9 . 1 1 15 15 SER N N 15 112.747 112.747 112.321 0.426 19833 1039 1 9 . 1 1 15 15 SER HA H 15 4.306 4.306 3.946 0.360 19833 1040 1 9 . 1 1 15 15 SER CA C 15 59.618 59.618 60.882 -1.264 19833 1041 1 9 . 1 1 15 15 SER CB C 15 63.522 63.522 63.201 0.321 19833 1042 1 9 . 1 1 15 15 SER H H 15 8.068 8.068 8.124 -0.056 19833 1043 1 9 . 1 1 16 16 HIS N N 16 119.224 119.224 120.831 -1.607 19833 1044 1 9 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.493 0.214 19833 1045 1 9 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.030 -1.342 19833 1046 1 9 . 1 1 16 16 HIS H H 16 8.161 8.161 7.730 0.431 19833 1047 1 9 . 1 1 17 17 LYS N N 17 120.978 120.978 118.581 2.397 19833 1048 1 9 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.151 0.191 19833 1049 1 9 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.097 -1.229 19833 1050 1 9 . 1 1 17 17 LYS H H 17 8.083 8.083 8.017 0.066 19833 1051 1 9 . 1 1 18 18 LYS N N 18 121.764 121.764 117.057 4.707 19833 1052 1 9 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.207 0.138 19833 1053 1 9 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.770 -0.103 19833 1054 1 9 . 1 1 18 18 LYS H H 18 8.235 8.235 7.854 0.381 19833 1055 1 9 . 1 1 19 19 LYS N N 19 122.420 122.420 119.462 2.958 19833 1056 1 9 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.081 0.334 19833 1057 1 9 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.166 -0.419 19833 1058 1 9 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.992 2.455 19833 1059 1 9 . 1 1 19 19 LYS H H 19 8.397 8.397 7.874 0.523 19833 1060 1 9 . 1 1 20 20 THR N N 20 114.054 114.054 116.107 -2.053 19833 1061 1 9 . 1 1 20 20 THR HA H 20 4.417 4.417 4.377 0.040 19833 1062 1 9 . 1 1 20 20 THR CA C 20 61.883 61.883 61.386 0.497 19833 1063 1 9 . 1 1 20 20 THR CB C 20 69.985 69.985 69.688 0.297 19833 1064 1 9 . 1 1 20 20 THR H H 20 8.093 8.093 7.958 0.135 19833 1065 1 9 . 1 1 21 21 GLY N N 21 110.822 110.822 112.116 -1.294 19833 1066 1 9 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.537 -0.197 19833 1067 1 9 . 1 1 21 21 GLY H H 21 8.360 8.360 8.325 0.035 19833 1068 1 9 . 1 1 22 22 GLY N N 22 107.828 107.828 113.532 -5.704 19833 1069 1 9 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.568 0.290 19833 1070 1 9 . 1 1 22 22 GLY H H 22 8.144 8.144 7.925 0.219 19833 1071 1 9 . 1 1 23 23 TYR N N 23 119.305 119.305 124.436 -5.131 19833 1072 1 9 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.314 0.204 19833 1073 1 9 . 1 1 23 23 TYR H H 23 7.871 7.871 8.184 -0.313 19833 1074 1 9 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.395 -0.004 19833 1075 1 9 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.676 -0.028 19833 1076 1 9 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.194 -0.490 19833 1077 1 9 . 1 1 25 25 TRP N N 25 113.569 113.569 117.244 -3.675 19833 1078 1 9 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.927 -0.537 19833 1079 1 9 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.070 -0.441 19833 1080 1 9 . 1 1 25 25 TRP H H 25 6.927 6.927 7.331 -0.404 19833 1081 1 9 . 1 1 26 26 GLU N N 26 120.107 120.107 122.194 -2.087 19833 1082 1 9 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.572 -0.103 19833 1083 1 9 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.106 -0.228 19833 1084 1 9 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.005 0.937 19833 1085 1 9 . 1 1 26 26 GLU H H 26 7.657 7.657 7.464 0.193 19833 1086 1 9 . 1 1 27 27 ARG N N 27 120.913 120.913 119.503 1.410 19833 1087 1 9 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.457 -0.092 19833 1088 1 9 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.812 0.731 19833 1089 1 9 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.176 0.730 19833 1090 1 9 . 1 1 27 27 ARG H H 27 8.164 8.164 7.434 0.730 19833 1091 1 9 . 1 1 28 28 GLY N N 28 109.371 109.371 107.355 2.016 19833 1092 1 9 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.063 0.407 19833 1093 1 9 . 1 1 28 28 GLY H H 28 8.487 8.487 8.120 0.367 19833 1094 1 9 . 1 1 29 29 LYS N N 29 120.511 120.511 120.537 -0.026 19833 1095 1 9 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.585 -0.168 19833 1096 1 9 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.053 0.002 19833 1097 1 9 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.614 0.514 19833 1098 1 9 . 1 1 29 29 LYS H H 29 8.116 8.116 8.377 -0.261 19833 1099 1 10 . 1 1 2 2 LYS N N 2 124.507 124.507 122.296 2.211 19833 1100 1 10 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.178 0.220 19833 1101 1 10 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.582 -0.604 19833 1102 1 10 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.356 0.764 19833 1103 1 10 . 1 1 2 2 LYS H H 2 9.055 9.055 8.500 0.555 19833 1104 1 10 . 1 1 3 3 THR N N 3 116.151 116.151 114.373 1.778 19833 1105 1 10 . 1 1 3 3 THR HA H 3 4.228 4.228 4.465 -0.237 19833 1106 1 10 . 1 1 3 3 THR CA C 3 64.622 64.622 60.211 4.412 19833 1107 1 10 . 1 1 3 3 THR CB C 3 69.037 69.037 67.794 1.243 19833 1108 1 10 . 1 1 3 3 THR H H 3 8.487 8.487 7.967 0.520 19833 1109 1 10 . 1 1 4 4 ILE N N 4 121.254 121.254 123.378 -2.124 19833 1110 1 10 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.041 0.079 19833 1111 1 10 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.706 1.099 19833 1112 1 10 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.756 0.376 19833 1113 1 10 . 1 1 4 4 ILE H H 4 8.561 8.561 7.532 1.029 19833 1114 1 10 . 1 1 5 5 LEU N N 5 119.718 119.718 119.611 0.107 19833 1115 1 10 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.959 0.239 19833 1116 1 10 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.092 -0.671 19833 1117 1 10 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.935 0.332 19833 1118 1 10 . 1 1 5 5 LEU H H 5 7.944 7.944 8.139 -0.195 19833 1119 1 10 . 1 1 6 6 ARG N N 6 118.685 118.685 118.806 -0.121 19833 1120 1 10 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.078 0.065 19833 1121 1 10 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.227 0.638 19833 1122 1 10 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.321 0.540 19833 1123 1 10 . 1 1 6 6 ARG H H 6 8.013 8.013 7.767 0.246 19833 1124 1 10 . 1 1 7 7 PHE N N 7 118.774 118.774 121.164 -2.390 19833 1125 1 10 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.480 0.016 19833 1126 1 10 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.708 -0.371 19833 1127 1 10 . 1 1 7 7 PHE H H 7 7.950 7.950 7.824 0.126 19833 1128 1 10 . 1 1 8 8 VAL N N 8 116.545 116.545 118.929 -2.384 19833 1129 1 10 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.287 0.619 19833 1130 1 10 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.651 -0.536 19833 1131 1 10 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.407 1.666 19833 1132 1 10 . 1 1 8 8 VAL H H 8 8.014 8.014 8.740 -0.726 19833 1133 1 10 . 1 1 9 9 ALA N N 9 121.564 121.564 122.457 -0.893 19833 1134 1 10 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.000 0.241 19833 1135 1 10 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.624 -0.986 19833 1136 1 10 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.070 0.577 19833 1137 1 10 . 1 1 9 9 ALA H H 9 8.087 8.087 7.924 0.163 19833 1138 1 10 . 1 1 10 10 GLY N N 10 104.760 104.760 105.325 -0.565 19833 1139 1 10 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.464 -1.050 19833 1140 1 10 . 1 1 10 10 GLY H H 10 8.143 8.143 7.822 0.321 19833 1141 1 10 . 1 1 11 11 TYR N N 11 121.166 121.166 122.611 -1.445 19833 1142 1 10 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.138 0.197 19833 1143 1 10 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.642 -0.510 19833 1144 1 10 . 1 1 11 11 TYR H H 11 8.010 8.010 7.555 0.455 19833 1145 1 10 . 1 1 12 12 ASP N N 12 119.461 119.461 119.544 -0.083 19833 1146 1 10 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.437 0.187 19833 1147 1 10 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.111 -0.605 19833 1148 1 10 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.827 -2.588 19833 1149 1 10 . 1 1 12 12 ASP H H 12 8.416 8.416 8.533 -0.117 19833 1150 1 10 . 1 1 13 13 ILE N N 13 120.538 120.538 119.227 1.311 19833 1151 1 10 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.840 0.162 19833 1152 1 10 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.422 -1.094 19833 1153 1 10 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.389 0.223 19833 1154 1 10 . 1 1 13 13 ILE H H 13 8.155 8.155 7.166 0.989 19833 1155 1 10 . 1 1 14 14 ALA N N 14 123.708 123.708 122.217 1.491 19833 1156 1 10 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.950 0.299 19833 1157 1 10 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.389 -1.469 19833 1158 1 10 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.965 1.020 19833 1159 1 10 . 1 1 14 14 ALA H H 14 8.276 8.276 8.319 -0.043 19833 1160 1 10 . 1 1 15 15 SER N N 15 112.747 112.747 112.515 0.232 19833 1161 1 10 . 1 1 15 15 SER HA H 15 4.306 4.306 4.000 0.306 19833 1162 1 10 . 1 1 15 15 SER CA C 15 59.618 59.618 61.282 -1.664 19833 1163 1 10 . 1 1 15 15 SER CB C 15 63.522 63.522 63.254 0.268 19833 1164 1 10 . 1 1 15 15 SER H H 15 8.068 8.068 8.109 -0.041 19833 1165 1 10 . 1 1 16 16 HIS N N 16 119.224 119.224 120.781 -1.557 19833 1166 1 10 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.491 0.216 19833 1167 1 10 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.163 -1.475 19833 1168 1 10 . 1 1 16 16 HIS H H 16 8.161 8.161 7.653 0.508 19833 1169 1 10 . 1 1 17 17 LYS N N 17 120.978 120.978 118.306 2.672 19833 1170 1 10 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.189 0.153 19833 1171 1 10 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.175 -1.307 19833 1172 1 10 . 1 1 17 17 LYS H H 17 8.083 8.083 8.027 0.056 19833 1173 1 10 . 1 1 18 18 LYS N N 18 121.764 121.764 117.944 3.820 19833 1174 1 10 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.231 0.114 19833 1175 1 10 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.755 -0.088 19833 1176 1 10 . 1 1 18 18 LYS H H 18 8.235 8.235 7.784 0.451 19833 1177 1 10 . 1 1 19 19 LYS N N 19 122.420 122.420 120.200 2.220 19833 1178 1 10 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.033 0.382 19833 1179 1 10 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.229 -0.482 19833 1180 1 10 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.230 2.217 19833 1181 1 10 . 1 1 19 19 LYS H H 19 8.397 8.397 7.996 0.401 19833 1182 1 10 . 1 1 20 20 THR N N 20 114.054 114.054 116.063 -2.009 19833 1183 1 10 . 1 1 20 20 THR HA H 20 4.417 4.417 4.379 0.038 19833 1184 1 10 . 1 1 20 20 THR CA C 20 61.883 61.883 61.267 0.616 19833 1185 1 10 . 1 1 20 20 THR CB C 20 69.985 69.985 69.955 0.030 19833 1186 1 10 . 1 1 20 20 THR H H 20 8.093 8.093 7.840 0.253 19833 1187 1 10 . 1 1 21 21 GLY N N 21 110.822 110.822 111.739 -0.917 19833 1188 1 10 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.794 0.546 19833 1189 1 10 . 1 1 21 21 GLY H H 21 8.360 8.360 8.322 0.038 19833 1190 1 10 . 1 1 22 22 GLY N N 22 107.828 107.828 107.620 0.208 19833 1191 1 10 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.335 0.523 19833 1192 1 10 . 1 1 22 22 GLY H H 22 8.144 8.144 7.778 0.366 19833 1193 1 10 . 1 1 23 23 TYR N N 23 119.305 119.305 122.507 -3.202 19833 1194 1 10 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.187 0.331 19833 1195 1 10 . 1 1 23 23 TYR H H 23 7.871 7.871 8.056 -0.185 19833 1196 1 10 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.400 -0.009 19833 1197 1 10 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.545 0.103 19833 1198 1 10 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.385 -0.681 19833 1199 1 10 . 1 1 25 25 TRP N N 25 113.569 113.569 116.957 -3.388 19833 1200 1 10 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.914 -0.524 19833 1201 1 10 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.108 -0.479 19833 1202 1 10 . 1 1 25 25 TRP H H 25 6.927 6.927 7.305 -0.378 19833 1203 1 10 . 1 1 26 26 GLU N N 26 120.107 120.107 122.240 -2.133 19833 1204 1 10 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.564 -0.095 19833 1205 1 10 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.188 -0.310 19833 1206 1 10 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.716 1.224 19833 1207 1 10 . 1 1 26 26 GLU H H 26 7.657 7.657 7.542 0.115 19833 1208 1 10 . 1 1 27 27 ARG N N 27 120.913 120.913 119.785 1.128 19833 1209 1 10 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.527 -0.162 19833 1210 1 10 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.987 0.556 19833 1211 1 10 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.511 0.395 19833 1212 1 10 . 1 1 27 27 ARG H H 27 8.164 8.164 7.465 0.699 19833 1213 1 10 . 1 1 28 28 GLY N N 28 109.371 109.371 107.533 1.838 19833 1214 1 10 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.244 0.226 19833 1215 1 10 . 1 1 28 28 GLY H H 28 8.487 8.487 8.129 0.358 19833 1216 1 10 . 1 1 29 29 LYS N N 29 120.511 120.511 121.078 -0.567 19833 1217 1 10 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.665 -0.248 19833 1218 1 10 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.320 -0.265 19833 1219 1 10 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.994 -0.866 19833 1220 1 10 . 1 1 29 29 LYS H H 29 8.116 8.116 8.368 -0.252 19833 1221 1 11 . 1 1 2 2 LYS N N 2 124.507 124.507 121.641 2.866 19833 1222 1 11 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.515 -0.117 19833 1223 1 11 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.355 0.623 19833 1224 1 11 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.938 0.182 19833 1225 1 11 . 1 1 2 2 LYS H H 2 9.055 9.055 8.178 0.877 19833 1226 1 11 . 1 1 3 3 THR N N 3 116.151 116.151 116.005 0.146 19833 1227 1 11 . 1 1 3 3 THR HA H 3 4.228 4.228 4.518 -0.290 19833 1228 1 11 . 1 1 3 3 THR CA C 3 64.622 64.622 61.178 3.443 19833 1229 1 11 . 1 1 3 3 THR CB C 3 69.037 69.037 69.053 -0.016 19833 1230 1 11 . 1 1 3 3 THR H H 3 8.487 8.487 8.011 0.476 19833 1231 1 11 . 1 1 4 4 ILE N N 4 121.254 121.254 123.674 -2.420 19833 1232 1 11 . 1 1 4 4 ILE HA H 4 4.120 4.120 3.982 0.138 19833 1233 1 11 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.964 0.841 19833 1234 1 11 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.839 0.293 19833 1235 1 11 . 1 1 4 4 ILE H H 4 8.561 8.561 8.138 0.423 19833 1236 1 11 . 1 1 5 5 LEU N N 5 119.718 119.718 119.690 0.028 19833 1237 1 11 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.968 0.230 19833 1238 1 11 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.090 -0.669 19833 1239 1 11 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.947 0.320 19833 1240 1 11 . 1 1 5 5 LEU H H 5 7.944 7.944 8.135 -0.191 19833 1241 1 11 . 1 1 6 6 ARG N N 6 118.685 118.685 118.854 -0.169 19833 1242 1 11 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.089 0.054 19833 1243 1 11 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.229 0.636 19833 1244 1 11 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.332 0.529 19833 1245 1 11 . 1 1 6 6 ARG H H 6 8.013 8.013 7.780 0.233 19833 1246 1 11 . 1 1 7 7 PHE N N 7 118.774 118.774 121.077 -2.303 19833 1247 1 11 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.474 0.022 19833 1248 1 11 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.477 -0.140 19833 1249 1 11 . 1 1 7 7 PHE H H 7 7.950 7.950 7.818 0.132 19833 1250 1 11 . 1 1 8 8 VAL N N 8 116.545 116.545 119.410 -2.865 19833 1251 1 11 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.289 0.617 19833 1252 1 11 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.312 -1.197 19833 1253 1 11 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.890 1.183 19833 1254 1 11 . 1 1 8 8 VAL H H 8 8.014 8.014 8.694 -0.680 19833 1255 1 11 . 1 1 9 9 ALA N N 9 121.564 121.564 122.413 -0.849 19833 1256 1 11 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.004 0.237 19833 1257 1 11 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.728 -1.090 19833 1258 1 11 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.923 0.724 19833 1259 1 11 . 1 1 9 9 ALA H H 9 8.087 8.087 7.901 0.186 19833 1260 1 11 . 1 1 10 10 GLY N N 10 104.760 104.760 105.335 -0.575 19833 1261 1 11 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.481 -1.067 19833 1262 1 11 . 1 1 10 10 GLY H H 10 8.143 8.143 7.843 0.300 19833 1263 1 11 . 1 1 11 11 TYR N N 11 121.166 121.166 122.656 -1.490 19833 1264 1 11 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.146 0.189 19833 1265 1 11 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.663 -0.531 19833 1266 1 11 . 1 1 11 11 TYR H H 11 8.010 8.010 7.569 0.441 19833 1267 1 11 . 1 1 12 12 ASP N N 12 119.461 119.461 119.947 -0.486 19833 1268 1 11 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.466 0.158 19833 1269 1 11 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.452 -0.946 19833 1270 1 11 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.791 -2.552 19833 1271 1 11 . 1 1 12 12 ASP H H 12 8.416 8.416 8.650 -0.234 19833 1272 1 11 . 1 1 13 13 ILE N N 13 120.538 120.538 119.322 1.216 19833 1273 1 11 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.940 0.062 19833 1274 1 11 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.612 -1.284 19833 1275 1 11 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.235 0.377 19833 1276 1 11 . 1 1 13 13 ILE H H 13 8.155 8.155 7.201 0.954 19833 1277 1 11 . 1 1 14 14 ALA N N 14 123.708 123.708 122.255 1.453 19833 1278 1 11 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.950 0.299 19833 1279 1 11 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.375 -1.455 19833 1280 1 11 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.976 1.009 19833 1281 1 11 . 1 1 14 14 ALA H H 14 8.276 8.276 8.326 -0.050 19833 1282 1 11 . 1 1 15 15 SER N N 15 112.747 112.747 112.541 0.206 19833 1283 1 11 . 1 1 15 15 SER HA H 15 4.306 4.306 3.934 0.372 19833 1284 1 11 . 1 1 15 15 SER CA C 15 59.618 59.618 60.989 -1.371 19833 1285 1 11 . 1 1 15 15 SER CB C 15 63.522 63.522 63.192 0.330 19833 1286 1 11 . 1 1 15 15 SER H H 15 8.068 8.068 8.153 -0.085 19833 1287 1 11 . 1 1 16 16 HIS N N 16 119.224 119.224 121.465 -2.241 19833 1288 1 11 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.399 0.308 19833 1289 1 11 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.033 -1.345 19833 1290 1 11 . 1 1 16 16 HIS H H 16 8.161 8.161 7.682 0.479 19833 1291 1 11 . 1 1 17 17 LYS N N 17 120.978 120.978 119.189 1.789 19833 1292 1 11 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.135 0.207 19833 1293 1 11 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.782 -1.914 19833 1294 1 11 . 1 1 17 17 LYS H H 17 8.083 8.083 7.978 0.105 19833 1295 1 11 . 1 1 18 18 LYS N N 18 121.764 121.764 118.239 3.525 19833 1296 1 11 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.166 0.179 19833 1297 1 11 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.562 -0.895 19833 1298 1 11 . 1 1 18 18 LYS H H 18 8.235 8.235 7.916 0.319 19833 1299 1 11 . 1 1 19 19 LYS N N 19 122.420 122.420 119.441 2.979 19833 1300 1 11 . 1 1 19 19 LYS HA H 19 4.415 4.415 3.977 0.438 19833 1301 1 11 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.249 -0.502 19833 1302 1 11 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.991 2.456 19833 1303 1 11 . 1 1 19 19 LYS H H 19 8.397 8.397 7.992 0.405 19833 1304 1 11 . 1 1 20 20 THR N N 20 114.054 114.054 116.084 -2.030 19833 1305 1 11 . 1 1 20 20 THR HA H 20 4.417 4.417 4.339 0.078 19833 1306 1 11 . 1 1 20 20 THR CA C 20 61.883 61.883 61.389 0.494 19833 1307 1 11 . 1 1 20 20 THR CB C 20 69.985 69.985 69.720 0.265 19833 1308 1 11 . 1 1 20 20 THR H H 20 8.093 8.093 8.048 0.045 19833 1309 1 11 . 1 1 21 21 GLY N N 21 110.822 110.822 112.047 -1.225 19833 1310 1 11 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.790 -0.450 19833 1311 1 11 . 1 1 21 21 GLY H H 21 8.360 8.360 8.359 0.001 19833 1312 1 11 . 1 1 22 22 GLY N N 22 107.828 107.828 111.426 -3.598 19833 1313 1 11 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.776 -0.918 19833 1314 1 11 . 1 1 22 22 GLY H H 22 8.144 8.144 7.968 0.176 19833 1315 1 11 . 1 1 23 23 TYR N N 23 119.305 119.305 123.647 -4.342 19833 1316 1 11 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.090 0.428 19833 1317 1 11 . 1 1 23 23 TYR H H 23 7.871 7.871 8.023 -0.152 19833 1318 1 11 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.384 0.007 19833 1319 1 11 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.580 0.068 19833 1320 1 11 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.259 -0.555 19833 1321 1 11 . 1 1 25 25 TRP N N 25 113.569 113.569 117.150 -3.581 19833 1322 1 11 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.902 -0.512 19833 1323 1 11 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.100 -0.471 19833 1324 1 11 . 1 1 25 25 TRP H H 25 6.927 6.927 7.289 -0.362 19833 1325 1 11 . 1 1 26 26 GLU N N 26 120.107 120.107 122.568 -2.461 19833 1326 1 11 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.529 -0.060 19833 1327 1 11 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.036 -0.158 19833 1328 1 11 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.647 1.294 19833 1329 1 11 . 1 1 26 26 GLU H H 26 7.657 7.657 7.606 0.051 19833 1330 1 11 . 1 1 27 27 ARG N N 27 120.913 120.913 120.615 0.298 19833 1331 1 11 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.491 -0.126 19833 1332 1 11 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.324 1.219 19833 1333 1 11 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.276 0.630 19833 1334 1 11 . 1 1 27 27 ARG H H 27 8.164 8.164 7.524 0.640 19833 1335 1 11 . 1 1 28 28 GLY N N 28 109.371 109.371 109.218 0.153 19833 1336 1 11 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.389 0.081 19833 1337 1 11 . 1 1 28 28 GLY H H 28 8.487 8.487 8.390 0.097 19833 1338 1 11 . 1 1 29 29 LYS N N 29 120.511 120.511 122.900 -2.389 19833 1339 1 11 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.334 0.083 19833 1340 1 11 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.814 0.241 19833 1341 1 11 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.597 2.531 19833 1342 1 11 . 1 1 29 29 LYS H H 29 8.116 8.116 8.468 -0.352 19833 1343 1 12 . 1 1 2 2 LYS N N 2 124.507 124.507 122.372 2.135 19833 1344 1 12 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.219 0.179 19833 1345 1 12 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.983 -0.005 19833 1346 1 12 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.382 0.738 19833 1347 1 12 . 1 1 2 2 LYS H H 2 9.055 9.055 8.528 0.527 19833 1348 1 12 . 1 1 3 3 THR N N 3 116.151 116.151 115.652 0.499 19833 1349 1 12 . 1 1 3 3 THR HA H 3 4.228 4.228 4.499 -0.271 19833 1350 1 12 . 1 1 3 3 THR CA C 3 64.622 64.622 60.616 4.006 19833 1351 1 12 . 1 1 3 3 THR CB C 3 69.037 69.037 68.505 0.532 19833 1352 1 12 . 1 1 3 3 THR H H 3 8.487 8.487 7.929 0.558 19833 1353 1 12 . 1 1 4 4 ILE N N 4 121.254 121.254 123.326 -2.072 19833 1354 1 12 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.012 0.108 19833 1355 1 12 . 1 1 4 4 ILE CA C 4 63.805 63.805 63.004 0.801 19833 1356 1 12 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.946 0.186 19833 1357 1 12 . 1 1 4 4 ILE H H 4 8.561 8.561 7.976 0.585 19833 1358 1 12 . 1 1 5 5 LEU N N 5 119.718 119.718 119.540 0.178 19833 1359 1 12 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.967 0.231 19833 1360 1 12 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.047 -0.626 19833 1361 1 12 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.956 0.311 19833 1362 1 12 . 1 1 5 5 LEU H H 5 7.944 7.944 8.164 -0.220 19833 1363 1 12 . 1 1 6 6 ARG N N 6 118.685 118.685 118.810 -0.125 19833 1364 1 12 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.080 0.063 19833 1365 1 12 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.246 0.619 19833 1366 1 12 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.335 0.526 19833 1367 1 12 . 1 1 6 6 ARG H H 6 8.013 8.013 7.773 0.240 19833 1368 1 12 . 1 1 7 7 PHE N N 7 118.774 118.774 121.143 -2.369 19833 1369 1 12 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.436 0.060 19833 1370 1 12 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.710 -0.373 19833 1371 1 12 . 1 1 7 7 PHE H H 7 7.950 7.950 7.803 0.147 19833 1372 1 12 . 1 1 8 8 VAL N N 8 116.545 116.545 119.006 -2.461 19833 1373 1 12 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.204 0.702 19833 1374 1 12 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.184 -1.069 19833 1375 1 12 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.276 0.797 19833 1376 1 12 . 1 1 8 8 VAL H H 8 8.014 8.014 8.781 -0.767 19833 1377 1 12 . 1 1 9 9 ALA N N 9 121.564 121.564 122.334 -0.770 19833 1378 1 12 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.987 0.254 19833 1379 1 12 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.684 -1.046 19833 1380 1 12 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.923 0.724 19833 1381 1 12 . 1 1 9 9 ALA H H 9 8.087 8.087 7.910 0.177 19833 1382 1 12 . 1 1 10 10 GLY N N 10 104.760 104.760 105.330 -0.570 19833 1383 1 12 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.472 -1.058 19833 1384 1 12 . 1 1 10 10 GLY H H 10 8.143 8.143 7.829 0.314 19833 1385 1 12 . 1 1 11 11 TYR N N 11 121.166 121.166 122.678 -1.512 19833 1386 1 12 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.155 0.180 19833 1387 1 12 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.697 -0.565 19833 1388 1 12 . 1 1 11 11 TYR H H 11 8.010 8.010 7.558 0.452 19833 1389 1 12 . 1 1 12 12 ASP N N 12 119.461 119.461 119.641 -0.180 19833 1390 1 12 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.485 0.139 19833 1391 1 12 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.264 -0.758 19833 1392 1 12 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.723 -2.484 19833 1393 1 12 . 1 1 12 12 ASP H H 12 8.416 8.416 8.598 -0.182 19833 1394 1 12 . 1 1 13 13 ILE N N 13 120.538 120.538 119.259 1.279 19833 1395 1 12 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.818 0.184 19833 1396 1 12 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.458 -1.130 19833 1397 1 12 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.322 0.290 19833 1398 1 12 . 1 1 13 13 ILE H H 13 8.155 8.155 7.184 0.971 19833 1399 1 12 . 1 1 14 14 ALA N N 14 123.708 123.708 122.226 1.482 19833 1400 1 12 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.932 0.317 19833 1401 1 12 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.316 -1.396 19833 1402 1 12 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.824 1.161 19833 1403 1 12 . 1 1 14 14 ALA H H 14 8.276 8.276 8.348 -0.072 19833 1404 1 12 . 1 1 15 15 SER N N 15 112.747 112.747 112.260 0.487 19833 1405 1 12 . 1 1 15 15 SER HA H 15 4.306 4.306 4.007 0.299 19833 1406 1 12 . 1 1 15 15 SER CA C 15 59.618 59.618 61.256 -1.638 19833 1407 1 12 . 1 1 15 15 SER CB C 15 63.522 63.522 63.105 0.417 19833 1408 1 12 . 1 1 15 15 SER H H 15 8.068 8.068 8.035 0.033 19833 1409 1 12 . 1 1 16 16 HIS N N 16 119.224 119.224 119.977 -0.753 19833 1410 1 12 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.410 0.297 19833 1411 1 12 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.279 -1.591 19833 1412 1 12 . 1 1 16 16 HIS H H 16 8.161 8.161 7.693 0.468 19833 1413 1 12 . 1 1 17 17 LYS N N 17 120.978 120.978 119.094 1.884 19833 1414 1 12 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.187 0.155 19833 1415 1 12 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.349 -1.481 19833 1416 1 12 . 1 1 17 17 LYS H H 17 8.083 8.083 7.943 0.140 19833 1417 1 12 . 1 1 18 18 LYS N N 18 121.764 121.764 118.143 3.621 19833 1418 1 12 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.220 0.125 19833 1419 1 12 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.323 0.344 19833 1420 1 12 . 1 1 18 18 LYS H H 18 8.235 8.235 7.819 0.416 19833 1421 1 12 . 1 1 19 19 LYS N N 19 122.420 122.420 119.442 2.978 19833 1422 1 12 . 1 1 19 19 LYS HA H 19 4.415 4.415 3.971 0.444 19833 1423 1 12 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.995 -0.248 19833 1424 1 12 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.772 2.675 19833 1425 1 12 . 1 1 19 19 LYS H H 19 8.397 8.397 8.031 0.366 19833 1426 1 12 . 1 1 20 20 THR N N 20 114.054 114.054 117.142 -3.088 19833 1427 1 12 . 1 1 20 20 THR HA H 20 4.417 4.417 4.413 0.004 19833 1428 1 12 . 1 1 20 20 THR CA C 20 61.883 61.883 60.904 0.979 19833 1429 1 12 . 1 1 20 20 THR CB C 20 69.985 69.985 70.081 -0.096 19833 1430 1 12 . 1 1 20 20 THR H H 20 8.093 8.093 7.838 0.255 19833 1431 1 12 . 1 1 21 21 GLY N N 21 110.822 110.822 109.694 1.128 19833 1432 1 12 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.449 -0.109 19833 1433 1 12 . 1 1 21 21 GLY H H 21 8.360 8.360 8.405 -0.045 19833 1434 1 12 . 1 1 22 22 GLY N N 22 107.828 107.828 108.440 -0.612 19833 1435 1 12 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.134 0.724 19833 1436 1 12 . 1 1 22 22 GLY H H 22 8.144 8.144 7.700 0.444 19833 1437 1 12 . 1 1 23 23 TYR N N 23 119.305 119.305 124.146 -4.841 19833 1438 1 12 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.075 0.443 19833 1439 1 12 . 1 1 23 23 TYR H H 23 7.871 7.871 8.090 -0.219 19833 1440 1 12 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.366 0.025 19833 1441 1 12 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.872 -0.224 19833 1442 1 12 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.175 -0.471 19833 1443 1 12 . 1 1 25 25 TRP N N 25 113.569 113.569 116.905 -3.336 19833 1444 1 12 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.926 -0.536 19833 1445 1 12 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.250 -0.621 19833 1446 1 12 . 1 1 25 25 TRP H H 25 6.927 6.927 7.305 -0.378 19833 1447 1 12 . 1 1 26 26 GLU N N 26 120.107 120.107 122.418 -2.311 19833 1448 1 12 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.566 -0.097 19833 1449 1 12 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.598 0.280 19833 1450 1 12 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.929 1.012 19833 1451 1 12 . 1 1 26 26 GLU H H 26 7.657 7.657 7.577 0.081 19833 1452 1 12 . 1 1 27 27 ARG N N 27 120.913 120.913 120.548 0.365 19833 1453 1 12 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.445 -0.080 19833 1454 1 12 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.607 0.936 19833 1455 1 12 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.267 0.639 19833 1456 1 12 . 1 1 27 27 ARG H H 27 8.164 8.164 7.549 0.615 19833 1457 1 12 . 1 1 28 28 GLY N N 28 109.371 109.371 110.147 -0.776 19833 1458 1 12 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.113 0.357 19833 1459 1 12 . 1 1 28 28 GLY H H 28 8.487 8.487 8.758 -0.271 19833 1460 1 12 . 1 1 29 29 LYS N N 29 120.511 120.511 121.306 -0.795 19833 1461 1 12 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.488 -0.071 19833 1462 1 12 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.321 -0.266 19833 1463 1 12 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.983 -0.855 19833 1464 1 12 . 1 1 29 29 LYS H H 29 8.116 8.116 8.042 0.074 19833 1465 1 13 . 1 1 2 2 LYS N N 2 124.507 124.507 121.837 2.670 19833 1466 1 13 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.447 -0.049 19833 1467 1 13 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.332 0.646 19833 1468 1 13 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.987 0.133 19833 1469 1 13 . 1 1 2 2 LYS H H 2 9.055 9.055 8.312 0.743 19833 1470 1 13 . 1 1 3 3 THR N N 3 116.151 116.151 114.885 1.266 19833 1471 1 13 . 1 1 3 3 THR HA H 3 4.228 4.228 4.453 -0.225 19833 1472 1 13 . 1 1 3 3 THR CA C 3 64.622 64.622 60.555 4.067 19833 1473 1 13 . 1 1 3 3 THR CB C 3 69.037 69.037 68.385 0.652 19833 1474 1 13 . 1 1 3 3 THR H H 3 8.487 8.487 8.023 0.464 19833 1475 1 13 . 1 1 4 4 ILE N N 4 121.254 121.254 122.969 -1.715 19833 1476 1 13 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.050 0.070 19833 1477 1 13 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.445 1.360 19833 1478 1 13 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.907 0.225 19833 1479 1 13 . 1 1 4 4 ILE H H 4 8.561 8.561 8.286 0.275 19833 1480 1 13 . 1 1 5 5 LEU N N 5 119.718 119.718 119.676 0.042 19833 1481 1 13 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.960 0.238 19833 1482 1 13 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.084 -0.663 19833 1483 1 13 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.941 0.326 19833 1484 1 13 . 1 1 5 5 LEU H H 5 7.944 7.944 8.146 -0.202 19833 1485 1 13 . 1 1 6 6 ARG N N 6 118.685 118.685 118.825 -0.140 19833 1486 1 13 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.080 0.063 19833 1487 1 13 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.210 0.655 19833 1488 1 13 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.313 0.548 19833 1489 1 13 . 1 1 6 6 ARG H H 6 8.013 8.013 7.765 0.248 19833 1490 1 13 . 1 1 7 7 PHE N N 7 118.774 118.774 121.072 -2.298 19833 1491 1 13 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.470 0.026 19833 1492 1 13 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.476 -0.139 19833 1493 1 13 . 1 1 7 7 PHE H H 7 7.950 7.950 7.811 0.139 19833 1494 1 13 . 1 1 8 8 VAL N N 8 116.545 116.545 119.414 -2.869 19833 1495 1 13 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.281 0.625 19833 1496 1 13 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.312 -1.197 19833 1497 1 13 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.879 1.194 19833 1498 1 13 . 1 1 8 8 VAL H H 8 8.014 8.014 8.690 -0.676 19833 1499 1 13 . 1 1 9 9 ALA N N 9 121.564 121.564 122.377 -0.813 19833 1500 1 13 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.977 0.264 19833 1501 1 13 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.697 -1.060 19833 1502 1 13 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.910 0.737 19833 1503 1 13 . 1 1 9 9 ALA H H 9 8.087 8.087 7.887 0.200 19833 1504 1 13 . 1 1 10 10 GLY N N 10 104.760 104.760 105.305 -0.545 19833 1505 1 13 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.462 -1.048 19833 1506 1 13 . 1 1 10 10 GLY H H 10 8.143 8.143 7.820 0.323 19833 1507 1 13 . 1 1 11 11 TYR N N 11 121.166 121.166 122.682 -1.516 19833 1508 1 13 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.156 0.179 19833 1509 1 13 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.634 -0.502 19833 1510 1 13 . 1 1 11 11 TYR H H 11 8.010 8.010 7.549 0.461 19833 1511 1 13 . 1 1 12 12 ASP N N 12 119.461 119.461 119.344 0.117 19833 1512 1 13 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.460 0.164 19833 1513 1 13 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.097 -0.591 19833 1514 1 13 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.668 -2.429 19833 1515 1 13 . 1 1 12 12 ASP H H 12 8.416 8.416 8.576 -0.160 19833 1516 1 13 . 1 1 13 13 ILE N N 13 120.538 120.538 119.088 1.450 19833 1517 1 13 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.847 0.155 19833 1518 1 13 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.342 -1.014 19833 1519 1 13 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.387 0.225 19833 1520 1 13 . 1 1 13 13 ILE H H 13 8.155 8.155 7.170 0.985 19833 1521 1 13 . 1 1 14 14 ALA N N 14 123.708 123.708 122.273 1.435 19833 1522 1 13 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.925 0.324 19833 1523 1 13 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.346 -1.425 19833 1524 1 13 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.795 1.190 19833 1525 1 13 . 1 1 14 14 ALA H H 14 8.276 8.276 8.211 0.065 19833 1526 1 13 . 1 1 15 15 SER N N 15 112.747 112.747 112.440 0.307 19833 1527 1 13 . 1 1 15 15 SER HA H 15 4.306 4.306 3.975 0.331 19833 1528 1 13 . 1 1 15 15 SER CA C 15 59.618 59.618 60.797 -1.179 19833 1529 1 13 . 1 1 15 15 SER CB C 15 63.522 63.522 63.244 0.278 19833 1530 1 13 . 1 1 15 15 SER H H 15 8.068 8.068 8.066 0.002 19833 1531 1 13 . 1 1 16 16 HIS N N 16 119.224 119.224 118.672 0.552 19833 1532 1 13 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.445 0.262 19833 1533 1 13 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.252 -1.564 19833 1534 1 13 . 1 1 16 16 HIS H H 16 8.161 8.161 7.798 0.363 19833 1535 1 13 . 1 1 17 17 LYS N N 17 120.978 120.978 119.499 1.479 19833 1536 1 13 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.243 0.099 19833 1537 1 13 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.657 -1.789 19833 1538 1 13 . 1 1 17 17 LYS H H 17 8.083 8.083 8.123 -0.040 19833 1539 1 13 . 1 1 18 18 LYS N N 18 121.764 121.764 118.166 3.598 19833 1540 1 13 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.202 0.143 19833 1541 1 13 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.010 -0.342 19833 1542 1 13 . 1 1 18 18 LYS H H 18 8.235 8.235 7.856 0.379 19833 1543 1 13 . 1 1 19 19 LYS N N 19 122.420 122.420 119.942 2.478 19833 1544 1 13 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.009 0.406 19833 1545 1 13 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.115 -0.368 19833 1546 1 13 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.653 2.794 19833 1547 1 13 . 1 1 19 19 LYS H H 19 8.397 8.397 7.897 0.500 19833 1548 1 13 . 1 1 20 20 THR N N 20 114.054 114.054 117.259 -3.205 19833 1549 1 13 . 1 1 20 20 THR HA H 20 4.417 4.417 4.293 0.124 19833 1550 1 13 . 1 1 20 20 THR CA C 20 61.883 61.883 61.777 0.106 19833 1551 1 13 . 1 1 20 20 THR CB C 20 69.985 69.985 69.576 0.409 19833 1552 1 13 . 1 1 20 20 THR H H 20 8.093 8.093 7.929 0.164 19833 1553 1 13 . 1 1 21 21 GLY N N 21 110.822 110.822 111.950 -1.128 19833 1554 1 13 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.232 0.108 19833 1555 1 13 . 1 1 21 21 GLY H H 21 8.360 8.360 8.461 -0.101 19833 1556 1 13 . 1 1 22 22 GLY N N 22 107.828 107.828 108.341 -0.513 19833 1557 1 13 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.802 0.056 19833 1558 1 13 . 1 1 22 22 GLY H H 22 8.144 8.144 7.788 0.356 19833 1559 1 13 . 1 1 23 23 TYR N N 23 119.305 119.305 124.279 -4.974 19833 1560 1 13 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.211 0.307 19833 1561 1 13 . 1 1 23 23 TYR H H 23 7.871 7.871 8.274 -0.403 19833 1562 1 13 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.369 0.022 19833 1563 1 13 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.663 -0.015 19833 1564 1 13 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.286 -0.582 19833 1565 1 13 . 1 1 25 25 TRP N N 25 113.569 113.569 117.235 -3.666 19833 1566 1 13 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.943 -0.553 19833 1567 1 13 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.068 -0.439 19833 1568 1 13 . 1 1 25 25 TRP H H 25 6.927 6.927 7.406 -0.479 19833 1569 1 13 . 1 1 26 26 GLU N N 26 120.107 120.107 121.963 -1.856 19833 1570 1 13 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.560 -0.091 19833 1571 1 13 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.758 0.120 19833 1572 1 13 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.998 0.943 19833 1573 1 13 . 1 1 26 26 GLU H H 26 7.657 7.657 7.496 0.161 19833 1574 1 13 . 1 1 27 27 ARG N N 27 120.913 120.913 119.815 1.098 19833 1575 1 13 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.420 -0.055 19833 1576 1 13 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.796 0.747 19833 1577 1 13 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.114 0.792 19833 1578 1 13 . 1 1 27 27 ARG H H 27 8.164 8.164 7.733 0.431 19833 1579 1 13 . 1 1 28 28 GLY N N 28 109.371 109.371 109.810 -0.439 19833 1580 1 13 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.241 0.229 19833 1581 1 13 . 1 1 28 28 GLY H H 28 8.487 8.487 8.063 0.424 19833 1582 1 13 . 1 1 29 29 LYS N N 29 120.511 120.511 121.163 -0.652 19833 1583 1 13 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.523 -0.106 19833 1584 1 13 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.023 0.032 19833 1585 1 13 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.456 0.672 19833 1586 1 13 . 1 1 29 29 LYS H H 29 8.116 8.116 8.139 -0.023 19833 1587 1 14 . 1 1 2 2 LYS N N 2 124.507 124.507 121.300 3.207 19833 1588 1 14 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.558 -0.160 19833 1589 1 14 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.903 0.075 19833 1590 1 14 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.997 0.123 19833 1591 1 14 . 1 1 2 2 LYS H H 2 9.055 9.055 8.699 0.356 19833 1592 1 14 . 1 1 3 3 THR N N 3 116.151 116.151 113.829 2.322 19833 1593 1 14 . 1 1 3 3 THR HA H 3 4.228 4.228 4.550 -0.322 19833 1594 1 14 . 1 1 3 3 THR CA C 3 64.622 64.622 61.268 3.354 19833 1595 1 14 . 1 1 3 3 THR CB C 3 69.037 69.037 69.182 -0.145 19833 1596 1 14 . 1 1 3 3 THR H H 3 8.487 8.487 7.785 0.702 19833 1597 1 14 . 1 1 4 4 ILE N N 4 121.254 121.254 123.597 -2.343 19833 1598 1 14 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.047 0.073 19833 1599 1 14 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.762 1.043 19833 1600 1 14 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.852 0.279 19833 1601 1 14 . 1 1 4 4 ILE H H 4 8.561 8.561 8.186 0.375 19833 1602 1 14 . 1 1 5 5 LEU N N 5 119.718 119.718 119.490 0.228 19833 1603 1 14 . 1 1 5 5 LEU HA H 5 4.198 4.198 4.051 0.147 19833 1604 1 14 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.669 -0.248 19833 1605 1 14 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.611 0.656 19833 1606 1 14 . 1 1 5 5 LEU H H 5 7.944 7.944 7.892 0.052 19833 1607 1 14 . 1 1 6 6 ARG N N 6 118.685 118.685 118.826 -0.141 19833 1608 1 14 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.084 0.059 19833 1609 1 14 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.218 0.647 19833 1610 1 14 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.314 0.546 19833 1611 1 14 . 1 1 6 6 ARG H H 6 8.013 8.013 7.768 0.245 19833 1612 1 14 . 1 1 7 7 PHE N N 7 118.774 118.774 121.169 -2.395 19833 1613 1 14 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.488 0.008 19833 1614 1 14 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.712 -0.376 19833 1615 1 14 . 1 1 7 7 PHE H H 7 7.950 7.950 7.828 0.122 19833 1616 1 14 . 1 1 8 8 VAL N N 8 116.545 116.545 118.936 -2.391 19833 1617 1 14 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.304 0.602 19833 1618 1 14 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.637 -0.522 19833 1619 1 14 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.426 1.647 19833 1620 1 14 . 1 1 8 8 VAL H H 8 8.014 8.014 8.752 -0.738 19833 1621 1 14 . 1 1 9 9 ALA N N 9 121.564 121.564 122.539 -0.975 19833 1622 1 14 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.016 0.225 19833 1623 1 14 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.650 -1.012 19833 1624 1 14 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.083 0.564 19833 1625 1 14 . 1 1 9 9 ALA H H 9 8.087 8.087 7.932 0.155 19833 1626 1 14 . 1 1 10 10 GLY N N 10 104.760 104.760 105.290 -0.530 19833 1627 1 14 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.466 -1.052 19833 1628 1 14 . 1 1 10 10 GLY H H 10 8.143 8.143 7.864 0.279 19833 1629 1 14 . 1 1 11 11 TYR N N 11 121.166 121.166 122.631 -1.465 19833 1630 1 14 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.144 0.191 19833 1631 1 14 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.717 -0.584 19833 1632 1 14 . 1 1 11 11 TYR H H 11 8.010 8.010 7.566 0.444 19833 1633 1 14 . 1 1 12 12 ASP N N 12 119.461 119.461 120.021 -0.560 19833 1634 1 14 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.451 0.173 19833 1635 1 14 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.522 -1.016 19833 1636 1 14 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.738 -2.499 19833 1637 1 14 . 1 1 12 12 ASP H H 12 8.416 8.416 8.562 -0.146 19833 1638 1 14 . 1 1 13 13 ILE N N 13 120.538 120.538 119.357 1.181 19833 1639 1 14 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.894 0.108 19833 1640 1 14 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.358 -1.030 19833 1641 1 14 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.404 0.208 19833 1642 1 14 . 1 1 13 13 ILE H H 13 8.155 8.155 7.185 0.970 19833 1643 1 14 . 1 1 14 14 ALA N N 14 123.708 123.708 122.200 1.508 19833 1644 1 14 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.922 0.327 19833 1645 1 14 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.305 -1.385 19833 1646 1 14 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.814 1.171 19833 1647 1 14 . 1 1 14 14 ALA H H 14 8.276 8.276 8.276 -0.000 19833 1648 1 14 . 1 1 15 15 SER N N 15 112.747 112.747 112.262 0.485 19833 1649 1 14 . 1 1 15 15 SER HA H 15 4.306 4.306 3.996 0.310 19833 1650 1 14 . 1 1 15 15 SER CA C 15 59.618 59.618 61.034 -1.416 19833 1651 1 14 . 1 1 15 15 SER CB C 15 63.522 63.522 63.039 0.483 19833 1652 1 14 . 1 1 15 15 SER H H 15 8.068 8.068 8.030 0.038 19833 1653 1 14 . 1 1 16 16 HIS N N 16 119.224 119.224 120.024 -0.800 19833 1654 1 14 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.476 0.231 19833 1655 1 14 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.207 -1.519 19833 1656 1 14 . 1 1 16 16 HIS H H 16 8.161 8.161 7.638 0.523 19833 1657 1 14 . 1 1 17 17 LYS N N 17 120.978 120.978 119.115 1.863 19833 1658 1 14 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.169 0.173 19833 1659 1 14 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.269 -1.401 19833 1660 1 14 . 1 1 17 17 LYS H H 17 8.083 8.083 7.953 0.130 19833 1661 1 14 . 1 1 18 18 LYS N N 18 121.764 121.764 117.522 4.242 19833 1662 1 14 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.180 0.165 19833 1663 1 14 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.945 -0.278 19833 1664 1 14 . 1 1 18 18 LYS H H 18 8.235 8.235 7.709 0.526 19833 1665 1 14 . 1 1 19 19 LYS N N 19 122.420 122.420 119.192 3.228 19833 1666 1 14 . 1 1 19 19 LYS HA H 19 4.415 4.415 3.982 0.433 19833 1667 1 14 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.883 -0.136 19833 1668 1 14 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.750 2.697 19833 1669 1 14 . 1 1 19 19 LYS H H 19 8.397 8.397 8.031 0.366 19833 1670 1 14 . 1 1 20 20 THR N N 20 114.054 114.054 117.754 -3.700 19833 1671 1 14 . 1 1 20 20 THR HA H 20 4.417 4.417 4.525 -0.108 19833 1672 1 14 . 1 1 20 20 THR CA C 20 61.883 61.883 61.280 0.603 19833 1673 1 14 . 1 1 20 20 THR CB C 20 69.985 69.985 69.957 0.028 19833 1674 1 14 . 1 1 20 20 THR H H 20 8.093 8.093 8.368 -0.275 19833 1675 1 14 . 1 1 21 21 GLY N N 21 110.822 110.822 115.001 -4.179 19833 1676 1 14 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.246 0.094 19833 1677 1 14 . 1 1 21 21 GLY H H 21 8.360 8.360 8.453 -0.093 19833 1678 1 14 . 1 1 22 22 GLY N N 22 107.828 107.828 111.026 -3.198 19833 1679 1 14 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.696 0.162 19833 1680 1 14 . 1 1 22 22 GLY H H 22 8.144 8.144 8.482 -0.338 19833 1681 1 14 . 1 1 23 23 TYR N N 23 119.305 119.305 120.660 -1.355 19833 1682 1 14 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.209 0.309 19833 1683 1 14 . 1 1 23 23 TYR H H 23 7.871 7.871 8.073 -0.202 19833 1684 1 14 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.389 0.002 19833 1685 1 14 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.499 0.149 19833 1686 1 14 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.327 -0.623 19833 1687 1 14 . 1 1 25 25 TRP N N 25 113.569 113.569 116.514 -2.945 19833 1688 1 14 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.949 -0.559 19833 1689 1 14 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.122 -0.493 19833 1690 1 14 . 1 1 25 25 TRP H H 25 6.927 6.927 7.270 -0.343 19833 1691 1 14 . 1 1 26 26 GLU N N 26 120.107 120.107 122.733 -2.626 19833 1692 1 14 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.608 -0.139 19833 1693 1 14 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.039 -0.161 19833 1694 1 14 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.784 1.157 19833 1695 1 14 . 1 1 26 26 GLU H H 26 7.657 7.657 7.660 -0.003 19833 1696 1 14 . 1 1 27 27 ARG N N 27 120.913 120.913 119.178 1.735 19833 1697 1 14 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.524 -0.159 19833 1698 1 14 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.799 0.744 19833 1699 1 14 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.113 0.793 19833 1700 1 14 . 1 1 27 27 ARG H H 27 8.164 8.164 7.592 0.572 19833 1701 1 14 . 1 1 28 28 GLY N N 28 109.371 109.371 109.006 0.365 19833 1702 1 14 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.259 0.211 19833 1703 1 14 . 1 1 28 28 GLY H H 28 8.487 8.487 8.544 -0.057 19833 1704 1 14 . 1 1 29 29 LYS N N 29 120.511 120.511 119.238 1.273 19833 1705 1 14 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.440 -0.023 19833 1706 1 14 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.941 0.114 19833 1707 1 14 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.133 -0.005 19833 1708 1 14 . 1 1 29 29 LYS H H 29 8.116 8.116 7.940 0.176 19833 1709 1 15 . 1 1 2 2 LYS N N 2 124.507 124.507 123.351 1.156 19833 1710 1 15 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.354 0.044 19833 1711 1 15 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.682 0.296 19833 1712 1 15 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.784 0.336 19833 1713 1 15 . 1 1 2 2 LYS H H 2 9.055 9.055 8.529 0.526 19833 1714 1 15 . 1 1 3 3 THR N N 3 116.151 116.151 114.418 1.733 19833 1715 1 15 . 1 1 3 3 THR HA H 3 4.228 4.228 4.474 -0.246 19833 1716 1 15 . 1 1 3 3 THR CA C 3 64.622 64.622 60.231 4.391 19833 1717 1 15 . 1 1 3 3 THR CB C 3 69.037 69.037 68.300 0.737 19833 1718 1 15 . 1 1 3 3 THR H H 3 8.487 8.487 7.999 0.488 19833 1719 1 15 . 1 1 4 4 ILE N N 4 121.254 121.254 123.172 -1.918 19833 1720 1 15 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.035 0.085 19833 1721 1 15 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.524 1.281 19833 1722 1 15 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.798 0.334 19833 1723 1 15 . 1 1 4 4 ILE H H 4 8.561 8.561 8.155 0.406 19833 1724 1 15 . 1 1 5 5 LEU N N 5 119.718 119.718 119.628 0.090 19833 1725 1 15 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.964 0.234 19833 1726 1 15 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.082 -0.661 19833 1727 1 15 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.948 0.319 19833 1728 1 15 . 1 1 5 5 LEU H H 5 7.944 7.944 8.139 -0.195 19833 1729 1 15 . 1 1 6 6 ARG N N 6 118.685 118.685 118.824 -0.139 19833 1730 1 15 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.082 0.061 19833 1731 1 15 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.239 0.627 19833 1732 1 15 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.335 0.526 19833 1733 1 15 . 1 1 6 6 ARG H H 6 8.013 8.013 7.766 0.247 19833 1734 1 15 . 1 1 7 7 PHE N N 7 118.774 118.774 121.169 -2.395 19833 1735 1 15 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.481 0.015 19833 1736 1 15 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.706 -0.369 19833 1737 1 15 . 1 1 7 7 PHE H H 7 7.950 7.950 7.827 0.123 19833 1738 1 15 . 1 1 8 8 VAL N N 8 116.545 116.545 118.933 -2.388 19833 1739 1 15 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.294 0.612 19833 1740 1 15 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.660 -0.545 19833 1741 1 15 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.416 1.657 19833 1742 1 15 . 1 1 8 8 VAL H H 8 8.014 8.014 8.743 -0.729 19833 1743 1 15 . 1 1 9 9 ALA N N 9 121.564 121.564 122.471 -0.907 19833 1744 1 15 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.013 0.228 19833 1745 1 15 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.641 -1.003 19833 1746 1 15 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.075 0.572 19833 1747 1 15 . 1 1 9 9 ALA H H 9 8.087 8.087 7.933 0.154 19833 1748 1 15 . 1 1 10 10 GLY N N 10 104.760 104.760 105.330 -0.570 19833 1749 1 15 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.473 -1.059 19833 1750 1 15 . 1 1 10 10 GLY H H 10 8.143 8.143 7.830 0.313 19833 1751 1 15 . 1 1 11 11 TYR N N 11 121.166 121.166 122.622 -1.456 19833 1752 1 15 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.144 0.191 19833 1753 1 15 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.668 -0.536 19833 1754 1 15 . 1 1 11 11 TYR H H 11 8.010 8.010 7.563 0.447 19833 1755 1 15 . 1 1 12 12 ASP N N 12 119.461 119.461 120.106 -0.645 19833 1756 1 15 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.449 0.175 19833 1757 1 15 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.650 -1.144 19833 1758 1 15 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.757 -2.518 19833 1759 1 15 . 1 1 12 12 ASP H H 12 8.416 8.416 8.600 -0.184 19833 1760 1 15 . 1 1 13 13 ILE N N 13 120.538 120.538 119.482 1.056 19833 1761 1 15 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.854 0.148 19833 1762 1 15 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.527 -1.199 19833 1763 1 15 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.342 0.271 19833 1764 1 15 . 1 1 13 13 ILE H H 13 8.155 8.155 7.197 0.958 19833 1765 1 15 . 1 1 14 14 ALA N N 14 123.708 123.708 122.400 1.308 19833 1766 1 15 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.929 0.320 19833 1767 1 15 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.371 -1.451 19833 1768 1 15 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.817 1.168 19833 1769 1 15 . 1 1 14 14 ALA H H 14 8.276 8.276 8.244 0.032 19833 1770 1 15 . 1 1 15 15 SER N N 15 112.747 112.747 112.545 0.202 19833 1771 1 15 . 1 1 15 15 SER HA H 15 4.306 4.306 4.004 0.302 19833 1772 1 15 . 1 1 15 15 SER CA C 15 59.618 59.618 60.874 -1.256 19833 1773 1 15 . 1 1 15 15 SER CB C 15 63.522 63.522 63.184 0.338 19833 1774 1 15 . 1 1 15 15 SER H H 15 8.068 8.068 8.082 -0.014 19833 1775 1 15 . 1 1 16 16 HIS N N 16 119.224 119.224 119.961 -0.737 19833 1776 1 15 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.476 0.231 19833 1777 1 15 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.184 -1.496 19833 1778 1 15 . 1 1 16 16 HIS H H 16 8.161 8.161 7.632 0.529 19833 1779 1 15 . 1 1 17 17 LYS N N 17 120.978 120.978 118.543 2.435 19833 1780 1 15 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.218 0.124 19833 1781 1 15 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.186 -1.318 19833 1782 1 15 . 1 1 17 17 LYS H H 17 8.083 8.083 8.050 0.033 19833 1783 1 15 . 1 1 18 18 LYS N N 18 121.764 121.764 117.815 3.949 19833 1784 1 15 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.201 0.144 19833 1785 1 15 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.545 0.122 19833 1786 1 15 . 1 1 18 18 LYS H H 18 8.235 8.235 7.800 0.435 19833 1787 1 15 . 1 1 19 19 LYS N N 19 122.420 122.420 119.519 2.901 19833 1788 1 15 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.006 0.409 19833 1789 1 15 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.981 -0.234 19833 1790 1 15 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.856 2.591 19833 1791 1 15 . 1 1 19 19 LYS H H 19 8.397 8.397 7.910 0.487 19833 1792 1 15 . 1 1 20 20 THR N N 20 114.054 114.054 119.316 -5.262 19833 1793 1 15 . 1 1 20 20 THR HA H 20 4.417 4.417 4.283 0.134 19833 1794 1 15 . 1 1 20 20 THR CA C 20 61.883 61.883 61.745 0.138 19833 1795 1 15 . 1 1 20 20 THR CB C 20 69.985 69.985 69.896 0.089 19833 1796 1 15 . 1 1 20 20 THR H H 20 8.093 8.093 8.184 -0.091 19833 1797 1 15 . 1 1 21 21 GLY N N 21 110.822 110.822 112.726 -1.904 19833 1798 1 15 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.907 0.433 19833 1799 1 15 . 1 1 21 21 GLY H H 21 8.360 8.360 8.284 0.076 19833 1800 1 15 . 1 1 22 22 GLY N N 22 107.828 107.828 110.926 -3.098 19833 1801 1 15 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.616 0.242 19833 1802 1 15 . 1 1 22 22 GLY H H 22 8.144 8.144 8.073 0.071 19833 1803 1 15 . 1 1 23 23 TYR N N 23 119.305 119.305 124.563 -5.258 19833 1804 1 15 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.094 0.424 19833 1805 1 15 . 1 1 23 23 TYR H H 23 7.871 7.871 8.166 -0.295 19833 1806 1 15 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.395 -0.004 19833 1807 1 15 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.646 0.002 19833 1808 1 15 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.225 -0.521 19833 1809 1 15 . 1 1 25 25 TRP N N 25 113.569 113.569 117.060 -3.491 19833 1810 1 15 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.912 -0.522 19833 1811 1 15 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.083 -0.454 19833 1812 1 15 . 1 1 25 25 TRP H H 25 6.927 6.927 7.308 -0.381 19833 1813 1 15 . 1 1 26 26 GLU N N 26 120.107 120.107 122.718 -2.611 19833 1814 1 15 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.548 -0.079 19833 1815 1 15 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.040 -0.162 19833 1816 1 15 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.887 1.054 19833 1817 1 15 . 1 1 26 26 GLU H H 26 7.657 7.657 7.510 0.147 19833 1818 1 15 . 1 1 27 27 ARG N N 27 120.913 120.913 120.051 0.862 19833 1819 1 15 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.397 -0.032 19833 1820 1 15 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.004 0.539 19833 1821 1 15 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.076 0.830 19833 1822 1 15 . 1 1 27 27 ARG H H 27 8.164 8.164 7.590 0.574 19833 1823 1 15 . 1 1 28 28 GLY N N 28 109.371 109.371 108.338 1.033 19833 1824 1 15 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.725 0.745 19833 1825 1 15 . 1 1 28 28 GLY H H 28 8.487 8.487 8.062 0.425 19833 1826 1 15 . 1 1 29 29 LYS N N 29 120.511 120.511 122.638 -2.127 19833 1827 1 15 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.431 -0.014 19833 1828 1 15 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.373 -0.318 19833 1829 1 15 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.188 -0.060 19833 1830 1 15 . 1 1 29 29 LYS H H 29 8.116 8.116 8.270 -0.154 19833 1831 1 16 . 1 1 2 2 LYS N N 2 124.507 124.507 121.798 2.709 19833 1832 1 16 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.260 0.138 19833 1833 1 16 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.390 -0.412 19833 1834 1 16 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.464 0.656 19833 1835 1 16 . 1 1 2 2 LYS H H 2 9.055 9.055 8.544 0.511 19833 1836 1 16 . 1 1 3 3 THR N N 3 116.151 116.151 113.279 2.872 19833 1837 1 16 . 1 1 3 3 THR HA H 3 4.228 4.228 4.547 -0.319 19833 1838 1 16 . 1 1 3 3 THR CA C 3 64.622 64.622 60.295 4.327 19833 1839 1 16 . 1 1 3 3 THR CB C 3 69.037 69.037 68.475 0.562 19833 1840 1 16 . 1 1 3 3 THR H H 3 8.487 8.487 7.890 0.597 19833 1841 1 16 . 1 1 4 4 ILE N N 4 121.254 121.254 123.010 -1.756 19833 1842 1 16 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.042 0.078 19833 1843 1 16 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.521 1.284 19833 1844 1 16 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.940 0.192 19833 1845 1 16 . 1 1 4 4 ILE H H 4 8.561 8.561 7.638 0.923 19833 1846 1 16 . 1 1 5 5 LEU N N 5 119.718 119.718 119.335 0.383 19833 1847 1 16 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.986 0.212 19833 1848 1 16 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.968 -0.547 19833 1849 1 16 . 1 1 5 5 LEU CB C 5 41.267 41.267 41.012 0.255 19833 1850 1 16 . 1 1 5 5 LEU H H 5 7.944 7.944 8.076 -0.132 19833 1851 1 16 . 1 1 6 6 ARG N N 6 118.685 118.685 118.840 -0.155 19833 1852 1 16 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.083 0.060 19833 1853 1 16 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.222 0.643 19833 1854 1 16 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.321 0.540 19833 1855 1 16 . 1 1 6 6 ARG H H 6 8.013 8.013 7.776 0.237 19833 1856 1 16 . 1 1 7 7 PHE N N 7 118.774 118.774 121.153 -2.379 19833 1857 1 16 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.485 0.011 19833 1858 1 16 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.706 -0.369 19833 1859 1 16 . 1 1 7 7 PHE H H 7 7.950 7.950 7.828 0.122 19833 1860 1 16 . 1 1 8 8 VAL N N 8 116.545 116.545 118.934 -2.389 19833 1861 1 16 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.297 0.609 19833 1862 1 16 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.661 -0.546 19833 1863 1 16 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.419 1.654 19833 1864 1 16 . 1 1 8 8 VAL H H 8 8.014 8.014 8.745 -0.731 19833 1865 1 16 . 1 1 9 9 ALA N N 9 121.564 121.564 122.494 -0.930 19833 1866 1 16 . 1 1 9 9 ALA HA H 9 4.241 4.241 4.019 0.222 19833 1867 1 16 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.667 -1.029 19833 1868 1 16 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.069 0.578 19833 1869 1 16 . 1 1 9 9 ALA H H 9 8.087 8.087 7.941 0.146 19833 1870 1 16 . 1 1 10 10 GLY N N 10 104.760 104.760 105.360 -0.600 19833 1871 1 16 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.492 -1.078 19833 1872 1 16 . 1 1 10 10 GLY H H 10 8.143 8.143 7.850 0.293 19833 1873 1 16 . 1 1 11 11 TYR N N 11 121.166 121.166 122.633 -1.467 19833 1874 1 16 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.149 0.186 19833 1875 1 16 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.696 -0.563 19833 1876 1 16 . 1 1 11 11 TYR H H 11 8.010 8.010 7.565 0.445 19833 1877 1 16 . 1 1 12 12 ASP N N 12 119.461 119.461 120.033 -0.572 19833 1878 1 16 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.481 0.143 19833 1879 1 16 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.327 -0.821 19833 1880 1 16 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.873 -2.634 19833 1881 1 16 . 1 1 12 12 ASP H H 12 8.416 8.416 8.589 -0.173 19833 1882 1 16 . 1 1 13 13 ILE N N 13 120.538 120.538 119.942 0.596 19833 1883 1 16 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.793 0.209 19833 1884 1 16 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.821 -1.493 19833 1885 1 16 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.207 0.405 19833 1886 1 16 . 1 1 13 13 ILE H H 13 8.155 8.155 7.308 0.848 19833 1887 1 16 . 1 1 14 14 ALA N N 14 123.708 123.708 122.115 1.593 19833 1888 1 16 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.926 0.323 19833 1889 1 16 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.411 -1.491 19833 1890 1 16 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.959 1.026 19833 1891 1 16 . 1 1 14 14 ALA H H 14 8.276 8.276 8.341 -0.065 19833 1892 1 16 . 1 1 15 15 SER N N 15 112.747 112.747 112.721 0.026 19833 1893 1 16 . 1 1 15 15 SER HA H 15 4.306 4.306 3.994 0.312 19833 1894 1 16 . 1 1 15 15 SER CA C 15 59.618 59.618 61.356 -1.738 19833 1895 1 16 . 1 1 15 15 SER CB C 15 63.522 63.522 63.176 0.346 19833 1896 1 16 . 1 1 15 15 SER H H 15 8.068 8.068 8.144 -0.076 19833 1897 1 16 . 1 1 16 16 HIS N N 16 119.224 119.224 121.660 -2.436 19833 1898 1 16 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.395 0.312 19833 1899 1 16 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.019 -1.331 19833 1900 1 16 . 1 1 16 16 HIS H H 16 8.161 8.161 7.542 0.619 19833 1901 1 16 . 1 1 17 17 LYS N N 17 120.978 120.978 118.108 2.870 19833 1902 1 16 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.223 0.119 19833 1903 1 16 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.328 -1.460 19833 1904 1 16 . 1 1 17 17 LYS H H 17 8.083 8.083 8.061 0.022 19833 1905 1 16 . 1 1 18 18 LYS N N 18 121.764 121.764 117.912 3.852 19833 1906 1 16 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.202 0.143 19833 1907 1 16 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.736 -0.070 19833 1908 1 16 . 1 1 18 18 LYS H H 18 8.235 8.235 7.767 0.468 19833 1909 1 16 . 1 1 19 19 LYS N N 19 122.420 122.420 119.778 2.642 19833 1910 1 16 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.031 0.384 19833 1911 1 16 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.042 -0.295 19833 1912 1 16 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.436 2.011 19833 1913 1 16 . 1 1 19 19 LYS H H 19 8.397 8.397 8.068 0.329 19833 1914 1 16 . 1 1 20 20 THR N N 20 114.054 114.054 117.758 -3.704 19833 1915 1 16 . 1 1 20 20 THR HA H 20 4.417 4.417 4.494 -0.077 19833 1916 1 16 . 1 1 20 20 THR CA C 20 61.883 61.883 61.935 -0.052 19833 1917 1 16 . 1 1 20 20 THR CB C 20 69.985 69.985 69.864 0.121 19833 1918 1 16 . 1 1 20 20 THR H H 20 8.093 8.093 8.248 -0.155 19833 1919 1 16 . 1 1 21 21 GLY N N 21 110.822 110.822 115.578 -4.756 19833 1920 1 16 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.150 0.190 19833 1921 1 16 . 1 1 21 21 GLY H H 21 8.360 8.360 8.444 -0.084 19833 1922 1 16 . 1 1 22 22 GLY N N 22 107.828 107.828 111.069 -3.241 19833 1923 1 16 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.187 -0.329 19833 1924 1 16 . 1 1 22 22 GLY H H 22 8.144 8.144 8.383 -0.239 19833 1925 1 16 . 1 1 23 23 TYR N N 23 119.305 119.305 121.313 -2.008 19833 1926 1 16 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.252 0.266 19833 1927 1 16 . 1 1 23 23 TYR H H 23 7.871 7.871 8.138 -0.267 19833 1928 1 16 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.409 -0.018 19833 1929 1 16 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.655 -0.007 19833 1930 1 16 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.262 -0.558 19833 1931 1 16 . 1 1 25 25 TRP N N 25 113.569 113.569 114.445 -0.876 19833 1932 1 16 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.790 -0.400 19833 1933 1 16 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.957 -0.328 19833 1934 1 16 . 1 1 25 25 TRP H H 25 6.927 6.927 7.020 -0.093 19833 1935 1 16 . 1 1 26 26 GLU N N 26 120.107 120.107 120.978 -0.871 19833 1936 1 16 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.562 -0.093 19833 1937 1 16 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.410 -0.533 19833 1938 1 16 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.552 0.389 19833 1939 1 16 . 1 1 26 26 GLU H H 26 7.657 7.657 7.499 0.158 19833 1940 1 16 . 1 1 27 27 ARG N N 27 120.913 120.913 119.011 1.902 19833 1941 1 16 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.528 -0.163 19833 1942 1 16 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.447 1.096 19833 1943 1 16 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.572 1.334 19833 1944 1 16 . 1 1 27 27 ARG H H 27 8.164 8.164 7.873 0.291 19833 1945 1 16 . 1 1 28 28 GLY N N 28 109.371 109.371 108.476 0.895 19833 1946 1 16 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.498 0.972 19833 1947 1 16 . 1 1 28 28 GLY H H 28 8.487 8.487 8.305 0.182 19833 1948 1 16 . 1 1 29 29 LYS N N 29 120.511 120.511 121.534 -1.023 19833 1949 1 16 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.679 -0.262 19833 1950 1 16 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.053 0.002 19833 1951 1 16 . 1 1 29 29 LYS CB C 29 33.128 33.128 34.279 -1.151 19833 1952 1 16 . 1 1 29 29 LYS H H 29 8.116 8.116 8.263 -0.147 19833 1953 1 17 . 1 1 2 2 LYS N N 2 124.507 124.507 121.533 2.974 19833 1954 1 17 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.538 -0.140 19833 1955 1 17 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.331 0.647 19833 1956 1 17 . 1 1 2 2 LYS CB C 2 33.120 33.120 33.081 0.039 19833 1957 1 17 . 1 1 2 2 LYS H H 2 9.055 9.055 8.891 0.164 19833 1958 1 17 . 1 1 3 3 THR N N 3 116.151 116.151 112.397 3.754 19833 1959 1 17 . 1 1 3 3 THR HA H 3 4.228 4.228 4.502 -0.274 19833 1960 1 17 . 1 1 3 3 THR CA C 3 64.622 64.622 61.934 2.688 19833 1961 1 17 . 1 1 3 3 THR CB C 3 69.037 69.037 69.172 -0.135 19833 1962 1 17 . 1 1 3 3 THR H H 3 8.487 8.487 7.810 0.677 19833 1963 1 17 . 1 1 4 4 ILE N N 4 121.254 121.254 124.207 -2.953 19833 1964 1 17 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.041 0.079 19833 1965 1 17 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.755 1.050 19833 1966 1 17 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.653 0.479 19833 1967 1 17 . 1 1 4 4 ILE H H 4 8.561 8.561 8.180 0.381 19833 1968 1 17 . 1 1 5 5 LEU N N 5 119.718 119.718 119.504 0.214 19833 1969 1 17 . 1 1 5 5 LEU HA H 5 4.198 4.198 4.053 0.145 19833 1970 1 17 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.646 -0.225 19833 1971 1 17 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.630 0.637 19833 1972 1 17 . 1 1 5 5 LEU H H 5 7.944 7.944 7.891 0.053 19833 1973 1 17 . 1 1 6 6 ARG N N 6 118.685 118.685 118.812 -0.127 19833 1974 1 17 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.088 0.055 19833 1975 1 17 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.240 0.625 19833 1976 1 17 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.334 0.527 19833 1977 1 17 . 1 1 6 6 ARG H H 6 8.013 8.013 7.777 0.236 19833 1978 1 17 . 1 1 7 7 PHE N N 7 118.774 118.774 121.159 -2.385 19833 1979 1 17 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.447 0.049 19833 1980 1 17 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.721 -0.384 19833 1981 1 17 . 1 1 7 7 PHE H H 7 7.950 7.950 7.811 0.139 19833 1982 1 17 . 1 1 8 8 VAL N N 8 116.545 116.545 119.008 -2.463 19833 1983 1 17 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.212 0.694 19833 1984 1 17 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.189 -1.074 19833 1985 1 17 . 1 1 8 8 VAL CB C 8 32.073 32.073 31.289 0.784 19833 1986 1 17 . 1 1 8 8 VAL H H 8 8.014 8.014 8.788 -0.774 19833 1987 1 17 . 1 1 9 9 ALA N N 9 121.564 121.564 122.679 -1.115 19833 1988 1 17 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.979 0.262 19833 1989 1 17 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.508 -0.870 19833 1990 1 17 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.930 0.717 19833 1991 1 17 . 1 1 9 9 ALA H H 9 8.087 8.087 7.940 0.147 19833 1992 1 17 . 1 1 10 10 GLY N N 10 104.760 104.760 105.357 -0.597 19833 1993 1 17 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.486 -1.072 19833 1994 1 17 . 1 1 10 10 GLY H H 10 8.143 8.143 7.840 0.303 19833 1995 1 17 . 1 1 11 11 TYR N N 11 121.166 121.166 122.691 -1.525 19833 1996 1 17 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.184 0.151 19833 1997 1 17 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.642 -0.510 19833 1998 1 17 . 1 1 11 11 TYR H H 11 8.010 8.010 7.548 0.462 19833 1999 1 17 . 1 1 12 12 ASP N N 12 119.461 119.461 120.233 -0.772 19833 2000 1 17 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.468 0.156 19833 2001 1 17 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.182 -0.676 19833 2002 1 17 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.620 -2.381 19833 2003 1 17 . 1 1 12 12 ASP H H 12 8.416 8.416 8.569 -0.153 19833 2004 1 17 . 1 1 13 13 ILE N N 13 120.538 120.538 119.754 0.784 19833 2005 1 17 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.851 0.151 19833 2006 1 17 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.481 -1.153 19833 2007 1 17 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.260 0.352 19833 2008 1 17 . 1 1 13 13 ILE H H 13 8.155 8.155 7.201 0.954 19833 2009 1 17 . 1 1 14 14 ALA N N 14 123.708 123.708 122.107 1.601 19833 2010 1 17 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.905 0.344 19833 2011 1 17 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.334 -1.414 19833 2012 1 17 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.799 1.187 19833 2013 1 17 . 1 1 14 14 ALA H H 14 8.276 8.276 8.294 -0.018 19833 2014 1 17 . 1 1 15 15 SER N N 15 112.747 112.747 112.415 0.332 19833 2015 1 17 . 1 1 15 15 SER HA H 15 4.306 4.306 3.972 0.334 19833 2016 1 17 . 1 1 15 15 SER CA C 15 59.618 59.618 60.676 -1.058 19833 2017 1 17 . 1 1 15 15 SER CB C 15 63.522 63.522 63.024 0.498 19833 2018 1 17 . 1 1 15 15 SER H H 15 8.068 8.068 8.020 0.048 19833 2019 1 17 . 1 1 16 16 HIS N N 16 119.224 119.224 119.885 -0.661 19833 2020 1 17 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.467 0.240 19833 2021 1 17 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.182 -1.494 19833 2022 1 17 . 1 1 16 16 HIS H H 16 8.161 8.161 7.586 0.575 19833 2023 1 17 . 1 1 17 17 LYS N N 17 120.978 120.978 119.235 1.743 19833 2024 1 17 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.231 0.111 19833 2025 1 17 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.545 -1.677 19833 2026 1 17 . 1 1 17 17 LYS H H 17 8.083 8.083 8.009 0.074 19833 2027 1 17 . 1 1 18 18 LYS N N 18 121.764 121.764 117.950 3.814 19833 2028 1 17 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.191 0.154 19833 2029 1 17 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.920 -0.253 19833 2030 1 17 . 1 1 18 18 LYS H H 18 8.235 8.235 7.738 0.497 19833 2031 1 17 . 1 1 19 19 LYS N N 19 122.420 122.420 119.313 3.107 19833 2032 1 17 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.001 0.414 19833 2033 1 17 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.956 -0.209 19833 2034 1 17 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.941 2.506 19833 2035 1 17 . 1 1 19 19 LYS H H 19 8.397 8.397 8.015 0.382 19833 2036 1 17 . 1 1 20 20 THR N N 20 114.054 114.054 116.244 -2.190 19833 2037 1 17 . 1 1 20 20 THR HA H 20 4.417 4.417 4.351 0.066 19833 2038 1 17 . 1 1 20 20 THR CA C 20 61.883 61.883 61.918 -0.035 19833 2039 1 17 . 1 1 20 20 THR CB C 20 69.985 69.985 69.841 0.144 19833 2040 1 17 . 1 1 20 20 THR H H 20 8.093 8.093 8.046 0.047 19833 2041 1 17 . 1 1 21 21 GLY N N 21 110.822 110.822 113.331 -2.509 19833 2042 1 17 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.866 -0.526 19833 2043 1 17 . 1 1 21 21 GLY H H 21 8.360 8.360 8.437 -0.077 19833 2044 1 17 . 1 1 22 22 GLY N N 22 107.828 107.828 111.521 -3.693 19833 2045 1 17 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.674 -0.816 19833 2046 1 17 . 1 1 22 22 GLY H H 22 8.144 8.144 7.688 0.456 19833 2047 1 17 . 1 1 23 23 TYR N N 23 119.305 119.305 125.616 -6.311 19833 2048 1 17 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.110 0.408 19833 2049 1 17 . 1 1 23 23 TYR H H 23 7.871 7.871 8.142 -0.271 19833 2050 1 17 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.391 -0.000 19833 2051 1 17 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.596 0.052 19833 2052 1 17 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.250 -0.546 19833 2053 1 17 . 1 1 25 25 TRP N N 25 113.569 113.569 115.679 -2.110 19833 2054 1 17 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.875 -0.485 19833 2055 1 17 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.087 -0.458 19833 2056 1 17 . 1 1 25 25 TRP H H 25 6.927 6.927 7.138 -0.211 19833 2057 1 17 . 1 1 26 26 GLU N N 26 120.107 120.107 121.091 -0.984 19833 2058 1 17 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.496 -0.027 19833 2059 1 17 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.971 -0.093 19833 2060 1 17 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.323 0.618 19833 2061 1 17 . 1 1 26 26 GLU H H 26 7.657 7.657 7.443 0.214 19833 2062 1 17 . 1 1 27 27 ARG N N 27 120.913 120.913 120.039 0.874 19833 2063 1 17 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.416 -0.051 19833 2064 1 17 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.244 0.299 19833 2065 1 17 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.897 1.009 19833 2066 1 17 . 1 1 27 27 ARG H H 27 8.164 8.164 8.448 -0.284 19833 2067 1 17 . 1 1 28 28 GLY N N 28 109.371 109.371 107.428 1.943 19833 2068 1 17 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.947 0.523 19833 2069 1 17 . 1 1 28 28 GLY H H 28 8.487 8.487 8.438 0.049 19833 2070 1 17 . 1 1 29 29 LYS N N 29 120.511 120.511 122.159 -1.648 19833 2071 1 17 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.670 -0.253 19833 2072 1 17 . 1 1 29 29 LYS CA C 29 56.055 56.055 55.402 0.653 19833 2073 1 17 . 1 1 29 29 LYS CB C 29 33.128 33.128 33.863 -0.735 19833 2074 1 17 . 1 1 29 29 LYS H H 29 8.116 8.116 8.210 -0.094 19833 2075 1 18 . 1 1 2 2 LYS N N 2 124.507 124.507 122.528 1.979 19833 2076 1 18 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.225 0.173 19833 2077 1 18 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.251 -0.273 19833 2078 1 18 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.623 0.497 19833 2079 1 18 . 1 1 2 2 LYS H H 2 9.055 9.055 8.583 0.472 19833 2080 1 18 . 1 1 3 3 THR N N 3 116.151 116.151 113.400 2.751 19833 2081 1 18 . 1 1 3 3 THR HA H 3 4.228 4.228 4.553 -0.325 19833 2082 1 18 . 1 1 3 3 THR CA C 3 64.622 64.622 60.370 4.252 19833 2083 1 18 . 1 1 3 3 THR CB C 3 69.037 69.037 68.639 0.398 19833 2084 1 18 . 1 1 3 3 THR H H 3 8.487 8.487 7.800 0.688 19833 2085 1 18 . 1 1 4 4 ILE N N 4 121.254 121.254 122.989 -1.735 19833 2086 1 18 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.033 0.087 19833 2087 1 18 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.808 0.997 19833 2088 1 18 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.884 0.248 19833 2089 1 18 . 1 1 4 4 ILE H H 4 8.561 8.561 7.538 1.023 19833 2090 1 18 . 1 1 5 5 LEU N N 5 119.718 119.718 119.182 0.536 19833 2091 1 18 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.991 0.207 19833 2092 1 18 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.928 -0.507 19833 2093 1 18 . 1 1 5 5 LEU CB C 5 41.267 41.267 41.035 0.232 19833 2094 1 18 . 1 1 5 5 LEU H H 5 7.944 7.944 8.024 -0.080 19833 2095 1 18 . 1 1 6 6 ARG N N 6 118.685 118.685 118.799 -0.114 19833 2096 1 18 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.082 0.061 19833 2097 1 18 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.215 0.650 19833 2098 1 18 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.310 0.551 19833 2099 1 18 . 1 1 6 6 ARG H H 6 8.013 8.013 7.774 0.239 19833 2100 1 18 . 1 1 7 7 PHE N N 7 118.774 118.774 121.167 -2.393 19833 2101 1 18 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.481 0.015 19833 2102 1 18 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.708 -0.371 19833 2103 1 18 . 1 1 7 7 PHE H H 7 7.950 7.950 7.825 0.125 19833 2104 1 18 . 1 1 8 8 VAL N N 8 116.545 116.545 118.928 -2.383 19833 2105 1 18 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.289 0.617 19833 2106 1 18 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.652 -0.537 19833 2107 1 18 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.409 1.664 19833 2108 1 18 . 1 1 8 8 VAL H H 8 8.014 8.014 8.739 -0.725 19833 2109 1 18 . 1 1 9 9 ALA N N 9 121.564 121.564 122.951 -1.387 19833 2110 1 18 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.977 0.264 19833 2111 1 18 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.459 -0.821 19833 2112 1 18 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.029 0.619 19833 2113 1 18 . 1 1 9 9 ALA H H 9 8.087 8.087 7.955 0.132 19833 2114 1 18 . 1 1 10 10 GLY N N 10 104.760 104.760 105.319 -0.559 19833 2115 1 18 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.467 -1.053 19833 2116 1 18 . 1 1 10 10 GLY H H 10 8.143 8.143 7.825 0.318 19833 2117 1 18 . 1 1 11 11 TYR N N 11 121.166 121.166 122.692 -1.526 19833 2118 1 18 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.175 0.160 19833 2119 1 18 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.605 -0.472 19833 2120 1 18 . 1 1 11 11 TYR H H 11 8.010 8.010 7.533 0.477 19833 2121 1 18 . 1 1 12 12 ASP N N 12 119.461 119.461 120.068 -0.607 19833 2122 1 18 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.440 0.184 19833 2123 1 18 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.062 -0.556 19833 2124 1 18 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.578 -2.339 19833 2125 1 18 . 1 1 12 12 ASP H H 12 8.416 8.416 8.609 -0.193 19833 2126 1 18 . 1 1 13 13 ILE N N 13 120.538 120.538 119.247 1.291 19833 2127 1 18 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.952 0.050 19833 2128 1 18 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.252 -0.924 19833 2129 1 18 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.413 0.199 19833 2130 1 18 . 1 1 13 13 ILE H H 13 8.155 8.155 7.192 0.963 19833 2131 1 18 . 1 1 14 14 ALA N N 14 123.708 123.708 122.481 1.227 19833 2132 1 18 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.947 0.302 19833 2133 1 18 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.339 -1.419 19833 2134 1 18 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.837 1.148 19833 2135 1 18 . 1 1 14 14 ALA H H 14 8.276 8.276 8.261 0.015 19833 2136 1 18 . 1 1 15 15 SER N N 15 112.747 112.747 112.640 0.107 19833 2137 1 18 . 1 1 15 15 SER HA H 15 4.306 4.306 4.004 0.302 19833 2138 1 18 . 1 1 15 15 SER CA C 15 59.618 59.618 60.759 -1.141 19833 2139 1 18 . 1 1 15 15 SER CB C 15 63.522 63.522 63.171 0.351 19833 2140 1 18 . 1 1 15 15 SER H H 15 8.068 8.068 8.079 -0.011 19833 2141 1 18 . 1 1 16 16 HIS N N 16 119.224 119.224 118.744 0.480 19833 2142 1 18 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.464 0.243 19833 2143 1 18 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.237 -1.549 19833 2144 1 18 . 1 1 16 16 HIS H H 16 8.161 8.161 7.734 0.427 19833 2145 1 18 . 1 1 17 17 LYS N N 17 120.978 120.978 119.230 1.748 19833 2146 1 18 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.123 0.219 19833 2147 1 18 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.634 -1.766 19833 2148 1 18 . 1 1 17 17 LYS H H 17 8.083 8.083 8.077 0.006 19833 2149 1 18 . 1 1 18 18 LYS N N 18 121.764 121.764 117.808 3.956 19833 2150 1 18 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.221 0.124 19833 2151 1 18 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.669 -0.001 19833 2152 1 18 . 1 1 18 18 LYS H H 18 8.235 8.235 7.863 0.372 19833 2153 1 18 . 1 1 19 19 LYS N N 19 122.420 122.420 120.373 2.047 19833 2154 1 18 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.041 0.374 19833 2155 1 18 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.157 -0.410 19833 2156 1 18 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.781 2.666 19833 2157 1 18 . 1 1 19 19 LYS H H 19 8.397 8.397 7.910 0.487 19833 2158 1 18 . 1 1 20 20 THR N N 20 114.054 114.054 117.429 -3.375 19833 2159 1 18 . 1 1 20 20 THR HA H 20 4.417 4.417 4.225 0.192 19833 2160 1 18 . 1 1 20 20 THR CA C 20 61.883 61.883 62.003 -0.120 19833 2161 1 18 . 1 1 20 20 THR CB C 20 69.985 69.985 69.773 0.212 19833 2162 1 18 . 1 1 20 20 THR H H 20 8.093 8.093 8.089 0.004 19833 2163 1 18 . 1 1 21 21 GLY N N 21 110.822 110.822 112.891 -2.069 19833 2164 1 18 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.324 0.016 19833 2165 1 18 . 1 1 21 21 GLY H H 21 8.360 8.360 8.166 0.194 19833 2166 1 18 . 1 1 22 22 GLY N N 22 107.828 107.828 112.289 -4.461 19833 2167 1 18 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.865 -0.007 19833 2168 1 18 . 1 1 22 22 GLY H H 22 8.144 8.144 8.080 0.064 19833 2169 1 18 . 1 1 23 23 TYR N N 23 119.305 119.305 124.715 -5.410 19833 2170 1 18 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.149 0.369 19833 2171 1 18 . 1 1 23 23 TYR H H 23 7.871 7.871 8.269 -0.398 19833 2172 1 18 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.432 -0.041 19833 2173 1 18 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.558 0.090 19833 2174 1 18 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.436 -0.732 19833 2175 1 18 . 1 1 25 25 TRP N N 25 113.569 113.569 115.573 -2.004 19833 2176 1 18 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.982 -0.592 19833 2177 1 18 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.445 -0.816 19833 2178 1 18 . 1 1 25 25 TRP H H 25 6.927 6.927 7.381 -0.454 19833 2179 1 18 . 1 1 26 26 GLU N N 26 120.107 120.107 120.957 -0.850 19833 2180 1 18 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.521 -0.052 19833 2181 1 18 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.677 0.201 19833 2182 1 18 . 1 1 26 26 GLU CB C 26 28.941 28.941 27.987 0.954 19833 2183 1 18 . 1 1 26 26 GLU H H 26 7.657 7.657 7.577 0.080 19833 2184 1 18 . 1 1 27 27 ARG N N 27 120.913 120.913 119.522 1.391 19833 2185 1 18 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.439 -0.074 19833 2186 1 18 . 1 1 27 27 ARG CA C 27 56.543 56.543 56.128 0.415 19833 2187 1 18 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.101 0.805 19833 2188 1 18 . 1 1 27 27 ARG H H 27 8.164 8.164 7.472 0.692 19833 2189 1 18 . 1 1 28 28 GLY N N 28 109.371 109.371 107.682 1.689 19833 2190 1 18 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.726 0.744 19833 2191 1 18 . 1 1 28 28 GLY H H 28 8.487 8.487 8.418 0.069 19833 2192 1 18 . 1 1 29 29 LYS N N 29 120.511 120.511 120.908 -0.397 19833 2193 1 18 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.625 -0.208 19833 2194 1 18 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.122 -0.067 19833 2195 1 18 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.969 0.159 19833 2196 1 18 . 1 1 29 29 LYS H H 29 8.116 8.116 8.476 -0.360 19833 2197 1 19 . 1 1 2 2 LYS N N 2 124.507 124.507 121.604 2.903 19833 2198 1 19 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.217 0.181 19833 2199 1 19 . 1 1 2 2 LYS CA C 2 57.978 57.978 58.499 -0.521 19833 2200 1 19 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.519 0.601 19833 2201 1 19 . 1 1 2 2 LYS H H 2 9.055 9.055 8.375 0.680 19833 2202 1 19 . 1 1 3 3 THR N N 3 116.151 116.151 114.416 1.735 19833 2203 1 19 . 1 1 3 3 THR HA H 3 4.228 4.228 4.452 -0.224 19833 2204 1 19 . 1 1 3 3 THR CA C 3 64.622 64.622 60.409 4.213 19833 2205 1 19 . 1 1 3 3 THR CB C 3 69.037 69.037 67.829 1.208 19833 2206 1 19 . 1 1 3 3 THR H H 3 8.487 8.487 7.999 0.488 19833 2207 1 19 . 1 1 4 4 ILE N N 4 121.254 121.254 123.307 -2.053 19833 2208 1 19 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.059 0.061 19833 2209 1 19 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.634 1.171 19833 2210 1 19 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.809 0.323 19833 2211 1 19 . 1 1 4 4 ILE H H 4 8.561 8.561 7.642 0.919 19833 2212 1 19 . 1 1 5 5 LEU N N 5 119.718 119.718 119.653 0.065 19833 2213 1 19 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.958 0.240 19833 2214 1 19 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.113 -0.692 19833 2215 1 19 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.928 0.339 19833 2216 1 19 . 1 1 5 5 LEU H H 5 7.944 7.944 8.145 -0.201 19833 2217 1 19 . 1 1 6 6 ARG N N 6 118.685 118.685 118.831 -0.146 19833 2218 1 19 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.077 0.066 19833 2219 1 19 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.244 0.621 19833 2220 1 19 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.337 0.524 19833 2221 1 19 . 1 1 6 6 ARG H H 6 8.013 8.013 7.753 0.260 19833 2222 1 19 . 1 1 7 7 PHE N N 7 118.774 118.774 121.160 -2.386 19833 2223 1 19 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.479 0.017 19833 2224 1 19 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.705 -0.368 19833 2225 1 19 . 1 1 7 7 PHE H H 7 7.950 7.950 7.826 0.124 19833 2226 1 19 . 1 1 8 8 VAL N N 8 116.545 116.545 118.924 -2.379 19833 2227 1 19 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.289 0.617 19833 2228 1 19 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.636 -0.521 19833 2229 1 19 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.410 1.663 19833 2230 1 19 . 1 1 8 8 VAL H H 8 8.014 8.014 8.740 -0.726 19833 2231 1 19 . 1 1 9 9 ALA N N 9 121.564 121.564 122.482 -0.918 19833 2232 1 19 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.997 0.244 19833 2233 1 19 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.628 -0.990 19833 2234 1 19 . 1 1 9 9 ALA CB C 9 18.647 18.647 18.070 0.577 19833 2235 1 19 . 1 1 9 9 ALA H H 9 8.087 8.087 7.922 0.165 19833 2236 1 19 . 1 1 10 10 GLY N N 10 104.760 104.760 105.307 -0.547 19833 2237 1 19 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.462 -1.048 19833 2238 1 19 . 1 1 10 10 GLY H H 10 8.143 8.143 7.831 0.312 19833 2239 1 19 . 1 1 11 11 TYR N N 11 121.166 121.166 122.622 -1.456 19833 2240 1 19 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.139 0.196 19833 2241 1 19 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.658 -0.526 19833 2242 1 19 . 1 1 11 11 TYR H H 11 8.010 8.010 7.551 0.459 19833 2243 1 19 . 1 1 12 12 ASP N N 12 119.461 119.461 119.890 -0.429 19833 2244 1 19 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.408 0.216 19833 2245 1 19 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.133 -0.627 19833 2246 1 19 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.768 -2.529 19833 2247 1 19 . 1 1 12 12 ASP H H 12 8.416 8.416 8.574 -0.158 19833 2248 1 19 . 1 1 13 13 ILE N N 13 120.538 120.538 120.154 0.384 19833 2249 1 19 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.830 0.172 19833 2250 1 19 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.469 -1.141 19833 2251 1 19 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.333 0.279 19833 2252 1 19 . 1 1 13 13 ILE H H 13 8.155 8.155 7.177 0.978 19833 2253 1 19 . 1 1 14 14 ALA N N 14 123.708 123.708 122.463 1.245 19833 2254 1 19 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.970 0.279 19833 2255 1 19 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.475 -1.555 19833 2256 1 19 . 1 1 14 14 ALA CB C 14 18.985 18.985 18.040 0.945 19833 2257 1 19 . 1 1 14 14 ALA H H 14 8.276 8.276 8.361 -0.085 19833 2258 1 19 . 1 1 15 15 SER N N 15 112.747 112.747 113.334 -0.587 19833 2259 1 19 . 1 1 15 15 SER HA H 15 4.306 4.306 4.073 0.233 19833 2260 1 19 . 1 1 15 15 SER CA C 15 59.618 59.618 61.525 -1.907 19833 2261 1 19 . 1 1 15 15 SER CB C 15 63.522 63.522 62.834 0.688 19833 2262 1 19 . 1 1 15 15 SER H H 15 8.068 8.068 8.140 -0.072 19833 2263 1 19 . 1 1 16 16 HIS N N 16 119.224 119.224 120.732 -1.508 19833 2264 1 19 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.483 0.224 19833 2265 1 19 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.013 -1.325 19833 2266 1 19 . 1 1 16 16 HIS H H 16 8.161 8.161 7.560 0.601 19833 2267 1 19 . 1 1 17 17 LYS N N 17 120.978 120.978 118.512 2.466 19833 2268 1 19 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.206 0.136 19833 2269 1 19 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.145 -1.277 19833 2270 1 19 . 1 1 17 17 LYS H H 17 8.083 8.083 8.136 -0.053 19833 2271 1 19 . 1 1 18 18 LYS N N 18 121.764 121.764 116.827 4.937 19833 2272 1 19 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.262 0.083 19833 2273 1 19 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.754 -0.087 19833 2274 1 19 . 1 1 18 18 LYS H H 18 8.235 8.235 7.805 0.430 19833 2275 1 19 . 1 1 19 19 LYS N N 19 122.420 122.420 119.497 2.923 19833 2276 1 19 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.081 0.334 19833 2277 1 19 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.925 -0.178 19833 2278 1 19 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.437 2.010 19833 2279 1 19 . 1 1 19 19 LYS H H 19 8.397 8.397 7.822 0.575 19833 2280 1 19 . 1 1 20 20 THR N N 20 114.054 114.054 117.345 -3.291 19833 2281 1 19 . 1 1 20 20 THR HA H 20 4.417 4.417 4.507 -0.090 19833 2282 1 19 . 1 1 20 20 THR CA C 20 61.883 61.883 61.610 0.273 19833 2283 1 19 . 1 1 20 20 THR CB C 20 69.985 69.985 70.322 -0.337 19833 2284 1 19 . 1 1 20 20 THR H H 20 8.093 8.093 8.094 -0.001 19833 2285 1 19 . 1 1 21 21 GLY N N 21 110.822 110.822 113.741 -2.919 19833 2286 1 19 . 1 1 21 21 GLY CA C 21 45.340 45.340 44.837 0.503 19833 2287 1 19 . 1 1 21 21 GLY H H 21 8.360 8.360 8.317 0.043 19833 2288 1 19 . 1 1 22 22 GLY N N 22 107.828 107.828 109.157 -1.329 19833 2289 1 19 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.921 -0.063 19833 2290 1 19 . 1 1 22 22 GLY H H 22 8.144 8.144 8.295 -0.151 19833 2291 1 19 . 1 1 23 23 TYR N N 23 119.305 119.305 119.912 -0.607 19833 2292 1 19 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.192 0.326 19833 2293 1 19 . 1 1 23 23 TYR H H 23 7.871 7.871 8.007 -0.136 19833 2294 1 19 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.385 0.006 19833 2295 1 19 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.732 -0.084 19833 2296 1 19 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.259 -0.555 19833 2297 1 19 . 1 1 25 25 TRP N N 25 113.569 113.569 116.699 -3.130 19833 2298 1 19 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.942 -0.552 19833 2299 1 19 . 1 1 25 25 TRP CB C 25 28.629 28.629 28.930 -0.301 19833 2300 1 19 . 1 1 25 25 TRP H H 25 6.927 6.927 7.270 -0.343 19833 2301 1 19 . 1 1 26 26 GLU N N 26 120.107 120.107 120.757 -0.650 19833 2302 1 19 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.521 -0.052 19833 2303 1 19 . 1 1 26 26 GLU CA C 26 55.878 55.878 56.583 -0.705 19833 2304 1 19 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.547 0.394 19833 2305 1 19 . 1 1 26 26 GLU H H 26 7.657 7.657 7.571 0.086 19833 2306 1 19 . 1 1 27 27 ARG N N 27 120.913 120.913 117.576 3.337 19833 2307 1 19 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.548 -0.183 19833 2308 1 19 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.628 0.915 19833 2309 1 19 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.474 1.432 19833 2310 1 19 . 1 1 27 27 ARG H H 27 8.164 8.164 7.695 0.469 19833 2311 1 19 . 1 1 28 28 GLY N N 28 109.371 109.371 108.910 0.461 19833 2312 1 19 . 1 1 28 28 GLY CA C 28 45.470 45.470 44.501 0.969 19833 2313 1 19 . 1 1 28 28 GLY H H 28 8.487 8.487 8.170 0.317 19833 2314 1 19 . 1 1 29 29 LYS N N 29 120.511 120.511 118.812 1.699 19833 2315 1 19 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.006 0.411 19833 2316 1 19 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.576 -0.521 19833 2317 1 19 . 1 1 29 29 LYS CB C 29 33.128 33.128 30.548 2.580 19833 2318 1 19 . 1 1 29 29 LYS H H 29 8.116 8.116 8.224 -0.108 19833 2319 1 20 . 1 1 2 2 LYS N N 2 124.507 124.507 122.736 1.771 19833 2320 1 20 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.339 0.059 19833 2321 1 20 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.604 0.374 19833 2322 1 20 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.824 0.296 19833 2323 1 20 . 1 1 2 2 LYS H H 2 9.055 9.055 8.509 0.546 19833 2324 1 20 . 1 1 3 3 THR N N 3 116.151 116.151 115.192 0.959 19833 2325 1 20 . 1 1 3 3 THR HA H 3 4.228 4.228 4.511 -0.283 19833 2326 1 20 . 1 1 3 3 THR CA C 3 64.622 64.622 60.573 4.049 19833 2327 1 20 . 1 1 3 3 THR CB C 3 69.037 69.037 68.490 0.547 19833 2328 1 20 . 1 1 3 3 THR H H 3 8.487 8.487 7.918 0.569 19833 2329 1 20 . 1 1 4 4 ILE N N 4 121.254 121.254 122.994 -1.740 19833 2330 1 20 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.047 0.073 19833 2331 1 20 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.659 1.146 19833 2332 1 20 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.774 0.358 19833 2333 1 20 . 1 1 4 4 ILE H H 4 8.561 8.561 8.116 0.445 19833 2334 1 20 . 1 1 5 5 LEU N N 5 119.718 119.718 119.523 0.195 19833 2335 1 20 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.975 0.223 19833 2336 1 20 . 1 1 5 5 LEU CA C 5 57.421 57.421 58.031 -0.610 19833 2337 1 20 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.980 0.287 19833 2338 1 20 . 1 1 5 5 LEU H H 5 7.944 7.944 8.129 -0.185 19833 2339 1 20 . 1 1 6 6 ARG N N 6 118.685 118.685 118.807 -0.122 19833 2340 1 20 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.085 0.058 19833 2341 1 20 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.228 0.637 19833 2342 1 20 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.319 0.542 19833 2343 1 20 . 1 1 6 6 ARG H H 6 8.013 8.013 7.778 0.235 19833 2344 1 20 . 1 1 7 7 PHE N N 7 118.774 118.774 121.097 -2.323 19833 2345 1 20 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.471 0.025 19833 2346 1 20 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.479 -0.142 19833 2347 1 20 . 1 1 7 7 PHE H H 7 7.950 7.950 7.815 0.135 19833 2348 1 20 . 1 1 8 8 VAL N N 8 116.545 116.545 119.414 -2.869 19833 2349 1 20 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.291 0.615 19833 2350 1 20 . 1 1 8 8 VAL CA C 8 65.115 65.115 66.311 -1.196 19833 2351 1 20 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.890 1.183 19833 2352 1 20 . 1 1 8 8 VAL H H 8 8.014 8.014 8.695 -0.681 19833 2353 1 20 . 1 1 9 9 ALA N N 9 121.564 121.564 122.414 -0.850 19833 2354 1 20 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.991 0.250 19833 2355 1 20 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.722 -1.084 19833 2356 1 20 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.915 0.732 19833 2357 1 20 . 1 1 9 9 ALA H H 9 8.087 8.087 7.897 0.190 19833 2358 1 20 . 1 1 10 10 GLY N N 10 104.760 104.760 105.318 -0.558 19833 2359 1 20 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.476 -1.062 19833 2360 1 20 . 1 1 10 10 GLY H H 10 8.143 8.143 7.838 0.305 19833 2361 1 20 . 1 1 11 11 TYR N N 11 121.166 121.166 122.653 -1.487 19833 2362 1 20 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.154 0.181 19833 2363 1 20 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.636 -0.504 19833 2364 1 20 . 1 1 11 11 TYR H H 11 8.010 8.010 7.563 0.447 19833 2365 1 20 . 1 1 12 12 ASP N N 12 119.461 119.461 120.052 -0.591 19833 2366 1 20 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.457 0.167 19833 2367 1 20 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.508 -1.002 19833 2368 1 20 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.728 -2.489 19833 2369 1 20 . 1 1 12 12 ASP H H 12 8.416 8.416 8.611 -0.195 19833 2370 1 20 . 1 1 13 13 ILE N N 13 120.538 120.538 119.459 1.079 19833 2371 1 20 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.881 0.121 19833 2372 1 20 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.473 -1.145 19833 2373 1 20 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.373 0.239 19833 2374 1 20 . 1 1 13 13 ILE H H 13 8.155 8.155 7.190 0.965 19833 2375 1 20 . 1 1 14 14 ALA N N 14 123.708 123.708 122.403 1.305 19833 2376 1 20 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.935 0.314 19833 2377 1 20 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.348 -1.428 19833 2378 1 20 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.829 1.156 19833 2379 1 20 . 1 1 14 14 ALA H H 14 8.276 8.276 8.251 0.025 19833 2380 1 20 . 1 1 15 15 SER N N 15 112.747 112.747 112.617 0.130 19833 2381 1 20 . 1 1 15 15 SER HA H 15 4.306 4.306 4.030 0.276 19833 2382 1 20 . 1 1 15 15 SER CA C 15 59.618 59.618 60.815 -1.197 19833 2383 1 20 . 1 1 15 15 SER CB C 15 63.522 63.522 63.145 0.377 19833 2384 1 20 . 1 1 15 15 SER H H 15 8.068 8.068 8.065 0.003 19833 2385 1 20 . 1 1 16 16 HIS N N 16 119.224 119.224 120.063 -0.839 19833 2386 1 20 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.495 0.212 19833 2387 1 20 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.256 -1.567 19833 2388 1 20 . 1 1 16 16 HIS H H 16 8.161 8.161 7.655 0.506 19833 2389 1 20 . 1 1 17 17 LYS N N 17 120.978 120.978 119.298 1.680 19833 2390 1 20 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.101 0.241 19833 2391 1 20 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.607 -1.739 19833 2392 1 20 . 1 1 17 17 LYS H H 17 8.083 8.083 8.084 -0.001 19833 2393 1 20 . 1 1 18 18 LYS N N 18 121.764 121.764 117.563 4.201 19833 2394 1 20 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.191 0.154 19833 2395 1 20 . 1 1 18 18 LYS CA C 18 56.667 56.667 57.000 -0.333 19833 2396 1 20 . 1 1 18 18 LYS H H 18 8.235 8.235 7.807 0.428 19833 2397 1 20 . 1 1 19 19 LYS N N 19 122.420 122.420 119.350 3.070 19833 2398 1 20 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.046 0.369 19833 2399 1 20 . 1 1 19 19 LYS CA C 19 56.747 56.747 56.872 -0.125 19833 2400 1 20 . 1 1 19 19 LYS CB C 19 33.447 33.447 31.001 2.446 19833 2401 1 20 . 1 1 19 19 LYS H H 19 8.397 8.397 7.995 0.402 19833 2402 1 20 . 1 1 20 20 THR N N 20 114.054 114.054 116.304 -2.250 19833 2403 1 20 . 1 1 20 20 THR HA H 20 4.417 4.417 4.484 -0.067 19833 2404 1 20 . 1 1 20 20 THR CA C 20 61.883 61.883 61.193 0.690 19833 2405 1 20 . 1 1 20 20 THR CB C 20 69.985 69.985 69.872 0.113 19833 2406 1 20 . 1 1 20 20 THR H H 20 8.093 8.093 8.090 0.003 19833 2407 1 20 . 1 1 21 21 GLY N N 21 110.822 110.822 113.976 -3.154 19833 2408 1 20 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.944 -0.605 19833 2409 1 20 . 1 1 21 21 GLY H H 21 8.360 8.360 8.423 -0.063 19833 2410 1 20 . 1 1 22 22 GLY N N 22 107.828 107.828 108.241 -0.413 19833 2411 1 20 . 1 1 22 22 GLY CA C 22 44.858 44.858 45.136 -0.278 19833 2412 1 20 . 1 1 22 22 GLY H H 22 8.144 8.144 8.036 0.108 19833 2413 1 20 . 1 1 23 23 TYR N N 23 119.305 119.305 121.651 -2.346 19833 2414 1 20 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.258 0.260 19833 2415 1 20 . 1 1 23 23 TYR H H 23 7.871 7.871 8.038 -0.167 19833 2416 1 20 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.396 -0.005 19833 2417 1 20 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.476 0.172 19833 2418 1 20 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.351 -0.647 19833 2419 1 20 . 1 1 25 25 TRP N N 25 113.569 113.569 115.752 -2.183 19833 2420 1 20 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.983 -0.593 19833 2421 1 20 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.130 -0.501 19833 2422 1 20 . 1 1 25 25 TRP H H 25 6.927 6.927 7.268 -0.341 19833 2423 1 20 . 1 1 26 26 GLU N N 26 120.107 120.107 121.150 -1.043 19833 2424 1 20 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.524 -0.055 19833 2425 1 20 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.993 -0.115 19833 2426 1 20 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.747 0.194 19833 2427 1 20 . 1 1 26 26 GLU H H 26 7.657 7.657 7.423 0.234 19833 2428 1 20 . 1 1 27 27 ARG N N 27 120.913 120.913 117.880 3.033 19833 2429 1 20 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.597 -0.232 19833 2430 1 20 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.627 0.916 19833 2431 1 20 . 1 1 27 27 ARG CB C 27 30.906 30.906 29.798 1.108 19833 2432 1 20 . 1 1 27 27 ARG H H 27 8.164 8.164 7.363 0.801 19833 2433 1 20 . 1 1 28 28 GLY N N 28 109.371 109.371 110.013 -0.642 19833 2434 1 20 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.801 -0.331 19833 2435 1 20 . 1 1 28 28 GLY H H 28 8.487 8.487 8.289 0.198 19833 2436 1 20 . 1 1 29 29 LYS N N 29 120.511 120.511 119.938 0.573 19833 2437 1 20 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.504 -0.087 19833 2438 1 20 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.596 -0.541 19833 2439 1 20 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.746 0.382 19833 2440 1 20 . 1 1 29 29 LYS H H 29 8.116 8.116 8.480 -0.364 19833 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 27 2.334 0.330 2.355 19833 2 1 1 "Average Difference" HA 32 0.289 -0.168 0.239 19833 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19833 4 1 1 "Average Difference" CA 24 1.111 0.091 1.131 19833 5 1 1 "Average Difference" CB 20 1.193 -0.375 1.162 19833 6 1 1 "Average Difference" HN 27 0.432 -0.188 0.397 19833 7 1 2 "Average Difference" N 27 2.283 0.386 2.294 19833 8 1 2 "Average Difference" HA 32 0.234 -0.103 0.213 19833 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19833 10 1 2 "Average Difference" CA 24 0.984 0.123 0.997 19833 11 1 2 "Average Difference" CB 20 1.056 -0.218 1.060 19833 12 1 2 "Average Difference" HN 27 0.374 -0.148 0.350 19833 13 1 3 "Average Difference" N 27 2.187 0.156 2.223 19833 14 1 3 "Average Difference" HA 32 0.266 -0.132 0.235 19833 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19833 16 1 3 "Average Difference" CA 24 1.208 0.041 1.233 19833 17 1 3 "Average Difference" CB 20 1.199 -0.356 1.175 19833 18 1 3 "Average Difference" HN 27 0.428 -0.194 0.389 19833 19 1 4 "Average Difference" N 27 1.974 0.242 1.996 19833 20 1 4 "Average Difference" HA 32 0.244 -0.083 0.233 19833 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19833 22 1 4 "Average Difference" CA 24 1.196 0.135 1.213 19833 23 1 4 "Average Difference" CB 20 1.030 -0.199 1.037 19833 24 1 4 "Average Difference" HN 27 0.413 -0.160 0.388 19833 25 1 5 "Average Difference" N 27 2.130 -0.040 2.170 19833 26 1 5 "Average Difference" HA 32 0.246 -0.146 0.201 19833 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19833 28 1 5 "Average Difference" CA 24 1.235 0.081 1.259 19833 29 1 5 "Average Difference" CB 20 1.081 -0.261 1.076 19833 30 1 5 "Average Difference" HN 27 0.430 -0.190 0.393 19833 31 1 6 "Average Difference" N 27 1.967 0.144 1.999 19833 32 1 6 "Average Difference" HA 32 0.256 -0.128 0.225 19833 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19833 34 1 6 "Average Difference" CA 24 1.191 0.115 1.210 19833 35 1 6 "Average Difference" CB 20 1.194 -0.382 1.160 19833 36 1 6 "Average Difference" HN 27 0.403 -0.183 0.366 19833 37 1 7 "Average Difference" N 27 2.243 0.389 2.251 19833 38 1 7 "Average Difference" HA 32 0.303 -0.194 0.236 19833 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19833 40 1 7 "Average Difference" CA 24 1.286 0.192 1.299 19833 41 1 7 "Average Difference" CB 20 1.101 -0.280 1.093 19833 42 1 7 "Average Difference" HN 27 0.396 -0.150 0.374 19833 43 1 8 "Average Difference" N 27 2.117 0.287 2.137 19833 44 1 8 "Average Difference" HA 32 0.255 -0.123 0.226 19833 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19833 46 1 8 "Average Difference" CA 24 1.159 0.179 1.169 19833 47 1 8 "Average Difference" CB 20 1.074 -0.205 1.082 19833 48 1 8 "Average Difference" HN 27 0.404 -0.128 0.391 19833 49 1 9 "Average Difference" N 27 2.407 0.424 2.415 19833 50 1 9 "Average Difference" HA 32 0.251 -0.110 0.229 19833 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19833 52 1 9 "Average Difference" CA 24 1.103 0.109 1.121 19833 53 1 9 "Average Difference" CB 20 1.020 -0.244 1.016 19833 54 1 9 "Average Difference" HN 27 0.412 -0.180 0.378 19833 55 1 10 "Average Difference" N 27 1.890 0.176 1.918 19833 56 1 10 "Average Difference" HA 32 0.242 -0.122 0.212 19833 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19833 58 1 10 "Average Difference" CA 24 1.198 0.122 1.217 19833 59 1 10 "Average Difference" CB 20 1.095 -0.221 1.100 19833 60 1 10 "Average Difference" HN 27 0.443 -0.212 0.397 19833 61 1 11 "Average Difference" N 27 2.164 0.680 2.093 19833 62 1 11 "Average Difference" HA 32 0.244 -0.123 0.214 19833 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19833 64 1 11 "Average Difference" CA 24 1.154 0.283 1.143 19833 65 1 11 "Average Difference" CB 20 1.165 -0.352 1.139 19833 66 1 11 "Average Difference" HN 27 0.398 -0.157 0.373 19833 67 1 12 "Average Difference" N 27 1.988 0.390 1.986 19833 68 1 12 "Average Difference" HA 32 0.282 -0.171 0.227 19833 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19833 70 1 12 "Average Difference" CA 24 1.167 0.107 1.187 19833 71 1 12 "Average Difference" CB 20 1.067 -0.176 1.080 19833 72 1 12 "Average Difference" HN 27 0.405 -0.174 0.372 19833 73 1 13 "Average Difference" N 27 2.014 0.364 2.019 19833 74 1 13 "Average Difference" HA 32 0.239 -0.127 0.206 19833 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19833 76 1 13 "Average Difference" CA 24 1.163 0.128 1.181 19833 77 1 13 "Average Difference" CB 20 1.078 -0.298 1.063 19833 78 1 13 "Average Difference" HN 27 0.397 -0.170 0.365 19833 79 1 14 "Average Difference" N 27 2.247 0.295 2.270 19833 80 1 14 "Average Difference" HA 32 0.240 -0.085 0.228 19833 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19833 82 1 14 "Average Difference" CA 24 1.014 0.127 1.028 19833 83 1 14 "Average Difference" CB 20 1.097 -0.235 1.100 19833 84 1 14 "Average Difference" HN 27 0.388 -0.142 0.368 19833 85 1 15 "Average Difference" N 27 2.360 0.673 2.305 19833 86 1 15 "Average Difference" HA 32 0.270 -0.168 0.215 19833 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19833 88 1 15 "Average Difference" CA 24 1.191 0.086 1.213 19833 89 1 15 "Average Difference" CB 20 1.084 -0.270 1.077 19833 90 1 15 "Average Difference" HN 27 0.390 -0.164 0.361 19833 91 1 16 "Average Difference" N 27 2.200 0.327 2.217 19833 92 1 16 "Average Difference" HA 32 0.246 -0.107 0.226 19833 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19833 94 1 16 "Average Difference" CA 24 1.242 0.165 1.258 19833 95 1 16 "Average Difference" CB 20 1.052 -0.185 1.062 19833 96 1 16 "Average Difference" HN 27 0.394 -0.149 0.372 19833 97 1 17 "Average Difference" N 27 2.405 0.404 2.416 19833 98 1 17 "Average Difference" HA 32 0.250 -0.120 0.223 19833 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19833 100 1 17 "Average Difference" CA 24 0.959 0.214 0.955 19833 101 1 17 "Average Difference" CB 20 1.016 -0.168 1.028 19833 102 1 17 "Average Difference" HN 27 0.374 -0.147 0.350 19833 103 1 18 "Average Difference" N 27 2.211 0.373 2.221 19833 104 1 18 "Average Difference" HA 32 0.282 -0.158 0.237 19833 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19833 106 1 18 "Average Difference" CA 24 1.131 0.113 1.149 19833 107 1 18 "Average Difference" CB 20 1.082 -0.245 1.081 19833 108 1 18 "Average Difference" HN 27 0.441 -0.171 0.414 19833 109 1 19 "Average Difference" N 27 2.106 0.081 2.144 19833 110 1 19 "Average Difference" HA 32 0.244 -0.118 0.217 19833 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19833 112 1 19 "Average Difference" CA 24 1.211 0.157 1.226 19833 113 1 19 "Average Difference" CB 20 1.195 -0.407 1.152 19833 114 1 19 "Average Difference" HN 27 0.426 -0.180 0.393 19833 115 1 20 "Average Difference" N 27 1.869 0.201 1.894 19833 116 1 20 "Average Difference" HA 32 0.237 -0.087 0.224 19833 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19833 118 1 20 "Average Difference" CA 24 1.186 0.221 1.190 19833 119 1 20 "Average Difference" CB 20 1.027 -0.231 1.027 19833 120 1 20 "Average Difference" HN 27 0.400 -0.168 0.370 19833 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 19833 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 124.507 124.507 122.062 2.445 19833 2 1 . 1 1 2 2 LYS HA H 2 4.398 4.398 4.344 0.054 19833 3 1 . 1 1 2 2 LYS CA C 2 57.978 57.978 57.889 0.089 19833 4 1 . 1 1 2 2 LYS CB C 2 33.120 33.120 32.735 0.385 19833 5 1 . 1 1 2 2 LYS H H 2 9.055 9.055 8.494 0.561 19833 6 1 . 1 1 3 3 THR N N 3 116.151 116.151 114.470 1.681 19833 7 1 . 1 1 3 3 THR HA H 3 4.228 4.228 4.504 -0.276 19833 8 1 . 1 1 3 3 THR CA C 3 64.622 64.622 60.680 3.942 19833 9 1 . 1 1 3 3 THR CB C 3 69.037 69.037 68.616 0.421 19833 10 1 . 1 1 3 3 THR H H 3 8.487 8.487 7.934 0.553 19833 11 1 . 1 1 4 4 ILE N N 4 121.254 121.254 123.334 -2.080 19833 12 1 . 1 1 4 4 ILE HA H 4 4.120 4.120 4.036 0.084 19833 13 1 . 1 1 4 4 ILE CA C 4 63.805 63.805 62.725 1.080 19833 14 1 . 1 1 4 4 ILE CB C 4 38.132 38.132 37.856 0.276 19833 15 1 . 1 1 4 4 ILE H H 4 8.561 8.561 7.969 0.592 19833 16 1 . 1 1 5 5 LEU N N 5 119.718 119.718 119.523 0.195 19833 17 1 . 1 1 5 5 LEU HA H 5 4.198 4.198 3.984 0.214 19833 18 1 . 1 1 5 5 LEU CA C 5 57.421 57.421 57.987 -0.566 19833 19 1 . 1 1 5 5 LEU CB C 5 41.267 41.267 40.916 0.351 19833 20 1 . 1 1 5 5 LEU H H 5 7.944 7.944 8.089 -0.145 19833 21 1 . 1 1 6 6 ARG N N 6 118.685 118.685 118.823 -0.138 19833 22 1 . 1 1 6 6 ARG HA H 6 4.143 4.143 4.084 0.059 19833 23 1 . 1 1 6 6 ARG CA C 6 58.865 58.865 58.229 0.636 19833 24 1 . 1 1 6 6 ARG CB C 6 29.861 29.861 29.325 0.536 19833 25 1 . 1 1 6 6 ARG H H 6 8.013 8.013 7.771 0.242 19833 26 1 . 1 1 7 7 PHE N N 7 118.774 118.774 121.139 -2.365 19833 27 1 . 1 1 7 7 PHE HA H 7 4.496 4.496 4.470 0.026 19833 28 1 . 1 1 7 7 PHE CB C 7 39.337 39.337 39.652 -0.315 19833 29 1 . 1 1 7 7 PHE H H 7 7.950 7.950 7.819 0.131 19833 30 1 . 1 1 8 8 VAL N N 8 116.545 116.545 119.071 -2.526 19833 31 1 . 1 1 8 8 VAL HA H 8 3.906 3.906 3.271 0.635 19833 32 1 . 1 1 8 8 VAL CA C 8 65.115 65.115 65.949 -0.834 19833 33 1 . 1 1 8 8 VAL CB C 8 32.073 32.073 30.751 1.322 19833 34 1 . 1 1 8 8 VAL H H 8 8.014 8.014 8.743 -0.729 19833 35 1 . 1 1 9 9 ALA N N 9 121.564 121.564 122.500 -0.936 19833 36 1 . 1 1 9 9 ALA HA H 9 4.241 4.241 3.999 0.242 19833 37 1 . 1 1 9 9 ALA CA C 9 54.638 54.638 55.648 -1.010 19833 38 1 . 1 1 9 9 ALA CB C 9 18.647 18.647 17.996 0.651 19833 39 1 . 1 1 9 9 ALA H H 9 8.087 8.087 7.922 0.165 19833 40 1 . 1 1 10 10 GLY N N 10 104.760 104.760 105.323 -0.563 19833 41 1 . 1 1 10 10 GLY CA C 10 45.414 45.414 46.474 -1.060 19833 42 1 . 1 1 10 10 GLY H H 10 8.143 8.143 7.839 0.304 19833 43 1 . 1 1 11 11 TYR N N 11 121.166 121.166 122.644 -1.478 19833 44 1 . 1 1 11 11 TYR HA H 11 4.335 4.335 4.158 0.177 19833 45 1 . 1 1 11 11 TYR CA C 11 60.132 60.132 60.639 -0.507 19833 46 1 . 1 1 11 11 TYR H H 11 8.010 8.010 7.553 0.457 19833 47 1 . 1 1 12 12 ASP N N 12 119.461 119.461 119.954 -0.493 19833 48 1 . 1 1 12 12 ASP HA H 12 4.624 4.624 4.454 0.170 19833 49 1 . 1 1 12 12 ASP CA C 12 56.506 56.506 57.342 -0.836 19833 50 1 . 1 1 12 12 ASP CB C 12 38.239 38.239 40.745 -2.506 19833 51 1 . 1 1 12 12 ASP H H 12 8.416 8.416 8.588 -0.172 19833 52 1 . 1 1 13 13 ILE N N 13 120.538 120.538 119.439 1.099 19833 53 1 . 1 1 13 13 ILE HA H 13 4.002 4.002 3.893 0.109 19833 54 1 . 1 1 13 13 ILE CA C 13 63.328 63.328 64.432 -1.104 19833 55 1 . 1 1 13 13 ILE CB C 13 38.612 38.612 38.352 0.260 19833 56 1 . 1 1 13 13 ILE H H 13 8.155 8.155 7.203 0.952 19833 57 1 . 1 1 14 14 ALA N N 14 123.708 123.708 122.265 1.443 19833 58 1 . 1 1 14 14 ALA HA H 14 4.249 4.249 3.931 0.318 19833 59 1 . 1 1 14 14 ALA CA C 14 53.920 53.920 55.369 -1.449 19833 60 1 . 1 1 14 14 ALA CB C 14 18.985 18.985 17.870 1.115 19833 61 1 . 1 1 14 14 ALA H H 14 8.276 8.276 8.282 -0.006 19833 62 1 . 1 1 15 15 SER N N 15 112.747 112.747 112.569 0.178 19833 63 1 . 1 1 15 15 SER HA H 15 4.306 4.306 3.988 0.318 19833 64 1 . 1 1 15 15 SER CA C 15 59.618 59.618 61.010 -1.392 19833 65 1 . 1 1 15 15 SER CB C 15 63.522 63.522 63.106 0.416 19833 66 1 . 1 1 15 15 SER H H 15 8.068 8.068 8.087 -0.019 19833 67 1 . 1 1 16 16 HIS N N 16 119.224 119.224 120.180 -0.956 19833 68 1 . 1 1 16 16 HIS HA H 16 4.707 4.707 4.453 0.254 19833 69 1 . 1 1 16 16 HIS CB C 16 28.688 28.688 30.122 -1.434 19833 70 1 . 1 1 16 16 HIS H H 16 8.161 8.161 7.654 0.507 19833 71 1 . 1 1 17 17 LYS N N 17 120.978 120.978 118.800 2.178 19833 72 1 . 1 1 17 17 LYS HA H 17 4.342 4.342 4.167 0.175 19833 73 1 . 1 1 17 17 LYS CA C 17 56.868 56.868 58.363 -1.495 19833 74 1 . 1 1 17 17 LYS H H 17 8.083 8.083 8.034 0.049 19833 75 1 . 1 1 18 18 LYS N N 18 121.764 121.764 117.669 4.095 19833 76 1 . 1 1 18 18 LYS HA H 18 4.345 4.345 4.206 0.139 19833 77 1 . 1 1 18 18 LYS CA C 18 56.667 56.667 56.823 -0.156 19833 78 1 . 1 1 18 18 LYS H H 18 8.235 8.235 7.820 0.415 19833 79 1 . 1 1 19 19 LYS N N 19 122.420 122.420 119.565 2.855 19833 80 1 . 1 1 19 19 LYS HA H 19 4.415 4.415 4.032 0.383 19833 81 1 . 1 1 19 19 LYS CA C 19 56.747 56.747 57.049 -0.302 19833 82 1 . 1 1 19 19 LYS CB C 19 33.447 33.447 30.941 2.505 19833 83 1 . 1 1 19 19 LYS H H 19 8.397 8.397 7.958 0.439 19833 84 1 . 1 1 20 20 THR N N 20 114.054 114.054 116.982 -2.928 19833 85 1 . 1 1 20 20 THR HA H 20 4.417 4.417 4.377 0.040 19833 86 1 . 1 1 20 20 THR CA C 20 61.883 61.883 61.446 0.437 19833 87 1 . 1 1 20 20 THR CB C 20 69.985 69.985 69.867 0.118 19833 88 1 . 1 1 20 20 THR H H 20 8.093 8.093 8.086 0.007 19833 89 1 . 1 1 21 21 GLY N N 21 110.822 110.822 112.641 -1.819 19833 90 1 . 1 1 21 21 GLY CA C 21 45.340 45.340 45.181 0.159 19833 91 1 . 1 1 21 21 GLY H H 21 8.360 8.360 8.387 -0.027 19833 92 1 . 1 1 22 22 GLY N N 22 107.828 107.828 109.926 -2.098 19833 93 1 . 1 1 22 22 GLY CA C 22 44.858 44.858 44.808 0.050 19833 94 1 . 1 1 22 22 GLY H H 22 8.144 8.144 7.943 0.201 19833 95 1 . 1 1 23 23 TYR N N 23 119.305 119.305 123.323 -4.018 19833 96 1 . 1 1 23 23 TYR HA H 23 4.518 4.518 4.178 0.340 19833 97 1 . 1 1 23 23 TYR H H 23 7.871 7.871 8.136 -0.265 19833 98 1 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.396 -0.005 19833 99 1 . 1 1 24 24 PRO CA C 24 64.648 64.648 64.586 0.062 19833 100 1 . 1 1 24 24 PRO CB C 24 31.704 31.704 32.307 -0.603 19833 101 1 . 1 1 25 25 TRP N N 25 113.569 113.569 116.372 -2.803 19833 102 1 . 1 1 25 25 TRP HA H 25 4.390 4.390 4.912 -0.522 19833 103 1 . 1 1 25 25 TRP CB C 25 28.629 28.629 29.117 -0.488 19833 104 1 . 1 1 25 25 TRP H H 25 6.927 6.927 7.250 -0.324 19833 105 1 . 1 1 26 26 GLU N N 26 120.107 120.107 121.746 -1.639 19833 106 1 . 1 1 26 26 GLU HA H 26 4.469 4.469 4.541 -0.072 19833 107 1 . 1 1 26 26 GLU CA C 26 55.878 55.878 55.986 -0.108 19833 108 1 . 1 1 26 26 GLU CB C 26 28.941 28.941 28.108 0.833 19833 109 1 . 1 1 26 26 GLU H H 26 7.657 7.657 7.535 0.122 19833 110 1 . 1 1 27 27 ARG N N 27 120.913 120.913 119.552 1.361 19833 111 1 . 1 1 27 27 ARG HA H 27 4.365 4.365 4.488 -0.123 19833 112 1 . 1 1 27 27 ARG CA C 27 56.543 56.543 55.759 0.784 19833 113 1 . 1 1 27 27 ARG CB C 27 30.906 30.906 30.073 0.833 19833 114 1 . 1 1 27 27 ARG H H 27 8.164 8.164 7.642 0.522 19833 115 1 . 1 1 28 28 GLY N N 28 109.371 109.371 108.627 0.744 19833 116 1 . 1 1 28 28 GLY CA C 28 45.470 45.470 45.006 0.464 19833 117 1 . 1 1 28 28 GLY H H 28 8.487 8.487 8.325 0.162 19833 118 1 . 1 1 29 29 LYS N N 29 120.511 120.511 120.425 0.086 19833 119 1 . 1 1 29 29 LYS HA H 29 4.417 4.417 4.369 0.048 19833 120 1 . 1 1 29 29 LYS CA C 29 56.055 56.055 56.285 -0.230 19833 121 1 . 1 1 29 29 LYS CB C 29 33.128 33.128 32.497 0.631 19833 122 1 . 1 1 29 29 LYS H H 29 8.116 8.116 8.281 -0.165 19833 stop_ save_