data_19259 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19259 _Entry.PDB_ID 2M8J 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 19259 _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 LEU HA H 2 4.363 4.363 4.085 0.278 19259 2 1 1 . 1 1 2 2 LEU C C 2 177.746 177.746 177.108 0.638 19259 3 1 1 . 1 1 2 2 LEU CA C 2 55.603 55.603 56.438 -0.835 19259 4 1 1 . 1 1 2 2 LEU CB C 2 42.291 42.291 40.471 1.820 19259 5 1 1 . 1 1 3 3 GLU N N 3 121.500 121.500 118.821 2.679 19259 6 1 1 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.437 -0.191 19259 7 1 1 . 1 1 3 3 GLU C C 3 176.318 176.318 175.217 1.101 19259 8 1 1 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.405 1.737 19259 9 1 1 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.341 -0.631 19259 10 1 1 . 1 1 3 3 GLU H H 3 8.898 8.898 8.207 0.691 19259 11 1 1 . 1 1 4 4 HIS N N 4 120.262 120.262 117.884 2.378 19259 12 1 1 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.892 -0.260 19259 13 1 1 . 1 1 4 4 HIS C C 4 175.449 175.449 175.065 0.384 19259 14 1 1 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.244 1.370 19259 15 1 1 . 1 1 4 4 HIS CB C 4 30.860 30.860 31.612 -0.752 19259 16 1 1 . 1 1 4 4 HIS H H 4 8.307 8.307 8.223 0.084 19259 17 1 1 . 1 1 5 5 MET N N 5 122.219 122.219 121.015 1.204 19259 18 1 1 . 1 1 5 5 MET HA H 5 4.473 4.473 4.761 -0.288 19259 19 1 1 . 1 1 5 5 MET C C 5 175.854 175.854 175.721 0.133 19259 20 1 1 . 1 1 5 5 MET CA C 5 55.366 55.366 54.598 0.768 19259 21 1 1 . 1 1 5 5 MET CB C 5 32.921 32.921 32.111 0.810 19259 22 1 1 . 1 1 5 5 MET H H 5 8.241 8.241 8.591 -0.350 19259 23 1 1 . 1 1 6 6 ALA N N 6 125.321 125.321 124.906 0.415 19259 24 1 1 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.366 -0.048 19259 25 1 1 . 1 1 6 6 ALA C C 6 177.612 177.612 178.067 -0.455 19259 26 1 1 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.266 1.429 19259 27 1 1 . 1 1 6 6 ALA CB C 6 19.305 19.305 20.039 -0.734 19259 28 1 1 . 1 1 6 6 ALA H H 6 8.388 8.388 8.226 0.162 19259 29 1 1 . 1 1 7 7 ASP N N 7 119.856 119.856 118.478 1.378 19259 30 1 1 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.491 0.107 19259 31 1 1 . 1 1 7 7 ASP C C 7 176.539 176.539 177.204 -0.665 19259 32 1 1 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.729 -1.147 19259 33 1 1 . 1 1 7 7 ASP CB C 7 41.228 41.228 40.823 0.405 19259 34 1 1 . 1 1 7 7 ASP H H 7 8.389 8.389 8.653 -0.264 19259 35 1 1 . 1 1 8 8 GLU N N 8 121.214 121.214 119.681 1.533 19259 36 1 1 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.065 0.218 19259 37 1 1 . 1 1 8 8 GLU C C 8 176.568 176.568 177.573 -1.005 19259 38 1 1 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.459 -1.681 19259 39 1 1 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.432 0.943 19259 40 1 1 . 1 1 8 8 GLU H H 8 8.418 8.418 8.380 0.038 19259 41 1 1 . 1 1 9 9 GLU N N 9 122.013 122.013 118.335 3.678 19259 42 1 1 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.314 -0.051 19259 43 1 1 . 1 1 9 9 GLU C C 9 176.229 176.229 176.330 -0.101 19259 44 1 1 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.609 -1.133 19259 45 1 1 . 1 1 9 9 GLU CB C 9 30.398 30.398 30.341 0.057 19259 46 1 1 . 1 1 9 9 GLU H H 9 8.432 8.432 7.671 0.761 19259 47 1 1 . 1 1 10 10 LYS N N 10 123.906 123.906 120.641 3.265 19259 48 1 1 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.437 -0.115 19259 49 1 1 . 1 1 10 10 LYS C C 10 176.291 176.291 175.565 0.726 19259 50 1 1 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.941 1.454 19259 51 1 1 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.814 0.820 19259 52 1 1 . 1 1 10 10 LYS H H 10 8.355 8.355 7.355 1.000 19259 53 1 1 . 1 1 11 11 LEU N N 11 125.459 125.459 123.900 1.559 19259 54 1 1 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.087 0.615 19259 55 1 1 . 1 1 11 11 LEU C C 11 174.150 174.150 176.247 -2.097 19259 56 1 1 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.442 -0.784 19259 57 1 1 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.492 1.958 19259 58 1 1 . 1 1 11 11 LEU H H 11 8.640 8.640 8.117 0.523 19259 59 1 1 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.652 0.232 19259 60 1 1 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.361 0.185 19259 61 1 1 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.812 -0.948 19259 62 1 1 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.323 0.065 19259 63 1 1 . 1 1 13 13 PRO C C 13 177.111 177.111 177.930 -0.819 19259 64 1 1 . 1 1 13 13 PRO CA C 13 64.395 64.395 63.994 0.401 19259 65 1 1 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.659 0.358 19259 66 1 1 . 1 1 14 14 GLY N N 14 111.924 111.924 110.371 1.553 19259 67 1 1 . 1 1 14 14 GLY C C 14 172.870 172.870 173.881 -1.011 19259 68 1 1 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.806 0.197 19259 69 1 1 . 1 1 14 14 GLY H H 14 8.807 8.807 8.779 0.028 19259 70 1 1 . 1 1 15 15 TRP N N 15 117.136 117.136 121.046 -3.910 19259 71 1 1 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.096 0.230 19259 72 1 1 . 1 1 15 15 TRP C C 15 176.588 176.588 176.040 0.548 19259 73 1 1 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.275 -0.083 19259 74 1 1 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.838 1.761 19259 75 1 1 . 1 1 15 15 TRP H H 15 7.409 7.409 7.706 -0.297 19259 76 1 1 . 1 1 16 16 GLU N N 16 120.872 120.872 119.626 1.246 19259 77 1 1 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.791 0.084 19259 78 1 1 . 1 1 16 16 GLU C C 16 174.090 174.090 174.879 -0.789 19259 79 1 1 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.243 -0.442 19259 80 1 1 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.062 0.656 19259 81 1 1 . 1 1 16 16 GLU H H 16 9.858 9.858 8.975 0.883 19259 82 1 1 . 1 1 17 17 LYS N N 17 125.521 125.521 127.064 -1.543 19259 83 1 1 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.916 -0.463 19259 84 1 1 . 1 1 17 17 LYS C C 17 175.474 175.474 175.960 -0.486 19259 85 1 1 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.330 -0.089 19259 86 1 1 . 1 1 17 17 LYS CB C 17 33.977 33.977 32.665 1.312 19259 87 1 1 . 1 1 17 17 LYS H H 17 8.980 8.980 8.763 0.217 19259 88 1 1 . 1 1 18 18 ARG N N 18 127.083 127.083 125.127 1.956 19259 89 1 1 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.683 -0.230 19259 90 1 1 . 1 1 18 18 ARG C C 18 173.135 173.135 173.835 -0.700 19259 91 1 1 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.639 0.973 19259 92 1 1 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.961 0.667 19259 93 1 1 . 1 1 18 18 ARG H H 18 8.829 8.829 8.302 0.527 19259 94 1 1 . 1 1 19 19 MET N N 19 117.317 117.317 119.414 -2.097 19259 95 1 1 . 1 1 19 19 MET HA H 19 5.027 5.027 5.214 -0.187 19259 96 1 1 . 1 1 19 19 MET C C 19 176.132 176.132 174.937 1.195 19259 97 1 1 . 1 1 19 19 MET CA C 19 54.195 54.195 54.257 -0.062 19259 98 1 1 . 1 1 19 19 MET CB C 19 35.215 35.215 36.360 -1.145 19259 99 1 1 . 1 1 19 19 MET H H 19 8.131 8.131 8.425 -0.294 19259 100 1 1 . 1 1 20 20 GLU N N 20 129.506 129.506 124.162 5.344 19259 101 1 1 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.428 0.161 19259 102 1 1 . 1 1 20 20 GLU C C 20 176.857 176.857 177.426 -0.569 19259 103 1 1 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.488 0.101 19259 104 1 1 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.904 -0.745 19259 105 1 1 . 1 1 20 20 GLU H H 20 9.531 9.531 8.866 0.665 19259 106 1 1 . 1 1 21 21 ARG N N 21 129.016 129.016 126.528 2.488 19259 107 1 1 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.255 -0.262 19259 108 1 1 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.169 1.439 19259 109 1 1 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.755 0.338 19259 110 1 1 . 1 1 21 21 ARG H H 21 8.991 8.991 8.911 0.080 19259 111 1 1 . 1 1 22 22 SER HA H 22 4.244 4.244 4.294 -0.050 19259 112 1 1 . 1 1 22 22 SER CA C 22 61.081 61.081 61.013 0.068 19259 113 1 1 . 1 1 22 22 SER CB C 22 62.480 62.480 63.217 -0.737 19259 114 1 1 . 1 1 23 23 SER N N 23 114.105 114.105 113.936 0.169 19259 115 1 1 . 1 1 23 23 SER HA H 23 4.628 4.628 4.621 0.007 19259 116 1 1 . 1 1 23 23 SER C C 23 176.288 176.288 173.796 2.492 19259 117 1 1 . 1 1 23 23 SER CA C 23 58.442 58.442 58.393 0.049 19259 118 1 1 . 1 1 23 23 SER CB C 23 65.782 65.782 64.502 1.280 19259 119 1 1 . 1 1 23 23 SER H H 23 7.884 7.884 7.874 0.010 19259 120 1 1 . 1 1 24 24 GLY N N 24 113.237 113.237 111.459 1.778 19259 121 1 1 . 1 1 24 24 GLY C C 24 173.669 173.669 173.252 0.417 19259 122 1 1 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.241 0.907 19259 123 1 1 . 1 1 24 24 GLY H H 24 8.434 8.434 7.924 0.510 19259 124 1 1 . 1 1 25 25 ARG N N 25 120.269 120.269 121.034 -0.765 19259 125 1 1 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.795 -0.391 19259 126 1 1 . 1 1 25 25 ARG C C 25 175.948 175.948 175.138 0.810 19259 127 1 1 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.623 2.263 19259 128 1 1 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.438 -0.717 19259 129 1 1 . 1 1 25 25 ARG H H 25 8.058 8.058 7.716 0.342 19259 130 1 1 . 1 1 26 26 VAL N N 26 124.651 124.651 127.688 -3.037 19259 131 1 1 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.843 -0.101 19259 132 1 1 . 1 1 26 26 VAL C C 26 175.406 175.406 175.886 -0.480 19259 133 1 1 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.246 -1.080 19259 134 1 1 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.343 0.773 19259 135 1 1 . 1 1 26 26 VAL H H 26 8.508 8.508 8.768 -0.260 19259 136 1 1 . 1 1 27 27 TYR N N 27 121.966 121.966 121.263 0.703 19259 137 1 1 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.398 0.484 19259 138 1 1 . 1 1 27 27 TYR C C 27 170.726 170.726 172.155 -1.429 19259 139 1 1 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.965 -0.510 19259 140 1 1 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.651 1.037 19259 141 1 1 . 1 1 27 27 TYR H H 27 8.664 8.664 8.849 -0.185 19259 142 1 1 . 1 1 28 28 TYR N N 28 116.945 116.945 116.403 0.542 19259 143 1 1 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.215 0.056 19259 144 1 1 . 1 1 28 28 TYR C C 28 174.230 174.230 174.481 -0.251 19259 145 1 1 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.795 1.411 19259 146 1 1 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.260 0.088 19259 147 1 1 . 1 1 28 28 TYR H H 28 9.005 9.005 8.820 0.185 19259 148 1 1 . 1 1 29 29 PHE N N 29 124.745 124.745 123.039 1.706 19259 149 1 1 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.138 0.471 19259 150 1 1 . 1 1 29 29 PHE C C 29 172.658 172.658 173.444 -0.786 19259 151 1 1 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.324 -0.312 19259 152 1 1 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.380 1.057 19259 153 1 1 . 1 1 29 29 PHE H H 29 9.452 9.452 9.539 -0.087 19259 154 1 1 . 1 1 30 30 ASN N N 30 128.963 128.963 126.299 2.664 19259 155 1 1 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.495 -0.049 19259 156 1 1 . 1 1 30 30 ASN C C 30 174.664 174.664 175.991 -1.327 19259 157 1 1 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.615 0.004 19259 158 1 1 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.590 0.583 19259 159 1 1 . 1 1 30 30 ASN H H 30 8.122 8.122 8.044 0.078 19259 160 1 1 . 1 1 31 31 HIS N N 31 121.463 121.463 125.698 -4.235 19259 161 1 1 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.767 -0.649 19259 162 1 1 . 1 1 31 31 HIS C C 31 176.235 176.235 176.256 -0.021 19259 163 1 1 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.944 -0.085 19259 164 1 1 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.761 0.711 19259 165 1 1 . 1 1 31 31 HIS H H 31 8.207 8.207 8.936 -0.729 19259 166 1 1 . 1 1 32 32 ILE N N 32 121.544 121.544 120.767 0.777 19259 167 1 1 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.817 0.044 19259 168 1 1 . 1 1 32 32 ILE C C 32 178.224 178.224 177.556 0.668 19259 169 1 1 . 1 1 32 32 ILE CA C 32 63.411 63.411 64.015 -0.604 19259 170 1 1 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.148 -0.950 19259 171 1 1 . 1 1 32 32 ILE H H 32 8.264 8.264 7.965 0.299 19259 172 1 1 . 1 1 33 33 THR N N 33 107.975 107.975 112.231 -4.256 19259 173 1 1 . 1 1 33 33 THR HA H 33 4.119 4.119 4.239 -0.120 19259 174 1 1 . 1 1 33 33 THR C C 33 176.113 176.113 174.279 1.834 19259 175 1 1 . 1 1 33 33 THR CA C 33 61.307 61.307 61.056 0.251 19259 176 1 1 . 1 1 33 33 THR CB C 33 70.083 70.083 69.237 0.845 19259 177 1 1 . 1 1 33 33 THR H H 33 7.434 7.434 7.361 0.073 19259 178 1 1 . 1 1 34 34 ASN N N 34 118.294 118.294 118.236 0.058 19259 179 1 1 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.253 -0.131 19259 180 1 1 . 1 1 34 34 ASN C C 34 173.358 173.358 173.381 -0.023 19259 181 1 1 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.102 0.946 19259 182 1 1 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.274 0.326 19259 183 1 1 . 1 1 34 34 ASN H H 34 8.094 8.094 7.823 0.271 19259 184 1 1 . 1 1 35 35 ALA N N 35 121.778 121.778 122.038 -0.260 19259 185 1 1 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.579 -0.126 19259 186 1 1 . 1 1 35 35 ALA C C 35 175.421 175.421 174.935 0.486 19259 187 1 1 . 1 1 35 35 ALA CA C 35 52.057 52.057 50.832 1.225 19259 188 1 1 . 1 1 35 35 ALA CB C 35 20.874 20.874 21.780 -0.906 19259 189 1 1 . 1 1 35 35 ALA H H 35 7.132 7.132 7.548 -0.416 19259 190 1 1 . 1 1 36 36 SER N N 36 112.243 112.243 112.374 -0.131 19259 191 1 1 . 1 1 36 36 SER HA H 36 6.027 6.027 5.066 0.961 19259 192 1 1 . 1 1 36 36 SER C C 36 174.068 174.068 173.402 0.666 19259 193 1 1 . 1 1 36 36 SER CA C 36 56.932 56.932 57.726 -0.794 19259 194 1 1 . 1 1 36 36 SER CB C 36 66.691 66.691 65.760 0.931 19259 195 1 1 . 1 1 36 36 SER H H 36 8.293 8.293 8.192 0.101 19259 196 1 1 . 1 1 37 37 GLN N N 37 116.909 116.909 120.201 -3.292 19259 197 1 1 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.634 0.228 19259 198 1 1 . 1 1 37 37 GLN C C 37 174.646 174.646 174.216 0.430 19259 199 1 1 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.670 -0.892 19259 200 1 1 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.824 -0.772 19259 201 1 1 . 1 1 37 37 GLN H H 37 9.371 9.371 9.191 0.180 19259 202 1 1 . 1 1 38 38 TRP N N 38 120.433 120.433 118.722 1.711 19259 203 1 1 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.615 0.370 19259 204 1 1 . 1 1 38 38 TRP C C 38 177.071 177.071 175.925 1.146 19259 205 1 1 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.799 1.019 19259 206 1 1 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.337 0.287 19259 207 1 1 . 1 1 38 38 TRP H H 38 8.547 8.547 8.999 -0.452 19259 208 1 1 . 1 1 39 39 GLU N N 39 117.074 117.074 119.642 -2.568 19259 209 1 1 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.508 -0.057 19259 210 1 1 . 1 1 39 39 GLU C C 39 175.702 175.702 176.348 -0.646 19259 211 1 1 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.991 -0.199 19259 212 1 1 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.200 0.131 19259 213 1 1 . 1 1 39 39 GLU H H 39 8.065 8.065 8.127 -0.062 19259 214 1 1 . 1 1 40 40 ARG N N 40 125.177 125.177 123.369 1.808 19259 215 1 1 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.877 -1.213 19259 216 1 1 . 1 1 40 40 ARG C C 40 174.604 174.604 174.861 -0.257 19259 217 1 1 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.307 -1.092 19259 218 1 1 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.273 0.790 19259 219 1 1 . 1 1 40 40 ARG H H 40 8.549 8.549 8.588 -0.039 19259 220 1 1 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.037 -0.106 19259 221 1 1 . 1 1 41 41 PRO C C 41 175.431 175.431 175.772 -0.341 19259 222 1 1 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.873 0.096 19259 223 1 1 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.216 0.146 19259 224 1 1 . 1 1 42 42 SER N N 42 115.527 115.527 114.541 0.986 19259 225 1 1 . 1 1 42 42 SER HA H 42 4.321 4.321 4.461 -0.140 19259 226 1 1 . 1 1 42 42 SER C C 42 173.826 173.826 173.943 -0.117 19259 227 1 1 . 1 1 42 42 SER CA C 42 57.886 57.886 57.744 0.142 19259 228 1 1 . 1 1 42 42 SER CB C 42 64.524 64.524 65.306 -0.782 19259 229 1 1 . 1 1 42 42 SER H H 42 8.201 8.201 7.898 0.303 19259 230 1 2 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.127 0.236 19259 231 1 2 . 1 1 2 2 LEU C C 2 177.746 177.746 177.677 0.069 19259 232 1 2 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.403 1.200 19259 233 1 2 . 1 1 2 2 LEU CB C 2 42.291 42.291 41.744 0.547 19259 234 1 2 . 1 1 3 3 GLU N N 3 121.500 121.500 124.620 -3.120 19259 235 1 2 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.049 0.197 19259 236 1 2 . 1 1 3 3 GLU C C 3 176.318 176.318 176.577 -0.259 19259 237 1 2 . 1 1 3 3 GLU CA C 3 57.142 57.142 58.410 -1.268 19259 238 1 2 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.756 -0.046 19259 239 1 2 . 1 1 3 3 GLU H H 3 8.898 8.898 8.591 0.307 19259 240 1 2 . 1 1 4 4 HIS N N 4 120.262 120.262 113.287 6.975 19259 241 1 2 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.525 0.107 19259 242 1 2 . 1 1 4 4 HIS C C 4 175.449 175.449 175.142 0.307 19259 243 1 2 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.096 1.518 19259 244 1 2 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.098 1.762 19259 245 1 2 . 1 1 4 4 HIS H H 4 8.307 8.307 7.878 0.429 19259 246 1 2 . 1 1 5 5 MET N N 5 122.219 122.219 119.647 2.572 19259 247 1 2 . 1 1 5 5 MET HA H 5 4.473 4.473 4.502 -0.029 19259 248 1 2 . 1 1 5 5 MET C C 5 175.854 175.854 175.336 0.518 19259 249 1 2 . 1 1 5 5 MET CA C 5 55.366 55.366 55.795 -0.429 19259 250 1 2 . 1 1 5 5 MET CB C 5 32.921 32.921 33.275 -0.354 19259 251 1 2 . 1 1 5 5 MET H H 5 8.241 8.241 7.228 1.013 19259 252 1 2 . 1 1 6 6 ALA N N 6 125.321 125.321 122.127 3.194 19259 253 1 2 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.544 -0.226 19259 254 1 2 . 1 1 6 6 ALA C C 6 177.612 177.612 175.846 1.766 19259 255 1 2 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.937 0.758 19259 256 1 2 . 1 1 6 6 ALA CB C 6 19.305 19.305 20.754 -1.449 19259 257 1 2 . 1 1 6 6 ALA H H 6 8.388 8.388 8.032 0.356 19259 258 1 2 . 1 1 7 7 ASP N N 7 119.856 119.856 118.367 1.489 19259 259 1 2 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.613 -0.015 19259 260 1 2 . 1 1 7 7 ASP C C 7 176.539 176.539 177.327 -0.788 19259 261 1 2 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.037 -0.455 19259 262 1 2 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.297 -0.069 19259 263 1 2 . 1 1 7 7 ASP H H 7 8.389 8.389 8.555 -0.166 19259 264 1 2 . 1 1 8 8 GLU N N 8 121.214 121.214 119.627 1.587 19259 265 1 2 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.036 0.247 19259 266 1 2 . 1 1 8 8 GLU C C 8 176.568 176.568 177.354 -0.786 19259 267 1 2 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.320 -1.542 19259 268 1 2 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.225 1.150 19259 269 1 2 . 1 1 8 8 GLU H H 8 8.418 8.418 8.476 -0.058 19259 270 1 2 . 1 1 9 9 GLU N N 9 122.013 122.013 117.851 4.162 19259 271 1 2 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.237 0.026 19259 272 1 2 . 1 1 9 9 GLU C C 9 176.229 176.229 176.428 -0.199 19259 273 1 2 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.652 -0.176 19259 274 1 2 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.784 0.614 19259 275 1 2 . 1 1 9 9 GLU H H 9 8.432 8.432 8.257 0.175 19259 276 1 2 . 1 1 10 10 LYS N N 10 123.906 123.906 120.654 3.252 19259 277 1 2 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.379 -0.057 19259 278 1 2 . 1 1 10 10 LYS C C 10 176.291 176.291 176.167 0.124 19259 279 1 2 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.819 1.575 19259 280 1 2 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.234 0.399 19259 281 1 2 . 1 1 10 10 LYS H H 10 8.355 8.355 7.745 0.610 19259 282 1 2 . 1 1 11 11 LEU N N 11 125.459 125.459 126.719 -1.260 19259 283 1 2 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.186 0.516 19259 284 1 2 . 1 1 11 11 LEU C C 11 174.150 174.150 175.906 -1.756 19259 285 1 2 . 1 1 11 11 LEU CA C 11 52.658 52.658 52.861 -0.202 19259 286 1 2 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.390 2.060 19259 287 1 2 . 1 1 11 11 LEU H H 11 8.640 8.640 8.369 0.271 19259 288 1 2 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.676 0.208 19259 289 1 2 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.199 0.347 19259 290 1 2 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.973 -1.109 19259 291 1 2 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.328 0.060 19259 292 1 2 . 1 1 13 13 PRO C C 13 177.111 177.111 177.453 -0.342 19259 293 1 2 . 1 1 13 13 PRO CA C 13 64.395 64.395 63.961 0.434 19259 294 1 2 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.191 0.826 19259 295 1 2 . 1 1 14 14 GLY N N 14 111.924 111.924 110.922 1.002 19259 296 1 2 . 1 1 14 14 GLY C C 14 172.870 172.870 173.574 -0.704 19259 297 1 2 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.525 0.478 19259 298 1 2 . 1 1 14 14 GLY H H 14 8.807 8.807 8.396 0.411 19259 299 1 2 . 1 1 15 15 TRP N N 15 117.136 117.136 121.506 -4.370 19259 300 1 2 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.173 0.153 19259 301 1 2 . 1 1 15 15 TRP C C 15 176.588 176.588 176.422 0.166 19259 302 1 2 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.062 0.129 19259 303 1 2 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.594 2.005 19259 304 1 2 . 1 1 15 15 TRP H H 15 7.409 7.409 7.788 -0.379 19259 305 1 2 . 1 1 16 16 GLU N N 16 120.872 120.872 121.983 -1.111 19259 306 1 2 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.729 0.146 19259 307 1 2 . 1 1 16 16 GLU C C 16 174.090 174.090 175.197 -1.107 19259 308 1 2 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.348 -0.547 19259 309 1 2 . 1 1 16 16 GLU CB C 16 34.718 34.718 33.845 0.873 19259 310 1 2 . 1 1 16 16 GLU H H 16 9.858 9.858 9.178 0.680 19259 311 1 2 . 1 1 17 17 LYS N N 17 125.521 125.521 127.488 -1.967 19259 312 1 2 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.670 -0.217 19259 313 1 2 . 1 1 17 17 LYS C C 17 175.474 175.474 176.081 -0.607 19259 314 1 2 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.919 -0.678 19259 315 1 2 . 1 1 17 17 LYS CB C 17 33.977 33.977 32.686 1.291 19259 316 1 2 . 1 1 17 17 LYS H H 17 8.980 8.980 8.755 0.225 19259 317 1 2 . 1 1 18 18 ARG N N 18 127.083 127.083 125.379 1.704 19259 318 1 2 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.645 -0.192 19259 319 1 2 . 1 1 18 18 ARG C C 18 173.135 173.135 173.783 -0.648 19259 320 1 2 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.360 1.252 19259 321 1 2 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.357 1.271 19259 322 1 2 . 1 1 18 18 ARG H H 18 8.829 8.829 8.308 0.521 19259 323 1 2 . 1 1 19 19 MET N N 19 117.317 117.317 119.361 -2.044 19259 324 1 2 . 1 1 19 19 MET HA H 19 5.027 5.027 5.157 -0.130 19259 325 1 2 . 1 1 19 19 MET C C 19 176.132 176.132 175.061 1.071 19259 326 1 2 . 1 1 19 19 MET CA C 19 54.195 54.195 54.490 -0.295 19259 327 1 2 . 1 1 19 19 MET CB C 19 35.215 35.215 36.346 -1.131 19259 328 1 2 . 1 1 19 19 MET H H 19 8.131 8.131 8.429 -0.298 19259 329 1 2 . 1 1 20 20 GLU N N 20 129.506 129.506 123.839 5.667 19259 330 1 2 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.457 0.132 19259 331 1 2 . 1 1 20 20 GLU C C 20 176.857 176.857 177.361 -0.504 19259 332 1 2 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.634 -0.045 19259 333 1 2 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.933 -0.774 19259 334 1 2 . 1 1 20 20 GLU H H 20 9.531 9.531 8.877 0.654 19259 335 1 2 . 1 1 21 21 ARG N N 21 129.016 129.016 127.265 1.751 19259 336 1 2 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.253 -0.260 19259 337 1 2 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.350 1.258 19259 338 1 2 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.120 -0.029 19259 339 1 2 . 1 1 21 21 ARG H H 21 8.991 8.991 8.843 0.148 19259 340 1 2 . 1 1 22 22 SER HA H 22 4.244 4.244 4.287 -0.043 19259 341 1 2 . 1 1 22 22 SER CA C 22 61.081 61.081 60.520 0.561 19259 342 1 2 . 1 1 22 22 SER CB C 22 62.480 62.480 63.202 -0.722 19259 343 1 2 . 1 1 23 23 SER N N 23 114.105 114.105 113.251 0.854 19259 344 1 2 . 1 1 23 23 SER HA H 23 4.628 4.628 4.591 0.037 19259 345 1 2 . 1 1 23 23 SER C C 23 176.288 176.288 174.033 2.255 19259 346 1 2 . 1 1 23 23 SER CA C 23 58.442 58.442 58.361 0.081 19259 347 1 2 . 1 1 23 23 SER CB C 23 65.782 65.782 65.407 0.375 19259 348 1 2 . 1 1 23 23 SER H H 23 7.884 7.884 7.844 0.040 19259 349 1 2 . 1 1 24 24 GLY N N 24 113.237 113.237 112.207 1.030 19259 350 1 2 . 1 1 24 24 GLY C C 24 173.669 173.669 173.184 0.485 19259 351 1 2 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.264 0.884 19259 352 1 2 . 1 1 24 24 GLY H H 24 8.434 8.434 8.224 0.210 19259 353 1 2 . 1 1 25 25 ARG N N 25 120.269 120.269 120.811 -0.542 19259 354 1 2 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.793 -0.388 19259 355 1 2 . 1 1 25 25 ARG C C 25 175.948 175.948 175.679 0.269 19259 356 1 2 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.124 2.761 19259 357 1 2 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.260 0.460 19259 358 1 2 . 1 1 25 25 ARG H H 25 8.058 8.058 7.675 0.383 19259 359 1 2 . 1 1 26 26 VAL N N 26 124.651 124.651 127.889 -3.238 19259 360 1 2 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.630 0.112 19259 361 1 2 . 1 1 26 26 VAL C C 26 175.406 175.406 176.359 -0.953 19259 362 1 2 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.304 -1.138 19259 363 1 2 . 1 1 26 26 VAL CB C 26 33.116 33.116 31.728 1.388 19259 364 1 2 . 1 1 26 26 VAL H H 26 8.508 8.508 8.830 -0.322 19259 365 1 2 . 1 1 27 27 TYR N N 27 121.966 121.966 122.177 -0.211 19259 366 1 2 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.752 0.130 19259 367 1 2 . 1 1 27 27 TYR C C 27 170.726 170.726 173.169 -2.443 19259 368 1 2 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.675 -0.220 19259 369 1 2 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.924 -0.236 19259 370 1 2 . 1 1 27 27 TYR H H 27 8.664 8.664 8.876 -0.212 19259 371 1 2 . 1 1 28 28 TYR N N 28 116.945 116.945 116.592 0.353 19259 372 1 2 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.010 0.261 19259 373 1 2 . 1 1 28 28 TYR C C 28 174.230 174.230 174.466 -0.236 19259 374 1 2 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.934 1.272 19259 375 1 2 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.292 0.056 19259 376 1 2 . 1 1 28 28 TYR H H 28 9.005 9.005 8.887 0.118 19259 377 1 2 . 1 1 29 29 PHE N N 29 124.745 124.745 123.433 1.312 19259 378 1 2 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.143 0.466 19259 379 1 2 . 1 1 29 29 PHE C C 29 172.658 172.658 173.504 -0.846 19259 380 1 2 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.512 -0.500 19259 381 1 2 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.357 1.080 19259 382 1 2 . 1 1 29 29 PHE H H 29 9.452 9.452 9.149 0.303 19259 383 1 2 . 1 1 30 30 ASN N N 30 128.963 128.963 126.202 2.761 19259 384 1 2 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.581 -0.135 19259 385 1 2 . 1 1 30 30 ASN C C 30 174.664 174.664 175.623 -0.959 19259 386 1 2 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.623 -0.004 19259 387 1 2 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.972 0.201 19259 388 1 2 . 1 1 30 30 ASN H H 30 8.122 8.122 7.968 0.154 19259 389 1 2 . 1 1 31 31 HIS N N 31 121.463 121.463 125.577 -4.114 19259 390 1 2 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.743 -0.625 19259 391 1 2 . 1 1 31 31 HIS C C 31 176.235 176.235 176.400 -0.165 19259 392 1 2 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.714 0.145 19259 393 1 2 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.847 0.624 19259 394 1 2 . 1 1 31 31 HIS H H 31 8.207 8.207 8.937 -0.730 19259 395 1 2 . 1 1 32 32 ILE N N 32 121.544 121.544 120.323 1.221 19259 396 1 2 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.737 0.124 19259 397 1 2 . 1 1 32 32 ILE C C 32 178.224 178.224 177.385 0.839 19259 398 1 2 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.962 -0.551 19259 399 1 2 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.132 -0.934 19259 400 1 2 . 1 1 32 32 ILE H H 32 8.264 8.264 8.096 0.168 19259 401 1 2 . 1 1 33 33 THR N N 33 107.975 107.975 111.414 -3.439 19259 402 1 2 . 1 1 33 33 THR HA H 33 4.119 4.119 4.225 -0.106 19259 403 1 2 . 1 1 33 33 THR C C 33 176.113 176.113 174.873 1.240 19259 404 1 2 . 1 1 33 33 THR CA C 33 61.307 61.307 61.069 0.238 19259 405 1 2 . 1 1 33 33 THR CB C 33 70.083 70.083 69.435 0.648 19259 406 1 2 . 1 1 33 33 THR H H 33 7.434 7.434 7.320 0.114 19259 407 1 2 . 1 1 34 34 ASN N N 34 118.294 118.294 118.226 0.068 19259 408 1 2 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.240 -0.118 19259 409 1 2 . 1 1 34 34 ASN C C 34 173.358 173.358 173.563 -0.205 19259 410 1 2 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.140 0.908 19259 411 1 2 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.345 0.255 19259 412 1 2 . 1 1 34 34 ASN H H 34 8.094 8.094 7.894 0.200 19259 413 1 2 . 1 1 35 35 ALA N N 35 121.778 121.778 121.812 -0.034 19259 414 1 2 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.491 -0.038 19259 415 1 2 . 1 1 35 35 ALA C C 35 175.421 175.421 174.797 0.624 19259 416 1 2 . 1 1 35 35 ALA CA C 35 52.057 52.057 50.267 1.790 19259 417 1 2 . 1 1 35 35 ALA CB C 35 20.874 20.874 22.052 -1.178 19259 418 1 2 . 1 1 35 35 ALA H H 35 7.132 7.132 7.619 -0.487 19259 419 1 2 . 1 1 36 36 SER N N 36 112.243 112.243 113.026 -0.783 19259 420 1 2 . 1 1 36 36 SER HA H 36 6.027 6.027 5.152 0.875 19259 421 1 2 . 1 1 36 36 SER C C 36 174.068 174.068 172.893 1.175 19259 422 1 2 . 1 1 36 36 SER CA C 36 56.932 56.932 57.605 -0.673 19259 423 1 2 . 1 1 36 36 SER CB C 36 66.691 66.691 65.954 0.737 19259 424 1 2 . 1 1 36 36 SER H H 36 8.293 8.293 8.253 0.040 19259 425 1 2 . 1 1 37 37 GLN N N 37 116.909 116.909 120.527 -3.618 19259 426 1 2 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.490 0.372 19259 427 1 2 . 1 1 37 37 GLN C C 37 174.646 174.646 174.198 0.448 19259 428 1 2 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.593 -0.815 19259 429 1 2 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.715 -0.663 19259 430 1 2 . 1 1 37 37 GLN H H 37 9.371 9.371 9.173 0.198 19259 431 1 2 . 1 1 38 38 TRP N N 38 120.433 120.433 119.184 1.249 19259 432 1 2 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.629 0.356 19259 433 1 2 . 1 1 38 38 TRP C C 38 177.071 177.071 176.609 0.462 19259 434 1 2 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.464 1.354 19259 435 1 2 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.300 0.324 19259 436 1 2 . 1 1 38 38 TRP H H 38 8.547 8.547 8.747 -0.200 19259 437 1 2 . 1 1 39 39 GLU N N 39 117.074 117.074 120.778 -3.704 19259 438 1 2 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.471 -0.020 19259 439 1 2 . 1 1 39 39 GLU C C 39 175.702 175.702 176.491 -0.789 19259 440 1 2 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.427 -0.635 19259 441 1 2 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.339 -0.008 19259 442 1 2 . 1 1 39 39 GLU H H 39 8.065 8.065 8.143 -0.078 19259 443 1 2 . 1 1 40 40 ARG N N 40 125.177 125.177 122.875 2.302 19259 444 1 2 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.990 -1.326 19259 445 1 2 . 1 1 40 40 ARG C C 40 174.604 174.604 174.628 -0.024 19259 446 1 2 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.462 -1.247 19259 447 1 2 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.462 0.601 19259 448 1 2 . 1 1 40 40 ARG H H 40 8.549 8.549 8.688 -0.139 19259 449 1 2 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.132 -0.201 19259 450 1 2 . 1 1 41 41 PRO C C 41 175.431 175.431 175.257 0.174 19259 451 1 2 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.605 0.364 19259 452 1 2 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.251 0.111 19259 453 1 2 . 1 1 42 42 SER N N 42 115.527 115.527 113.475 2.052 19259 454 1 2 . 1 1 42 42 SER HA H 42 4.321 4.321 4.482 -0.161 19259 455 1 2 . 1 1 42 42 SER C C 42 173.826 173.826 175.020 -1.194 19259 456 1 2 . 1 1 42 42 SER CA C 42 57.886 57.886 57.894 -0.008 19259 457 1 2 . 1 1 42 42 SER CB C 42 64.524 64.524 64.398 0.126 19259 458 1 2 . 1 1 42 42 SER H H 42 8.201 8.201 8.020 0.181 19259 459 1 3 . 1 1 2 2 LEU HA H 2 4.363 4.363 5.386 -1.023 19259 460 1 3 . 1 1 2 2 LEU C C 2 177.746 177.746 175.266 2.480 19259 461 1 3 . 1 1 2 2 LEU CA C 2 55.603 55.603 53.868 1.735 19259 462 1 3 . 1 1 2 2 LEU CB C 2 42.291 42.291 44.590 -2.300 19259 463 1 3 . 1 1 3 3 GLU N N 3 121.500 121.500 119.644 1.856 19259 464 1 3 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.893 -0.647 19259 465 1 3 . 1 1 3 3 GLU C C 3 176.318 176.318 174.503 1.815 19259 466 1 3 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.928 1.214 19259 467 1 3 . 1 1 3 3 GLU CB C 3 29.710 29.710 32.684 -2.974 19259 468 1 3 . 1 1 3 3 GLU H H 3 8.898 8.898 9.177 -0.279 19259 469 1 3 . 1 1 4 4 HIS N N 4 120.262 120.262 121.219 -0.957 19259 470 1 3 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.904 -0.272 19259 471 1 3 . 1 1 4 4 HIS C C 4 175.449 175.449 173.851 1.598 19259 472 1 3 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.657 0.956 19259 473 1 3 . 1 1 4 4 HIS CB C 4 30.860 30.860 31.381 -0.521 19259 474 1 3 . 1 1 4 4 HIS H H 4 8.307 8.307 8.673 -0.366 19259 475 1 3 . 1 1 5 5 MET N N 5 122.219 122.219 121.517 0.702 19259 476 1 3 . 1 1 5 5 MET HA H 5 4.473 4.473 4.360 0.113 19259 477 1 3 . 1 1 5 5 MET C C 5 175.854 175.854 174.870 0.984 19259 478 1 3 . 1 1 5 5 MET CA C 5 55.366 55.366 55.212 0.154 19259 479 1 3 . 1 1 5 5 MET CB C 5 32.921 32.921 32.819 0.102 19259 480 1 3 . 1 1 5 5 MET H H 5 8.241 8.241 7.666 0.575 19259 481 1 3 . 1 1 6 6 ALA N N 6 125.321 125.321 123.811 1.510 19259 482 1 3 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.605 -0.287 19259 483 1 3 . 1 1 6 6 ALA C C 6 177.612 177.612 176.803 0.809 19259 484 1 3 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.803 0.892 19259 485 1 3 . 1 1 6 6 ALA CB C 6 19.305 19.305 19.700 -0.395 19259 486 1 3 . 1 1 6 6 ALA H H 6 8.388 8.388 8.382 0.006 19259 487 1 3 . 1 1 7 7 ASP N N 7 119.856 119.856 123.554 -3.698 19259 488 1 3 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.455 0.143 19259 489 1 3 . 1 1 7 7 ASP C C 7 176.539 176.539 177.234 -0.695 19259 490 1 3 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.592 -2.010 19259 491 1 3 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.261 -0.033 19259 492 1 3 . 1 1 7 7 ASP H H 7 8.389 8.389 8.835 -0.446 19259 493 1 3 . 1 1 8 8 GLU N N 8 121.214 121.214 118.944 2.270 19259 494 1 3 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.081 0.202 19259 495 1 3 . 1 1 8 8 GLU C C 8 176.568 176.568 177.340 -0.772 19259 496 1 3 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.516 -1.738 19259 497 1 3 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.648 1.727 19259 498 1 3 . 1 1 8 8 GLU H H 8 8.418 8.418 8.849 -0.431 19259 499 1 3 . 1 1 9 9 GLU N N 9 122.013 122.013 118.979 3.034 19259 500 1 3 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.282 -0.019 19259 501 1 3 . 1 1 9 9 GLU C C 9 176.229 176.229 176.032 0.197 19259 502 1 3 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.284 0.192 19259 503 1 3 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.815 0.583 19259 504 1 3 . 1 1 9 9 GLU H H 9 8.432 8.432 7.552 0.880 19259 505 1 3 . 1 1 10 10 LYS N N 10 123.906 123.906 121.442 2.464 19259 506 1 3 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.213 0.109 19259 507 1 3 . 1 1 10 10 LYS C C 10 176.291 176.291 176.600 -0.309 19259 508 1 3 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.251 1.144 19259 509 1 3 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.291 1.342 19259 510 1 3 . 1 1 10 10 LYS H H 10 8.355 8.355 7.471 0.884 19259 511 1 3 . 1 1 11 11 LEU N N 11 125.459 125.459 127.079 -1.620 19259 512 1 3 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.092 0.610 19259 513 1 3 . 1 1 11 11 LEU C C 11 174.150 174.150 175.847 -1.697 19259 514 1 3 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.323 -0.665 19259 515 1 3 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.503 1.947 19259 516 1 3 . 1 1 11 11 LEU H H 11 8.640 8.640 8.020 0.620 19259 517 1 3 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.658 0.226 19259 518 1 3 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.290 0.256 19259 519 1 3 . 1 1 12 12 PRO CB C 12 29.864 29.864 31.044 -1.180 19259 520 1 3 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.258 0.130 19259 521 1 3 . 1 1 13 13 PRO C C 13 177.111 177.111 177.357 -0.246 19259 522 1 3 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.221 0.174 19259 523 1 3 . 1 1 13 13 PRO CB C 13 32.017 32.017 30.790 1.227 19259 524 1 3 . 1 1 14 14 GLY N N 14 111.924 111.924 110.774 1.150 19259 525 1 3 . 1 1 14 14 GLY C C 14 172.870 172.870 173.362 -0.492 19259 526 1 3 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.494 0.509 19259 527 1 3 . 1 1 14 14 GLY H H 14 8.807 8.807 8.256 0.551 19259 528 1 3 . 1 1 15 15 TRP N N 15 117.136 117.136 120.975 -3.839 19259 529 1 3 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.177 0.149 19259 530 1 3 . 1 1 15 15 TRP C C 15 176.588 176.588 176.503 0.085 19259 531 1 3 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.154 0.037 19259 532 1 3 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.592 2.007 19259 533 1 3 . 1 1 15 15 TRP H H 15 7.409 7.409 7.991 -0.582 19259 534 1 3 . 1 1 16 16 GLU N N 16 120.872 120.872 122.032 -1.160 19259 535 1 3 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.813 0.062 19259 536 1 3 . 1 1 16 16 GLU C C 16 174.090 174.090 175.110 -1.020 19259 537 1 3 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.083 -0.282 19259 538 1 3 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.075 0.643 19259 539 1 3 . 1 1 16 16 GLU H H 16 9.858 9.858 9.221 0.637 19259 540 1 3 . 1 1 17 17 LYS N N 17 125.521 125.521 127.011 -1.490 19259 541 1 3 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.712 -0.259 19259 542 1 3 . 1 1 17 17 LYS C C 17 175.474 175.474 176.125 -0.651 19259 543 1 3 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.790 -0.549 19259 544 1 3 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.131 0.846 19259 545 1 3 . 1 1 17 17 LYS H H 17 8.980 8.980 8.802 0.178 19259 546 1 3 . 1 1 18 18 ARG N N 18 127.083 127.083 125.291 1.792 19259 547 1 3 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.642 -0.189 19259 548 1 3 . 1 1 18 18 ARG C C 18 173.135 173.135 173.666 -0.531 19259 549 1 3 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.611 1.002 19259 550 1 3 . 1 1 18 18 ARG CB C 18 34.628 34.628 34.043 0.585 19259 551 1 3 . 1 1 18 18 ARG H H 18 8.829 8.829 8.671 0.158 19259 552 1 3 . 1 1 19 19 MET N N 19 117.317 117.317 119.499 -2.182 19259 553 1 3 . 1 1 19 19 MET HA H 19 5.027 5.027 5.164 -0.137 19259 554 1 3 . 1 1 19 19 MET C C 19 176.132 176.132 174.797 1.335 19259 555 1 3 . 1 1 19 19 MET CA C 19 54.195 54.195 54.582 -0.387 19259 556 1 3 . 1 1 19 19 MET CB C 19 35.215 35.215 36.705 -1.490 19259 557 1 3 . 1 1 19 19 MET H H 19 8.131 8.131 8.370 -0.239 19259 558 1 3 . 1 1 20 20 GLU N N 20 129.506 129.506 125.077 4.429 19259 559 1 3 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.396 0.193 19259 560 1 3 . 1 1 20 20 GLU C C 20 176.857 176.857 177.090 -0.233 19259 561 1 3 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.796 -0.207 19259 562 1 3 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.400 -0.241 19259 563 1 3 . 1 1 20 20 GLU H H 20 9.531 9.531 9.019 0.512 19259 564 1 3 . 1 1 21 21 ARG N N 21 129.016 129.016 127.319 1.697 19259 565 1 3 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.162 -0.169 19259 566 1 3 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.236 1.372 19259 567 1 3 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.086 0.006 19259 568 1 3 . 1 1 21 21 ARG H H 21 8.991 8.991 8.964 0.027 19259 569 1 3 . 1 1 22 22 SER HA H 22 4.244 4.244 4.301 -0.057 19259 570 1 3 . 1 1 22 22 SER CA C 22 61.081 61.081 60.422 0.659 19259 571 1 3 . 1 1 22 22 SER CB C 22 62.480 62.480 63.322 -0.841 19259 572 1 3 . 1 1 23 23 SER N N 23 114.105 114.105 113.617 0.488 19259 573 1 3 . 1 1 23 23 SER HA H 23 4.628 4.628 4.630 -0.002 19259 574 1 3 . 1 1 23 23 SER C C 23 176.288 176.288 174.354 1.934 19259 575 1 3 . 1 1 23 23 SER CA C 23 58.442 58.442 58.597 -0.155 19259 576 1 3 . 1 1 23 23 SER CB C 23 65.782 65.782 65.624 0.158 19259 577 1 3 . 1 1 23 23 SER H H 23 7.884 7.884 8.076 -0.192 19259 578 1 3 . 1 1 24 24 GLY N N 24 113.237 113.237 112.036 1.201 19259 579 1 3 . 1 1 24 24 GLY C C 24 173.669 173.669 173.096 0.573 19259 580 1 3 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.294 0.854 19259 581 1 3 . 1 1 24 24 GLY H H 24 8.434 8.434 8.247 0.187 19259 582 1 3 . 1 1 25 25 ARG N N 25 120.269 120.269 120.526 -0.257 19259 583 1 3 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.820 -0.415 19259 584 1 3 . 1 1 25 25 ARG C C 25 175.948 175.948 175.076 0.872 19259 585 1 3 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.616 2.269 19259 586 1 3 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.643 -0.923 19259 587 1 3 . 1 1 25 25 ARG H H 25 8.058 8.058 7.643 0.415 19259 588 1 3 . 1 1 26 26 VAL N N 26 124.651 124.651 126.821 -2.170 19259 589 1 3 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.750 -0.008 19259 590 1 3 . 1 1 26 26 VAL C C 26 175.406 175.406 176.126 -0.720 19259 591 1 3 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.159 -0.993 19259 592 1 3 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.157 0.959 19259 593 1 3 . 1 1 26 26 VAL H H 26 8.508 8.508 8.715 -0.207 19259 594 1 3 . 1 1 27 27 TYR N N 27 121.966 121.966 121.724 0.242 19259 595 1 3 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.505 0.377 19259 596 1 3 . 1 1 27 27 TYR C C 27 170.726 170.726 172.829 -2.103 19259 597 1 3 . 1 1 27 27 TYR CA C 27 55.455 55.455 56.083 -0.628 19259 598 1 3 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.165 0.523 19259 599 1 3 . 1 1 27 27 TYR H H 27 8.664 8.664 8.676 -0.012 19259 600 1 3 . 1 1 28 28 TYR N N 28 116.945 116.945 116.692 0.253 19259 601 1 3 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.263 0.008 19259 602 1 3 . 1 1 28 28 TYR C C 28 174.230 174.230 174.693 -0.463 19259 603 1 3 . 1 1 28 28 TYR CA C 28 57.206 57.206 56.071 1.135 19259 604 1 3 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.394 -0.046 19259 605 1 3 . 1 1 28 28 TYR H H 28 9.005 9.005 8.949 0.056 19259 606 1 3 . 1 1 29 29 PHE N N 29 124.745 124.745 122.862 1.883 19259 607 1 3 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.147 0.462 19259 608 1 3 . 1 1 29 29 PHE C C 29 172.658 172.658 173.546 -0.888 19259 609 1 3 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.577 -0.565 19259 610 1 3 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.515 0.922 19259 611 1 3 . 1 1 29 29 PHE H H 29 9.452 9.452 9.568 -0.116 19259 612 1 3 . 1 1 30 30 ASN N N 30 128.963 128.963 126.406 2.557 19259 613 1 3 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.538 -0.092 19259 614 1 3 . 1 1 30 30 ASN C C 30 174.664 174.664 175.653 -0.989 19259 615 1 3 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.698 -0.079 19259 616 1 3 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.425 0.748 19259 617 1 3 . 1 1 30 30 ASN H H 30 8.122 8.122 8.177 -0.055 19259 618 1 3 . 1 1 31 31 HIS N N 31 121.463 121.463 123.957 -2.494 19259 619 1 3 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.684 -0.566 19259 620 1 3 . 1 1 31 31 HIS C C 31 176.235 176.235 176.295 -0.060 19259 621 1 3 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.917 -0.058 19259 622 1 3 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.766 0.705 19259 623 1 3 . 1 1 31 31 HIS H H 31 8.207 8.207 8.900 -0.693 19259 624 1 3 . 1 1 32 32 ILE N N 32 121.544 121.544 119.694 1.850 19259 625 1 3 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.808 0.053 19259 626 1 3 . 1 1 32 32 ILE C C 32 178.224 178.224 177.148 1.076 19259 627 1 3 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.755 -0.344 19259 628 1 3 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.386 -1.188 19259 629 1 3 . 1 1 32 32 ILE H H 32 8.264 8.264 7.990 0.274 19259 630 1 3 . 1 1 33 33 THR N N 33 107.975 107.975 112.158 -4.183 19259 631 1 3 . 1 1 33 33 THR HA H 33 4.119 4.119 4.296 -0.177 19259 632 1 3 . 1 1 33 33 THR C C 33 176.113 176.113 174.526 1.587 19259 633 1 3 . 1 1 33 33 THR CA C 33 61.307 61.307 61.231 0.076 19259 634 1 3 . 1 1 33 33 THR CB C 33 70.083 70.083 69.651 0.432 19259 635 1 3 . 1 1 33 33 THR H H 33 7.434 7.434 7.536 -0.102 19259 636 1 3 . 1 1 34 34 ASN N N 34 118.294 118.294 116.311 1.983 19259 637 1 3 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.176 -0.054 19259 638 1 3 . 1 1 34 34 ASN C C 34 173.358 173.358 173.827 -0.469 19259 639 1 3 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.043 1.005 19259 640 1 3 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.342 0.258 19259 641 1 3 . 1 1 34 34 ASN H H 34 8.094 8.094 8.075 0.019 19259 642 1 3 . 1 1 35 35 ALA N N 35 121.778 121.778 121.440 0.338 19259 643 1 3 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.414 0.039 19259 644 1 3 . 1 1 35 35 ALA C C 35 175.421 175.421 175.430 -0.009 19259 645 1 3 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.539 0.518 19259 646 1 3 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.478 0.396 19259 647 1 3 . 1 1 35 35 ALA H H 35 7.132 7.132 7.198 -0.066 19259 648 1 3 . 1 1 36 36 SER N N 36 112.243 112.243 111.679 0.564 19259 649 1 3 . 1 1 36 36 SER HA H 36 6.027 6.027 5.107 0.920 19259 650 1 3 . 1 1 36 36 SER C C 36 174.068 174.068 173.557 0.511 19259 651 1 3 . 1 1 36 36 SER CA C 36 56.932 56.932 57.725 -0.793 19259 652 1 3 . 1 1 36 36 SER CB C 36 66.691 66.691 65.728 0.963 19259 653 1 3 . 1 1 36 36 SER H H 36 8.293 8.293 8.178 0.116 19259 654 1 3 . 1 1 37 37 GLN N N 37 116.909 116.909 119.923 -3.014 19259 655 1 3 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.681 0.181 19259 656 1 3 . 1 1 37 37 GLN C C 37 174.646 174.646 174.247 0.399 19259 657 1 3 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.867 -1.089 19259 658 1 3 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.439 -0.387 19259 659 1 3 . 1 1 37 37 GLN H H 37 9.371 9.371 9.261 0.110 19259 660 1 3 . 1 1 38 38 TRP N N 38 120.433 120.433 120.198 0.235 19259 661 1 3 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.853 0.132 19259 662 1 3 . 1 1 38 38 TRP C C 38 177.071 177.071 176.435 0.636 19259 663 1 3 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.848 0.970 19259 664 1 3 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.320 0.304 19259 665 1 3 . 1 1 38 38 TRP H H 38 8.547 8.547 8.960 -0.413 19259 666 1 3 . 1 1 39 39 GLU N N 39 117.074 117.074 120.143 -3.069 19259 667 1 3 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.528 -0.077 19259 668 1 3 . 1 1 39 39 GLU C C 39 175.702 175.702 176.449 -0.747 19259 669 1 3 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.168 -0.376 19259 670 1 3 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.144 0.187 19259 671 1 3 . 1 1 39 39 GLU H H 39 8.065 8.065 8.119 -0.054 19259 672 1 3 . 1 1 40 40 ARG N N 40 125.177 125.177 123.027 2.150 19259 673 1 3 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.904 -1.240 19259 674 1 3 . 1 1 40 40 ARG C C 40 174.604 174.604 174.786 -0.182 19259 675 1 3 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.295 -1.080 19259 676 1 3 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.594 0.469 19259 677 1 3 . 1 1 40 40 ARG H H 40 8.549 8.549 8.523 0.026 19259 678 1 3 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.105 -0.174 19259 679 1 3 . 1 1 41 41 PRO C C 41 175.431 175.431 175.575 -0.144 19259 680 1 3 . 1 1 41 41 PRO CA C 41 61.969 61.969 62.026 -0.056 19259 681 1 3 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.523 -0.161 19259 682 1 3 . 1 1 42 42 SER N N 42 115.527 115.527 113.615 1.912 19259 683 1 3 . 1 1 42 42 SER HA H 42 4.321 4.321 4.464 -0.143 19259 684 1 3 . 1 1 42 42 SER C C 42 173.826 173.826 174.650 -0.824 19259 685 1 3 . 1 1 42 42 SER CA C 42 57.886 57.886 57.653 0.233 19259 686 1 3 . 1 1 42 42 SER CB C 42 64.524 64.524 64.047 0.477 19259 687 1 3 . 1 1 42 42 SER H H 42 8.201 8.201 8.229 -0.028 19259 688 1 4 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.131 0.232 19259 689 1 4 . 1 1 2 2 LEU C C 2 177.746 177.746 176.897 0.849 19259 690 1 4 . 1 1 2 2 LEU CA C 2 55.603 55.603 56.534 -0.931 19259 691 1 4 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.358 -0.067 19259 692 1 4 . 1 1 3 3 GLU N N 3 121.500 121.500 117.732 3.768 19259 693 1 4 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.264 -0.018 19259 694 1 4 . 1 1 3 3 GLU C C 3 176.318 176.318 175.186 1.132 19259 695 1 4 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.567 1.575 19259 696 1 4 . 1 1 3 3 GLU CB C 3 29.710 29.710 28.965 0.745 19259 697 1 4 . 1 1 3 3 GLU H H 3 8.898 8.898 8.049 0.849 19259 698 1 4 . 1 1 4 4 HIS N N 4 120.262 120.262 115.315 4.947 19259 699 1 4 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.199 0.433 19259 700 1 4 . 1 1 4 4 HIS C C 4 175.449 175.449 174.479 0.970 19259 701 1 4 . 1 1 4 4 HIS CA C 4 56.614 56.614 57.517 -0.903 19259 702 1 4 . 1 1 4 4 HIS CB C 4 30.860 30.860 28.059 2.801 19259 703 1 4 . 1 1 4 4 HIS H H 4 8.307 8.307 8.346 -0.039 19259 704 1 4 . 1 1 5 5 MET N N 5 122.219 122.219 118.926 3.293 19259 705 1 4 . 1 1 5 5 MET HA H 5 4.473 4.473 4.378 0.095 19259 706 1 4 . 1 1 5 5 MET C C 5 175.854 175.854 175.675 0.179 19259 707 1 4 . 1 1 5 5 MET CA C 5 55.366 55.366 55.812 -0.446 19259 708 1 4 . 1 1 5 5 MET CB C 5 32.921 32.921 32.568 0.353 19259 709 1 4 . 1 1 5 5 MET H H 5 8.241 8.241 7.745 0.496 19259 710 1 4 . 1 1 6 6 ALA N N 6 125.321 125.321 128.896 -3.575 19259 711 1 4 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.515 -0.197 19259 712 1 4 . 1 1 6 6 ALA C C 6 177.612 177.612 177.508 0.104 19259 713 1 4 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.236 1.459 19259 714 1 4 . 1 1 6 6 ALA CB C 6 19.305 19.305 19.343 -0.038 19259 715 1 4 . 1 1 6 6 ALA H H 6 8.388 8.388 8.233 0.155 19259 716 1 4 . 1 1 7 7 ASP N N 7 119.856 119.856 125.323 -5.467 19259 717 1 4 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.378 0.220 19259 718 1 4 . 1 1 7 7 ASP C C 7 176.539 176.539 177.263 -0.724 19259 719 1 4 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.650 -2.068 19259 720 1 4 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.233 -0.005 19259 721 1 4 . 1 1 7 7 ASP H H 7 8.389 8.389 8.956 -0.567 19259 722 1 4 . 1 1 8 8 GLU N N 8 121.214 121.214 119.620 1.594 19259 723 1 4 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.038 0.245 19259 724 1 4 . 1 1 8 8 GLU C C 8 176.568 176.568 177.600 -1.032 19259 725 1 4 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.584 -1.806 19259 726 1 4 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.416 0.959 19259 727 1 4 . 1 1 8 8 GLU H H 8 8.418 8.418 8.752 -0.334 19259 728 1 4 . 1 1 9 9 GLU N N 9 122.013 122.013 116.312 5.701 19259 729 1 4 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.214 0.049 19259 730 1 4 . 1 1 9 9 GLU C C 9 176.229 176.229 176.382 -0.153 19259 731 1 4 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.291 -0.815 19259 732 1 4 . 1 1 9 9 GLU CB C 9 30.398 30.398 30.103 0.295 19259 733 1 4 . 1 1 9 9 GLU H H 9 8.432 8.432 7.536 0.896 19259 734 1 4 . 1 1 10 10 LYS N N 10 123.906 123.906 120.875 3.031 19259 735 1 4 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.281 0.041 19259 736 1 4 . 1 1 10 10 LYS C C 10 176.291 176.291 176.428 -0.137 19259 737 1 4 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.938 1.457 19259 738 1 4 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.794 0.839 19259 739 1 4 . 1 1 10 10 LYS H H 10 8.355 8.355 7.737 0.618 19259 740 1 4 . 1 1 11 11 LEU N N 11 125.459 125.459 126.952 -1.493 19259 741 1 4 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.108 0.594 19259 742 1 4 . 1 1 11 11 LEU C C 11 174.150 174.150 176.009 -1.859 19259 743 1 4 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.434 -0.776 19259 744 1 4 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.390 2.060 19259 745 1 4 . 1 1 11 11 LEU H H 11 8.640 8.640 8.264 0.376 19259 746 1 4 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.658 0.226 19259 747 1 4 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.340 0.206 19259 748 1 4 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.904 -1.040 19259 749 1 4 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.296 0.092 19259 750 1 4 . 1 1 13 13 PRO C C 13 177.111 177.111 177.367 -0.256 19259 751 1 4 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.120 0.275 19259 752 1 4 . 1 1 13 13 PRO CB C 13 32.017 32.017 30.998 1.019 19259 753 1 4 . 1 1 14 14 GLY N N 14 111.924 111.924 111.149 0.775 19259 754 1 4 . 1 1 14 14 GLY C C 14 172.870 172.870 173.502 -0.632 19259 755 1 4 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.573 0.430 19259 756 1 4 . 1 1 14 14 GLY H H 14 8.807 8.807 8.320 0.487 19259 757 1 4 . 1 1 15 15 TRP N N 15 117.136 117.136 121.083 -3.947 19259 758 1 4 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.203 0.123 19259 759 1 4 . 1 1 15 15 TRP C C 15 176.588 176.588 176.475 0.113 19259 760 1 4 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.180 0.011 19259 761 1 4 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.563 2.036 19259 762 1 4 . 1 1 15 15 TRP H H 15 7.409 7.409 7.776 -0.367 19259 763 1 4 . 1 1 16 16 GLU N N 16 120.872 120.872 121.873 -1.001 19259 764 1 4 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.791 0.084 19259 765 1 4 . 1 1 16 16 GLU C C 16 174.090 174.090 175.098 -1.008 19259 766 1 4 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.983 -0.182 19259 767 1 4 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.151 0.567 19259 768 1 4 . 1 1 16 16 GLU H H 16 9.858 9.858 9.232 0.626 19259 769 1 4 . 1 1 17 17 LYS N N 17 125.521 125.521 126.762 -1.241 19259 770 1 4 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.712 -0.259 19259 771 1 4 . 1 1 17 17 LYS C C 17 175.474 175.474 176.139 -0.665 19259 772 1 4 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.795 -0.554 19259 773 1 4 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.117 0.860 19259 774 1 4 . 1 1 17 17 LYS H H 17 8.980 8.980 8.771 0.209 19259 775 1 4 . 1 1 18 18 ARG N N 18 127.083 127.083 125.266 1.817 19259 776 1 4 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.656 -0.203 19259 777 1 4 . 1 1 18 18 ARG C C 18 173.135 173.135 173.782 -0.647 19259 778 1 4 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.506 1.106 19259 779 1 4 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.915 0.713 19259 780 1 4 . 1 1 18 18 ARG H H 18 8.829 8.829 8.686 0.143 19259 781 1 4 . 1 1 19 19 MET N N 19 117.317 117.317 120.023 -2.706 19259 782 1 4 . 1 1 19 19 MET HA H 19 5.027 5.027 5.293 -0.266 19259 783 1 4 . 1 1 19 19 MET C C 19 176.132 176.132 175.062 1.070 19259 784 1 4 . 1 1 19 19 MET CA C 19 54.195 54.195 54.486 -0.291 19259 785 1 4 . 1 1 19 19 MET CB C 19 35.215 35.215 36.528 -1.313 19259 786 1 4 . 1 1 19 19 MET H H 19 8.131 8.131 8.478 -0.347 19259 787 1 4 . 1 1 20 20 GLU N N 20 129.506 129.506 125.555 3.951 19259 788 1 4 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.354 0.235 19259 789 1 4 . 1 1 20 20 GLU C C 20 176.857 176.857 176.578 0.279 19259 790 1 4 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.639 -0.050 19259 791 1 4 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.233 -0.074 19259 792 1 4 . 1 1 20 20 GLU H H 20 9.531 9.531 9.146 0.385 19259 793 1 4 . 1 1 21 21 ARG N N 21 129.016 129.016 127.244 1.772 19259 794 1 4 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.136 -0.143 19259 795 1 4 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.661 0.947 19259 796 1 4 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.075 0.017 19259 797 1 4 . 1 1 21 21 ARG H H 21 8.991 8.991 8.755 0.236 19259 798 1 4 . 1 1 22 22 SER HA H 22 4.244 4.244 4.307 -0.063 19259 799 1 4 . 1 1 22 22 SER CA C 22 61.081 61.081 60.448 0.633 19259 800 1 4 . 1 1 22 22 SER CB C 22 62.480 62.480 63.407 -0.928 19259 801 1 4 . 1 1 23 23 SER N N 23 114.105 114.105 112.997 1.108 19259 802 1 4 . 1 1 23 23 SER HA H 23 4.628 4.628 4.595 0.033 19259 803 1 4 . 1 1 23 23 SER C C 23 176.288 176.288 173.526 2.762 19259 804 1 4 . 1 1 23 23 SER CA C 23 58.442 58.442 58.416 0.026 19259 805 1 4 . 1 1 23 23 SER CB C 23 65.782 65.782 65.673 0.109 19259 806 1 4 . 1 1 23 23 SER H H 23 7.884 7.884 7.646 0.238 19259 807 1 4 . 1 1 24 24 GLY N N 24 113.237 113.237 111.291 1.946 19259 808 1 4 . 1 1 24 24 GLY C C 24 173.669 173.669 172.883 0.786 19259 809 1 4 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.137 1.011 19259 810 1 4 . 1 1 24 24 GLY H H 24 8.434 8.434 8.190 0.244 19259 811 1 4 . 1 1 25 25 ARG N N 25 120.269 120.269 121.498 -1.229 19259 812 1 4 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.764 -0.359 19259 813 1 4 . 1 1 25 25 ARG C C 25 175.948 175.948 175.035 0.913 19259 814 1 4 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.063 2.821 19259 815 1 4 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.175 -0.455 19259 816 1 4 . 1 1 25 25 ARG H H 25 8.058 8.058 7.888 0.170 19259 817 1 4 . 1 1 26 26 VAL N N 26 124.651 124.651 125.493 -0.842 19259 818 1 4 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.903 -0.161 19259 819 1 4 . 1 1 26 26 VAL C C 26 175.406 175.406 175.860 -0.454 19259 820 1 4 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.014 0.152 19259 821 1 4 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.110 1.006 19259 822 1 4 . 1 1 26 26 VAL H H 26 8.508 8.508 8.549 -0.041 19259 823 1 4 . 1 1 27 27 TYR N N 27 121.966 121.966 121.129 0.837 19259 824 1 4 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.404 0.478 19259 825 1 4 . 1 1 27 27 TYR C C 27 170.726 170.726 172.058 -1.332 19259 826 1 4 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.731 -0.276 19259 827 1 4 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.598 1.090 19259 828 1 4 . 1 1 27 27 TYR H H 27 8.664 8.664 8.788 -0.124 19259 829 1 4 . 1 1 28 28 TYR N N 28 116.945 116.945 116.546 0.399 19259 830 1 4 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.178 0.093 19259 831 1 4 . 1 1 28 28 TYR C C 28 174.230 174.230 174.523 -0.293 19259 832 1 4 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.907 1.299 19259 833 1 4 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.368 -0.020 19259 834 1 4 . 1 1 28 28 TYR H H 28 9.005 9.005 8.879 0.126 19259 835 1 4 . 1 1 29 29 PHE N N 29 124.745 124.745 122.653 2.092 19259 836 1 4 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.191 0.418 19259 837 1 4 . 1 1 29 29 PHE C C 29 172.658 172.658 173.427 -0.769 19259 838 1 4 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.336 -0.324 19259 839 1 4 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.462 0.975 19259 840 1 4 . 1 1 29 29 PHE H H 29 9.452 9.452 9.476 -0.024 19259 841 1 4 . 1 1 30 30 ASN N N 30 128.963 128.963 126.189 2.774 19259 842 1 4 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.625 -0.179 19259 843 1 4 . 1 1 30 30 ASN C C 30 174.664 174.664 175.666 -1.002 19259 844 1 4 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.739 -0.120 19259 845 1 4 . 1 1 30 30 ASN CB C 30 38.173 38.173 38.007 0.166 19259 846 1 4 . 1 1 30 30 ASN H H 30 8.122 8.122 7.954 0.168 19259 847 1 4 . 1 1 31 31 HIS N N 31 121.463 121.463 124.648 -3.185 19259 848 1 4 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.711 -0.593 19259 849 1 4 . 1 1 31 31 HIS C C 31 176.235 176.235 176.347 -0.112 19259 850 1 4 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.847 0.012 19259 851 1 4 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.763 0.708 19259 852 1 4 . 1 1 31 31 HIS H H 31 8.207 8.207 8.916 -0.709 19259 853 1 4 . 1 1 32 32 ILE N N 32 121.544 121.544 119.892 1.652 19259 854 1 4 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.796 0.065 19259 855 1 4 . 1 1 32 32 ILE C C 32 178.224 178.224 177.203 1.021 19259 856 1 4 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.829 -0.418 19259 857 1 4 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.322 -1.124 19259 858 1 4 . 1 1 32 32 ILE H H 32 8.264 8.264 8.305 -0.041 19259 859 1 4 . 1 1 33 33 THR N N 33 107.975 107.975 111.064 -3.089 19259 860 1 4 . 1 1 33 33 THR HA H 33 4.119 4.119 4.339 -0.220 19259 861 1 4 . 1 1 33 33 THR C C 33 176.113 176.113 173.849 2.264 19259 862 1 4 . 1 1 33 33 THR CA C 33 61.307 61.307 60.937 0.370 19259 863 1 4 . 1 1 33 33 THR CB C 33 70.083 70.083 69.609 0.474 19259 864 1 4 . 1 1 33 33 THR H H 33 7.434 7.434 7.415 0.019 19259 865 1 4 . 1 1 34 34 ASN N N 34 118.294 118.294 117.814 0.480 19259 866 1 4 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.018 0.104 19259 867 1 4 . 1 1 34 34 ASN C C 34 173.358 173.358 174.287 -0.929 19259 868 1 4 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.887 1.161 19259 869 1 4 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.817 -0.217 19259 870 1 4 . 1 1 34 34 ASN H H 34 8.094 8.094 7.945 0.149 19259 871 1 4 . 1 1 35 35 ALA N N 35 121.778 121.778 120.546 1.232 19259 872 1 4 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.141 0.312 19259 873 1 4 . 1 1 35 35 ALA C C 35 175.421 175.421 175.755 -0.334 19259 874 1 4 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.710 0.347 19259 875 1 4 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.498 0.376 19259 876 1 4 . 1 1 35 35 ALA H H 35 7.132 7.132 7.248 -0.116 19259 877 1 4 . 1 1 36 36 SER N N 36 112.243 112.243 113.608 -1.365 19259 878 1 4 . 1 1 36 36 SER HA H 36 6.027 6.027 5.155 0.872 19259 879 1 4 . 1 1 36 36 SER C C 36 174.068 174.068 173.587 0.481 19259 880 1 4 . 1 1 36 36 SER CA C 36 56.932 56.932 58.061 -1.129 19259 881 1 4 . 1 1 36 36 SER CB C 36 66.691 66.691 64.832 1.859 19259 882 1 4 . 1 1 36 36 SER H H 36 8.293 8.293 8.275 0.018 19259 883 1 4 . 1 1 37 37 GLN N N 37 116.909 116.909 123.334 -6.425 19259 884 1 4 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.664 0.198 19259 885 1 4 . 1 1 37 37 GLN C C 37 174.646 174.646 174.374 0.272 19259 886 1 4 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.449 -0.671 19259 887 1 4 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.642 -0.590 19259 888 1 4 . 1 1 37 37 GLN H H 37 9.371 9.371 9.094 0.277 19259 889 1 4 . 1 1 38 38 TRP N N 38 120.433 120.433 118.554 1.879 19259 890 1 4 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.669 0.316 19259 891 1 4 . 1 1 38 38 TRP C C 38 177.071 177.071 176.895 0.176 19259 892 1 4 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.387 1.431 19259 893 1 4 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.077 0.547 19259 894 1 4 . 1 1 38 38 TRP H H 38 8.547 8.547 9.017 -0.470 19259 895 1 4 . 1 1 39 39 GLU N N 39 117.074 117.074 120.760 -3.686 19259 896 1 4 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.451 0.000 19259 897 1 4 . 1 1 39 39 GLU C C 39 175.702 175.702 176.106 -0.404 19259 898 1 4 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.049 -0.257 19259 899 1 4 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.264 0.067 19259 900 1 4 . 1 1 39 39 GLU H H 39 8.065 8.065 8.085 -0.020 19259 901 1 4 . 1 1 40 40 ARG N N 40 125.177 125.177 123.045 2.132 19259 902 1 4 . 1 1 40 40 ARG HA H 40 2.664 2.664 4.001 -1.337 19259 903 1 4 . 1 1 40 40 ARG C C 40 174.604 174.604 174.566 0.038 19259 904 1 4 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.018 -0.803 19259 905 1 4 . 1 1 40 40 ARG CB C 40 30.063 30.063 28.892 1.171 19259 906 1 4 . 1 1 40 40 ARG H H 40 8.549 8.549 8.698 -0.149 19259 907 1 4 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.189 -0.258 19259 908 1 4 . 1 1 41 41 PRO C C 41 175.431 175.431 176.167 -0.736 19259 909 1 4 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.886 0.083 19259 910 1 4 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.327 0.035 19259 911 1 4 . 1 1 42 42 SER N N 42 115.527 115.527 113.212 2.315 19259 912 1 4 . 1 1 42 42 SER HA H 42 4.321 4.321 4.518 -0.197 19259 913 1 4 . 1 1 42 42 SER C C 42 173.826 173.826 173.962 -0.136 19259 914 1 4 . 1 1 42 42 SER CA C 42 57.886 57.886 57.919 -0.033 19259 915 1 4 . 1 1 42 42 SER CB C 42 64.524 64.524 65.663 -1.139 19259 916 1 4 . 1 1 42 42 SER H H 42 8.201 8.201 8.161 0.040 19259 917 1 5 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.935 -0.572 19259 918 1 5 . 1 1 2 2 LEU C C 2 177.746 177.746 175.789 1.957 19259 919 1 5 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.441 1.161 19259 920 1 5 . 1 1 2 2 LEU CB C 2 42.291 42.291 43.991 -1.700 19259 921 1 5 . 1 1 3 3 GLU N N 3 121.500 121.500 117.768 3.732 19259 922 1 5 . 1 1 3 3 GLU HA H 3 4.246 4.246 3.990 0.256 19259 923 1 5 . 1 1 3 3 GLU C C 3 176.318 176.318 176.226 0.092 19259 924 1 5 . 1 1 3 3 GLU CA C 3 57.142 57.142 57.274 -0.132 19259 925 1 5 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.464 0.246 19259 926 1 5 . 1 1 3 3 GLU H H 3 8.898 8.898 8.600 0.298 19259 927 1 5 . 1 1 4 4 HIS N N 4 120.262 120.262 115.000 5.262 19259 928 1 5 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.412 0.220 19259 929 1 5 . 1 1 4 4 HIS C C 4 175.449 175.449 175.155 0.294 19259 930 1 5 . 1 1 4 4 HIS CA C 4 56.614 56.614 56.347 0.267 19259 931 1 5 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.831 1.029 19259 932 1 5 . 1 1 4 4 HIS H H 4 8.307 8.307 7.945 0.362 19259 933 1 5 . 1 1 5 5 MET N N 5 122.219 122.219 120.996 1.223 19259 934 1 5 . 1 1 5 5 MET HA H 5 4.473 4.473 4.397 0.076 19259 935 1 5 . 1 1 5 5 MET C C 5 175.854 175.854 175.219 0.635 19259 936 1 5 . 1 1 5 5 MET CA C 5 55.366 55.366 54.936 0.430 19259 937 1 5 . 1 1 5 5 MET CB C 5 32.921 32.921 30.741 2.179 19259 938 1 5 . 1 1 5 5 MET H H 5 8.241 8.241 7.561 0.680 19259 939 1 5 . 1 1 6 6 ALA N N 6 125.321 125.321 129.496 -4.175 19259 940 1 5 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.704 -0.386 19259 941 1 5 . 1 1 6 6 ALA C C 6 177.612 177.612 177.166 0.446 19259 942 1 5 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.577 1.118 19259 943 1 5 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.784 -2.479 19259 944 1 5 . 1 1 6 6 ALA H H 6 8.388 8.388 7.998 0.390 19259 945 1 5 . 1 1 7 7 ASP N N 7 119.856 119.856 120.029 -0.173 19259 946 1 5 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.381 0.217 19259 947 1 5 . 1 1 7 7 ASP C C 7 176.539 176.539 178.228 -1.689 19259 948 1 5 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.795 -2.213 19259 949 1 5 . 1 1 7 7 ASP CB C 7 41.228 41.228 40.679 0.549 19259 950 1 5 . 1 1 7 7 ASP H H 7 8.389 8.389 8.733 -0.344 19259 951 1 5 . 1 1 8 8 GLU N N 8 121.214 121.214 119.783 1.431 19259 952 1 5 . 1 1 8 8 GLU HA H 8 4.283 4.283 3.974 0.309 19259 953 1 5 . 1 1 8 8 GLU C C 8 176.568 176.568 177.777 -1.209 19259 954 1 5 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.895 -2.117 19259 955 1 5 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.431 0.944 19259 956 1 5 . 1 1 8 8 GLU H H 8 8.418 8.418 8.453 -0.035 19259 957 1 5 . 1 1 9 9 GLU N N 9 122.013 122.013 117.590 4.423 19259 958 1 5 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.152 0.111 19259 959 1 5 . 1 1 9 9 GLU C C 9 176.229 176.229 176.866 -0.637 19259 960 1 5 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.712 -1.236 19259 961 1 5 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.825 0.573 19259 962 1 5 . 1 1 9 9 GLU H H 9 8.432 8.432 7.567 0.865 19259 963 1 5 . 1 1 10 10 LYS N N 10 123.906 123.906 119.992 3.914 19259 964 1 5 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.283 0.039 19259 965 1 5 . 1 1 10 10 LYS C C 10 176.291 176.291 176.377 -0.086 19259 966 1 5 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.423 0.972 19259 967 1 5 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.012 0.621 19259 968 1 5 . 1 1 10 10 LYS H H 10 8.355 8.355 7.527 0.828 19259 969 1 5 . 1 1 11 11 LEU N N 11 125.459 125.459 126.785 -1.326 19259 970 1 5 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.086 0.616 19259 971 1 5 . 1 1 11 11 LEU C C 11 174.150 174.150 175.988 -1.838 19259 972 1 5 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.368 -0.710 19259 973 1 5 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.824 1.626 19259 974 1 5 . 1 1 11 11 LEU H H 11 8.640 8.640 8.387 0.253 19259 975 1 5 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.638 0.246 19259 976 1 5 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.292 0.254 19259 977 1 5 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.941 -1.077 19259 978 1 5 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.320 0.068 19259 979 1 5 . 1 1 13 13 PRO C C 13 177.111 177.111 177.526 -0.415 19259 980 1 5 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.105 0.290 19259 981 1 5 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.206 0.811 19259 982 1 5 . 1 1 14 14 GLY N N 14 111.924 111.924 111.289 0.635 19259 983 1 5 . 1 1 14 14 GLY C C 14 172.870 172.870 173.628 -0.758 19259 984 1 5 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.618 0.385 19259 985 1 5 . 1 1 14 14 GLY H H 14 8.807 8.807 8.376 0.431 19259 986 1 5 . 1 1 15 15 TRP N N 15 117.136 117.136 120.992 -3.856 19259 987 1 5 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.141 0.185 19259 988 1 5 . 1 1 15 15 TRP C C 15 176.588 176.588 175.874 0.714 19259 989 1 5 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.319 -0.128 19259 990 1 5 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.908 1.691 19259 991 1 5 . 1 1 15 15 TRP H H 15 7.409 7.409 8.020 -0.611 19259 992 1 5 . 1 1 16 16 GLU N N 16 120.872 120.872 119.068 1.804 19259 993 1 5 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.771 0.104 19259 994 1 5 . 1 1 16 16 GLU C C 16 174.090 174.090 174.943 -0.853 19259 995 1 5 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.220 -0.419 19259 996 1 5 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.051 0.667 19259 997 1 5 . 1 1 16 16 GLU H H 16 9.858 9.858 9.113 0.745 19259 998 1 5 . 1 1 17 17 LYS N N 17 125.521 125.521 126.681 -1.160 19259 999 1 5 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.871 -0.418 19259 1000 1 5 . 1 1 17 17 LYS C C 17 175.474 175.474 176.037 -0.563 19259 1001 1 5 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.548 -0.307 19259 1002 1 5 . 1 1 17 17 LYS CB C 17 33.977 33.977 32.995 0.982 19259 1003 1 5 . 1 1 17 17 LYS H H 17 8.980 8.980 8.773 0.207 19259 1004 1 5 . 1 1 18 18 ARG N N 18 127.083 127.083 125.205 1.878 19259 1005 1 5 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.623 -0.170 19259 1006 1 5 . 1 1 18 18 ARG C C 18 173.135 173.135 173.683 -0.548 19259 1007 1 5 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.806 0.806 19259 1008 1 5 . 1 1 18 18 ARG CB C 18 34.628 34.628 34.423 0.205 19259 1009 1 5 . 1 1 18 18 ARG H H 18 8.829 8.829 8.682 0.147 19259 1010 1 5 . 1 1 19 19 MET N N 19 117.317 117.317 120.031 -2.714 19259 1011 1 5 . 1 1 19 19 MET HA H 19 5.027 5.027 5.204 -0.177 19259 1012 1 5 . 1 1 19 19 MET C C 19 176.132 176.132 174.940 1.192 19259 1013 1 5 . 1 1 19 19 MET CA C 19 54.195 54.195 54.167 0.028 19259 1014 1 5 . 1 1 19 19 MET CB C 19 35.215 35.215 36.070 -0.855 19259 1015 1 5 . 1 1 19 19 MET H H 19 8.131 8.131 8.451 -0.320 19259 1016 1 5 . 1 1 20 20 GLU N N 20 129.506 129.506 124.450 5.056 19259 1017 1 5 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.486 0.103 19259 1018 1 5 . 1 1 20 20 GLU C C 20 176.857 176.857 177.623 -0.766 19259 1019 1 5 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.467 0.123 19259 1020 1 5 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.601 -0.442 19259 1021 1 5 . 1 1 20 20 GLU H H 20 9.531 9.531 8.999 0.532 19259 1022 1 5 . 1 1 21 21 ARG N N 21 129.016 129.016 125.587 3.429 19259 1023 1 5 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.118 -0.125 19259 1024 1 5 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.672 0.936 19259 1025 1 5 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.070 0.022 19259 1026 1 5 . 1 1 21 21 ARG H H 21 8.991 8.991 8.864 0.127 19259 1027 1 5 . 1 1 22 22 SER HA H 22 4.244 4.244 4.277 -0.033 19259 1028 1 5 . 1 1 22 22 SER CA C 22 61.081 61.081 60.347 0.734 19259 1029 1 5 . 1 1 22 22 SER CB C 22 62.480 62.480 63.149 -0.669 19259 1030 1 5 . 1 1 23 23 SER N N 23 114.105 114.105 115.329 -1.224 19259 1031 1 5 . 1 1 23 23 SER HA H 23 4.628 4.628 4.602 0.026 19259 1032 1 5 . 1 1 23 23 SER C C 23 176.288 176.288 174.380 1.908 19259 1033 1 5 . 1 1 23 23 SER CA C 23 58.442 58.442 58.389 0.053 19259 1034 1 5 . 1 1 23 23 SER CB C 23 65.782 65.782 64.835 0.947 19259 1035 1 5 . 1 1 23 23 SER H H 23 7.884 7.884 7.638 0.246 19259 1036 1 5 . 1 1 24 24 GLY N N 24 113.237 113.237 112.115 1.122 19259 1037 1 5 . 1 1 24 24 GLY C C 24 173.669 173.669 173.215 0.454 19259 1038 1 5 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.581 0.567 19259 1039 1 5 . 1 1 24 24 GLY H H 24 8.434 8.434 8.223 0.211 19259 1040 1 5 . 1 1 25 25 ARG N N 25 120.269 120.269 120.232 0.037 19259 1041 1 5 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.810 -0.405 19259 1042 1 5 . 1 1 25 25 ARG C C 25 175.948 175.948 175.279 0.669 19259 1043 1 5 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.209 2.676 19259 1044 1 5 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.107 -0.387 19259 1045 1 5 . 1 1 25 25 ARG H H 25 8.058 8.058 7.634 0.424 19259 1046 1 5 . 1 1 26 26 VAL N N 26 124.651 124.651 127.306 -2.655 19259 1047 1 5 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.865 -0.123 19259 1048 1 5 . 1 1 26 26 VAL C C 26 175.406 175.406 175.956 -0.550 19259 1049 1 5 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.061 0.105 19259 1050 1 5 . 1 1 26 26 VAL CB C 26 33.116 33.116 31.852 1.264 19259 1051 1 5 . 1 1 26 26 VAL H H 26 8.508 8.508 8.774 -0.266 19259 1052 1 5 . 1 1 27 27 TYR N N 27 121.966 121.966 120.985 0.981 19259 1053 1 5 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.392 0.490 19259 1054 1 5 . 1 1 27 27 TYR C C 27 170.726 170.726 172.080 -1.354 19259 1055 1 5 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.836 -0.381 19259 1056 1 5 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.620 1.068 19259 1057 1 5 . 1 1 27 27 TYR H H 27 8.664 8.664 8.856 -0.192 19259 1058 1 5 . 1 1 28 28 TYR N N 28 116.945 116.945 116.617 0.328 19259 1059 1 5 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.190 0.081 19259 1060 1 5 . 1 1 28 28 TYR C C 28 174.230 174.230 174.417 -0.187 19259 1061 1 5 . 1 1 28 28 TYR CA C 28 57.206 57.206 56.010 1.196 19259 1062 1 5 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.366 -0.018 19259 1063 1 5 . 1 1 28 28 TYR H H 28 9.005 9.005 8.952 0.053 19259 1064 1 5 . 1 1 29 29 PHE N N 29 124.745 124.745 122.649 2.096 19259 1065 1 5 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.164 0.445 19259 1066 1 5 . 1 1 29 29 PHE C C 29 172.658 172.658 173.409 -0.751 19259 1067 1 5 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.374 -0.362 19259 1068 1 5 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.589 0.848 19259 1069 1 5 . 1 1 29 29 PHE H H 29 9.452 9.452 9.541 -0.089 19259 1070 1 5 . 1 1 30 30 ASN N N 30 128.963 128.963 125.609 3.354 19259 1071 1 5 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.689 -0.243 19259 1072 1 5 . 1 1 30 30 ASN C C 30 174.664 174.664 175.800 -1.136 19259 1073 1 5 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.693 -0.074 19259 1074 1 5 . 1 1 30 30 ASN CB C 30 38.173 38.173 38.177 -0.004 19259 1075 1 5 . 1 1 30 30 ASN H H 30 8.122 8.122 7.864 0.258 19259 1076 1 5 . 1 1 31 31 HIS N N 31 121.463 121.463 124.952 -3.489 19259 1077 1 5 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.708 -0.590 19259 1078 1 5 . 1 1 31 31 HIS C C 31 176.235 176.235 176.372 -0.137 19259 1079 1 5 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.933 -0.074 19259 1080 1 5 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.768 0.703 19259 1081 1 5 . 1 1 31 31 HIS H H 31 8.207 8.207 8.717 -0.510 19259 1082 1 5 . 1 1 32 32 ILE N N 32 121.544 121.544 120.532 1.012 19259 1083 1 5 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.755 0.106 19259 1084 1 5 . 1 1 32 32 ILE C C 32 178.224 178.224 177.420 0.804 19259 1085 1 5 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.968 -0.557 19259 1086 1 5 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.297 -1.099 19259 1087 1 5 . 1 1 32 32 ILE H H 32 8.264 8.264 8.242 0.022 19259 1088 1 5 . 1 1 33 33 THR N N 33 107.975 107.975 111.038 -3.063 19259 1089 1 5 . 1 1 33 33 THR HA H 33 4.119 4.119 4.295 -0.176 19259 1090 1 5 . 1 1 33 33 THR C C 33 176.113 176.113 174.368 1.745 19259 1091 1 5 . 1 1 33 33 THR CA C 33 61.307 61.307 60.791 0.516 19259 1092 1 5 . 1 1 33 33 THR CB C 33 70.083 70.083 69.758 0.325 19259 1093 1 5 . 1 1 33 33 THR H H 33 7.434 7.434 7.508 -0.074 19259 1094 1 5 . 1 1 34 34 ASN N N 34 118.294 118.294 118.706 -0.412 19259 1095 1 5 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.313 -0.191 19259 1096 1 5 . 1 1 34 34 ASN C C 34 173.358 173.358 173.935 -0.577 19259 1097 1 5 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.136 0.912 19259 1098 1 5 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.533 0.067 19259 1099 1 5 . 1 1 34 34 ASN H H 34 8.094 8.094 7.862 0.232 19259 1100 1 5 . 1 1 35 35 ALA N N 35 121.778 121.778 121.432 0.346 19259 1101 1 5 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.170 0.283 19259 1102 1 5 . 1 1 35 35 ALA C C 35 175.421 175.421 175.385 0.036 19259 1103 1 5 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.414 0.642 19259 1104 1 5 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.595 0.279 19259 1105 1 5 . 1 1 35 35 ALA H H 35 7.132 7.132 7.360 -0.228 19259 1106 1 5 . 1 1 36 36 SER N N 36 112.243 112.243 113.440 -1.197 19259 1107 1 5 . 1 1 36 36 SER HA H 36 6.027 6.027 5.111 0.916 19259 1108 1 5 . 1 1 36 36 SER C C 36 174.068 174.068 173.506 0.562 19259 1109 1 5 . 1 1 36 36 SER CA C 36 56.932 56.932 58.091 -1.159 19259 1110 1 5 . 1 1 36 36 SER CB C 36 66.691 66.691 64.815 1.876 19259 1111 1 5 . 1 1 36 36 SER H H 36 8.293 8.293 8.214 0.079 19259 1112 1 5 . 1 1 37 37 GLN N N 37 116.909 116.909 123.332 -6.423 19259 1113 1 5 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.652 0.210 19259 1114 1 5 . 1 1 37 37 GLN C C 37 174.646 174.646 174.386 0.260 19259 1115 1 5 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.365 -0.587 19259 1116 1 5 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.453 -0.401 19259 1117 1 5 . 1 1 37 37 GLN H H 37 9.371 9.371 9.250 0.121 19259 1118 1 5 . 1 1 38 38 TRP N N 38 120.433 120.433 119.319 1.114 19259 1119 1 5 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.751 0.234 19259 1120 1 5 . 1 1 38 38 TRP C C 38 177.071 177.071 177.038 0.033 19259 1121 1 5 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.859 0.959 19259 1122 1 5 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.202 0.422 19259 1123 1 5 . 1 1 38 38 TRP H H 38 8.547 8.547 8.908 -0.361 19259 1124 1 5 . 1 1 39 39 GLU N N 39 117.074 117.074 120.416 -3.342 19259 1125 1 5 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.552 -0.101 19259 1126 1 5 . 1 1 39 39 GLU C C 39 175.702 175.702 176.511 -0.809 19259 1127 1 5 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.855 -0.063 19259 1128 1 5 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.369 -0.038 19259 1129 1 5 . 1 1 39 39 GLU H H 39 8.065 8.065 8.179 -0.114 19259 1130 1 5 . 1 1 40 40 ARG N N 40 125.177 125.177 122.718 2.459 19259 1131 1 5 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.960 -1.296 19259 1132 1 5 . 1 1 40 40 ARG C C 40 174.604 174.604 174.807 -0.203 19259 1133 1 5 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.453 -1.238 19259 1134 1 5 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.259 0.804 19259 1135 1 5 . 1 1 40 40 ARG H H 40 8.549 8.549 8.667 -0.118 19259 1136 1 5 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.035 -0.104 19259 1137 1 5 . 1 1 41 41 PRO C C 41 175.431 175.431 175.604 -0.173 19259 1138 1 5 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.919 0.050 19259 1139 1 5 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.049 0.313 19259 1140 1 5 . 1 1 42 42 SER N N 42 115.527 115.527 114.514 1.013 19259 1141 1 5 . 1 1 42 42 SER HA H 42 4.321 4.321 4.500 -0.179 19259 1142 1 5 . 1 1 42 42 SER C C 42 173.826 173.826 173.681 0.145 19259 1143 1 5 . 1 1 42 42 SER CA C 42 57.886 57.886 57.857 0.029 19259 1144 1 5 . 1 1 42 42 SER CB C 42 64.524 64.524 65.276 -0.752 19259 1145 1 5 . 1 1 42 42 SER H H 42 8.201 8.201 7.960 0.241 19259 1146 1 6 . 1 1 2 2 LEU HA H 2 4.363 4.363 3.942 0.421 19259 1147 1 6 . 1 1 2 2 LEU C C 2 177.746 177.746 176.597 1.149 19259 1148 1 6 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.547 1.056 19259 1149 1 6 . 1 1 2 2 LEU CB C 2 42.291 42.291 41.414 0.877 19259 1150 1 6 . 1 1 3 3 GLU N N 3 121.500 121.500 116.652 4.848 19259 1151 1 6 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.068 0.178 19259 1152 1 6 . 1 1 3 3 GLU C C 3 176.318 176.318 176.163 0.155 19259 1153 1 6 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.591 0.551 19259 1154 1 6 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.881 -0.171 19259 1155 1 6 . 1 1 3 3 GLU H H 3 8.898 8.898 8.178 0.720 19259 1156 1 6 . 1 1 4 4 HIS N N 4 120.262 120.262 119.128 1.134 19259 1157 1 6 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.492 0.140 19259 1158 1 6 . 1 1 4 4 HIS C C 4 175.449 175.449 175.452 -0.003 19259 1159 1 6 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.499 1.115 19259 1160 1 6 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.288 1.572 19259 1161 1 6 . 1 1 4 4 HIS H H 4 8.307 8.307 7.498 0.809 19259 1162 1 6 . 1 1 5 5 MET N N 5 122.219 122.219 124.324 -2.105 19259 1163 1 6 . 1 1 5 5 MET HA H 5 4.473 4.473 4.279 0.194 19259 1164 1 6 . 1 1 5 5 MET C C 5 175.854 175.854 175.853 0.001 19259 1165 1 6 . 1 1 5 5 MET CA C 5 55.366 55.366 56.171 -0.805 19259 1166 1 6 . 1 1 5 5 MET CB C 5 32.921 32.921 30.799 2.122 19259 1167 1 6 . 1 1 5 5 MET H H 5 8.241 8.241 8.885 -0.644 19259 1168 1 6 . 1 1 6 6 ALA N N 6 125.321 125.321 129.803 -4.482 19259 1169 1 6 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.575 -0.257 19259 1170 1 6 . 1 1 6 6 ALA C C 6 177.612 177.612 176.388 1.224 19259 1171 1 6 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.564 1.131 19259 1172 1 6 . 1 1 6 6 ALA CB C 6 19.305 19.305 19.245 0.060 19259 1173 1 6 . 1 1 6 6 ALA H H 6 8.388 8.388 8.511 -0.123 19259 1174 1 6 . 1 1 7 7 ASP N N 7 119.856 119.856 125.392 -5.536 19259 1175 1 6 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.618 -0.020 19259 1176 1 6 . 1 1 7 7 ASP C C 7 176.539 176.539 177.526 -0.987 19259 1177 1 6 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.379 -1.797 19259 1178 1 6 . 1 1 7 7 ASP CB C 7 41.228 41.228 42.104 -0.876 19259 1179 1 6 . 1 1 7 7 ASP H H 7 8.389 8.389 8.575 -0.186 19259 1180 1 6 . 1 1 8 8 GLU N N 8 121.214 121.214 120.248 0.966 19259 1181 1 6 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.013 0.270 19259 1182 1 6 . 1 1 8 8 GLU C C 8 176.568 176.568 178.010 -1.442 19259 1183 1 6 . 1 1 8 8 GLU CA C 8 56.778 56.778 59.052 -2.274 19259 1184 1 6 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.858 1.517 19259 1185 1 6 . 1 1 8 8 GLU H H 8 8.418 8.418 8.767 -0.349 19259 1186 1 6 . 1 1 9 9 GLU N N 9 122.013 122.013 120.466 1.547 19259 1187 1 6 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.181 0.082 19259 1188 1 6 . 1 1 9 9 GLU C C 9 176.229 176.229 176.456 -0.227 19259 1189 1 6 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.281 -0.805 19259 1190 1 6 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.135 1.263 19259 1191 1 6 . 1 1 9 9 GLU H H 9 8.432 8.432 8.682 -0.250 19259 1192 1 6 . 1 1 10 10 LYS N N 10 123.906 123.906 121.060 2.846 19259 1193 1 6 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.343 -0.021 19259 1194 1 6 . 1 1 10 10 LYS C C 10 176.291 176.291 176.292 -0.001 19259 1195 1 6 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.078 1.317 19259 1196 1 6 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.158 1.475 19259 1197 1 6 . 1 1 10 10 LYS H H 10 8.355 8.355 7.516 0.839 19259 1198 1 6 . 1 1 11 11 LEU N N 11 125.459 125.459 126.721 -1.262 19259 1199 1 6 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.055 0.647 19259 1200 1 6 . 1 1 11 11 LEU C C 11 174.150 174.150 176.076 -1.926 19259 1201 1 6 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.642 -0.984 19259 1202 1 6 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.571 1.879 19259 1203 1 6 . 1 1 11 11 LEU H H 11 8.640 8.640 8.175 0.465 19259 1204 1 6 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.655 0.229 19259 1205 1 6 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.307 0.239 19259 1206 1 6 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.956 -1.092 19259 1207 1 6 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.313 0.075 19259 1208 1 6 . 1 1 13 13 PRO C C 13 177.111 177.111 177.373 -0.262 19259 1209 1 6 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.047 0.348 19259 1210 1 6 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.116 0.901 19259 1211 1 6 . 1 1 14 14 GLY N N 14 111.924 111.924 111.044 0.880 19259 1212 1 6 . 1 1 14 14 GLY C C 14 172.870 172.870 173.512 -0.642 19259 1213 1 6 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.484 0.519 19259 1214 1 6 . 1 1 14 14 GLY H H 14 8.807 8.807 8.323 0.484 19259 1215 1 6 . 1 1 15 15 TRP N N 15 117.136 117.136 121.263 -4.127 19259 1216 1 6 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.175 0.151 19259 1217 1 6 . 1 1 15 15 TRP C C 15 176.588 176.588 176.586 0.002 19259 1218 1 6 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.245 -0.054 19259 1219 1 6 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.418 2.181 19259 1220 1 6 . 1 1 15 15 TRP H H 15 7.409 7.409 7.900 -0.491 19259 1221 1 6 . 1 1 16 16 GLU N N 16 120.872 120.872 122.058 -1.186 19259 1222 1 6 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.770 0.105 19259 1223 1 6 . 1 1 16 16 GLU C C 16 174.090 174.090 175.098 -1.008 19259 1224 1 6 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.141 -0.340 19259 1225 1 6 . 1 1 16 16 GLU CB C 16 34.718 34.718 33.991 0.727 19259 1226 1 6 . 1 1 16 16 GLU H H 16 9.858 9.858 9.164 0.694 19259 1227 1 6 . 1 1 17 17 LYS N N 17 125.521 125.521 126.938 -1.417 19259 1228 1 6 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.790 -0.337 19259 1229 1 6 . 1 1 17 17 LYS C C 17 175.474 175.474 176.118 -0.644 19259 1230 1 6 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.635 -0.394 19259 1231 1 6 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.058 0.919 19259 1232 1 6 . 1 1 17 17 LYS H H 17 8.980 8.980 8.730 0.250 19259 1233 1 6 . 1 1 18 18 ARG N N 18 127.083 127.083 125.167 1.916 19259 1234 1 6 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.643 -0.190 19259 1235 1 6 . 1 1 18 18 ARG C C 18 173.135 173.135 173.816 -0.681 19259 1236 1 6 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.516 1.096 19259 1237 1 6 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.725 0.903 19259 1238 1 6 . 1 1 18 18 ARG H H 18 8.829 8.829 8.271 0.558 19259 1239 1 6 . 1 1 19 19 MET N N 19 117.317 117.317 119.849 -2.532 19259 1240 1 6 . 1 1 19 19 MET HA H 19 5.027 5.027 5.195 -0.168 19259 1241 1 6 . 1 1 19 19 MET C C 19 176.132 176.132 175.040 1.092 19259 1242 1 6 . 1 1 19 19 MET CA C 19 54.195 54.195 54.411 -0.216 19259 1243 1 6 . 1 1 19 19 MET CB C 19 35.215 35.215 36.053 -0.838 19259 1244 1 6 . 1 1 19 19 MET H H 19 8.131 8.131 8.450 -0.319 19259 1245 1 6 . 1 1 20 20 GLU N N 20 129.506 129.506 125.317 4.189 19259 1246 1 6 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.443 0.146 19259 1247 1 6 . 1 1 20 20 GLU C C 20 176.857 176.857 177.645 -0.788 19259 1248 1 6 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.727 -0.139 19259 1249 1 6 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.822 -0.663 19259 1250 1 6 . 1 1 20 20 GLU H H 20 9.531 9.531 8.837 0.694 19259 1251 1 6 . 1 1 21 21 ARG N N 21 129.016 129.016 125.338 3.678 19259 1252 1 6 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.277 -0.284 19259 1253 1 6 . 1 1 21 21 ARG CA C 21 59.608 59.608 57.864 1.744 19259 1254 1 6 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.679 0.413 19259 1255 1 6 . 1 1 21 21 ARG H H 21 8.991 8.991 8.769 0.222 19259 1256 1 6 . 1 1 22 22 SER HA H 22 4.244 4.244 4.377 -0.133 19259 1257 1 6 . 1 1 22 22 SER CA C 22 61.081 61.081 60.733 0.349 19259 1258 1 6 . 1 1 22 22 SER CB C 22 62.480 62.480 63.437 -0.957 19259 1259 1 6 . 1 1 23 23 SER N N 23 114.105 114.105 113.128 0.977 19259 1260 1 6 . 1 1 23 23 SER HA H 23 4.628 4.628 4.627 0.001 19259 1261 1 6 . 1 1 23 23 SER C C 23 176.288 176.288 174.448 1.840 19259 1262 1 6 . 1 1 23 23 SER CA C 23 58.442 58.442 58.692 -0.250 19259 1263 1 6 . 1 1 23 23 SER CB C 23 65.782 65.782 66.179 -0.397 19259 1264 1 6 . 1 1 23 23 SER H H 23 7.884 7.884 7.740 0.144 19259 1265 1 6 . 1 1 24 24 GLY N N 24 113.237 113.237 111.569 1.668 19259 1266 1 6 . 1 1 24 24 GLY C C 24 173.669 173.669 172.940 0.729 19259 1267 1 6 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.161 0.987 19259 1268 1 6 . 1 1 24 24 GLY H H 24 8.434 8.434 8.240 0.194 19259 1269 1 6 . 1 1 25 25 ARG N N 25 120.269 120.269 120.253 0.016 19259 1270 1 6 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.791 -0.386 19259 1271 1 6 . 1 1 25 25 ARG C C 25 175.948 175.948 175.519 0.429 19259 1272 1 6 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.207 2.678 19259 1273 1 6 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.840 -0.120 19259 1274 1 6 . 1 1 25 25 ARG H H 25 8.058 8.058 7.784 0.274 19259 1275 1 6 . 1 1 26 26 VAL N N 26 124.651 124.651 127.977 -3.326 19259 1276 1 6 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.795 -0.053 19259 1277 1 6 . 1 1 26 26 VAL C C 26 175.406 175.406 175.684 -0.278 19259 1278 1 6 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.216 -1.050 19259 1279 1 6 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.243 0.873 19259 1280 1 6 . 1 1 26 26 VAL H H 26 8.508 8.508 8.800 -0.292 19259 1281 1 6 . 1 1 27 27 TYR N N 27 121.966 121.966 122.458 -0.492 19259 1282 1 6 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.520 0.362 19259 1283 1 6 . 1 1 27 27 TYR C C 27 170.726 170.726 172.276 -1.550 19259 1284 1 6 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.425 0.030 19259 1285 1 6 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.942 0.746 19259 1286 1 6 . 1 1 27 27 TYR H H 27 8.664 8.664 8.766 -0.102 19259 1287 1 6 . 1 1 28 28 TYR N N 28 116.945 116.945 116.385 0.560 19259 1288 1 6 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.122 0.149 19259 1289 1 6 . 1 1 28 28 TYR C C 28 174.230 174.230 174.488 -0.258 19259 1290 1 6 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.757 1.449 19259 1291 1 6 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.395 -0.047 19259 1292 1 6 . 1 1 28 28 TYR H H 28 9.005 9.005 8.814 0.191 19259 1293 1 6 . 1 1 29 29 PHE N N 29 124.745 124.745 123.059 1.686 19259 1294 1 6 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.177 0.432 19259 1295 1 6 . 1 1 29 29 PHE C C 29 172.658 172.658 173.455 -0.797 19259 1296 1 6 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.337 -0.325 19259 1297 1 6 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.382 1.055 19259 1298 1 6 . 1 1 29 29 PHE H H 29 9.452 9.452 9.393 0.059 19259 1299 1 6 . 1 1 30 30 ASN N N 30 128.963 128.963 126.358 2.605 19259 1300 1 6 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.441 0.005 19259 1301 1 6 . 1 1 30 30 ASN C C 30 174.664 174.664 175.558 -0.894 19259 1302 1 6 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.532 0.086 19259 1303 1 6 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.413 0.759 19259 1304 1 6 . 1 1 30 30 ASN H H 30 8.122 8.122 7.959 0.163 19259 1305 1 6 . 1 1 31 31 HIS N N 31 121.463 121.463 124.713 -3.250 19259 1306 1 6 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.562 -0.444 19259 1307 1 6 . 1 1 31 31 HIS C C 31 176.235 176.235 175.740 0.495 19259 1308 1 6 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.476 0.383 19259 1309 1 6 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.614 0.857 19259 1310 1 6 . 1 1 31 31 HIS H H 31 8.207 8.207 8.756 -0.549 19259 1311 1 6 . 1 1 32 32 ILE N N 32 121.544 121.544 118.904 2.640 19259 1312 1 6 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.767 0.094 19259 1313 1 6 . 1 1 32 32 ILE C C 32 178.224 178.224 177.082 1.142 19259 1314 1 6 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.230 0.181 19259 1315 1 6 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.236 -1.038 19259 1316 1 6 . 1 1 32 32 ILE H H 32 8.264 8.264 7.464 0.800 19259 1317 1 6 . 1 1 33 33 THR N N 33 107.975 107.975 111.367 -3.392 19259 1318 1 6 . 1 1 33 33 THR HA H 33 4.119 4.119 4.262 -0.143 19259 1319 1 6 . 1 1 33 33 THR C C 33 176.113 176.113 174.699 1.414 19259 1320 1 6 . 1 1 33 33 THR CA C 33 61.307 61.307 61.260 0.047 19259 1321 1 6 . 1 1 33 33 THR CB C 33 70.083 70.083 69.408 0.675 19259 1322 1 6 . 1 1 33 33 THR H H 33 7.434 7.434 7.302 0.132 19259 1323 1 6 . 1 1 34 34 ASN N N 34 118.294 118.294 118.644 -0.350 19259 1324 1 6 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.013 0.109 19259 1325 1 6 . 1 1 34 34 ASN C C 34 173.358 173.358 173.528 -0.170 19259 1326 1 6 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.003 1.045 19259 1327 1 6 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.593 0.007 19259 1328 1 6 . 1 1 34 34 ASN H H 34 8.094 8.094 7.971 0.123 19259 1329 1 6 . 1 1 35 35 ALA N N 35 121.778 121.778 119.275 2.503 19259 1330 1 6 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.437 0.016 19259 1331 1 6 . 1 1 35 35 ALA C C 35 175.421 175.421 175.522 -0.101 19259 1332 1 6 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.094 0.962 19259 1333 1 6 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.897 -0.023 19259 1334 1 6 . 1 1 35 35 ALA H H 35 7.132 7.132 7.417 -0.285 19259 1335 1 6 . 1 1 36 36 SER N N 36 112.243 112.243 113.314 -1.071 19259 1336 1 6 . 1 1 36 36 SER HA H 36 6.027 6.027 5.137 0.890 19259 1337 1 6 . 1 1 36 36 SER C C 36 174.068 174.068 173.419 0.649 19259 1338 1 6 . 1 1 36 36 SER CA C 36 56.932 56.932 58.017 -1.085 19259 1339 1 6 . 1 1 36 36 SER CB C 36 66.691 66.691 66.317 0.374 19259 1340 1 6 . 1 1 36 36 SER H H 36 8.293 8.293 8.170 0.123 19259 1341 1 6 . 1 1 37 37 GLN N N 37 116.909 116.909 121.180 -4.271 19259 1342 1 6 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.608 0.254 19259 1343 1 6 . 1 1 37 37 GLN C C 37 174.646 174.646 174.504 0.142 19259 1344 1 6 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.589 -0.811 19259 1345 1 6 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.881 -0.829 19259 1346 1 6 . 1 1 37 37 GLN H H 37 9.371 9.371 9.099 0.272 19259 1347 1 6 . 1 1 38 38 TRP N N 38 120.433 120.433 119.127 1.306 19259 1348 1 6 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.632 0.353 19259 1349 1 6 . 1 1 38 38 TRP C C 38 177.071 177.071 176.190 0.881 19259 1350 1 6 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.639 1.179 19259 1351 1 6 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.576 0.048 19259 1352 1 6 . 1 1 38 38 TRP H H 38 8.547 8.547 8.673 -0.126 19259 1353 1 6 . 1 1 39 39 GLU N N 39 117.074 117.074 119.927 -2.853 19259 1354 1 6 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.472 -0.021 19259 1355 1 6 . 1 1 39 39 GLU C C 39 175.702 175.702 176.525 -0.823 19259 1356 1 6 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.524 0.268 19259 1357 1 6 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.332 -0.001 19259 1358 1 6 . 1 1 39 39 GLU H H 39 8.065 8.065 8.001 0.064 19259 1359 1 6 . 1 1 40 40 ARG N N 40 125.177 125.177 123.249 1.928 19259 1360 1 6 . 1 1 40 40 ARG HA H 40 2.664 2.664 4.003 -1.339 19259 1361 1 6 . 1 1 40 40 ARG C C 40 174.604 174.604 174.865 -0.261 19259 1362 1 6 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.189 -0.974 19259 1363 1 6 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.534 0.529 19259 1364 1 6 . 1 1 40 40 ARG H H 40 8.549 8.549 8.612 -0.063 19259 1365 1 6 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.216 -0.285 19259 1366 1 6 . 1 1 41 41 PRO C C 41 175.431 175.431 175.490 -0.059 19259 1367 1 6 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.764 0.205 19259 1368 1 6 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.391 -0.029 19259 1369 1 6 . 1 1 42 42 SER N N 42 115.527 115.527 114.247 1.280 19259 1370 1 6 . 1 1 42 42 SER HA H 42 4.321 4.321 4.528 -0.207 19259 1371 1 6 . 1 1 42 42 SER C C 42 173.826 173.826 174.580 -0.754 19259 1372 1 6 . 1 1 42 42 SER CA C 42 57.886 57.886 58.323 -0.437 19259 1373 1 6 . 1 1 42 42 SER CB C 42 64.524 64.524 64.466 0.058 19259 1374 1 6 . 1 1 42 42 SER H H 42 8.201 8.201 8.073 0.128 19259 1375 1 7 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.342 0.021 19259 1376 1 7 . 1 1 2 2 LEU C C 2 177.746 177.746 177.069 0.677 19259 1377 1 7 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.786 -0.183 19259 1378 1 7 . 1 1 2 2 LEU CB C 2 42.291 42.291 41.809 0.482 19259 1379 1 7 . 1 1 3 3 GLU N N 3 121.500 121.500 115.878 5.622 19259 1380 1 7 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.629 -0.383 19259 1381 1 7 . 1 1 3 3 GLU C C 3 176.318 176.318 175.264 1.054 19259 1382 1 7 . 1 1 3 3 GLU CA C 3 57.142 57.142 54.978 2.164 19259 1383 1 7 . 1 1 3 3 GLU CB C 3 29.710 29.710 31.127 -1.417 19259 1384 1 7 . 1 1 3 3 GLU H H 3 8.898 8.898 7.683 1.215 19259 1385 1 7 . 1 1 4 4 HIS N N 4 120.262 120.262 118.347 1.915 19259 1386 1 7 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.313 0.319 19259 1387 1 7 . 1 1 4 4 HIS C C 4 175.449 175.449 173.974 1.475 19259 1388 1 7 . 1 1 4 4 HIS CA C 4 56.614 56.614 56.190 0.424 19259 1389 1 7 . 1 1 4 4 HIS CB C 4 30.860 30.860 28.712 2.148 19259 1390 1 7 . 1 1 4 4 HIS H H 4 8.307 8.307 8.608 -0.301 19259 1391 1 7 . 1 1 5 5 MET N N 5 122.219 122.219 119.085 3.134 19259 1392 1 7 . 1 1 5 5 MET HA H 5 4.473 4.473 4.482 -0.009 19259 1393 1 7 . 1 1 5 5 MET C C 5 175.854 175.854 175.249 0.605 19259 1394 1 7 . 1 1 5 5 MET CA C 5 55.366 55.366 55.681 -0.314 19259 1395 1 7 . 1 1 5 5 MET CB C 5 32.921 32.921 33.852 -0.931 19259 1396 1 7 . 1 1 5 5 MET H H 5 8.241 8.241 7.839 0.402 19259 1397 1 7 . 1 1 6 6 ALA N N 6 125.321 125.321 123.665 1.656 19259 1398 1 7 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.540 -0.222 19259 1399 1 7 . 1 1 6 6 ALA C C 6 177.612 177.612 176.366 1.246 19259 1400 1 7 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.726 0.969 19259 1401 1 7 . 1 1 6 6 ALA CB C 6 19.305 19.305 20.467 -1.162 19259 1402 1 7 . 1 1 6 6 ALA H H 6 8.388 8.388 8.051 0.337 19259 1403 1 7 . 1 1 7 7 ASP N N 7 119.856 119.856 118.571 1.285 19259 1404 1 7 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.604 -0.006 19259 1405 1 7 . 1 1 7 7 ASP C C 7 176.539 176.539 177.027 -0.488 19259 1406 1 7 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.019 -0.437 19259 1407 1 7 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.108 0.120 19259 1408 1 7 . 1 1 7 7 ASP H H 7 8.389 8.389 8.602 -0.213 19259 1409 1 7 . 1 1 8 8 GLU N N 8 121.214 121.214 120.004 1.210 19259 1410 1 7 . 1 1 8 8 GLU HA H 8 4.283 4.283 3.951 0.332 19259 1411 1 7 . 1 1 8 8 GLU C C 8 176.568 176.568 177.645 -1.077 19259 1412 1 7 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.388 -1.610 19259 1413 1 7 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.400 1.975 19259 1414 1 7 . 1 1 8 8 GLU H H 8 8.418 8.418 8.774 -0.356 19259 1415 1 7 . 1 1 9 9 GLU N N 9 122.013 122.013 117.814 4.199 19259 1416 1 7 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.287 -0.024 19259 1417 1 7 . 1 1 9 9 GLU C C 9 176.229 176.229 176.022 0.207 19259 1418 1 7 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.163 0.313 19259 1419 1 7 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.580 0.818 19259 1420 1 7 . 1 1 9 9 GLU H H 9 8.432 8.432 8.358 0.074 19259 1421 1 7 . 1 1 10 10 LYS N N 10 123.906 123.906 121.807 2.099 19259 1422 1 7 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.347 -0.025 19259 1423 1 7 . 1 1 10 10 LYS C C 10 176.291 176.291 176.188 0.103 19259 1424 1 7 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.517 0.877 19259 1425 1 7 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.220 1.413 19259 1426 1 7 . 1 1 10 10 LYS H H 10 8.355 8.355 7.872 0.483 19259 1427 1 7 . 1 1 11 11 LEU N N 11 125.459 125.459 127.144 -1.685 19259 1428 1 7 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.154 0.548 19259 1429 1 7 . 1 1 11 11 LEU C C 11 174.150 174.150 175.690 -1.540 19259 1430 1 7 . 1 1 11 11 LEU CA C 11 52.658 52.658 52.890 -0.232 19259 1431 1 7 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.354 2.096 19259 1432 1 7 . 1 1 11 11 LEU H H 11 8.640 8.640 8.148 0.492 19259 1433 1 7 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.638 0.246 19259 1434 1 7 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.368 0.178 19259 1435 1 7 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.891 -1.027 19259 1436 1 7 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.320 0.068 19259 1437 1 7 . 1 1 13 13 PRO C C 13 177.111 177.111 177.684 -0.573 19259 1438 1 7 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.011 0.383 19259 1439 1 7 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.418 0.599 19259 1440 1 7 . 1 1 14 14 GLY N N 14 111.924 111.924 111.011 0.913 19259 1441 1 7 . 1 1 14 14 GLY C C 14 172.870 172.870 173.581 -0.711 19259 1442 1 7 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.633 0.370 19259 1443 1 7 . 1 1 14 14 GLY H H 14 8.807 8.807 8.722 0.085 19259 1444 1 7 . 1 1 15 15 TRP N N 15 117.136 117.136 121.177 -4.041 19259 1445 1 7 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.143 0.183 19259 1446 1 7 . 1 1 15 15 TRP C C 15 176.588 176.588 176.453 0.135 19259 1447 1 7 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.072 0.119 19259 1448 1 7 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.416 2.183 19259 1449 1 7 . 1 1 15 15 TRP H H 15 7.409 7.409 7.857 -0.448 19259 1450 1 7 . 1 1 16 16 GLU N N 16 120.872 120.872 122.434 -1.562 19259 1451 1 7 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.782 0.093 19259 1452 1 7 . 1 1 16 16 GLU C C 16 174.090 174.090 175.135 -1.045 19259 1453 1 7 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.959 -0.158 19259 1454 1 7 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.044 0.674 19259 1455 1 7 . 1 1 16 16 GLU H H 16 9.858 9.858 9.149 0.709 19259 1456 1 7 . 1 1 17 17 LYS N N 17 125.521 125.521 126.817 -1.296 19259 1457 1 7 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.689 -0.236 19259 1458 1 7 . 1 1 17 17 LYS C C 17 175.474 175.474 176.232 -0.758 19259 1459 1 7 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.896 -0.655 19259 1460 1 7 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.146 0.831 19259 1461 1 7 . 1 1 17 17 LYS H H 17 8.980 8.980 8.788 0.192 19259 1462 1 7 . 1 1 18 18 ARG N N 18 127.083 127.083 125.278 1.805 19259 1463 1 7 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.640 -0.187 19259 1464 1 7 . 1 1 18 18 ARG C C 18 173.135 173.135 173.842 -0.707 19259 1465 1 7 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.625 0.987 19259 1466 1 7 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.933 0.695 19259 1467 1 7 . 1 1 18 18 ARG H H 18 8.829 8.829 8.736 0.093 19259 1468 1 7 . 1 1 19 19 MET N N 19 117.317 117.317 120.285 -2.968 19259 1469 1 7 . 1 1 19 19 MET HA H 19 5.027 5.027 5.256 -0.229 19259 1470 1 7 . 1 1 19 19 MET C C 19 176.132 176.132 174.926 1.206 19259 1471 1 7 . 1 1 19 19 MET CA C 19 54.195 54.195 54.312 -0.117 19259 1472 1 7 . 1 1 19 19 MET CB C 19 35.215 35.215 36.246 -1.031 19259 1473 1 7 . 1 1 19 19 MET H H 19 8.131 8.131 8.428 -0.297 19259 1474 1 7 . 1 1 20 20 GLU N N 20 129.506 129.506 125.258 4.248 19259 1475 1 7 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.386 0.203 19259 1476 1 7 . 1 1 20 20 GLU C C 20 176.857 176.857 177.456 -0.599 19259 1477 1 7 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.987 -0.398 19259 1478 1 7 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.687 -0.528 19259 1479 1 7 . 1 1 20 20 GLU H H 20 9.531 9.531 9.016 0.515 19259 1480 1 7 . 1 1 21 21 ARG N N 21 129.016 129.016 127.376 1.640 19259 1481 1 7 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.168 -0.175 19259 1482 1 7 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.245 1.363 19259 1483 1 7 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.077 0.015 19259 1484 1 7 . 1 1 21 21 ARG H H 21 8.991 8.991 8.941 0.050 19259 1485 1 7 . 1 1 22 22 SER HA H 22 4.244 4.244 4.324 -0.080 19259 1486 1 7 . 1 1 22 22 SER CA C 22 61.081 61.081 60.431 0.650 19259 1487 1 7 . 1 1 22 22 SER CB C 22 62.480 62.480 63.308 -0.828 19259 1488 1 7 . 1 1 23 23 SER N N 23 114.105 114.105 113.392 0.713 19259 1489 1 7 . 1 1 23 23 SER HA H 23 4.628 4.628 4.631 -0.003 19259 1490 1 7 . 1 1 23 23 SER C C 23 176.288 176.288 174.305 1.983 19259 1491 1 7 . 1 1 23 23 SER CA C 23 58.442 58.442 58.469 -0.027 19259 1492 1 7 . 1 1 23 23 SER CB C 23 65.782 65.782 66.202 -0.420 19259 1493 1 7 . 1 1 23 23 SER H H 23 7.884 7.884 7.923 -0.039 19259 1494 1 7 . 1 1 24 24 GLY N N 24 113.237 113.237 110.701 2.536 19259 1495 1 7 . 1 1 24 24 GLY C C 24 173.669 173.669 173.430 0.239 19259 1496 1 7 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.562 0.586 19259 1497 1 7 . 1 1 24 24 GLY H H 24 8.434 8.434 8.103 0.331 19259 1498 1 7 . 1 1 25 25 ARG N N 25 120.269 120.269 122.189 -1.920 19259 1499 1 7 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.698 -0.293 19259 1500 1 7 . 1 1 25 25 ARG C C 25 175.948 175.948 175.091 0.857 19259 1501 1 7 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.304 2.581 19259 1502 1 7 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.480 -0.760 19259 1503 1 7 . 1 1 25 25 ARG H H 25 8.058 8.058 8.050 0.008 19259 1504 1 7 . 1 1 26 26 VAL N N 26 124.651 124.651 126.478 -1.827 19259 1505 1 7 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.756 -0.014 19259 1506 1 7 . 1 1 26 26 VAL C C 26 175.406 175.406 175.503 -0.097 19259 1507 1 7 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.015 -0.849 19259 1508 1 7 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.394 0.722 19259 1509 1 7 . 1 1 26 26 VAL H H 26 8.508 8.508 8.516 -0.008 19259 1510 1 7 . 1 1 27 27 TYR N N 27 121.966 121.966 122.906 -0.940 19259 1511 1 7 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.449 0.433 19259 1512 1 7 . 1 1 27 27 TYR C C 27 170.726 170.726 172.293 -1.567 19259 1513 1 7 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.625 -0.170 19259 1514 1 7 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.196 0.492 19259 1515 1 7 . 1 1 27 27 TYR H H 27 8.664 8.664 8.711 -0.047 19259 1516 1 7 . 1 1 28 28 TYR N N 28 116.945 116.945 116.635 0.310 19259 1517 1 7 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.236 0.035 19259 1518 1 7 . 1 1 28 28 TYR C C 28 174.230 174.230 174.616 -0.386 19259 1519 1 7 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.807 1.399 19259 1520 1 7 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.336 0.012 19259 1521 1 7 . 1 1 28 28 TYR H H 28 9.005 9.005 8.837 0.168 19259 1522 1 7 . 1 1 29 29 PHE N N 29 124.745 124.745 122.516 2.229 19259 1523 1 7 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.137 0.472 19259 1524 1 7 . 1 1 29 29 PHE C C 29 172.658 172.658 173.543 -0.885 19259 1525 1 7 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.536 -0.524 19259 1526 1 7 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.359 1.078 19259 1527 1 7 . 1 1 29 29 PHE H H 29 9.452 9.452 9.469 -0.017 19259 1528 1 7 . 1 1 30 30 ASN N N 30 128.963 128.963 126.551 2.412 19259 1529 1 7 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.411 0.035 19259 1530 1 7 . 1 1 30 30 ASN C C 30 174.664 174.664 175.610 -0.946 19259 1531 1 7 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.345 0.274 19259 1532 1 7 . 1 1 30 30 ASN CB C 30 38.173 38.173 36.976 1.197 19259 1533 1 7 . 1 1 30 30 ASN H H 30 8.122 8.122 8.147 -0.025 19259 1534 1 7 . 1 1 31 31 HIS N N 31 121.463 121.463 123.252 -1.789 19259 1535 1 7 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.540 -0.422 19259 1536 1 7 . 1 1 31 31 HIS C C 31 176.235 176.235 176.179 0.056 19259 1537 1 7 . 1 1 31 31 HIS CA C 31 57.859 57.859 58.076 -0.217 19259 1538 1 7 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.577 0.894 19259 1539 1 7 . 1 1 31 31 HIS H H 31 8.207 8.207 8.621 -0.414 19259 1540 1 7 . 1 1 32 32 ILE N N 32 121.544 121.544 119.668 1.876 19259 1541 1 7 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.796 0.065 19259 1542 1 7 . 1 1 32 32 ILE C C 32 178.224 178.224 177.364 0.860 19259 1543 1 7 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.676 -0.265 19259 1544 1 7 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.374 -1.176 19259 1545 1 7 . 1 1 32 32 ILE H H 32 8.264 8.264 7.441 0.823 19259 1546 1 7 . 1 1 33 33 THR N N 33 107.975 107.975 111.552 -3.577 19259 1547 1 7 . 1 1 33 33 THR HA H 33 4.119 4.119 4.240 -0.121 19259 1548 1 7 . 1 1 33 33 THR C C 33 176.113 176.113 174.992 1.121 19259 1549 1 7 . 1 1 33 33 THR CA C 33 61.307 61.307 61.291 0.016 19259 1550 1 7 . 1 1 33 33 THR CB C 33 70.083 70.083 69.542 0.541 19259 1551 1 7 . 1 1 33 33 THR H H 33 7.434 7.434 7.378 0.056 19259 1552 1 7 . 1 1 34 34 ASN N N 34 118.294 118.294 117.618 0.676 19259 1553 1 7 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.122 0.000 19259 1554 1 7 . 1 1 34 34 ASN C C 34 173.358 173.358 173.869 -0.511 19259 1555 1 7 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.381 1.667 19259 1556 1 7 . 1 1 34 34 ASN CB C 34 37.600 37.600 38.156 -0.556 19259 1557 1 7 . 1 1 34 34 ASN H H 34 8.094 8.094 8.114 -0.020 19259 1558 1 7 . 1 1 35 35 ALA N N 35 121.778 121.778 121.816 -0.038 19259 1559 1 7 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.296 0.157 19259 1560 1 7 . 1 1 35 35 ALA C C 35 175.421 175.421 175.558 -0.137 19259 1561 1 7 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.897 0.160 19259 1562 1 7 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.014 0.860 19259 1563 1 7 . 1 1 35 35 ALA H H 35 7.132 7.132 7.120 0.012 19259 1564 1 7 . 1 1 36 36 SER N N 36 112.243 112.243 112.929 -0.686 19259 1565 1 7 . 1 1 36 36 SER HA H 36 6.027 6.027 5.198 0.829 19259 1566 1 7 . 1 1 36 36 SER C C 36 174.068 174.068 173.507 0.561 19259 1567 1 7 . 1 1 36 36 SER CA C 36 56.932 56.932 57.782 -0.850 19259 1568 1 7 . 1 1 36 36 SER CB C 36 66.691 66.691 65.799 0.892 19259 1569 1 7 . 1 1 36 36 SER H H 36 8.293 8.293 8.229 0.064 19259 1570 1 7 . 1 1 37 37 GLN N N 37 116.909 116.909 122.130 -5.221 19259 1571 1 7 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.565 0.297 19259 1572 1 7 . 1 1 37 37 GLN C C 37 174.646 174.646 174.420 0.226 19259 1573 1 7 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.392 -0.614 19259 1574 1 7 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.941 -0.888 19259 1575 1 7 . 1 1 37 37 GLN H H 37 9.371 9.371 9.119 0.252 19259 1576 1 7 . 1 1 38 38 TRP N N 38 120.433 120.433 118.879 1.554 19259 1577 1 7 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.604 0.381 19259 1578 1 7 . 1 1 38 38 TRP C C 38 177.071 177.071 176.245 0.826 19259 1579 1 7 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.572 1.246 19259 1580 1 7 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.159 0.465 19259 1581 1 7 . 1 1 38 38 TRP H H 38 8.547 8.547 9.001 -0.454 19259 1582 1 7 . 1 1 39 39 GLU N N 39 117.074 117.074 119.090 -2.016 19259 1583 1 7 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.594 -0.143 19259 1584 1 7 . 1 1 39 39 GLU C C 39 175.702 175.702 176.721 -1.019 19259 1585 1 7 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.526 0.266 19259 1586 1 7 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.505 -0.173 19259 1587 1 7 . 1 1 39 39 GLU H H 39 8.065 8.065 8.218 -0.153 19259 1588 1 7 . 1 1 40 40 ARG N N 40 125.177 125.177 123.913 1.264 19259 1589 1 7 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.893 -1.229 19259 1590 1 7 . 1 1 40 40 ARG C C 40 174.604 174.604 174.891 -0.287 19259 1591 1 7 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.361 -1.146 19259 1592 1 7 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.454 0.609 19259 1593 1 7 . 1 1 40 40 ARG H H 40 8.549 8.549 8.541 0.008 19259 1594 1 7 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.010 -0.079 19259 1595 1 7 . 1 1 41 41 PRO C C 41 175.431 175.431 175.744 -0.313 19259 1596 1 7 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.864 0.105 19259 1597 1 7 . 1 1 41 41 PRO CB C 41 31.362 31.362 30.928 0.434 19259 1598 1 7 . 1 1 42 42 SER N N 42 115.527 115.527 112.887 2.640 19259 1599 1 7 . 1 1 42 42 SER HA H 42 4.321 4.321 4.444 -0.123 19259 1600 1 7 . 1 1 42 42 SER C C 42 173.826 173.826 173.406 0.420 19259 1601 1 7 . 1 1 42 42 SER CA C 42 57.886 57.886 57.751 0.135 19259 1602 1 7 . 1 1 42 42 SER CB C 42 64.524 64.524 65.655 -1.131 19259 1603 1 7 . 1 1 42 42 SER H H 42 8.201 8.201 8.069 0.132 19259 1604 1 8 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.192 0.171 19259 1605 1 8 . 1 1 2 2 LEU C C 2 177.746 177.746 176.705 1.041 19259 1606 1 8 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.291 0.312 19259 1607 1 8 . 1 1 2 2 LEU CB C 2 42.291 42.291 40.941 1.350 19259 1608 1 8 . 1 1 3 3 GLU N N 3 121.500 121.500 118.101 3.399 19259 1609 1 8 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.270 -0.024 19259 1610 1 8 . 1 1 3 3 GLU C C 3 176.318 176.318 177.984 -1.666 19259 1611 1 8 . 1 1 3 3 GLU CA C 3 57.142 57.142 57.315 -0.173 19259 1612 1 8 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.759 -0.049 19259 1613 1 8 . 1 1 3 3 GLU H H 3 8.898 8.898 8.609 0.289 19259 1614 1 8 . 1 1 4 4 HIS N N 4 120.262 120.262 118.669 1.593 19259 1615 1 8 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.426 0.206 19259 1616 1 8 . 1 1 4 4 HIS C C 4 175.449 175.449 175.250 0.199 19259 1617 1 8 . 1 1 4 4 HIS CA C 4 56.614 56.614 57.795 -1.181 19259 1618 1 8 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.701 1.159 19259 1619 1 8 . 1 1 4 4 HIS H H 4 8.307 8.307 8.571 -0.264 19259 1620 1 8 . 1 1 5 5 MET N N 5 122.219 122.219 114.885 7.334 19259 1621 1 8 . 1 1 5 5 MET HA H 5 4.473 4.473 4.570 -0.097 19259 1622 1 8 . 1 1 5 5 MET C C 5 175.854 175.854 174.942 0.912 19259 1623 1 8 . 1 1 5 5 MET CA C 5 55.366 55.366 54.793 0.573 19259 1624 1 8 . 1 1 5 5 MET CB C 5 32.921 32.921 33.908 -0.987 19259 1625 1 8 . 1 1 5 5 MET H H 5 8.241 8.241 7.801 0.440 19259 1626 1 8 . 1 1 6 6 ALA N N 6 125.321 125.321 124.701 0.620 19259 1627 1 8 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.263 0.055 19259 1628 1 8 . 1 1 6 6 ALA C C 6 177.612 177.612 175.955 1.657 19259 1629 1 8 . 1 1 6 6 ALA CA C 6 52.695 52.695 52.257 0.438 19259 1630 1 8 . 1 1 6 6 ALA CB C 6 19.305 19.305 18.786 0.519 19259 1631 1 8 . 1 1 6 6 ALA H H 6 8.388 8.388 7.696 0.692 19259 1632 1 8 . 1 1 7 7 ASP N N 7 119.856 119.856 123.323 -3.467 19259 1633 1 8 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.573 0.025 19259 1634 1 8 . 1 1 7 7 ASP C C 7 176.539 176.539 177.516 -0.977 19259 1635 1 8 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.426 -1.844 19259 1636 1 8 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.903 -0.675 19259 1637 1 8 . 1 1 7 7 ASP H H 7 8.389 8.389 8.488 -0.099 19259 1638 1 8 . 1 1 8 8 GLU N N 8 121.214 121.214 120.214 1.000 19259 1639 1 8 . 1 1 8 8 GLU HA H 8 4.283 4.283 3.987 0.296 19259 1640 1 8 . 1 1 8 8 GLU C C 8 176.568 176.568 177.583 -1.015 19259 1641 1 8 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.495 -1.717 19259 1642 1 8 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.566 1.809 19259 1643 1 8 . 1 1 8 8 GLU H H 8 8.418 8.418 8.876 -0.458 19259 1644 1 8 . 1 1 9 9 GLU N N 9 122.013 122.013 120.194 1.819 19259 1645 1 8 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.129 0.134 19259 1646 1 8 . 1 1 9 9 GLU C C 9 176.229 176.229 175.939 0.290 19259 1647 1 8 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.479 -1.003 19259 1648 1 8 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.384 1.014 19259 1649 1 8 . 1 1 9 9 GLU H H 9 8.432 8.432 8.389 0.043 19259 1650 1 8 . 1 1 10 10 LYS N N 10 123.906 123.906 121.420 2.486 19259 1651 1 8 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.214 0.108 19259 1652 1 8 . 1 1 10 10 LYS C C 10 176.291 176.291 176.271 0.020 19259 1653 1 8 . 1 1 10 10 LYS CA C 10 56.395 56.395 56.288 0.107 19259 1654 1 8 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.399 1.234 19259 1655 1 8 . 1 1 10 10 LYS H H 10 8.355 8.355 7.720 0.635 19259 1656 1 8 . 1 1 11 11 LEU N N 11 125.459 125.459 127.107 -1.648 19259 1657 1 8 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.116 0.586 19259 1658 1 8 . 1 1 11 11 LEU C C 11 174.150 174.150 175.965 -1.815 19259 1659 1 8 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.055 -0.397 19259 1660 1 8 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.596 1.854 19259 1661 1 8 . 1 1 11 11 LEU H H 11 8.640 8.640 8.129 0.511 19259 1662 1 8 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.649 0.235 19259 1663 1 8 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.399 0.147 19259 1664 1 8 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.747 -0.883 19259 1665 1 8 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.341 0.047 19259 1666 1 8 . 1 1 13 13 PRO C C 13 177.111 177.111 177.874 -0.763 19259 1667 1 8 . 1 1 13 13 PRO CA C 13 64.395 64.395 63.917 0.477 19259 1668 1 8 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.770 0.247 19259 1669 1 8 . 1 1 14 14 GLY N N 14 111.924 111.924 110.321 1.603 19259 1670 1 8 . 1 1 14 14 GLY C C 14 172.870 172.870 173.996 -1.126 19259 1671 1 8 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.977 0.026 19259 1672 1 8 . 1 1 14 14 GLY H H 14 8.807 8.807 8.843 -0.036 19259 1673 1 8 . 1 1 15 15 TRP N N 15 117.136 117.136 120.979 -3.843 19259 1674 1 8 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.166 0.160 19259 1675 1 8 . 1 1 15 15 TRP C C 15 176.588 176.588 176.699 -0.111 19259 1676 1 8 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.170 0.021 19259 1677 1 8 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.409 2.190 19259 1678 1 8 . 1 1 15 15 TRP H H 15 7.409 7.409 7.692 -0.283 19259 1679 1 8 . 1 1 16 16 GLU N N 16 120.872 120.872 121.809 -0.937 19259 1680 1 8 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.793 0.082 19259 1681 1 8 . 1 1 16 16 GLU C C 16 174.090 174.090 174.989 -0.899 19259 1682 1 8 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.126 -0.325 19259 1683 1 8 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.334 0.384 19259 1684 1 8 . 1 1 16 16 GLU H H 16 9.858 9.858 9.143 0.715 19259 1685 1 8 . 1 1 17 17 LYS N N 17 125.521 125.521 126.532 -1.011 19259 1686 1 8 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.743 -0.290 19259 1687 1 8 . 1 1 17 17 LYS C C 17 175.474 175.474 176.002 -0.528 19259 1688 1 8 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.453 -0.212 19259 1689 1 8 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.094 0.883 19259 1690 1 8 . 1 1 17 17 LYS H H 17 8.980 8.980 8.717 0.263 19259 1691 1 8 . 1 1 18 18 ARG N N 18 127.083 127.083 125.135 1.948 19259 1692 1 8 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.633 -0.180 19259 1693 1 8 . 1 1 18 18 ARG C C 18 173.135 173.135 173.759 -0.624 19259 1694 1 8 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.334 1.278 19259 1695 1 8 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.494 1.134 19259 1696 1 8 . 1 1 18 18 ARG H H 18 8.829 8.829 8.236 0.593 19259 1697 1 8 . 1 1 19 19 MET N N 19 117.317 117.317 120.137 -2.820 19259 1698 1 8 . 1 1 19 19 MET HA H 19 5.027 5.027 5.227 -0.200 19259 1699 1 8 . 1 1 19 19 MET C C 19 176.132 176.132 175.106 1.026 19259 1700 1 8 . 1 1 19 19 MET CA C 19 54.195 54.195 54.364 -0.169 19259 1701 1 8 . 1 1 19 19 MET CB C 19 35.215 35.215 36.294 -1.079 19259 1702 1 8 . 1 1 19 19 MET H H 19 8.131 8.131 8.457 -0.326 19259 1703 1 8 . 1 1 20 20 GLU N N 20 129.506 129.506 125.614 3.892 19259 1704 1 8 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.349 0.240 19259 1705 1 8 . 1 1 20 20 GLU C C 20 176.857 176.857 177.283 -0.426 19259 1706 1 8 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.905 -0.316 19259 1707 1 8 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.253 -0.094 19259 1708 1 8 . 1 1 20 20 GLU H H 20 9.531 9.531 8.976 0.555 19259 1709 1 8 . 1 1 21 21 ARG N N 21 129.016 129.016 123.729 5.287 19259 1710 1 8 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.132 -0.139 19259 1711 1 8 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.282 1.326 19259 1712 1 8 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.632 0.460 19259 1713 1 8 . 1 1 21 21 ARG H H 21 8.991 8.991 8.554 0.437 19259 1714 1 8 . 1 1 22 22 SER HA H 22 4.244 4.244 4.285 -0.041 19259 1715 1 8 . 1 1 22 22 SER CA C 22 61.081 61.081 60.548 0.533 19259 1716 1 8 . 1 1 22 22 SER CB C 22 62.480 62.480 63.040 -0.560 19259 1717 1 8 . 1 1 23 23 SER N N 23 114.105 114.105 113.261 0.844 19259 1718 1 8 . 1 1 23 23 SER HA H 23 4.628 4.628 4.617 0.011 19259 1719 1 8 . 1 1 23 23 SER C C 23 176.288 176.288 174.268 2.020 19259 1720 1 8 . 1 1 23 23 SER CA C 23 58.442 58.442 58.531 -0.089 19259 1721 1 8 . 1 1 23 23 SER CB C 23 65.782 65.782 65.910 -0.128 19259 1722 1 8 . 1 1 23 23 SER H H 23 7.884 7.884 7.667 0.217 19259 1723 1 8 . 1 1 24 24 GLY N N 24 113.237 113.237 110.949 2.288 19259 1724 1 8 . 1 1 24 24 GLY C C 24 173.669 173.669 173.211 0.458 19259 1725 1 8 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.121 1.027 19259 1726 1 8 . 1 1 24 24 GLY H H 24 8.434 8.434 8.132 0.302 19259 1727 1 8 . 1 1 25 25 ARG N N 25 120.269 120.269 120.173 0.096 19259 1728 1 8 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.805 -0.400 19259 1729 1 8 . 1 1 25 25 ARG C C 25 175.948 175.948 175.384 0.564 19259 1730 1 8 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.322 2.562 19259 1731 1 8 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.692 0.028 19259 1732 1 8 . 1 1 25 25 ARG H H 25 8.058 8.058 7.652 0.406 19259 1733 1 8 . 1 1 26 26 VAL N N 26 124.651 124.651 127.537 -2.886 19259 1734 1 8 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.647 0.095 19259 1735 1 8 . 1 1 26 26 VAL C C 26 175.406 175.406 175.828 -0.422 19259 1736 1 8 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.407 -1.241 19259 1737 1 8 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.165 0.951 19259 1738 1 8 . 1 1 26 26 VAL H H 26 8.508 8.508 8.789 -0.281 19259 1739 1 8 . 1 1 27 27 TYR N N 27 121.966 121.966 121.979 -0.013 19259 1740 1 8 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.390 0.492 19259 1741 1 8 . 1 1 27 27 TYR C C 27 170.726 170.726 172.207 -1.481 19259 1742 1 8 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.755 -0.300 19259 1743 1 8 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.765 0.923 19259 1744 1 8 . 1 1 27 27 TYR H H 27 8.664 8.664 8.779 -0.115 19259 1745 1 8 . 1 1 28 28 TYR N N 28 116.945 116.945 116.341 0.604 19259 1746 1 8 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.179 0.092 19259 1747 1 8 . 1 1 28 28 TYR C C 28 174.230 174.230 174.474 -0.244 19259 1748 1 8 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.855 1.351 19259 1749 1 8 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.573 -0.225 19259 1750 1 8 . 1 1 28 28 TYR H H 28 9.005 9.005 8.878 0.127 19259 1751 1 8 . 1 1 29 29 PHE N N 29 124.745 124.745 122.857 1.888 19259 1752 1 8 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.159 0.450 19259 1753 1 8 . 1 1 29 29 PHE C C 29 172.658 172.658 173.418 -0.760 19259 1754 1 8 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.435 -0.423 19259 1755 1 8 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.465 0.972 19259 1756 1 8 . 1 1 29 29 PHE H H 29 9.452 9.452 9.521 -0.069 19259 1757 1 8 . 1 1 30 30 ASN N N 30 128.963 128.963 126.427 2.536 19259 1758 1 8 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.455 -0.009 19259 1759 1 8 . 1 1 30 30 ASN C C 30 174.664 174.664 175.552 -0.888 19259 1760 1 8 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.729 -0.110 19259 1761 1 8 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.515 0.658 19259 1762 1 8 . 1 1 30 30 ASN H H 30 8.122 8.122 8.134 -0.012 19259 1763 1 8 . 1 1 31 31 HIS N N 31 121.463 121.463 124.828 -3.365 19259 1764 1 8 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.693 -0.575 19259 1765 1 8 . 1 1 31 31 HIS C C 31 176.235 176.235 176.245 -0.010 19259 1766 1 8 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.783 0.076 19259 1767 1 8 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.733 0.738 19259 1768 1 8 . 1 1 31 31 HIS H H 31 8.207 8.207 8.970 -0.763 19259 1769 1 8 . 1 1 32 32 ILE N N 32 121.544 121.544 119.593 1.951 19259 1770 1 8 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.725 0.136 19259 1771 1 8 . 1 1 32 32 ILE C C 32 178.224 178.224 177.201 1.023 19259 1772 1 8 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.760 -0.349 19259 1773 1 8 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.211 -1.013 19259 1774 1 8 . 1 1 32 32 ILE H H 32 8.264 8.264 7.665 0.599 19259 1775 1 8 . 1 1 33 33 THR N N 33 107.975 107.975 111.940 -3.965 19259 1776 1 8 . 1 1 33 33 THR HA H 33 4.119 4.119 4.282 -0.163 19259 1777 1 8 . 1 1 33 33 THR C C 33 176.113 176.113 174.624 1.489 19259 1778 1 8 . 1 1 33 33 THR CA C 33 61.307 61.307 61.249 0.058 19259 1779 1 8 . 1 1 33 33 THR CB C 33 70.083 70.083 69.801 0.282 19259 1780 1 8 . 1 1 33 33 THR H H 33 7.434 7.434 7.359 0.075 19259 1781 1 8 . 1 1 34 34 ASN N N 34 118.294 118.294 116.602 1.692 19259 1782 1 8 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.101 0.021 19259 1783 1 8 . 1 1 34 34 ASN C C 34 173.358 173.358 173.849 -0.491 19259 1784 1 8 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.758 1.290 19259 1785 1 8 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.097 0.503 19259 1786 1 8 . 1 1 34 34 ASN H H 34 8.094 8.094 8.083 0.011 19259 1787 1 8 . 1 1 35 35 ALA N N 35 121.778 121.778 121.296 0.482 19259 1788 1 8 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.399 0.054 19259 1789 1 8 . 1 1 35 35 ALA C C 35 175.421 175.421 175.517 -0.096 19259 1790 1 8 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.684 0.373 19259 1791 1 8 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.222 0.652 19259 1792 1 8 . 1 1 35 35 ALA H H 35 7.132 7.132 7.153 -0.021 19259 1793 1 8 . 1 1 36 36 SER N N 36 112.243 112.243 111.614 0.629 19259 1794 1 8 . 1 1 36 36 SER HA H 36 6.027 6.027 5.089 0.938 19259 1795 1 8 . 1 1 36 36 SER C C 36 174.068 174.068 173.572 0.496 19259 1796 1 8 . 1 1 36 36 SER CA C 36 56.932 56.932 57.786 -0.854 19259 1797 1 8 . 1 1 36 36 SER CB C 36 66.691 66.691 65.964 0.727 19259 1798 1 8 . 1 1 36 36 SER H H 36 8.293 8.293 8.225 0.068 19259 1799 1 8 . 1 1 37 37 GLN N N 37 116.909 116.909 119.442 -2.533 19259 1800 1 8 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.705 0.157 19259 1801 1 8 . 1 1 37 37 GLN C C 37 174.646 174.646 174.221 0.425 19259 1802 1 8 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.566 -0.788 19259 1803 1 8 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.653 -0.601 19259 1804 1 8 . 1 1 37 37 GLN H H 37 9.371 9.371 9.161 0.210 19259 1805 1 8 . 1 1 38 38 TRP N N 38 120.433 120.433 120.226 0.207 19259 1806 1 8 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.774 0.211 19259 1807 1 8 . 1 1 38 38 TRP C C 38 177.071 177.071 177.223 -0.152 19259 1808 1 8 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.627 1.191 19259 1809 1 8 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.695 -0.071 19259 1810 1 8 . 1 1 38 38 TRP H H 38 8.547 8.547 9.051 -0.504 19259 1811 1 8 . 1 1 39 39 GLU N N 39 117.074 117.074 120.685 -3.611 19259 1812 1 8 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.573 -0.122 19259 1813 1 8 . 1 1 39 39 GLU C C 39 175.702 175.702 176.270 -0.568 19259 1814 1 8 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.000 -0.208 19259 1815 1 8 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.549 -0.218 19259 1816 1 8 . 1 1 39 39 GLU H H 39 8.065 8.065 8.320 -0.255 19259 1817 1 8 . 1 1 40 40 ARG N N 40 125.177 125.177 122.338 2.839 19259 1818 1 8 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.808 -1.144 19259 1819 1 8 . 1 1 40 40 ARG C C 40 174.604 174.604 174.577 0.027 19259 1820 1 8 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.218 -1.003 19259 1821 1 8 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.205 0.858 19259 1822 1 8 . 1 1 40 40 ARG H H 40 8.549 8.549 8.635 -0.086 19259 1823 1 8 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.027 -0.096 19259 1824 1 8 . 1 1 41 41 PRO C C 41 175.431 175.431 175.725 -0.294 19259 1825 1 8 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.727 0.242 19259 1826 1 8 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.246 0.116 19259 1827 1 8 . 1 1 42 42 SER N N 42 115.527 115.527 115.870 -0.343 19259 1828 1 8 . 1 1 42 42 SER HA H 42 4.321 4.321 4.438 -0.117 19259 1829 1 8 . 1 1 42 42 SER C C 42 173.826 173.826 174.410 -0.584 19259 1830 1 8 . 1 1 42 42 SER CA C 42 57.886 57.886 58.349 -0.463 19259 1831 1 8 . 1 1 42 42 SER CB C 42 64.524 64.524 62.919 1.605 19259 1832 1 8 . 1 1 42 42 SER H H 42 8.201 8.201 8.040 0.161 19259 1833 1 9 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.907 -0.544 19259 1834 1 9 . 1 1 2 2 LEU C C 2 177.746 177.746 175.584 2.162 19259 1835 1 9 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.540 0.063 19259 1836 1 9 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.699 -0.408 19259 1837 1 9 . 1 1 3 3 GLU N N 3 121.500 121.500 124.506 -3.006 19259 1838 1 9 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.494 -0.248 19259 1839 1 9 . 1 1 3 3 GLU C C 3 176.318 176.318 175.165 1.153 19259 1840 1 9 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.148 0.994 19259 1841 1 9 . 1 1 3 3 GLU CB C 3 29.710 29.710 31.742 -2.032 19259 1842 1 9 . 1 1 3 3 GLU H H 3 8.898 8.898 8.474 0.424 19259 1843 1 9 . 1 1 4 4 HIS N N 4 120.262 120.262 118.540 1.722 19259 1844 1 9 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.712 -0.080 19259 1845 1 9 . 1 1 4 4 HIS C C 4 175.449 175.449 174.111 1.338 19259 1846 1 9 . 1 1 4 4 HIS CA C 4 56.614 56.614 56.490 0.124 19259 1847 1 9 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.778 0.082 19259 1848 1 9 . 1 1 4 4 HIS H H 4 8.307 8.307 8.655 -0.348 19259 1849 1 9 . 1 1 5 5 MET N N 5 122.219 122.219 119.251 2.968 19259 1850 1 9 . 1 1 5 5 MET HA H 5 4.473 4.473 4.676 -0.203 19259 1851 1 9 . 1 1 5 5 MET C C 5 175.854 175.854 175.363 0.491 19259 1852 1 9 . 1 1 5 5 MET CA C 5 55.366 55.366 54.790 0.576 19259 1853 1 9 . 1 1 5 5 MET CB C 5 32.921 32.921 33.271 -0.350 19259 1854 1 9 . 1 1 5 5 MET H H 5 8.241 8.241 7.735 0.506 19259 1855 1 9 . 1 1 6 6 ALA N N 6 125.321 125.321 127.460 -2.139 19259 1856 1 9 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.382 -0.064 19259 1857 1 9 . 1 1 6 6 ALA C C 6 177.612 177.612 177.249 0.363 19259 1858 1 9 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.959 0.736 19259 1859 1 9 . 1 1 6 6 ALA CB C 6 19.305 19.305 18.067 1.238 19259 1860 1 9 . 1 1 6 6 ALA H H 6 8.388 8.388 8.604 -0.216 19259 1861 1 9 . 1 1 7 7 ASP N N 7 119.856 119.856 122.885 -3.029 19259 1862 1 9 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.566 0.032 19259 1863 1 9 . 1 1 7 7 ASP C C 7 176.539 176.539 177.603 -1.064 19259 1864 1 9 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.541 -1.960 19259 1865 1 9 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.617 -0.389 19259 1866 1 9 . 1 1 7 7 ASP H H 7 8.389 8.389 8.347 0.042 19259 1867 1 9 . 1 1 8 8 GLU N N 8 121.214 121.214 118.262 2.952 19259 1868 1 9 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.190 0.093 19259 1869 1 9 . 1 1 8 8 GLU C C 8 176.568 176.568 176.591 -0.023 19259 1870 1 9 . 1 1 8 8 GLU CA C 8 56.778 56.778 57.548 -0.770 19259 1871 1 9 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.893 1.482 19259 1872 1 9 . 1 1 8 8 GLU H H 8 8.418 8.418 8.482 -0.064 19259 1873 1 9 . 1 1 9 9 GLU N N 9 122.013 122.013 118.428 3.585 19259 1874 1 9 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.322 -0.059 19259 1875 1 9 . 1 1 9 9 GLU C C 9 176.229 176.229 176.007 0.222 19259 1876 1 9 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.297 0.179 19259 1877 1 9 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.879 0.519 19259 1878 1 9 . 1 1 9 9 GLU H H 9 8.432 8.432 7.896 0.536 19259 1879 1 9 . 1 1 10 10 LYS N N 10 123.906 123.906 121.331 2.575 19259 1880 1 9 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.269 0.053 19259 1881 1 9 . 1 1 10 10 LYS C C 10 176.291 176.291 176.497 -0.206 19259 1882 1 9 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.817 0.578 19259 1883 1 9 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.005 0.628 19259 1884 1 9 . 1 1 10 10 LYS H H 10 8.355 8.355 7.463 0.892 19259 1885 1 9 . 1 1 11 11 LEU N N 11 125.459 125.459 127.055 -1.596 19259 1886 1 9 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.163 0.539 19259 1887 1 9 . 1 1 11 11 LEU C C 11 174.150 174.150 175.929 -1.779 19259 1888 1 9 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.162 -0.504 19259 1889 1 9 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.730 1.720 19259 1890 1 9 . 1 1 11 11 LEU H H 11 8.640 8.640 8.439 0.201 19259 1891 1 9 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.663 0.221 19259 1892 1 9 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.275 0.271 19259 1893 1 9 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.880 -1.016 19259 1894 1 9 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.318 0.070 19259 1895 1 9 . 1 1 13 13 PRO C C 13 177.111 177.111 177.567 -0.456 19259 1896 1 9 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.166 0.229 19259 1897 1 9 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.218 0.799 19259 1898 1 9 . 1 1 14 14 GLY N N 14 111.924 111.924 111.435 0.489 19259 1899 1 9 . 1 1 14 14 GLY C C 14 172.870 172.870 173.749 -0.879 19259 1900 1 9 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.613 0.390 19259 1901 1 9 . 1 1 14 14 GLY H H 14 8.807 8.807 8.796 0.011 19259 1902 1 9 . 1 1 15 15 TRP N N 15 117.136 117.136 121.066 -3.930 19259 1903 1 9 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.222 0.104 19259 1904 1 9 . 1 1 15 15 TRP C C 15 176.588 176.588 176.045 0.543 19259 1905 1 9 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.345 -0.154 19259 1906 1 9 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.831 1.768 19259 1907 1 9 . 1 1 15 15 TRP H H 15 7.409 7.409 7.978 -0.569 19259 1908 1 9 . 1 1 16 16 GLU N N 16 120.872 120.872 120.250 0.622 19259 1909 1 9 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.732 0.143 19259 1910 1 9 . 1 1 16 16 GLU C C 16 174.090 174.090 174.878 -0.788 19259 1911 1 9 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.909 -0.108 19259 1912 1 9 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.205 0.513 19259 1913 1 9 . 1 1 16 16 GLU H H 16 9.858 9.858 9.131 0.727 19259 1914 1 9 . 1 1 17 17 LYS N N 17 125.521 125.521 126.442 -0.921 19259 1915 1 9 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.777 -0.324 19259 1916 1 9 . 1 1 17 17 LYS C C 17 175.474 175.474 176.089 -0.615 19259 1917 1 9 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.425 -0.184 19259 1918 1 9 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.362 0.615 19259 1919 1 9 . 1 1 17 17 LYS H H 17 8.980 8.980 8.760 0.220 19259 1920 1 9 . 1 1 18 18 ARG N N 18 127.083 127.083 125.454 1.629 19259 1921 1 9 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.535 -0.082 19259 1922 1 9 . 1 1 18 18 ARG C C 18 173.135 173.135 173.582 -0.447 19259 1923 1 9 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.727 0.885 19259 1924 1 9 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.427 1.201 19259 1925 1 9 . 1 1 18 18 ARG H H 18 8.829 8.829 8.398 0.431 19259 1926 1 9 . 1 1 19 19 MET N N 19 117.317 117.317 119.372 -2.055 19259 1927 1 9 . 1 1 19 19 MET HA H 19 5.027 5.027 5.061 -0.034 19259 1928 1 9 . 1 1 19 19 MET C C 19 176.132 176.132 174.804 1.328 19259 1929 1 9 . 1 1 19 19 MET CA C 19 54.195 54.195 54.465 -0.270 19259 1930 1 9 . 1 1 19 19 MET CB C 19 35.215 35.215 36.166 -0.951 19259 1931 1 9 . 1 1 19 19 MET H H 19 8.131 8.131 8.365 -0.234 19259 1932 1 9 . 1 1 20 20 GLU N N 20 129.506 129.506 125.675 3.831 19259 1933 1 9 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.363 0.226 19259 1934 1 9 . 1 1 20 20 GLU C C 20 176.857 176.857 177.157 -0.300 19259 1935 1 9 . 1 1 20 20 GLU CA C 20 56.589 56.589 57.152 -0.563 19259 1936 1 9 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.685 -0.526 19259 1937 1 9 . 1 1 20 20 GLU H H 20 9.531 9.531 8.838 0.693 19259 1938 1 9 . 1 1 21 21 ARG N N 21 129.016 129.016 126.665 2.351 19259 1939 1 9 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.144 -0.151 19259 1940 1 9 . 1 1 21 21 ARG CA C 21 59.608 59.608 57.745 1.863 19259 1941 1 9 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.054 0.038 19259 1942 1 9 . 1 1 21 21 ARG H H 21 8.991 8.991 8.751 0.240 19259 1943 1 9 . 1 1 22 22 SER HA H 22 4.244 4.244 4.262 -0.018 19259 1944 1 9 . 1 1 22 22 SER CA C 22 61.081 61.081 60.863 0.218 19259 1945 1 9 . 1 1 22 22 SER CB C 22 62.480 62.480 63.539 -1.059 19259 1946 1 9 . 1 1 23 23 SER N N 23 114.105 114.105 112.484 1.621 19259 1947 1 9 . 1 1 23 23 SER HA H 23 4.628 4.628 4.604 0.024 19259 1948 1 9 . 1 1 23 23 SER C C 23 176.288 176.288 174.398 1.890 19259 1949 1 9 . 1 1 23 23 SER CA C 23 58.442 58.442 58.879 -0.437 19259 1950 1 9 . 1 1 23 23 SER CB C 23 65.782 65.782 66.172 -0.390 19259 1951 1 9 . 1 1 23 23 SER H H 23 7.884 7.884 7.926 -0.042 19259 1952 1 9 . 1 1 24 24 GLY N N 24 113.237 113.237 110.795 2.442 19259 1953 1 9 . 1 1 24 24 GLY C C 24 173.669 173.669 172.848 0.821 19259 1954 1 9 . 1 1 24 24 GLY CA C 24 46.148 46.148 44.958 1.190 19259 1955 1 9 . 1 1 24 24 GLY H H 24 8.434 8.434 7.900 0.534 19259 1956 1 9 . 1 1 25 25 ARG N N 25 120.269 120.269 120.065 0.204 19259 1957 1 9 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.813 -0.408 19259 1958 1 9 . 1 1 25 25 ARG C C 25 175.948 175.948 175.443 0.505 19259 1959 1 9 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.593 2.292 19259 1960 1 9 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.620 0.100 19259 1961 1 9 . 1 1 25 25 ARG H H 25 8.058 8.058 7.862 0.196 19259 1962 1 9 . 1 1 26 26 VAL N N 26 124.651 124.651 127.652 -3.001 19259 1963 1 9 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.647 0.095 19259 1964 1 9 . 1 1 26 26 VAL C C 26 175.406 175.406 175.912 -0.506 19259 1965 1 9 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.409 -1.243 19259 1966 1 9 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.349 0.767 19259 1967 1 9 . 1 1 26 26 VAL H H 26 8.508 8.508 8.788 -0.280 19259 1968 1 9 . 1 1 27 27 TYR N N 27 121.966 121.966 121.045 0.921 19259 1969 1 9 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.449 0.433 19259 1970 1 9 . 1 1 27 27 TYR C C 27 170.726 170.726 172.286 -1.560 19259 1971 1 9 . 1 1 27 27 TYR CA C 27 55.455 55.455 56.074 -0.619 19259 1972 1 9 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.708 0.980 19259 1973 1 9 . 1 1 27 27 TYR H H 27 8.664 8.664 8.559 0.105 19259 1974 1 9 . 1 1 28 28 TYR N N 28 116.945 116.945 116.659 0.286 19259 1975 1 9 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.177 0.094 19259 1976 1 9 . 1 1 28 28 TYR C C 28 174.230 174.230 174.535 -0.305 19259 1977 1 9 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.922 1.284 19259 1978 1 9 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.084 0.264 19259 1979 1 9 . 1 1 28 28 TYR H H 28 9.005 9.005 8.884 0.121 19259 1980 1 9 . 1 1 29 29 PHE N N 29 124.745 124.745 123.087 1.658 19259 1981 1 9 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.204 0.405 19259 1982 1 9 . 1 1 29 29 PHE C C 29 172.658 172.658 173.376 -0.718 19259 1983 1 9 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.324 -0.312 19259 1984 1 9 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.545 0.892 19259 1985 1 9 . 1 1 29 29 PHE H H 29 9.452 9.452 9.600 -0.147 19259 1986 1 9 . 1 1 30 30 ASN N N 30 128.963 128.963 125.888 3.075 19259 1987 1 9 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.540 -0.094 19259 1988 1 9 . 1 1 30 30 ASN C C 30 174.664 174.664 175.593 -0.929 19259 1989 1 9 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.677 -0.058 19259 1990 1 9 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.991 0.182 19259 1991 1 9 . 1 1 30 30 ASN H H 30 8.122 8.122 7.981 0.141 19259 1992 1 9 . 1 1 31 31 HIS N N 31 121.463 121.463 125.362 -3.899 19259 1993 1 9 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.716 -0.598 19259 1994 1 9 . 1 1 31 31 HIS C C 31 176.235 176.235 176.283 -0.048 19259 1995 1 9 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.717 0.142 19259 1996 1 9 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.887 0.584 19259 1997 1 9 . 1 1 31 31 HIS H H 31 8.207 8.207 9.055 -0.848 19259 1998 1 9 . 1 1 32 32 ILE N N 32 121.544 121.544 120.203 1.341 19259 1999 1 9 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.741 0.120 19259 2000 1 9 . 1 1 32 32 ILE C C 32 178.224 178.224 177.403 0.821 19259 2001 1 9 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.978 -0.567 19259 2002 1 9 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.258 -1.060 19259 2003 1 9 . 1 1 32 32 ILE H H 32 8.264 8.264 8.023 0.241 19259 2004 1 9 . 1 1 33 33 THR N N 33 107.975 107.975 111.388 -3.413 19259 2005 1 9 . 1 1 33 33 THR HA H 33 4.119 4.119 4.267 -0.148 19259 2006 1 9 . 1 1 33 33 THR C C 33 176.113 176.113 174.478 1.635 19259 2007 1 9 . 1 1 33 33 THR CA C 33 61.307 61.307 61.241 0.066 19259 2008 1 9 . 1 1 33 33 THR CB C 33 70.083 70.083 69.023 1.060 19259 2009 1 9 . 1 1 33 33 THR H H 33 7.434 7.434 7.355 0.079 19259 2010 1 9 . 1 1 34 34 ASN N N 34 118.294 118.294 117.046 1.248 19259 2011 1 9 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.000 0.122 19259 2012 1 9 . 1 1 34 34 ASN C C 34 173.358 173.358 173.783 -0.425 19259 2013 1 9 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.671 1.377 19259 2014 1 9 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.652 -0.052 19259 2015 1 9 . 1 1 34 34 ASN H H 34 8.094 8.094 7.934 0.160 19259 2016 1 9 . 1 1 35 35 ALA N N 35 121.778 121.778 120.582 1.196 19259 2017 1 9 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.393 0.060 19259 2018 1 9 . 1 1 35 35 ALA C C 35 175.421 175.421 175.366 0.055 19259 2019 1 9 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.373 0.684 19259 2020 1 9 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.637 0.237 19259 2021 1 9 . 1 1 35 35 ALA H H 35 7.132 7.132 7.141 -0.009 19259 2022 1 9 . 1 1 36 36 SER N N 36 112.243 112.243 111.958 0.285 19259 2023 1 9 . 1 1 36 36 SER HA H 36 6.027 6.027 5.129 0.898 19259 2024 1 9 . 1 1 36 36 SER C C 36 174.068 174.068 173.504 0.564 19259 2025 1 9 . 1 1 36 36 SER CA C 36 56.932 56.932 57.835 -0.903 19259 2026 1 9 . 1 1 36 36 SER CB C 36 66.691 66.691 65.695 0.996 19259 2027 1 9 . 1 1 36 36 SER H H 36 8.293 8.293 8.205 0.088 19259 2028 1 9 . 1 1 37 37 GLN N N 37 116.909 116.909 120.664 -3.755 19259 2029 1 9 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.634 0.228 19259 2030 1 9 . 1 1 37 37 GLN C C 37 174.646 174.646 174.405 0.241 19259 2031 1 9 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.287 -0.509 19259 2032 1 9 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.820 -0.768 19259 2033 1 9 . 1 1 37 37 GLN H H 37 9.371 9.371 9.281 0.090 19259 2034 1 9 . 1 1 38 38 TRP N N 38 120.433 120.433 119.927 0.506 19259 2035 1 9 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.694 0.291 19259 2036 1 9 . 1 1 38 38 TRP C C 38 177.071 177.071 176.306 0.765 19259 2037 1 9 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.865 0.953 19259 2038 1 9 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.362 0.262 19259 2039 1 9 . 1 1 38 38 TRP H H 38 8.547 8.547 8.918 -0.371 19259 2040 1 9 . 1 1 39 39 GLU N N 39 117.074 117.074 119.816 -2.742 19259 2041 1 9 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.490 -0.039 19259 2042 1 9 . 1 1 39 39 GLU C C 39 175.702 175.702 176.705 -1.003 19259 2043 1 9 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.684 0.108 19259 2044 1 9 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.192 0.139 19259 2045 1 9 . 1 1 39 39 GLU H H 39 8.065 8.065 8.258 -0.193 19259 2046 1 9 . 1 1 40 40 ARG N N 40 125.177 125.177 124.743 0.434 19259 2047 1 9 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.722 -1.058 19259 2048 1 9 . 1 1 40 40 ARG C C 40 174.604 174.604 174.720 -0.116 19259 2049 1 9 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.520 -1.305 19259 2050 1 9 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.262 0.801 19259 2051 1 9 . 1 1 40 40 ARG H H 40 8.549 8.549 8.544 0.005 19259 2052 1 9 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.127 -0.196 19259 2053 1 9 . 1 1 41 41 PRO C C 41 175.431 175.431 175.581 -0.150 19259 2054 1 9 . 1 1 41 41 PRO CA C 41 61.969 61.969 62.034 -0.065 19259 2055 1 9 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.264 0.098 19259 2056 1 9 . 1 1 42 42 SER N N 42 115.527 115.527 113.305 2.222 19259 2057 1 9 . 1 1 42 42 SER HA H 42 4.321 4.321 4.465 -0.144 19259 2058 1 9 . 1 1 42 42 SER C C 42 173.826 173.826 173.878 -0.052 19259 2059 1 9 . 1 1 42 42 SER CA C 42 57.886 57.886 57.958 -0.072 19259 2060 1 9 . 1 1 42 42 SER CB C 42 64.524 64.524 65.313 -0.789 19259 2061 1 9 . 1 1 42 42 SER H H 42 8.201 8.201 8.036 0.165 19259 2062 1 10 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.677 -0.314 19259 2063 1 10 . 1 1 2 2 LEU C C 2 177.746 177.746 176.735 1.011 19259 2064 1 10 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.095 0.508 19259 2065 1 10 . 1 1 2 2 LEU CB C 2 42.291 42.291 43.946 -1.655 19259 2066 1 10 . 1 1 3 3 GLU N N 3 121.500 121.500 120.713 0.787 19259 2067 1 10 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.095 0.151 19259 2068 1 10 . 1 1 3 3 GLU C C 3 176.318 176.318 175.615 0.703 19259 2069 1 10 . 1 1 3 3 GLU CA C 3 57.142 57.142 57.249 -0.107 19259 2070 1 10 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.490 0.220 19259 2071 1 10 . 1 1 3 3 GLU H H 3 8.898 8.898 8.573 0.325 19259 2072 1 10 . 1 1 4 4 HIS N N 4 120.262 120.262 117.895 2.367 19259 2073 1 10 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.467 0.165 19259 2074 1 10 . 1 1 4 4 HIS C C 4 175.449 175.449 174.412 1.037 19259 2075 1 10 . 1 1 4 4 HIS CA C 4 56.614 56.614 57.245 -0.631 19259 2076 1 10 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.571 0.289 19259 2077 1 10 . 1 1 4 4 HIS H H 4 8.307 8.307 8.087 0.220 19259 2078 1 10 . 1 1 5 5 MET N N 5 122.219 122.219 115.825 6.394 19259 2079 1 10 . 1 1 5 5 MET HA H 5 4.473 4.473 4.646 -0.173 19259 2080 1 10 . 1 1 5 5 MET C C 5 175.854 175.854 173.557 2.297 19259 2081 1 10 . 1 1 5 5 MET CA C 5 55.366 55.366 54.823 0.543 19259 2082 1 10 . 1 1 5 5 MET CB C 5 32.921 32.921 34.456 -1.535 19259 2083 1 10 . 1 1 5 5 MET H H 5 8.241 8.241 7.134 1.107 19259 2084 1 10 . 1 1 6 6 ALA N N 6 125.321 125.321 121.627 3.694 19259 2085 1 10 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.619 -0.301 19259 2086 1 10 . 1 1 6 6 ALA C C 6 177.612 177.612 176.797 0.815 19259 2087 1 10 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.765 0.930 19259 2088 1 10 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.592 -2.287 19259 2089 1 10 . 1 1 6 6 ALA H H 6 8.388 8.388 8.252 0.136 19259 2090 1 10 . 1 1 7 7 ASP N N 7 119.856 119.856 120.277 -0.421 19259 2091 1 10 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.361 0.237 19259 2092 1 10 . 1 1 7 7 ASP C C 7 176.539 176.539 177.840 -1.301 19259 2093 1 10 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.679 -2.097 19259 2094 1 10 . 1 1 7 7 ASP CB C 7 41.228 41.228 40.876 0.352 19259 2095 1 10 . 1 1 7 7 ASP H H 7 8.389 8.389 8.832 -0.443 19259 2096 1 10 . 1 1 8 8 GLU N N 8 121.214 121.214 119.313 1.901 19259 2097 1 10 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.018 0.265 19259 2098 1 10 . 1 1 8 8 GLU C C 8 176.568 176.568 177.562 -0.994 19259 2099 1 10 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.498 -1.720 19259 2100 1 10 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.303 1.072 19259 2101 1 10 . 1 1 8 8 GLU H H 8 8.418 8.418 8.441 -0.023 19259 2102 1 10 . 1 1 9 9 GLU N N 9 122.013 122.013 116.714 5.299 19259 2103 1 10 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.164 0.099 19259 2104 1 10 . 1 1 9 9 GLU C C 9 176.229 176.229 176.793 -0.564 19259 2105 1 10 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.724 -0.248 19259 2106 1 10 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.461 0.937 19259 2107 1 10 . 1 1 9 9 GLU H H 9 8.432 8.432 7.515 0.917 19259 2108 1 10 . 1 1 10 10 LYS N N 10 123.906 123.906 120.943 2.963 19259 2109 1 10 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.283 0.039 19259 2110 1 10 . 1 1 10 10 LYS C C 10 176.291 176.291 176.328 -0.037 19259 2111 1 10 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.940 1.455 19259 2112 1 10 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.144 1.489 19259 2113 1 10 . 1 1 10 10 LYS H H 10 8.355 8.355 7.604 0.751 19259 2114 1 10 . 1 1 11 11 LEU N N 11 125.459 125.459 126.124 -0.665 19259 2115 1 10 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.066 0.636 19259 2116 1 10 . 1 1 11 11 LEU C C 11 174.150 174.150 175.931 -1.781 19259 2117 1 10 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.496 -0.838 19259 2118 1 10 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.419 2.031 19259 2119 1 10 . 1 1 11 11 LEU H H 11 8.640 8.640 7.799 0.841 19259 2120 1 10 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.631 0.253 19259 2121 1 10 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.348 0.198 19259 2122 1 10 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.930 -1.066 19259 2123 1 10 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.271 0.117 19259 2124 1 10 . 1 1 13 13 PRO C C 13 177.111 177.111 177.415 -0.304 19259 2125 1 10 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.105 0.290 19259 2126 1 10 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.343 0.674 19259 2127 1 10 . 1 1 14 14 GLY N N 14 111.924 111.924 110.512 1.412 19259 2128 1 10 . 1 1 14 14 GLY C C 14 172.870 172.870 173.647 -0.777 19259 2129 1 10 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.501 0.502 19259 2130 1 10 . 1 1 14 14 GLY H H 14 8.807 8.807 8.690 0.117 19259 2131 1 10 . 1 1 15 15 TRP N N 15 117.136 117.136 121.373 -4.237 19259 2132 1 10 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.286 0.040 19259 2133 1 10 . 1 1 15 15 TRP C C 15 176.588 176.588 176.526 0.062 19259 2134 1 10 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.134 0.057 19259 2135 1 10 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.581 2.018 19259 2136 1 10 . 1 1 15 15 TRP H H 15 7.409 7.409 7.840 -0.431 19259 2137 1 10 . 1 1 16 16 GLU N N 16 120.872 120.872 122.186 -1.314 19259 2138 1 10 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.812 0.063 19259 2139 1 10 . 1 1 16 16 GLU C C 16 174.090 174.090 175.138 -1.048 19259 2140 1 10 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.066 -0.265 19259 2141 1 10 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.294 0.424 19259 2142 1 10 . 1 1 16 16 GLU H H 16 9.858 9.858 9.224 0.634 19259 2143 1 10 . 1 1 17 17 LYS N N 17 125.521 125.521 126.531 -1.010 19259 2144 1 10 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.748 -0.295 19259 2145 1 10 . 1 1 17 17 LYS C C 17 175.474 175.474 176.213 -0.739 19259 2146 1 10 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.934 -0.693 19259 2147 1 10 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.252 0.725 19259 2148 1 10 . 1 1 17 17 LYS H H 17 8.980 8.980 8.790 0.190 19259 2149 1 10 . 1 1 18 18 ARG N N 18 127.083 127.083 125.163 1.920 19259 2150 1 10 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.615 -0.162 19259 2151 1 10 . 1 1 18 18 ARG C C 18 173.135 173.135 173.835 -0.700 19259 2152 1 10 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.400 1.212 19259 2153 1 10 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.642 0.985 19259 2154 1 10 . 1 1 18 18 ARG H H 18 8.829 8.829 8.799 0.030 19259 2155 1 10 . 1 1 19 19 MET N N 19 117.317 117.317 119.524 -2.207 19259 2156 1 10 . 1 1 19 19 MET HA H 19 5.027 5.027 5.114 -0.087 19259 2157 1 10 . 1 1 19 19 MET C C 19 176.132 176.132 174.809 1.323 19259 2158 1 10 . 1 1 19 19 MET CA C 19 54.195 54.195 54.477 -0.282 19259 2159 1 10 . 1 1 19 19 MET CB C 19 35.215 35.215 36.487 -1.272 19259 2160 1 10 . 1 1 19 19 MET H H 19 8.131 8.131 8.362 -0.231 19259 2161 1 10 . 1 1 20 20 GLU N N 20 129.506 129.506 124.919 4.587 19259 2162 1 10 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.578 0.011 19259 2163 1 10 . 1 1 20 20 GLU C C 20 176.857 176.857 177.105 -0.248 19259 2164 1 10 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.492 0.097 19259 2165 1 10 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.893 -0.734 19259 2166 1 10 . 1 1 20 20 GLU H H 20 9.531 9.531 9.045 0.486 19259 2167 1 10 . 1 1 21 21 ARG N N 21 129.016 129.016 127.148 1.868 19259 2168 1 10 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.224 -0.231 19259 2169 1 10 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.595 1.013 19259 2170 1 10 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.107 -0.015 19259 2171 1 10 . 1 1 21 21 ARG H H 21 8.991 8.991 8.906 0.085 19259 2172 1 10 . 1 1 22 22 SER HA H 22 4.244 4.244 4.359 -0.115 19259 2173 1 10 . 1 1 22 22 SER CA C 22 61.081 61.081 60.404 0.677 19259 2174 1 10 . 1 1 22 22 SER CB C 22 62.480 62.480 63.449 -0.969 19259 2175 1 10 . 1 1 23 23 SER N N 23 114.105 114.105 113.108 0.997 19259 2176 1 10 . 1 1 23 23 SER HA H 23 4.628 4.628 4.661 -0.033 19259 2177 1 10 . 1 1 23 23 SER C C 23 176.288 176.288 173.720 2.568 19259 2178 1 10 . 1 1 23 23 SER CA C 23 58.442 58.442 58.390 0.052 19259 2179 1 10 . 1 1 23 23 SER CB C 23 65.782 65.782 66.332 -0.550 19259 2180 1 10 . 1 1 23 23 SER H H 23 7.884 7.884 7.469 0.415 19259 2181 1 10 . 1 1 24 24 GLY N N 24 113.237 113.237 111.449 1.788 19259 2182 1 10 . 1 1 24 24 GLY C C 24 173.669 173.669 173.529 0.140 19259 2183 1 10 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.721 0.427 19259 2184 1 10 . 1 1 24 24 GLY H H 24 8.434 8.434 8.382 0.052 19259 2185 1 10 . 1 1 25 25 ARG N N 25 120.269 120.269 120.616 -0.347 19259 2186 1 10 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.804 -0.399 19259 2187 1 10 . 1 1 25 25 ARG C C 25 175.948 175.948 175.477 0.471 19259 2188 1 10 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.315 2.570 19259 2189 1 10 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.192 -0.472 19259 2190 1 10 . 1 1 25 25 ARG H H 25 8.058 8.058 7.721 0.337 19259 2191 1 10 . 1 1 26 26 VAL N N 26 124.651 124.651 128.180 -3.529 19259 2192 1 10 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.539 0.203 19259 2193 1 10 . 1 1 26 26 VAL C C 26 175.406 175.406 175.644 -0.238 19259 2194 1 10 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.565 -1.399 19259 2195 1 10 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.199 0.917 19259 2196 1 10 . 1 1 26 26 VAL H H 26 8.508 8.508 8.821 -0.313 19259 2197 1 10 . 1 1 27 27 TYR N N 27 121.966 121.966 121.766 0.200 19259 2198 1 10 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.585 0.297 19259 2199 1 10 . 1 1 27 27 TYR C C 27 170.726 170.726 172.244 -1.518 19259 2200 1 10 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.746 -0.291 19259 2201 1 10 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.234 0.454 19259 2202 1 10 . 1 1 27 27 TYR H H 27 8.664 8.664 8.521 0.143 19259 2203 1 10 . 1 1 28 28 TYR N N 28 116.945 116.945 116.928 0.017 19259 2204 1 10 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.304 -0.033 19259 2205 1 10 . 1 1 28 28 TYR C C 28 174.230 174.230 174.631 -0.401 19259 2206 1 10 . 1 1 28 28 TYR CA C 28 57.206 57.206 56.017 1.190 19259 2207 1 10 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.286 0.062 19259 2208 1 10 . 1 1 28 28 TYR H H 28 9.005 9.005 9.053 -0.048 19259 2209 1 10 . 1 1 29 29 PHE N N 29 124.745 124.745 123.148 1.597 19259 2210 1 10 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.195 0.414 19259 2211 1 10 . 1 1 29 29 PHE C C 29 172.658 172.658 173.464 -0.806 19259 2212 1 10 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.250 -0.238 19259 2213 1 10 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.424 1.013 19259 2214 1 10 . 1 1 29 29 PHE H H 29 9.452 9.452 9.590 -0.138 19259 2215 1 10 . 1 1 30 30 ASN N N 30 128.963 128.963 126.191 2.772 19259 2216 1 10 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.554 -0.108 19259 2217 1 10 . 1 1 30 30 ASN C C 30 174.664 174.664 175.880 -1.216 19259 2218 1 10 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.592 0.027 19259 2219 1 10 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.608 0.565 19259 2220 1 10 . 1 1 30 30 ASN H H 30 8.122 8.122 7.956 0.166 19259 2221 1 10 . 1 1 31 31 HIS N N 31 121.463 121.463 125.319 -3.856 19259 2222 1 10 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.775 -0.657 19259 2223 1 10 . 1 1 31 31 HIS C C 31 176.235 176.235 176.300 -0.065 19259 2224 1 10 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.880 -0.021 19259 2225 1 10 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.842 0.629 19259 2226 1 10 . 1 1 31 31 HIS H H 31 8.207 8.207 9.172 -0.965 19259 2227 1 10 . 1 1 32 32 ILE N N 32 121.544 121.544 120.733 0.811 19259 2228 1 10 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.783 0.078 19259 2229 1 10 . 1 1 32 32 ILE C C 32 178.224 178.224 177.415 0.809 19259 2230 1 10 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.888 -0.477 19259 2231 1 10 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.258 -1.060 19259 2232 1 10 . 1 1 32 32 ILE H H 32 8.264 8.264 8.142 0.122 19259 2233 1 10 . 1 1 33 33 THR N N 33 107.975 107.975 112.213 -4.238 19259 2234 1 10 . 1 1 33 33 THR HA H 33 4.119 4.119 4.250 -0.131 19259 2235 1 10 . 1 1 33 33 THR C C 33 176.113 176.113 174.284 1.829 19259 2236 1 10 . 1 1 33 33 THR CA C 33 61.307 61.307 61.018 0.289 19259 2237 1 10 . 1 1 33 33 THR CB C 33 70.083 70.083 69.366 0.717 19259 2238 1 10 . 1 1 33 33 THR H H 33 7.434 7.434 7.331 0.103 19259 2239 1 10 . 1 1 34 34 ASN N N 34 118.294 118.294 118.012 0.282 19259 2240 1 10 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.183 -0.061 19259 2241 1 10 . 1 1 34 34 ASN C C 34 173.358 173.358 173.430 -0.072 19259 2242 1 10 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.027 1.021 19259 2243 1 10 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.311 0.289 19259 2244 1 10 . 1 1 34 34 ASN H H 34 8.094 8.094 7.923 0.171 19259 2245 1 10 . 1 1 35 35 ALA N N 35 121.778 121.778 121.874 -0.096 19259 2246 1 10 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.472 -0.019 19259 2247 1 10 . 1 1 35 35 ALA C C 35 175.421 175.421 174.984 0.437 19259 2248 1 10 . 1 1 35 35 ALA CA C 35 52.057 52.057 50.864 1.193 19259 2249 1 10 . 1 1 35 35 ALA CB C 35 20.874 20.874 21.926 -1.052 19259 2250 1 10 . 1 1 35 35 ALA H H 35 7.132 7.132 7.535 -0.403 19259 2251 1 10 . 1 1 36 36 SER N N 36 112.243 112.243 113.300 -1.057 19259 2252 1 10 . 1 1 36 36 SER HA H 36 6.027 6.027 5.047 0.980 19259 2253 1 10 . 1 1 36 36 SER C C 36 174.068 174.068 173.371 0.697 19259 2254 1 10 . 1 1 36 36 SER CA C 36 56.932 56.932 58.058 -1.126 19259 2255 1 10 . 1 1 36 36 SER CB C 36 66.691 66.691 65.044 1.647 19259 2256 1 10 . 1 1 36 36 SER H H 36 8.293 8.293 8.216 0.077 19259 2257 1 10 . 1 1 37 37 GLN N N 37 116.909 116.909 122.351 -5.442 19259 2258 1 10 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.606 0.256 19259 2259 1 10 . 1 1 37 37 GLN C C 37 174.646 174.646 174.637 0.009 19259 2260 1 10 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.289 -0.511 19259 2261 1 10 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.502 -0.450 19259 2262 1 10 . 1 1 37 37 GLN H H 37 9.371 9.371 9.177 0.194 19259 2263 1 10 . 1 1 38 38 TRP N N 38 120.433 120.433 119.930 0.503 19259 2264 1 10 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.706 0.279 19259 2265 1 10 . 1 1 38 38 TRP C C 38 177.071 177.071 176.951 0.120 19259 2266 1 10 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.882 0.936 19259 2267 1 10 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.190 0.434 19259 2268 1 10 . 1 1 38 38 TRP H H 38 8.547 8.547 8.909 -0.362 19259 2269 1 10 . 1 1 39 39 GLU N N 39 117.074 117.074 119.461 -2.387 19259 2270 1 10 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.486 -0.035 19259 2271 1 10 . 1 1 39 39 GLU C C 39 175.702 175.702 176.478 -0.776 19259 2272 1 10 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.201 -0.409 19259 2273 1 10 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.266 0.065 19259 2274 1 10 . 1 1 39 39 GLU H H 39 8.065 8.065 8.275 -0.210 19259 2275 1 10 . 1 1 40 40 ARG N N 40 125.177 125.177 123.365 1.812 19259 2276 1 10 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.918 -1.254 19259 2277 1 10 . 1 1 40 40 ARG C C 40 174.604 174.604 174.868 -0.264 19259 2278 1 10 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.620 -1.405 19259 2279 1 10 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.442 0.621 19259 2280 1 10 . 1 1 40 40 ARG H H 40 8.549 8.549 8.558 -0.009 19259 2281 1 10 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.065 -0.134 19259 2282 1 10 . 1 1 41 41 PRO C C 41 175.431 175.431 175.403 0.028 19259 2283 1 10 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.725 0.244 19259 2284 1 10 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.129 0.233 19259 2285 1 10 . 1 1 42 42 SER N N 42 115.527 115.527 112.767 2.760 19259 2286 1 10 . 1 1 42 42 SER HA H 42 4.321 4.321 4.445 -0.124 19259 2287 1 10 . 1 1 42 42 SER C C 42 173.826 173.826 175.040 -1.214 19259 2288 1 10 . 1 1 42 42 SER CA C 42 57.886 57.886 57.247 0.639 19259 2289 1 10 . 1 1 42 42 SER CB C 42 64.524 64.524 64.160 0.364 19259 2290 1 10 . 1 1 42 42 SER H H 42 8.201 8.201 7.898 0.303 19259 2291 1 11 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.663 -0.300 19259 2292 1 11 . 1 1 2 2 LEU C C 2 177.746 177.746 176.608 1.138 19259 2293 1 11 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.624 0.979 19259 2294 1 11 . 1 1 2 2 LEU CB C 2 42.291 42.291 41.274 1.017 19259 2295 1 11 . 1 1 3 3 GLU N N 3 121.500 121.500 123.144 -1.644 19259 2296 1 11 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.273 -0.027 19259 2297 1 11 . 1 1 3 3 GLU C C 3 176.318 176.318 175.987 0.331 19259 2298 1 11 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.717 0.425 19259 2299 1 11 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.489 -0.779 19259 2300 1 11 . 1 1 3 3 GLU H H 3 8.898 8.898 8.622 0.276 19259 2301 1 11 . 1 1 4 4 HIS N N 4 120.262 120.262 121.602 -1.340 19259 2302 1 11 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.860 -0.228 19259 2303 1 11 . 1 1 4 4 HIS C C 4 175.449 175.449 173.802 1.647 19259 2304 1 11 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.932 0.682 19259 2305 1 11 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.299 1.561 19259 2306 1 11 . 1 1 4 4 HIS H H 4 8.307 8.307 8.649 -0.342 19259 2307 1 11 . 1 1 5 5 MET N N 5 122.219 122.219 122.475 -0.256 19259 2308 1 11 . 1 1 5 5 MET HA H 5 4.473 4.473 4.489 -0.016 19259 2309 1 11 . 1 1 5 5 MET C C 5 175.854 175.854 174.220 1.634 19259 2310 1 11 . 1 1 5 5 MET CA C 5 55.366 55.366 54.996 0.370 19259 2311 1 11 . 1 1 5 5 MET CB C 5 32.921 32.921 33.943 -1.022 19259 2312 1 11 . 1 1 5 5 MET H H 5 8.241 8.241 8.098 0.143 19259 2313 1 11 . 1 1 6 6 ALA N N 6 125.321 125.321 127.700 -2.379 19259 2314 1 11 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.661 -0.343 19259 2315 1 11 . 1 1 6 6 ALA C C 6 177.612 177.612 175.314 2.298 19259 2316 1 11 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.671 1.024 19259 2317 1 11 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.931 -2.626 19259 2318 1 11 . 1 1 6 6 ALA H H 6 8.388 8.388 8.175 0.213 19259 2319 1 11 . 1 1 7 7 ASP N N 7 119.856 119.856 119.278 0.578 19259 2320 1 11 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.540 0.058 19259 2321 1 11 . 1 1 7 7 ASP C C 7 176.539 176.539 176.905 -0.366 19259 2322 1 11 . 1 1 7 7 ASP CA C 7 54.582 54.582 54.943 -0.361 19259 2323 1 11 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.472 -0.244 19259 2324 1 11 . 1 1 7 7 ASP H H 7 8.389 8.389 8.780 -0.391 19259 2325 1 11 . 1 1 8 8 GLU N N 8 121.214 121.214 119.043 2.171 19259 2326 1 11 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.081 0.202 19259 2327 1 11 . 1 1 8 8 GLU C C 8 176.568 176.568 176.517 0.051 19259 2328 1 11 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.288 -1.510 19259 2329 1 11 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.200 1.175 19259 2330 1 11 . 1 1 8 8 GLU H H 8 8.418 8.418 8.398 0.020 19259 2331 1 11 . 1 1 9 9 GLU N N 9 122.013 122.013 117.547 4.466 19259 2332 1 11 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.440 -0.177 19259 2333 1 11 . 1 1 9 9 GLU C C 9 176.229 176.229 175.825 0.404 19259 2334 1 11 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.239 0.237 19259 2335 1 11 . 1 1 9 9 GLU CB C 9 30.398 30.398 30.007 0.391 19259 2336 1 11 . 1 1 9 9 GLU H H 9 8.432 8.432 7.948 0.484 19259 2337 1 11 . 1 1 10 10 LYS N N 10 123.906 123.906 120.403 3.503 19259 2338 1 11 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.453 -0.131 19259 2339 1 11 . 1 1 10 10 LYS C C 10 176.291 176.291 174.910 1.381 19259 2340 1 11 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.533 0.862 19259 2341 1 11 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.876 -0.242 19259 2342 1 11 . 1 1 10 10 LYS H H 10 8.355 8.355 7.858 0.497 19259 2343 1 11 . 1 1 11 11 LEU N N 11 125.459 125.459 122.721 2.738 19259 2344 1 11 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.094 0.608 19259 2345 1 11 . 1 1 11 11 LEU C C 11 174.150 174.150 176.438 -2.288 19259 2346 1 11 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.936 -1.278 19259 2347 1 11 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.409 2.041 19259 2348 1 11 . 1 1 11 11 LEU H H 11 8.640 8.640 8.081 0.559 19259 2349 1 11 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.649 0.235 19259 2350 1 11 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.309 0.236 19259 2351 1 11 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.854 -0.990 19259 2352 1 11 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.325 0.063 19259 2353 1 11 . 1 1 13 13 PRO C C 13 177.111 177.111 177.732 -0.621 19259 2354 1 11 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.062 0.332 19259 2355 1 11 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.515 0.502 19259 2356 1 11 . 1 1 14 14 GLY N N 14 111.924 111.924 110.707 1.217 19259 2357 1 11 . 1 1 14 14 GLY C C 14 172.870 172.870 173.770 -0.900 19259 2358 1 11 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.696 0.307 19259 2359 1 11 . 1 1 14 14 GLY H H 14 8.807 8.807 8.765 0.042 19259 2360 1 11 . 1 1 15 15 TRP N N 15 117.136 117.136 120.937 -3.801 19259 2361 1 11 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.181 0.145 19259 2362 1 11 . 1 1 15 15 TRP C C 15 176.588 176.588 176.636 -0.048 19259 2363 1 11 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.043 0.148 19259 2364 1 11 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.608 1.991 19259 2365 1 11 . 1 1 15 15 TRP H H 15 7.409 7.409 7.798 -0.389 19259 2366 1 11 . 1 1 16 16 GLU N N 16 120.872 120.872 121.337 -0.465 19259 2367 1 11 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.785 0.090 19259 2368 1 11 . 1 1 16 16 GLU C C 16 174.090 174.090 175.180 -1.090 19259 2369 1 11 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.357 -0.556 19259 2370 1 11 . 1 1 16 16 GLU CB C 16 34.718 34.718 33.952 0.766 19259 2371 1 11 . 1 1 16 16 GLU H H 16 9.858 9.858 9.126 0.732 19259 2372 1 11 . 1 1 17 17 LYS N N 17 125.521 125.521 127.217 -1.696 19259 2373 1 11 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.642 -0.189 19259 2374 1 11 . 1 1 17 17 LYS C C 17 175.474 175.474 176.137 -0.663 19259 2375 1 11 . 1 1 17 17 LYS CA C 17 56.241 56.241 57.046 -0.805 19259 2376 1 11 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.014 0.963 19259 2377 1 11 . 1 1 17 17 LYS H H 17 8.980 8.980 8.808 0.172 19259 2378 1 11 . 1 1 18 18 ARG N N 18 127.083 127.083 125.146 1.937 19259 2379 1 11 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.635 -0.182 19259 2380 1 11 . 1 1 18 18 ARG C C 18 173.135 173.135 173.695 -0.560 19259 2381 1 11 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.776 0.836 19259 2382 1 11 . 1 1 18 18 ARG CB C 18 34.628 34.628 34.322 0.306 19259 2383 1 11 . 1 1 18 18 ARG H H 18 8.829 8.829 8.688 0.141 19259 2384 1 11 . 1 1 19 19 MET N N 19 117.317 117.317 119.794 -2.477 19259 2385 1 11 . 1 1 19 19 MET HA H 19 5.027 5.027 5.270 -0.243 19259 2386 1 11 . 1 1 19 19 MET C C 19 176.132 176.132 175.005 1.127 19259 2387 1 11 . 1 1 19 19 MET CA C 19 54.195 54.195 54.319 -0.124 19259 2388 1 11 . 1 1 19 19 MET CB C 19 35.215 35.215 36.807 -1.592 19259 2389 1 11 . 1 1 19 19 MET H H 19 8.131 8.131 8.462 -0.331 19259 2390 1 11 . 1 1 20 20 GLU N N 20 129.506 129.506 125.162 4.344 19259 2391 1 11 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.428 0.161 19259 2392 1 11 . 1 1 20 20 GLU C C 20 176.857 176.857 177.307 -0.450 19259 2393 1 11 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.791 -0.202 19259 2394 1 11 . 1 1 20 20 GLU CB C 20 30.159 30.159 29.994 0.165 19259 2395 1 11 . 1 1 20 20 GLU H H 20 9.531 9.531 9.086 0.445 19259 2396 1 11 . 1 1 21 21 ARG N N 21 129.016 129.016 127.239 1.777 19259 2397 1 11 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.029 -0.036 19259 2398 1 11 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.708 0.900 19259 2399 1 11 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.861 0.231 19259 2400 1 11 . 1 1 21 21 ARG H H 21 8.991 8.991 8.795 0.196 19259 2401 1 11 . 1 1 22 22 SER HA H 22 4.244 4.244 4.303 -0.059 19259 2402 1 11 . 1 1 22 22 SER CA C 22 61.081 61.081 60.314 0.767 19259 2403 1 11 . 1 1 22 22 SER CB C 22 62.480 62.480 63.382 -0.902 19259 2404 1 11 . 1 1 23 23 SER N N 23 114.105 114.105 113.291 0.814 19259 2405 1 11 . 1 1 23 23 SER HA H 23 4.628 4.628 4.559 0.069 19259 2406 1 11 . 1 1 23 23 SER C C 23 176.288 176.288 174.193 2.095 19259 2407 1 11 . 1 1 23 23 SER CA C 23 58.442 58.442 58.583 -0.140 19259 2408 1 11 . 1 1 23 23 SER CB C 23 65.782 65.782 65.818 -0.036 19259 2409 1 11 . 1 1 23 23 SER H H 23 7.884 7.884 7.946 -0.062 19259 2410 1 11 . 1 1 24 24 GLY N N 24 113.237 113.237 111.165 2.072 19259 2411 1 11 . 1 1 24 24 GLY C C 24 173.669 173.669 172.986 0.683 19259 2412 1 11 . 1 1 24 24 GLY CA C 24 46.148 46.148 44.922 1.226 19259 2413 1 11 . 1 1 24 24 GLY H H 24 8.434 8.434 8.195 0.239 19259 2414 1 11 . 1 1 25 25 ARG N N 25 120.269 120.269 120.803 -0.534 19259 2415 1 11 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.801 -0.396 19259 2416 1 11 . 1 1 25 25 ARG C C 25 175.948 175.948 175.359 0.589 19259 2417 1 11 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.177 2.708 19259 2418 1 11 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.579 0.141 19259 2419 1 11 . 1 1 25 25 ARG H H 25 8.058 8.058 7.766 0.292 19259 2420 1 11 . 1 1 26 26 VAL N N 26 124.651 124.651 127.169 -2.518 19259 2421 1 11 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.840 -0.098 19259 2422 1 11 . 1 1 26 26 VAL C C 26 175.406 175.406 175.995 -0.589 19259 2423 1 11 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.079 0.087 19259 2424 1 11 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.071 1.045 19259 2425 1 11 . 1 1 26 26 VAL H H 26 8.508 8.508 8.719 -0.211 19259 2426 1 11 . 1 1 27 27 TYR N N 27 121.966 121.966 120.734 1.232 19259 2427 1 11 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.543 0.339 19259 2428 1 11 . 1 1 27 27 TYR C C 27 170.726 170.726 172.128 -1.402 19259 2429 1 11 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.938 -0.483 19259 2430 1 11 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.902 0.786 19259 2431 1 11 . 1 1 27 27 TYR H H 27 8.664 8.664 8.847 -0.183 19259 2432 1 11 . 1 1 28 28 TYR N N 28 116.945 116.945 116.541 0.404 19259 2433 1 11 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.163 0.108 19259 2434 1 11 . 1 1 28 28 TYR C C 28 174.230 174.230 174.495 -0.265 19259 2435 1 11 . 1 1 28 28 TYR CA C 28 57.206 57.206 56.043 1.163 19259 2436 1 11 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.555 -0.207 19259 2437 1 11 . 1 1 28 28 TYR H H 28 9.005 9.005 8.927 0.078 19259 2438 1 11 . 1 1 29 29 PHE N N 29 124.745 124.745 122.817 1.928 19259 2439 1 11 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.144 0.465 19259 2440 1 11 . 1 1 29 29 PHE C C 29 172.658 172.658 173.457 -0.799 19259 2441 1 11 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.336 -0.324 19259 2442 1 11 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.378 1.059 19259 2443 1 11 . 1 1 29 29 PHE H H 29 9.452 9.452 9.521 -0.069 19259 2444 1 11 . 1 1 30 30 ASN N N 30 128.963 128.963 126.324 2.639 19259 2445 1 11 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.545 -0.099 19259 2446 1 11 . 1 1 30 30 ASN C C 30 174.664 174.664 175.699 -1.035 19259 2447 1 11 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.657 -0.038 19259 2448 1 11 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.834 0.339 19259 2449 1 11 . 1 1 30 30 ASN H H 30 8.122 8.122 7.951 0.171 19259 2450 1 11 . 1 1 31 31 HIS N N 31 121.463 121.463 125.062 -3.599 19259 2451 1 11 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.731 -0.613 19259 2452 1 11 . 1 1 31 31 HIS C C 31 176.235 176.235 176.407 -0.172 19259 2453 1 11 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.935 -0.076 19259 2454 1 11 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.861 0.610 19259 2455 1 11 . 1 1 31 31 HIS H H 31 8.207 8.207 8.902 -0.695 19259 2456 1 11 . 1 1 32 32 ILE N N 32 121.544 121.544 120.100 1.444 19259 2457 1 11 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.820 0.041 19259 2458 1 11 . 1 1 32 32 ILE C C 32 178.224 178.224 177.412 0.812 19259 2459 1 11 . 1 1 32 32 ILE CA C 32 63.411 63.411 64.008 -0.597 19259 2460 1 11 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.232 -1.034 19259 2461 1 11 . 1 1 32 32 ILE H H 32 8.264 8.264 8.066 0.198 19259 2462 1 11 . 1 1 33 33 THR N N 33 107.975 107.975 110.615 -2.640 19259 2463 1 11 . 1 1 33 33 THR HA H 33 4.119 4.119 4.305 -0.186 19259 2464 1 11 . 1 1 33 33 THR C C 33 176.113 176.113 174.109 2.004 19259 2465 1 11 . 1 1 33 33 THR CA C 33 61.307 61.307 60.678 0.629 19259 2466 1 11 . 1 1 33 33 THR CB C 33 70.083 70.083 69.362 0.721 19259 2467 1 11 . 1 1 33 33 THR H H 33 7.434 7.434 7.482 -0.048 19259 2468 1 11 . 1 1 34 34 ASN N N 34 118.294 118.294 118.381 -0.087 19259 2469 1 11 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.151 -0.029 19259 2470 1 11 . 1 1 34 34 ASN C C 34 173.358 173.358 173.788 -0.430 19259 2471 1 11 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.037 1.011 19259 2472 1 11 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.417 0.183 19259 2473 1 11 . 1 1 34 34 ASN H H 34 8.094 8.094 7.845 0.249 19259 2474 1 11 . 1 1 35 35 ALA N N 35 121.778 121.778 121.417 0.361 19259 2475 1 11 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.238 0.215 19259 2476 1 11 . 1 1 35 35 ALA C C 35 175.421 175.421 175.423 -0.002 19259 2477 1 11 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.498 0.559 19259 2478 1 11 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.383 0.491 19259 2479 1 11 . 1 1 35 35 ALA H H 35 7.132 7.132 7.302 -0.170 19259 2480 1 11 . 1 1 36 36 SER N N 36 112.243 112.243 112.051 0.192 19259 2481 1 11 . 1 1 36 36 SER HA H 36 6.027 6.027 5.091 0.936 19259 2482 1 11 . 1 1 36 36 SER C C 36 174.068 174.068 173.442 0.626 19259 2483 1 11 . 1 1 36 36 SER CA C 36 56.932 56.932 57.716 -0.784 19259 2484 1 11 . 1 1 36 36 SER CB C 36 66.691 66.691 65.683 1.008 19259 2485 1 11 . 1 1 36 36 SER H H 36 8.293 8.293 8.151 0.142 19259 2486 1 11 . 1 1 37 37 GLN N N 37 116.909 116.909 120.671 -3.762 19259 2487 1 11 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.591 0.271 19259 2488 1 11 . 1 1 37 37 GLN C C 37 174.646 174.646 174.478 0.168 19259 2489 1 11 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.474 -0.696 19259 2490 1 11 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.674 -0.622 19259 2491 1 11 . 1 1 37 37 GLN H H 37 9.371 9.371 9.138 0.233 19259 2492 1 11 . 1 1 38 38 TRP N N 38 120.433 120.433 119.658 0.775 19259 2493 1 11 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.628 0.357 19259 2494 1 11 . 1 1 38 38 TRP C C 38 177.071 177.071 176.070 1.001 19259 2495 1 11 . 1 1 38 38 TRP CA C 38 58.818 58.818 58.310 0.508 19259 2496 1 11 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.231 0.393 19259 2497 1 11 . 1 1 38 38 TRP H H 38 8.547 8.547 8.840 -0.293 19259 2498 1 11 . 1 1 39 39 GLU N N 39 117.074 117.074 119.809 -2.735 19259 2499 1 11 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.482 -0.031 19259 2500 1 11 . 1 1 39 39 GLU C C 39 175.702 175.702 176.381 -0.679 19259 2501 1 11 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.515 0.277 19259 2502 1 11 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.210 0.121 19259 2503 1 11 . 1 1 39 39 GLU H H 39 8.065 8.065 8.010 0.055 19259 2504 1 11 . 1 1 40 40 ARG N N 40 125.177 125.177 122.983 2.194 19259 2505 1 11 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.864 -1.200 19259 2506 1 11 . 1 1 40 40 ARG C C 40 174.604 174.604 174.796 -0.192 19259 2507 1 11 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.040 -0.825 19259 2508 1 11 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.555 0.508 19259 2509 1 11 . 1 1 40 40 ARG H H 40 8.549 8.549 8.561 -0.012 19259 2510 1 11 . 1 1 41 41 PRO HA H 41 3.931 3.931 3.983 -0.052 19259 2511 1 11 . 1 1 41 41 PRO C C 41 175.431 175.431 175.872 -0.441 19259 2512 1 11 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.805 0.164 19259 2513 1 11 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.441 -0.079 19259 2514 1 11 . 1 1 42 42 SER N N 42 115.527 115.527 114.715 0.812 19259 2515 1 11 . 1 1 42 42 SER HA H 42 4.321 4.321 4.376 -0.055 19259 2516 1 11 . 1 1 42 42 SER C C 42 173.826 173.826 174.064 -0.238 19259 2517 1 11 . 1 1 42 42 SER CA C 42 57.886 57.886 58.355 -0.468 19259 2518 1 11 . 1 1 42 42 SER CB C 42 64.524 64.524 62.866 1.658 19259 2519 1 11 . 1 1 42 42 SER H H 42 8.201 8.201 8.094 0.107 19259 2520 1 12 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.481 -0.118 19259 2521 1 12 . 1 1 2 2 LEU C C 2 177.746 177.746 176.943 0.803 19259 2522 1 12 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.484 0.119 19259 2523 1 12 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.660 -0.369 19259 2524 1 12 . 1 1 3 3 GLU N N 3 121.500 121.500 118.110 3.390 19259 2525 1 12 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.261 -0.015 19259 2526 1 12 . 1 1 3 3 GLU C C 3 176.318 176.318 175.199 1.119 19259 2527 1 12 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.094 1.048 19259 2528 1 12 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.154 -0.444 19259 2529 1 12 . 1 1 3 3 GLU H H 3 8.898 8.898 8.666 0.232 19259 2530 1 12 . 1 1 4 4 HIS N N 4 120.262 120.262 119.131 1.131 19259 2531 1 12 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.734 -0.102 19259 2532 1 12 . 1 1 4 4 HIS C C 4 175.449 175.449 174.889 0.560 19259 2533 1 12 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.286 1.328 19259 2534 1 12 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.727 0.133 19259 2535 1 12 . 1 1 4 4 HIS H H 4 8.307 8.307 8.163 0.144 19259 2536 1 12 . 1 1 5 5 MET N N 5 122.219 122.219 122.348 -0.129 19259 2537 1 12 . 1 1 5 5 MET HA H 5 4.473 4.473 4.545 -0.072 19259 2538 1 12 . 1 1 5 5 MET C C 5 175.854 175.854 176.336 -0.482 19259 2539 1 12 . 1 1 5 5 MET CA C 5 55.366 55.366 54.580 0.787 19259 2540 1 12 . 1 1 5 5 MET CB C 5 32.921 32.921 33.000 -0.079 19259 2541 1 12 . 1 1 5 5 MET H H 5 8.241 8.241 8.731 -0.490 19259 2542 1 12 . 1 1 6 6 ALA N N 6 125.321 125.321 123.362 1.959 19259 2543 1 12 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.601 -0.283 19259 2544 1 12 . 1 1 6 6 ALA C C 6 177.612 177.612 176.088 1.524 19259 2545 1 12 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.646 1.049 19259 2546 1 12 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.327 -2.022 19259 2547 1 12 . 1 1 6 6 ALA H H 6 8.388 8.388 8.266 0.122 19259 2548 1 12 . 1 1 7 7 ASP N N 7 119.856 119.856 121.734 -1.878 19259 2549 1 12 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.386 0.212 19259 2550 1 12 . 1 1 7 7 ASP C C 7 176.539 176.539 177.220 -0.681 19259 2551 1 12 . 1 1 7 7 ASP CA C 7 54.582 54.582 56.149 -1.567 19259 2552 1 12 . 1 1 7 7 ASP CB C 7 41.228 41.228 40.939 0.289 19259 2553 1 12 . 1 1 7 7 ASP H H 7 8.389 8.389 8.826 -0.437 19259 2554 1 12 . 1 1 8 8 GLU N N 8 121.214 121.214 116.880 4.334 19259 2555 1 12 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.023 0.260 19259 2556 1 12 . 1 1 8 8 GLU C C 8 176.568 176.568 177.695 -1.127 19259 2557 1 12 . 1 1 8 8 GLU CA C 8 56.778 56.778 57.896 -1.118 19259 2558 1 12 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.383 1.992 19259 2559 1 12 . 1 1 8 8 GLU H H 8 8.418 8.418 8.806 -0.388 19259 2560 1 12 . 1 1 9 9 GLU N N 9 122.013 122.013 119.774 2.239 19259 2561 1 12 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.291 -0.028 19259 2562 1 12 . 1 1 9 9 GLU C C 9 176.229 176.229 176.561 -0.332 19259 2563 1 12 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.479 -0.003 19259 2564 1 12 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.724 0.674 19259 2565 1 12 . 1 1 9 9 GLU H H 9 8.432 8.432 7.780 0.652 19259 2566 1 12 . 1 1 10 10 LYS N N 10 123.906 123.906 121.000 2.906 19259 2567 1 12 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.363 -0.041 19259 2568 1 12 . 1 1 10 10 LYS C C 10 176.291 176.291 176.580 -0.289 19259 2569 1 12 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.649 0.746 19259 2570 1 12 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.098 0.535 19259 2571 1 12 . 1 1 10 10 LYS H H 10 8.355 8.355 7.760 0.595 19259 2572 1 12 . 1 1 11 11 LEU N N 11 125.459 125.459 127.103 -1.644 19259 2573 1 12 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.179 0.523 19259 2574 1 12 . 1 1 11 11 LEU C C 11 174.150 174.150 175.972 -1.822 19259 2575 1 12 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.195 -0.537 19259 2576 1 12 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.599 1.851 19259 2577 1 12 . 1 1 11 11 LEU H H 11 8.640 8.640 8.436 0.204 19259 2578 1 12 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.692 0.192 19259 2579 1 12 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.360 0.186 19259 2580 1 12 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.741 -0.877 19259 2581 1 12 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.356 0.032 19259 2582 1 12 . 1 1 13 13 PRO C C 13 177.111 177.111 178.025 -0.914 19259 2583 1 12 . 1 1 13 13 PRO CA C 13 64.395 64.395 63.892 0.503 19259 2584 1 12 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.756 0.261 19259 2585 1 12 . 1 1 14 14 GLY N N 14 111.924 111.924 110.575 1.349 19259 2586 1 12 . 1 1 14 14 GLY C C 14 172.870 172.870 173.941 -1.071 19259 2587 1 12 . 1 1 14 14 GLY CA C 14 45.003 45.003 45.249 -0.246 19259 2588 1 12 . 1 1 14 14 GLY H H 14 8.807 8.807 8.907 -0.100 19259 2589 1 12 . 1 1 15 15 TRP N N 15 117.136 117.136 120.680 -3.544 19259 2590 1 12 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.121 0.205 19259 2591 1 12 . 1 1 15 15 TRP C C 15 176.588 176.588 176.567 0.021 19259 2592 1 12 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.240 -0.049 19259 2593 1 12 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.544 2.055 19259 2594 1 12 . 1 1 15 15 TRP H H 15 7.409 7.409 7.246 0.163 19259 2595 1 12 . 1 1 16 16 GLU N N 16 120.872 120.872 121.343 -0.471 19259 2596 1 12 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.775 0.100 19259 2597 1 12 . 1 1 16 16 GLU C C 16 174.090 174.090 175.090 -1.000 19259 2598 1 12 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.284 -0.483 19259 2599 1 12 . 1 1 16 16 GLU CB C 16 34.718 34.718 33.946 0.772 19259 2600 1 12 . 1 1 16 16 GLU H H 16 9.858 9.858 9.087 0.771 19259 2601 1 12 . 1 1 17 17 LYS N N 17 125.521 125.521 127.079 -1.558 19259 2602 1 12 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.660 -0.207 19259 2603 1 12 . 1 1 17 17 LYS C C 17 175.474 175.474 176.102 -0.628 19259 2604 1 12 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.875 -0.634 19259 2605 1 12 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.044 0.933 19259 2606 1 12 . 1 1 17 17 LYS H H 17 8.980 8.980 8.810 0.170 19259 2607 1 12 . 1 1 18 18 ARG N N 18 127.083 127.083 125.172 1.911 19259 2608 1 12 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.631 -0.178 19259 2609 1 12 . 1 1 18 18 ARG C C 18 173.135 173.135 173.712 -0.577 19259 2610 1 12 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.725 0.887 19259 2611 1 12 . 1 1 18 18 ARG CB C 18 34.628 34.628 34.224 0.404 19259 2612 1 12 . 1 1 18 18 ARG H H 18 8.829 8.829 8.681 0.148 19259 2613 1 12 . 1 1 19 19 MET N N 19 117.317 117.317 119.870 -2.553 19259 2614 1 12 . 1 1 19 19 MET HA H 19 5.027 5.027 5.197 -0.170 19259 2615 1 12 . 1 1 19 19 MET C C 19 176.132 176.132 174.875 1.257 19259 2616 1 12 . 1 1 19 19 MET CA C 19 54.195 54.195 54.493 -0.298 19259 2617 1 12 . 1 1 19 19 MET CB C 19 35.215 35.215 36.699 -1.484 19259 2618 1 12 . 1 1 19 19 MET H H 19 8.131 8.131 8.413 -0.282 19259 2619 1 12 . 1 1 20 20 GLU N N 20 129.506 129.506 125.758 3.748 19259 2620 1 12 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.369 0.220 19259 2621 1 12 . 1 1 20 20 GLU C C 20 176.857 176.857 176.679 0.178 19259 2622 1 12 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.778 -0.189 19259 2623 1 12 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.162 -0.003 19259 2624 1 12 . 1 1 20 20 GLU H H 20 9.531 9.531 9.149 0.382 19259 2625 1 12 . 1 1 21 21 ARG N N 21 129.016 129.016 127.701 1.315 19259 2626 1 12 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.079 -0.086 19259 2627 1 12 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.540 1.068 19259 2628 1 12 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.137 -0.045 19259 2629 1 12 . 1 1 21 21 ARG H H 21 8.991 8.991 8.916 0.075 19259 2630 1 12 . 1 1 22 22 SER HA H 22 4.244 4.244 4.298 -0.054 19259 2631 1 12 . 1 1 22 22 SER CA C 22 61.081 61.081 60.346 0.735 19259 2632 1 12 . 1 1 22 22 SER CB C 22 62.480 62.480 63.305 -0.825 19259 2633 1 12 . 1 1 23 23 SER N N 23 114.105 114.105 113.237 0.868 19259 2634 1 12 . 1 1 23 23 SER HA H 23 4.628 4.628 4.615 0.013 19259 2635 1 12 . 1 1 23 23 SER C C 23 176.288 176.288 174.582 1.706 19259 2636 1 12 . 1 1 23 23 SER CA C 23 58.442 58.442 58.702 -0.259 19259 2637 1 12 . 1 1 23 23 SER CB C 23 65.782 65.782 66.297 -0.515 19259 2638 1 12 . 1 1 23 23 SER H H 23 7.884 7.884 7.616 0.268 19259 2639 1 12 . 1 1 24 24 GLY N N 24 113.237 113.237 111.775 1.462 19259 2640 1 12 . 1 1 24 24 GLY C C 24 173.669 173.669 172.938 0.731 19259 2641 1 12 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.176 0.972 19259 2642 1 12 . 1 1 24 24 GLY H H 24 8.434 8.434 8.384 0.050 19259 2643 1 12 . 1 1 25 25 ARG N N 25 120.269 120.269 120.130 0.139 19259 2644 1 12 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.816 -0.411 19259 2645 1 12 . 1 1 25 25 ARG C C 25 175.948 175.948 175.158 0.790 19259 2646 1 12 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.316 2.569 19259 2647 1 12 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.247 -0.527 19259 2648 1 12 . 1 1 25 25 ARG H H 25 8.058 8.058 7.716 0.342 19259 2649 1 12 . 1 1 26 26 VAL N N 26 124.651 124.651 126.700 -2.049 19259 2650 1 12 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.733 0.009 19259 2651 1 12 . 1 1 26 26 VAL C C 26 175.406 175.406 175.935 -0.529 19259 2652 1 12 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.123 -0.958 19259 2653 1 12 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.374 0.742 19259 2654 1 12 . 1 1 26 26 VAL H H 26 8.508 8.508 8.710 -0.202 19259 2655 1 12 . 1 1 27 27 TYR N N 27 121.966 121.966 119.664 2.302 19259 2656 1 12 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.491 0.391 19259 2657 1 12 . 1 1 27 27 TYR C C 27 170.726 170.726 172.202 -1.476 19259 2658 1 12 . 1 1 27 27 TYR CA C 27 55.455 55.455 56.308 -0.853 19259 2659 1 12 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.763 0.925 19259 2660 1 12 . 1 1 27 27 TYR H H 27 8.664 8.664 8.680 -0.016 19259 2661 1 12 . 1 1 28 28 TYR N N 28 116.945 116.945 116.800 0.145 19259 2662 1 12 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.253 0.018 19259 2663 1 12 . 1 1 28 28 TYR C C 28 174.230 174.230 174.468 -0.238 19259 2664 1 12 . 1 1 28 28 TYR CA C 28 57.206 57.206 56.136 1.070 19259 2665 1 12 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.618 -0.270 19259 2666 1 12 . 1 1 28 28 TYR H H 28 9.005 9.005 8.956 0.049 19259 2667 1 12 . 1 1 29 29 PHE N N 29 124.745 124.745 122.730 2.015 19259 2668 1 12 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.148 0.461 19259 2669 1 12 . 1 1 29 29 PHE C C 29 172.658 172.658 173.384 -0.726 19259 2670 1 12 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.458 -0.446 19259 2671 1 12 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.552 0.885 19259 2672 1 12 . 1 1 29 29 PHE H H 29 9.452 9.452 9.512 -0.060 19259 2673 1 12 . 1 1 30 30 ASN N N 30 128.963 128.963 125.882 3.081 19259 2674 1 12 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.527 -0.081 19259 2675 1 12 . 1 1 30 30 ASN C C 30 174.664 174.664 175.700 -1.036 19259 2676 1 12 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.651 -0.032 19259 2677 1 12 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.864 0.309 19259 2678 1 12 . 1 1 30 30 ASN H H 30 8.122 8.122 7.879 0.243 19259 2679 1 12 . 1 1 31 31 HIS N N 31 121.463 121.463 124.867 -3.404 19259 2680 1 12 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.731 -0.614 19259 2681 1 12 . 1 1 31 31 HIS C C 31 176.235 176.235 176.439 -0.204 19259 2682 1 12 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.610 0.249 19259 2683 1 12 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.740 0.731 19259 2684 1 12 . 1 1 31 31 HIS H H 31 8.207 8.207 8.725 -0.518 19259 2685 1 12 . 1 1 32 32 ILE N N 32 121.544 121.544 119.998 1.546 19259 2686 1 12 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.774 0.087 19259 2687 1 12 . 1 1 32 32 ILE C C 32 178.224 178.224 177.164 1.060 19259 2688 1 12 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.726 -0.315 19259 2689 1 12 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.229 -1.031 19259 2690 1 12 . 1 1 32 32 ILE H H 32 8.264 8.264 8.158 0.106 19259 2691 1 12 . 1 1 33 33 THR N N 33 107.975 107.975 111.949 -3.974 19259 2692 1 12 . 1 1 33 33 THR HA H 33 4.119 4.119 4.286 -0.167 19259 2693 1 12 . 1 1 33 33 THR C C 33 176.113 176.113 174.626 1.487 19259 2694 1 12 . 1 1 33 33 THR CA C 33 61.307 61.307 60.919 0.388 19259 2695 1 12 . 1 1 33 33 THR CB C 33 70.083 70.083 69.572 0.511 19259 2696 1 12 . 1 1 33 33 THR H H 33 7.434 7.434 7.267 0.167 19259 2697 1 12 . 1 1 34 34 ASN N N 34 118.294 118.294 117.023 1.271 19259 2698 1 12 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.193 -0.071 19259 2699 1 12 . 1 1 34 34 ASN C C 34 173.358 173.358 173.885 -0.527 19259 2700 1 12 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.766 1.282 19259 2701 1 12 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.658 -0.059 19259 2702 1 12 . 1 1 34 34 ASN H H 34 8.094 8.094 7.870 0.224 19259 2703 1 12 . 1 1 35 35 ALA N N 35 121.778 121.778 120.450 1.328 19259 2704 1 12 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.445 0.008 19259 2705 1 12 . 1 1 35 35 ALA C C 35 175.421 175.421 175.306 0.115 19259 2706 1 12 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.150 0.907 19259 2707 1 12 . 1 1 35 35 ALA CB C 35 20.874 20.874 21.043 -0.169 19259 2708 1 12 . 1 1 35 35 ALA H H 35 7.132 7.132 7.405 -0.273 19259 2709 1 12 . 1 1 36 36 SER N N 36 112.243 112.243 112.637 -0.394 19259 2710 1 12 . 1 1 36 36 SER HA H 36 6.027 6.027 5.032 0.995 19259 2711 1 12 . 1 1 36 36 SER C C 36 174.068 174.068 173.397 0.671 19259 2712 1 12 . 1 1 36 36 SER CA C 36 56.932 56.932 57.982 -1.050 19259 2713 1 12 . 1 1 36 36 SER CB C 36 66.691 66.691 66.045 0.646 19259 2714 1 12 . 1 1 36 36 SER H H 36 8.293 8.293 8.196 0.097 19259 2715 1 12 . 1 1 37 37 GLN N N 37 116.909 116.909 119.659 -2.750 19259 2716 1 12 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.664 0.198 19259 2717 1 12 . 1 1 37 37 GLN C C 37 174.646 174.646 174.550 0.096 19259 2718 1 12 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.715 -0.937 19259 2719 1 12 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.484 -0.433 19259 2720 1 12 . 1 1 37 37 GLN H H 37 9.371 9.371 9.130 0.241 19259 2721 1 12 . 1 1 38 38 TRP N N 38 120.433 120.433 120.424 0.009 19259 2722 1 12 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.793 0.192 19259 2723 1 12 . 1 1 38 38 TRP C C 38 177.071 177.071 177.056 0.015 19259 2724 1 12 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.589 1.229 19259 2725 1 12 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.784 -0.160 19259 2726 1 12 . 1 1 38 38 TRP H H 38 8.547 8.547 8.941 -0.394 19259 2727 1 12 . 1 1 39 39 GLU N N 39 117.074 117.074 119.472 -2.398 19259 2728 1 12 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.588 -0.137 19259 2729 1 12 . 1 1 39 39 GLU C C 39 175.702 175.702 176.634 -0.932 19259 2730 1 12 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.624 0.168 19259 2731 1 12 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.996 -0.665 19259 2732 1 12 . 1 1 39 39 GLU H H 39 8.065 8.065 8.706 -0.641 19259 2733 1 12 . 1 1 40 40 ARG N N 40 125.177 125.177 123.324 1.853 19259 2734 1 12 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.752 -1.088 19259 2735 1 12 . 1 1 40 40 ARG C C 40 174.604 174.604 174.695 -0.091 19259 2736 1 12 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.423 -1.208 19259 2737 1 12 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.893 0.170 19259 2738 1 12 . 1 1 40 40 ARG H H 40 8.549 8.549 8.562 -0.013 19259 2739 1 12 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.090 -0.159 19259 2740 1 12 . 1 1 41 41 PRO C C 41 175.431 175.431 175.271 0.160 19259 2741 1 12 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.551 0.418 19259 2742 1 12 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.169 0.193 19259 2743 1 12 . 1 1 42 42 SER N N 42 115.527 115.527 112.384 3.143 19259 2744 1 12 . 1 1 42 42 SER HA H 42 4.321 4.321 4.479 -0.158 19259 2745 1 12 . 1 1 42 42 SER C C 42 173.826 173.826 173.614 0.212 19259 2746 1 12 . 1 1 42 42 SER CA C 42 57.886 57.886 57.523 0.363 19259 2747 1 12 . 1 1 42 42 SER CB C 42 64.524 64.524 64.189 0.335 19259 2748 1 12 . 1 1 42 42 SER H H 42 8.201 8.201 7.958 0.243 19259 2749 1 13 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.628 -0.265 19259 2750 1 13 . 1 1 2 2 LEU C C 2 177.746 177.746 177.691 0.055 19259 2751 1 13 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.086 0.517 19259 2752 1 13 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.488 -0.197 19259 2753 1 13 . 1 1 3 3 GLU N N 3 121.500 121.500 121.052 0.448 19259 2754 1 13 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.121 0.125 19259 2755 1 13 . 1 1 3 3 GLU C C 3 176.318 176.318 175.381 0.937 19259 2756 1 13 . 1 1 3 3 GLU CA C 3 57.142 57.142 57.516 -0.374 19259 2757 1 13 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.035 -0.325 19259 2758 1 13 . 1 1 3 3 GLU H H 3 8.898 8.898 8.192 0.706 19259 2759 1 13 . 1 1 4 4 HIS N N 4 120.262 120.262 122.272 -2.010 19259 2760 1 13 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.975 -0.343 19259 2761 1 13 . 1 1 4 4 HIS C C 4 175.449 175.449 174.384 1.065 19259 2762 1 13 . 1 1 4 4 HIS CA C 4 56.614 56.614 54.825 1.789 19259 2763 1 13 . 1 1 4 4 HIS CB C 4 30.860 30.860 31.324 -0.464 19259 2764 1 13 . 1 1 4 4 HIS H H 4 8.307 8.307 8.251 0.056 19259 2765 1 13 . 1 1 5 5 MET N N 5 122.219 122.219 119.419 2.800 19259 2766 1 13 . 1 1 5 5 MET HA H 5 4.473 4.473 4.896 -0.423 19259 2767 1 13 . 1 1 5 5 MET C C 5 175.854 175.854 173.750 2.104 19259 2768 1 13 . 1 1 5 5 MET CA C 5 55.366 55.366 54.935 0.431 19259 2769 1 13 . 1 1 5 5 MET CB C 5 32.921 32.921 34.064 -1.143 19259 2770 1 13 . 1 1 5 5 MET H H 5 8.241 8.241 8.541 -0.300 19259 2771 1 13 . 1 1 6 6 ALA N N 6 125.321 125.321 122.750 2.571 19259 2772 1 13 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.708 -0.390 19259 2773 1 13 . 1 1 6 6 ALA C C 6 177.612 177.612 175.450 2.162 19259 2774 1 13 . 1 1 6 6 ALA CA C 6 52.695 52.695 52.092 0.603 19259 2775 1 13 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.211 -1.906 19259 2776 1 13 . 1 1 6 6 ALA H H 6 8.388 8.388 8.270 0.118 19259 2777 1 13 . 1 1 7 7 ASP N N 7 119.856 119.856 118.370 1.486 19259 2778 1 13 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.600 -0.002 19259 2779 1 13 . 1 1 7 7 ASP C C 7 176.539 176.539 177.306 -0.767 19259 2780 1 13 . 1 1 7 7 ASP CA C 7 54.582 54.582 54.639 -0.057 19259 2781 1 13 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.317 -0.089 19259 2782 1 13 . 1 1 7 7 ASP H H 7 8.389 8.389 8.830 -0.441 19259 2783 1 13 . 1 1 8 8 GLU N N 8 121.214 121.214 119.822 1.392 19259 2784 1 13 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.006 0.277 19259 2785 1 13 . 1 1 8 8 GLU C C 8 176.568 176.568 177.281 -0.713 19259 2786 1 13 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.396 -1.618 19259 2787 1 13 . 1 1 8 8 GLU CB C 8 30.375 30.375 29.100 1.275 19259 2788 1 13 . 1 1 8 8 GLU H H 8 8.418 8.418 8.793 -0.375 19259 2789 1 13 . 1 1 9 9 GLU N N 9 122.013 122.013 118.672 3.341 19259 2790 1 13 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.396 -0.133 19259 2791 1 13 . 1 1 9 9 GLU C C 9 176.229 176.229 176.007 0.222 19259 2792 1 13 . 1 1 9 9 GLU CA C 9 56.476 56.476 55.828 0.649 19259 2793 1 13 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.820 0.578 19259 2794 1 13 . 1 1 9 9 GLU H H 9 8.432 8.432 8.473 -0.041 19259 2795 1 13 . 1 1 10 10 LYS N N 10 123.906 123.906 122.099 1.807 19259 2796 1 13 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.490 -0.168 19259 2797 1 13 . 1 1 10 10 LYS C C 10 176.291 176.291 175.795 0.496 19259 2798 1 13 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.567 1.828 19259 2799 1 13 . 1 1 10 10 LYS CB C 10 32.633 32.633 30.894 1.739 19259 2800 1 13 . 1 1 10 10 LYS H H 10 8.355 8.355 7.957 0.398 19259 2801 1 13 . 1 1 11 11 LEU N N 11 125.459 125.459 126.244 -0.785 19259 2802 1 13 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.080 0.622 19259 2803 1 13 . 1 1 11 11 LEU C C 11 174.150 174.150 175.791 -1.641 19259 2804 1 13 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.431 -0.773 19259 2805 1 13 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.408 2.042 19259 2806 1 13 . 1 1 11 11 LEU H H 11 8.640 8.640 7.917 0.723 19259 2807 1 13 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.631 0.253 19259 2808 1 13 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.350 0.196 19259 2809 1 13 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.937 -1.073 19259 2810 1 13 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.309 0.079 19259 2811 1 13 . 1 1 13 13 PRO C C 13 177.111 177.111 177.366 -0.255 19259 2812 1 13 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.048 0.347 19259 2813 1 13 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.219 0.798 19259 2814 1 13 . 1 1 14 14 GLY N N 14 111.924 111.924 110.983 0.941 19259 2815 1 13 . 1 1 14 14 GLY C C 14 172.870 172.870 173.393 -0.523 19259 2816 1 13 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.506 0.497 19259 2817 1 13 . 1 1 14 14 GLY H H 14 8.807 8.807 8.688 0.119 19259 2818 1 13 . 1 1 15 15 TRP N N 15 117.136 117.136 121.020 -3.884 19259 2819 1 13 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.267 0.059 19259 2820 1 13 . 1 1 15 15 TRP C C 15 176.588 176.588 175.900 0.688 19259 2821 1 13 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.075 0.117 19259 2822 1 13 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.990 1.609 19259 2823 1 13 . 1 1 15 15 TRP H H 15 7.409 7.409 7.931 -0.522 19259 2824 1 13 . 1 1 16 16 GLU N N 16 120.872 120.872 119.956 0.916 19259 2825 1 13 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.778 0.097 19259 2826 1 13 . 1 1 16 16 GLU C C 16 174.090 174.090 174.956 -0.866 19259 2827 1 13 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.960 -0.159 19259 2828 1 13 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.137 0.581 19259 2829 1 13 . 1 1 16 16 GLU H H 16 9.858 9.858 9.260 0.598 19259 2830 1 13 . 1 1 17 17 LYS N N 17 125.521 125.521 127.191 -1.670 19259 2831 1 13 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.923 -0.470 19259 2832 1 13 . 1 1 17 17 LYS C C 17 175.474 175.474 175.882 -0.408 19259 2833 1 13 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.329 -0.088 19259 2834 1 13 . 1 1 17 17 LYS CB C 17 33.977 33.977 32.829 1.148 19259 2835 1 13 . 1 1 17 17 LYS H H 17 8.980 8.980 8.787 0.193 19259 2836 1 13 . 1 1 18 18 ARG N N 18 127.083 127.083 125.404 1.679 19259 2837 1 13 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.572 -0.119 19259 2838 1 13 . 1 1 18 18 ARG C C 18 173.135 173.135 173.552 -0.417 19259 2839 1 13 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.811 0.801 19259 2840 1 13 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.627 1.001 19259 2841 1 13 . 1 1 18 18 ARG H H 18 8.829 8.829 8.275 0.554 19259 2842 1 13 . 1 1 19 19 MET N N 19 117.317 117.317 119.989 -2.672 19259 2843 1 13 . 1 1 19 19 MET HA H 19 5.027 5.027 5.237 -0.210 19259 2844 1 13 . 1 1 19 19 MET C C 19 176.132 176.132 174.802 1.330 19259 2845 1 13 . 1 1 19 19 MET CA C 19 54.195 54.195 54.729 -0.534 19259 2846 1 13 . 1 1 19 19 MET CB C 19 35.215 35.215 36.596 -1.381 19259 2847 1 13 . 1 1 19 19 MET H H 19 8.131 8.131 8.566 -0.435 19259 2848 1 13 . 1 1 20 20 GLU N N 20 129.506 129.506 125.429 4.077 19259 2849 1 13 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.438 0.151 19259 2850 1 13 . 1 1 20 20 GLU C C 20 176.857 176.857 176.951 -0.094 19259 2851 1 13 . 1 1 20 20 GLU CA C 20 56.589 56.589 57.093 -0.504 19259 2852 1 13 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.474 -0.315 19259 2853 1 13 . 1 1 20 20 GLU H H 20 9.531 9.531 8.977 0.554 19259 2854 1 13 . 1 1 21 21 ARG N N 21 129.016 129.016 125.124 3.892 19259 2855 1 13 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.220 -0.227 19259 2856 1 13 . 1 1 21 21 ARG CA C 21 59.608 59.608 57.999 1.609 19259 2857 1 13 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.705 0.387 19259 2858 1 13 . 1 1 21 21 ARG H H 21 8.991 8.991 8.774 0.217 19259 2859 1 13 . 1 1 22 22 SER HA H 22 4.244 4.244 4.287 -0.043 19259 2860 1 13 . 1 1 22 22 SER CA C 22 61.081 61.081 60.562 0.519 19259 2861 1 13 . 1 1 22 22 SER CB C 22 62.480 62.480 63.175 -0.695 19259 2862 1 13 . 1 1 23 23 SER N N 23 114.105 114.105 114.518 -0.413 19259 2863 1 13 . 1 1 23 23 SER HA H 23 4.628 4.628 4.631 -0.003 19259 2864 1 13 . 1 1 23 23 SER C C 23 176.288 176.288 173.630 2.658 19259 2865 1 13 . 1 1 23 23 SER CA C 23 58.442 58.442 58.167 0.275 19259 2866 1 13 . 1 1 23 23 SER CB C 23 65.782 65.782 65.838 -0.056 19259 2867 1 13 . 1 1 23 23 SER H H 23 7.884 7.884 7.751 0.133 19259 2868 1 13 . 1 1 24 24 GLY N N 24 113.237 113.237 110.426 2.811 19259 2869 1 13 . 1 1 24 24 GLY C C 24 173.669 173.669 173.622 0.047 19259 2870 1 13 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.452 0.696 19259 2871 1 13 . 1 1 24 24 GLY H H 24 8.434 8.434 8.299 0.135 19259 2872 1 13 . 1 1 25 25 ARG N N 25 120.269 120.269 120.856 -0.587 19259 2873 1 13 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.819 -0.414 19259 2874 1 13 . 1 1 25 25 ARG C C 25 175.948 175.948 175.407 0.541 19259 2875 1 13 . 1 1 25 25 ARG CA C 25 56.885 56.885 53.996 2.889 19259 2876 1 13 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.863 -0.143 19259 2877 1 13 . 1 1 25 25 ARG H H 25 8.058 8.058 7.653 0.405 19259 2878 1 13 . 1 1 26 26 VAL N N 26 124.651 124.651 127.689 -3.038 19259 2879 1 13 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.783 -0.041 19259 2880 1 13 . 1 1 26 26 VAL C C 26 175.406 175.406 175.978 -0.572 19259 2881 1 13 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.548 -0.383 19259 2882 1 13 . 1 1 26 26 VAL CB C 26 33.116 33.116 31.825 1.292 19259 2883 1 13 . 1 1 26 26 VAL H H 26 8.508 8.508 8.775 -0.267 19259 2884 1 13 . 1 1 27 27 TYR N N 27 121.966 121.966 122.826 -0.860 19259 2885 1 13 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.396 0.486 19259 2886 1 13 . 1 1 27 27 TYR C C 27 170.726 170.726 172.436 -1.710 19259 2887 1 13 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.681 -0.226 19259 2888 1 13 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.088 0.600 19259 2889 1 13 . 1 1 27 27 TYR H H 27 8.664 8.664 8.939 -0.275 19259 2890 1 13 . 1 1 28 28 TYR N N 28 116.945 116.945 116.511 0.434 19259 2891 1 13 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.189 0.082 19259 2892 1 13 . 1 1 28 28 TYR C C 28 174.230 174.230 174.535 -0.305 19259 2893 1 13 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.730 1.476 19259 2894 1 13 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.133 0.215 19259 2895 1 13 . 1 1 28 28 TYR H H 28 9.005 9.005 8.772 0.233 19259 2896 1 13 . 1 1 29 29 PHE N N 29 124.745 124.745 123.326 1.419 19259 2897 1 13 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.191 0.417 19259 2898 1 13 . 1 1 29 29 PHE C C 29 172.658 172.658 173.425 -0.767 19259 2899 1 13 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.141 -0.129 19259 2900 1 13 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.372 1.065 19259 2901 1 13 . 1 1 29 29 PHE H H 29 9.452 9.452 9.523 -0.071 19259 2902 1 13 . 1 1 30 30 ASN N N 30 128.963 128.963 126.242 2.721 19259 2903 1 13 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.553 -0.107 19259 2904 1 13 . 1 1 30 30 ASN C C 30 174.664 174.664 175.601 -0.937 19259 2905 1 13 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.803 -0.184 19259 2906 1 13 . 1 1 30 30 ASN CB C 30 38.173 38.173 38.080 0.093 19259 2907 1 13 . 1 1 30 30 ASN H H 30 8.122 8.122 7.982 0.140 19259 2908 1 13 . 1 1 31 31 HIS N N 31 121.463 121.463 124.964 -3.501 19259 2909 1 13 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.700 -0.582 19259 2910 1 13 . 1 1 31 31 HIS C C 31 176.235 176.235 176.343 -0.108 19259 2911 1 13 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.874 -0.015 19259 2912 1 13 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.775 0.696 19259 2913 1 13 . 1 1 31 31 HIS H H 31 8.207 8.207 9.034 -0.827 19259 2914 1 13 . 1 1 32 32 ILE N N 32 121.544 121.544 120.404 1.140 19259 2915 1 13 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.827 0.034 19259 2916 1 13 . 1 1 32 32 ILE C C 32 178.224 178.224 177.458 0.766 19259 2917 1 13 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.944 -0.534 19259 2918 1 13 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.259 -1.061 19259 2919 1 13 . 1 1 32 32 ILE H H 32 8.264 8.264 7.984 0.280 19259 2920 1 13 . 1 1 33 33 THR N N 33 107.975 107.975 111.712 -3.737 19259 2921 1 13 . 1 1 33 33 THR HA H 33 4.119 4.119 4.293 -0.174 19259 2922 1 13 . 1 1 33 33 THR C C 33 176.113 176.113 174.576 1.537 19259 2923 1 13 . 1 1 33 33 THR CA C 33 61.307 61.307 61.065 0.242 19259 2924 1 13 . 1 1 33 33 THR CB C 33 70.083 70.083 69.313 0.770 19259 2925 1 13 . 1 1 33 33 THR H H 33 7.434 7.434 7.368 0.066 19259 2926 1 13 . 1 1 34 34 ASN N N 34 118.294 118.294 118.200 0.094 19259 2927 1 13 . 1 1 34 34 ASN HA H 34 4.122 4.122 3.927 0.195 19259 2928 1 13 . 1 1 34 34 ASN C C 34 173.358 173.358 173.395 -0.037 19259 2929 1 13 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.063 0.985 19259 2930 1 13 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.545 0.055 19259 2931 1 13 . 1 1 34 34 ASN H H 34 8.094 8.094 8.027 0.067 19259 2932 1 13 . 1 1 35 35 ALA N N 35 121.778 121.778 119.324 2.454 19259 2933 1 13 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.288 0.165 19259 2934 1 13 . 1 1 35 35 ALA C C 35 175.421 175.421 175.587 -0.166 19259 2935 1 13 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.388 0.669 19259 2936 1 13 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.602 0.272 19259 2937 1 13 . 1 1 35 35 ALA H H 35 7.132 7.132 7.173 -0.041 19259 2938 1 13 . 1 1 36 36 SER N N 36 112.243 112.243 112.649 -0.406 19259 2939 1 13 . 1 1 36 36 SER HA H 36 6.027 6.027 5.153 0.874 19259 2940 1 13 . 1 1 36 36 SER C C 36 174.068 174.068 173.465 0.603 19259 2941 1 13 . 1 1 36 36 SER CA C 36 56.932 56.932 57.840 -0.908 19259 2942 1 13 . 1 1 36 36 SER CB C 36 66.691 66.691 65.665 1.026 19259 2943 1 13 . 1 1 36 36 SER H H 36 8.293 8.293 8.193 0.100 19259 2944 1 13 . 1 1 37 37 GLN N N 37 116.909 116.909 121.357 -4.448 19259 2945 1 13 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.595 0.267 19259 2946 1 13 . 1 1 37 37 GLN C C 37 174.646 174.646 174.326 0.320 19259 2947 1 13 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.486 -0.709 19259 2948 1 13 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.776 -0.724 19259 2949 1 13 . 1 1 37 37 GLN H H 37 9.371 9.371 9.149 0.222 19259 2950 1 13 . 1 1 38 38 TRP N N 38 120.433 120.433 119.405 1.028 19259 2951 1 13 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.596 0.389 19259 2952 1 13 . 1 1 38 38 TRP C C 38 177.071 177.071 176.231 0.840 19259 2953 1 13 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.743 1.075 19259 2954 1 13 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.555 0.069 19259 2955 1 13 . 1 1 38 38 TRP H H 38 8.547 8.547 8.700 -0.153 19259 2956 1 13 . 1 1 39 39 GLU N N 39 117.074 117.074 120.143 -3.069 19259 2957 1 13 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.478 -0.027 19259 2958 1 13 . 1 1 39 39 GLU C C 39 175.702 175.702 176.451 -0.749 19259 2959 1 13 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.669 0.123 19259 2960 1 13 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.281 0.050 19259 2961 1 13 . 1 1 39 39 GLU H H 39 8.065 8.065 8.053 0.012 19259 2962 1 13 . 1 1 40 40 ARG N N 40 125.177 125.177 124.512 0.665 19259 2963 1 13 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.862 -1.198 19259 2964 1 13 . 1 1 40 40 ARG C C 40 174.604 174.604 174.794 -0.190 19259 2965 1 13 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.099 -0.884 19259 2966 1 13 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.588 0.475 19259 2967 1 13 . 1 1 40 40 ARG H H 40 8.549 8.549 8.534 0.015 19259 2968 1 13 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.239 -0.308 19259 2969 1 13 . 1 1 41 41 PRO C C 41 175.431 175.431 175.918 -0.487 19259 2970 1 13 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.941 0.028 19259 2971 1 13 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.390 -0.028 19259 2972 1 13 . 1 1 42 42 SER N N 42 115.527 115.527 113.674 1.853 19259 2973 1 13 . 1 1 42 42 SER HA H 42 4.321 4.321 4.526 -0.205 19259 2974 1 13 . 1 1 42 42 SER C C 42 173.826 173.826 173.981 -0.155 19259 2975 1 13 . 1 1 42 42 SER CA C 42 57.886 57.886 57.518 0.368 19259 2976 1 13 . 1 1 42 42 SER CB C 42 64.524 64.524 65.433 -0.909 19259 2977 1 13 . 1 1 42 42 SER H H 42 8.201 8.201 8.081 0.120 19259 2978 1 14 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.791 -0.428 19259 2979 1 14 . 1 1 2 2 LEU C C 2 177.746 177.746 176.519 1.227 19259 2980 1 14 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.370 1.232 19259 2981 1 14 . 1 1 2 2 LEU CB C 2 42.291 42.291 41.338 0.953 19259 2982 1 14 . 1 1 3 3 GLU N N 3 121.500 121.500 122.629 -1.129 19259 2983 1 14 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.311 -0.065 19259 2984 1 14 . 1 1 3 3 GLU C C 3 176.318 176.318 176.549 -0.231 19259 2985 1 14 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.875 0.267 19259 2986 1 14 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.633 0.077 19259 2987 1 14 . 1 1 3 3 GLU H H 3 8.898 8.898 8.869 0.029 19259 2988 1 14 . 1 1 4 4 HIS N N 4 120.262 120.262 119.557 0.705 19259 2989 1 14 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.694 -0.062 19259 2990 1 14 . 1 1 4 4 HIS C C 4 175.449 175.449 174.604 0.845 19259 2991 1 14 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.075 1.539 19259 2992 1 14 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.785 0.075 19259 2993 1 14 . 1 1 4 4 HIS H H 4 8.307 8.307 7.871 0.436 19259 2994 1 14 . 1 1 5 5 MET N N 5 122.219 122.219 120.779 1.440 19259 2995 1 14 . 1 1 5 5 MET HA H 5 4.473 4.473 4.543 -0.070 19259 2996 1 14 . 1 1 5 5 MET C C 5 175.854 175.854 175.617 0.237 19259 2997 1 14 . 1 1 5 5 MET CA C 5 55.366 55.366 55.490 -0.124 19259 2998 1 14 . 1 1 5 5 MET CB C 5 32.921 32.921 32.181 0.740 19259 2999 1 14 . 1 1 5 5 MET H H 5 8.241 8.241 8.528 -0.287 19259 3000 1 14 . 1 1 6 6 ALA N N 6 125.321 125.321 127.849 -2.528 19259 3001 1 14 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.577 -0.259 19259 3002 1 14 . 1 1 6 6 ALA C C 6 177.612 177.612 176.034 1.578 19259 3003 1 14 . 1 1 6 6 ALA CA C 6 52.695 52.695 52.067 0.628 19259 3004 1 14 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.047 -1.742 19259 3005 1 14 . 1 1 6 6 ALA H H 6 8.388 8.388 8.374 0.014 19259 3006 1 14 . 1 1 7 7 ASP N N 7 119.856 119.856 121.525 -1.669 19259 3007 1 14 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.657 -0.059 19259 3008 1 14 . 1 1 7 7 ASP C C 7 176.539 176.539 177.352 -0.813 19259 3009 1 14 . 1 1 7 7 ASP CA C 7 54.582 54.582 54.427 0.155 19259 3010 1 14 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.388 -0.160 19259 3011 1 14 . 1 1 7 7 ASP H H 7 8.389 8.389 8.820 -0.431 19259 3012 1 14 . 1 1 8 8 GLU N N 8 121.214 121.214 120.755 0.459 19259 3013 1 14 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.013 0.270 19259 3014 1 14 . 1 1 8 8 GLU C C 8 176.568 176.568 177.887 -1.319 19259 3015 1 14 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.414 -1.636 19259 3016 1 14 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.789 1.586 19259 3017 1 14 . 1 1 8 8 GLU H H 8 8.418 8.418 8.812 -0.394 19259 3018 1 14 . 1 1 9 9 GLU N N 9 122.013 122.013 118.932 3.081 19259 3019 1 14 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.173 0.090 19259 3020 1 14 . 1 1 9 9 GLU C C 9 176.229 176.229 176.454 -0.225 19259 3021 1 14 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.005 -0.529 19259 3022 1 14 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.491 0.907 19259 3023 1 14 . 1 1 9 9 GLU H H 9 8.432 8.432 8.365 0.067 19259 3024 1 14 . 1 1 10 10 LYS N N 10 123.906 123.906 121.246 2.660 19259 3025 1 14 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.338 -0.016 19259 3026 1 14 . 1 1 10 10 LYS C C 10 176.291 176.291 176.163 0.128 19259 3027 1 14 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.143 1.252 19259 3028 1 14 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.084 1.549 19259 3029 1 14 . 1 1 10 10 LYS H H 10 8.355 8.355 7.709 0.646 19259 3030 1 14 . 1 1 11 11 LEU N N 11 125.459 125.459 127.205 -1.746 19259 3031 1 14 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.119 0.583 19259 3032 1 14 . 1 1 11 11 LEU C C 11 174.150 174.150 175.885 -1.735 19259 3033 1 14 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.093 -0.435 19259 3034 1 14 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.457 1.993 19259 3035 1 14 . 1 1 11 11 LEU H H 11 8.640 8.640 8.030 0.610 19259 3036 1 14 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.642 0.242 19259 3037 1 14 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.294 0.252 19259 3038 1 14 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.906 -1.042 19259 3039 1 14 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.265 0.123 19259 3040 1 14 . 1 1 13 13 PRO C C 13 177.111 177.111 177.287 -0.176 19259 3041 1 14 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.133 0.262 19259 3042 1 14 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.144 0.873 19259 3043 1 14 . 1 1 14 14 GLY N N 14 111.924 111.924 110.581 1.343 19259 3044 1 14 . 1 1 14 14 GLY C C 14 172.870 172.870 173.324 -0.454 19259 3045 1 14 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.400 0.603 19259 3046 1 14 . 1 1 14 14 GLY H H 14 8.807 8.807 8.582 0.225 19259 3047 1 14 . 1 1 15 15 TRP N N 15 117.136 117.136 120.936 -3.800 19259 3048 1 14 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.241 0.085 19259 3049 1 14 . 1 1 15 15 TRP C C 15 176.588 176.588 176.428 0.160 19259 3050 1 14 . 1 1 15 15 TRP CA C 15 57.191 57.191 56.845 0.346 19259 3051 1 14 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.636 1.963 19259 3052 1 14 . 1 1 15 15 TRP H H 15 7.409 7.409 7.975 -0.566 19259 3053 1 14 . 1 1 16 16 GLU N N 16 120.872 120.872 121.794 -0.922 19259 3054 1 14 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.787 0.088 19259 3055 1 14 . 1 1 16 16 GLU C C 16 174.090 174.090 175.054 -0.964 19259 3056 1 14 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.872 -0.071 19259 3057 1 14 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.249 0.469 19259 3058 1 14 . 1 1 16 16 GLU H H 16 9.858 9.858 9.063 0.795 19259 3059 1 14 . 1 1 17 17 LYS N N 17 125.521 125.521 126.828 -1.307 19259 3060 1 14 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.791 -0.338 19259 3061 1 14 . 1 1 17 17 LYS C C 17 175.474 175.474 176.137 -0.663 19259 3062 1 14 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.706 -0.465 19259 3063 1 14 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.087 0.890 19259 3064 1 14 . 1 1 17 17 LYS H H 17 8.980 8.980 8.764 0.216 19259 3065 1 14 . 1 1 18 18 ARG N N 18 127.083 127.083 125.639 1.444 19259 3066 1 14 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.549 -0.096 19259 3067 1 14 . 1 1 18 18 ARG C C 18 173.135 173.135 173.354 -0.219 19259 3068 1 14 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.705 0.907 19259 3069 1 14 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.988 0.640 19259 3070 1 14 . 1 1 18 18 ARG H H 18 8.829 8.829 8.726 0.103 19259 3071 1 14 . 1 1 19 19 MET N N 19 117.317 117.317 119.248 -1.931 19259 3072 1 14 . 1 1 19 19 MET HA H 19 5.027 5.027 5.122 -0.095 19259 3073 1 14 . 1 1 19 19 MET C C 19 176.132 176.132 174.859 1.273 19259 3074 1 14 . 1 1 19 19 MET CA C 19 54.195 54.195 54.371 -0.176 19259 3075 1 14 . 1 1 19 19 MET CB C 19 35.215 35.215 36.318 -1.103 19259 3076 1 14 . 1 1 19 19 MET H H 19 8.131 8.131 8.398 -0.267 19259 3077 1 14 . 1 1 20 20 GLU N N 20 129.506 129.506 124.677 4.829 19259 3078 1 14 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.398 0.191 19259 3079 1 14 . 1 1 20 20 GLU C C 20 176.857 176.857 177.192 -0.335 19259 3080 1 14 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.750 -0.161 19259 3081 1 14 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.967 -0.808 19259 3082 1 14 . 1 1 20 20 GLU H H 20 9.531 9.531 8.786 0.745 19259 3083 1 14 . 1 1 21 21 ARG N N 21 129.016 129.016 125.605 3.411 19259 3084 1 14 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.150 -0.157 19259 3085 1 14 . 1 1 21 21 ARG CA C 21 59.608 59.608 57.930 1.678 19259 3086 1 14 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.226 -0.134 19259 3087 1 14 . 1 1 21 21 ARG H H 21 8.991 8.991 8.740 0.251 19259 3088 1 14 . 1 1 22 22 SER HA H 22 4.244 4.244 4.313 -0.069 19259 3089 1 14 . 1 1 22 22 SER CA C 22 61.081 61.081 60.929 0.152 19259 3090 1 14 . 1 1 22 22 SER CB C 22 62.480 62.480 63.523 -1.043 19259 3091 1 14 . 1 1 23 23 SER N N 23 114.105 114.105 114.327 -0.222 19259 3092 1 14 . 1 1 23 23 SER HA H 23 4.628 4.628 4.547 0.081 19259 3093 1 14 . 1 1 23 23 SER C C 23 176.288 176.288 174.424 1.864 19259 3094 1 14 . 1 1 23 23 SER CA C 23 58.442 58.442 58.449 -0.007 19259 3095 1 14 . 1 1 23 23 SER CB C 23 65.782 65.782 64.235 1.547 19259 3096 1 14 . 1 1 23 23 SER H H 23 7.884 7.884 8.090 -0.206 19259 3097 1 14 . 1 1 24 24 GLY N N 24 113.237 113.237 110.694 2.543 19259 3098 1 14 . 1 1 24 24 GLY C C 24 173.669 173.669 173.212 0.457 19259 3099 1 14 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.106 1.042 19259 3100 1 14 . 1 1 24 24 GLY H H 24 8.434 8.434 7.886 0.548 19259 3101 1 14 . 1 1 25 25 ARG N N 25 120.269 120.269 120.065 0.204 19259 3102 1 14 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.810 -0.405 19259 3103 1 14 . 1 1 25 25 ARG C C 25 175.948 175.948 175.548 0.400 19259 3104 1 14 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.088 2.797 19259 3105 1 14 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.532 0.188 19259 3106 1 14 . 1 1 25 25 ARG H H 25 8.058 8.058 7.841 0.217 19259 3107 1 14 . 1 1 26 26 VAL N N 26 124.651 124.651 127.725 -3.074 19259 3108 1 14 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.657 0.085 19259 3109 1 14 . 1 1 26 26 VAL C C 26 175.406 175.406 175.910 -0.504 19259 3110 1 14 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.554 -0.388 19259 3111 1 14 . 1 1 26 26 VAL CB C 26 33.116 33.116 31.787 1.329 19259 3112 1 14 . 1 1 26 26 VAL H H 26 8.508 8.508 8.805 -0.297 19259 3113 1 14 . 1 1 27 27 TYR N N 27 121.966 121.966 122.355 -0.389 19259 3114 1 14 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.479 0.403 19259 3115 1 14 . 1 1 27 27 TYR C C 27 170.726 170.726 172.449 -1.723 19259 3116 1 14 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.751 -0.295 19259 3117 1 14 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.251 0.437 19259 3118 1 14 . 1 1 27 27 TYR H H 27 8.664 8.664 8.754 -0.090 19259 3119 1 14 . 1 1 28 28 TYR N N 28 116.945 116.945 116.602 0.343 19259 3120 1 14 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.307 -0.036 19259 3121 1 14 . 1 1 28 28 TYR C C 28 174.230 174.230 174.694 -0.464 19259 3122 1 14 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.805 1.401 19259 3123 1 14 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.373 -0.025 19259 3124 1 14 . 1 1 28 28 TYR H H 28 9.005 9.005 9.001 0.004 19259 3125 1 14 . 1 1 29 29 PHE N N 29 124.745 124.745 122.812 1.933 19259 3126 1 14 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.187 0.422 19259 3127 1 14 . 1 1 29 29 PHE C C 29 172.658 172.658 173.642 -0.984 19259 3128 1 14 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.517 -0.505 19259 3129 1 14 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.448 0.989 19259 3130 1 14 . 1 1 29 29 PHE H H 29 9.452 9.452 9.512 -0.060 19259 3131 1 14 . 1 1 30 30 ASN N N 30 128.963 128.963 126.390 2.573 19259 3132 1 14 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.449 -0.003 19259 3133 1 14 . 1 1 30 30 ASN C C 30 174.664 174.664 175.907 -1.243 19259 3134 1 14 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.587 0.032 19259 3135 1 14 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.327 0.846 19259 3136 1 14 . 1 1 30 30 ASN H H 30 8.122 8.122 7.948 0.174 19259 3137 1 14 . 1 1 31 31 HIS N N 31 121.463 121.463 125.064 -3.601 19259 3138 1 14 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.638 -0.520 19259 3139 1 14 . 1 1 31 31 HIS C C 31 176.235 176.235 176.303 -0.068 19259 3140 1 14 . 1 1 31 31 HIS CA C 31 57.859 57.859 58.021 -0.162 19259 3141 1 14 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.721 0.750 19259 3142 1 14 . 1 1 31 31 HIS H H 31 8.207 8.207 9.046 -0.839 19259 3143 1 14 . 1 1 32 32 ILE N N 32 121.544 121.544 119.708 1.836 19259 3144 1 14 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.825 0.036 19259 3145 1 14 . 1 1 32 32 ILE C C 32 178.224 178.224 177.249 0.975 19259 3146 1 14 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.881 -0.470 19259 3147 1 14 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.250 -1.052 19259 3148 1 14 . 1 1 32 32 ILE H H 32 8.264 8.264 7.729 0.535 19259 3149 1 14 . 1 1 33 33 THR N N 33 107.975 107.975 112.177 -4.202 19259 3150 1 14 . 1 1 33 33 THR HA H 33 4.119 4.119 4.313 -0.194 19259 3151 1 14 . 1 1 33 33 THR C C 33 176.113 176.113 174.348 1.765 19259 3152 1 14 . 1 1 33 33 THR CA C 33 61.307 61.307 61.071 0.236 19259 3153 1 14 . 1 1 33 33 THR CB C 33 70.083 70.083 69.531 0.552 19259 3154 1 14 . 1 1 33 33 THR H H 33 7.434 7.434 7.390 0.044 19259 3155 1 14 . 1 1 34 34 ASN N N 34 118.294 118.294 116.760 1.534 19259 3156 1 14 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.318 -0.196 19259 3157 1 14 . 1 1 34 34 ASN C C 34 173.358 173.358 173.812 -0.454 19259 3158 1 14 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.058 0.990 19259 3159 1 14 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.536 0.064 19259 3160 1 14 . 1 1 34 34 ASN H H 34 8.094 8.094 7.928 0.166 19259 3161 1 14 . 1 1 35 35 ALA N N 35 121.778 121.778 121.157 0.621 19259 3162 1 14 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.486 -0.033 19259 3163 1 14 . 1 1 35 35 ALA C C 35 175.421 175.421 175.208 0.213 19259 3164 1 14 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.193 0.864 19259 3165 1 14 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.769 0.105 19259 3166 1 14 . 1 1 35 35 ALA H H 35 7.132 7.132 7.289 -0.157 19259 3167 1 14 . 1 1 36 36 SER N N 36 112.243 112.243 111.827 0.416 19259 3168 1 14 . 1 1 36 36 SER HA H 36 6.027 6.027 5.112 0.915 19259 3169 1 14 . 1 1 36 36 SER C C 36 174.068 174.068 173.287 0.781 19259 3170 1 14 . 1 1 36 36 SER CA C 36 56.932 56.932 57.422 -0.490 19259 3171 1 14 . 1 1 36 36 SER CB C 36 66.691 66.691 65.878 0.813 19259 3172 1 14 . 1 1 36 36 SER H H 36 8.293 8.293 8.273 0.020 19259 3173 1 14 . 1 1 37 37 GLN N N 37 116.909 116.909 118.396 -1.487 19259 3174 1 14 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.638 0.224 19259 3175 1 14 . 1 1 37 37 GLN C C 37 174.646 174.646 174.449 0.197 19259 3176 1 14 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.766 -0.988 19259 3177 1 14 . 1 1 37 37 GLN CB C 37 32.052 32.052 33.303 -1.251 19259 3178 1 14 . 1 1 37 37 GLN H H 37 9.371 9.371 8.902 0.469 19259 3179 1 14 . 1 1 38 38 TRP N N 38 120.433 120.433 119.756 0.677 19259 3180 1 14 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.720 0.265 19259 3181 1 14 . 1 1 38 38 TRP C C 38 177.071 177.071 176.785 0.286 19259 3182 1 14 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.555 1.263 19259 3183 1 14 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.584 0.040 19259 3184 1 14 . 1 1 38 38 TRP H H 38 8.547 8.547 9.024 -0.477 19259 3185 1 14 . 1 1 39 39 GLU N N 39 117.074 117.074 120.186 -3.112 19259 3186 1 14 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.439 0.012 19259 3187 1 14 . 1 1 39 39 GLU C C 39 175.702 175.702 176.565 -0.863 19259 3188 1 14 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.352 -0.560 19259 3189 1 14 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.322 0.009 19259 3190 1 14 . 1 1 39 39 GLU H H 39 8.065 8.065 7.963 0.102 19259 3191 1 14 . 1 1 40 40 ARG N N 40 125.177 125.177 124.134 1.043 19259 3192 1 14 . 1 1 40 40 ARG HA H 40 2.664 2.664 4.043 -1.379 19259 3193 1 14 . 1 1 40 40 ARG C C 40 174.604 174.604 174.578 0.026 19259 3194 1 14 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.116 -0.901 19259 3195 1 14 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.523 0.540 19259 3196 1 14 . 1 1 40 40 ARG H H 40 8.549 8.549 8.594 -0.045 19259 3197 1 14 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.016 -0.085 19259 3198 1 14 . 1 1 41 41 PRO C C 41 175.431 175.431 175.744 -0.313 19259 3199 1 14 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.968 0.001 19259 3200 1 14 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.241 0.121 19259 3201 1 14 . 1 1 42 42 SER N N 42 115.527 115.527 114.045 1.482 19259 3202 1 14 . 1 1 42 42 SER HA H 42 4.321 4.321 4.484 -0.163 19259 3203 1 14 . 1 1 42 42 SER C C 42 173.826 173.826 174.095 -0.269 19259 3204 1 14 . 1 1 42 42 SER CA C 42 57.886 57.886 57.805 0.081 19259 3205 1 14 . 1 1 42 42 SER CB C 42 64.524 64.524 63.675 0.849 19259 3206 1 14 . 1 1 42 42 SER H H 42 8.201 8.201 8.151 0.050 19259 3207 1 15 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.492 -0.129 19259 3208 1 15 . 1 1 2 2 LEU C C 2 177.746 177.746 177.807 -0.061 19259 3209 1 15 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.920 -0.317 19259 3210 1 15 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.368 -0.077 19259 3211 1 15 . 1 1 3 3 GLU N N 3 121.500 121.500 117.967 3.533 19259 3212 1 15 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.255 -0.009 19259 3213 1 15 . 1 1 3 3 GLU C C 3 176.318 176.318 176.195 0.123 19259 3214 1 15 . 1 1 3 3 GLU CA C 3 57.142 57.142 57.606 -0.464 19259 3215 1 15 . 1 1 3 3 GLU CB C 3 29.710 29.710 29.963 -0.253 19259 3216 1 15 . 1 1 3 3 GLU H H 3 8.898 8.898 8.371 0.527 19259 3217 1 15 . 1 1 4 4 HIS N N 4 120.262 120.262 112.465 7.797 19259 3218 1 15 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.733 -0.101 19259 3219 1 15 . 1 1 4 4 HIS C C 4 175.449 175.449 174.106 1.343 19259 3220 1 15 . 1 1 4 4 HIS CA C 4 56.614 56.614 54.596 2.018 19259 3221 1 15 . 1 1 4 4 HIS CB C 4 30.860 30.860 32.478 -1.618 19259 3222 1 15 . 1 1 4 4 HIS H H 4 8.307 8.307 7.140 1.167 19259 3223 1 15 . 1 1 5 5 MET N N 5 122.219 122.219 115.155 7.064 19259 3224 1 15 . 1 1 5 5 MET HA H 5 4.473 4.473 4.047 0.426 19259 3225 1 15 . 1 1 5 5 MET C C 5 175.854 175.854 175.009 0.845 19259 3226 1 15 . 1 1 5 5 MET CA C 5 55.366 55.366 56.440 -1.074 19259 3227 1 15 . 1 1 5 5 MET CB C 5 32.921 32.921 31.297 1.624 19259 3228 1 15 . 1 1 5 5 MET H H 5 8.241 8.241 8.952 -0.711 19259 3229 1 15 . 1 1 6 6 ALA N N 6 125.321 125.321 122.295 3.026 19259 3230 1 15 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.146 0.172 19259 3231 1 15 . 1 1 6 6 ALA C C 6 177.612 177.612 176.940 0.672 19259 3232 1 15 . 1 1 6 6 ALA CA C 6 52.695 52.695 52.501 0.194 19259 3233 1 15 . 1 1 6 6 ALA CB C 6 19.305 19.305 19.139 0.166 19259 3234 1 15 . 1 1 6 6 ALA H H 6 8.388 8.388 7.666 0.722 19259 3235 1 15 . 1 1 7 7 ASP N N 7 119.856 119.856 123.053 -3.197 19259 3236 1 15 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.447 0.151 19259 3237 1 15 . 1 1 7 7 ASP C C 7 176.539 176.539 177.668 -1.129 19259 3238 1 15 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.139 -0.557 19259 3239 1 15 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.588 -0.360 19259 3240 1 15 . 1 1 7 7 ASP H H 7 8.389 8.389 8.705 -0.316 19259 3241 1 15 . 1 1 8 8 GLU N N 8 121.214 121.214 120.259 0.955 19259 3242 1 15 . 1 1 8 8 GLU HA H 8 4.283 4.283 3.944 0.339 19259 3243 1 15 . 1 1 8 8 GLU C C 8 176.568 176.568 177.245 -0.677 19259 3244 1 15 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.490 -1.712 19259 3245 1 15 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.539 1.836 19259 3246 1 15 . 1 1 8 8 GLU H H 8 8.418 8.418 8.679 -0.261 19259 3247 1 15 . 1 1 9 9 GLU N N 9 122.013 122.013 119.440 2.573 19259 3248 1 15 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.193 0.070 19259 3249 1 15 . 1 1 9 9 GLU C C 9 176.229 176.229 176.527 -0.298 19259 3250 1 15 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.449 -0.973 19259 3251 1 15 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.882 0.516 19259 3252 1 15 . 1 1 9 9 GLU H H 9 8.432 8.432 8.366 0.066 19259 3253 1 15 . 1 1 10 10 LYS N N 10 123.906 123.906 116.764 7.142 19259 3254 1 15 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.459 -0.137 19259 3255 1 15 . 1 1 10 10 LYS C C 10 176.291 176.291 174.964 1.327 19259 3256 1 15 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.263 1.132 19259 3257 1 15 . 1 1 10 10 LYS CB C 10 32.633 32.633 34.715 -2.082 19259 3258 1 15 . 1 1 10 10 LYS H H 10 8.355 8.355 7.579 0.776 19259 3259 1 15 . 1 1 11 11 LEU N N 11 125.459 125.459 123.248 2.211 19259 3260 1 15 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.235 0.467 19259 3261 1 15 . 1 1 11 11 LEU C C 11 174.150 174.150 176.237 -2.087 19259 3262 1 15 . 1 1 11 11 LEU CA C 11 52.658 52.658 54.035 -1.377 19259 3263 1 15 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.685 1.764 19259 3264 1 15 . 1 1 11 11 LEU H H 11 8.640 8.640 8.529 0.111 19259 3265 1 15 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.686 0.198 19259 3266 1 15 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.223 0.323 19259 3267 1 15 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.979 -1.115 19259 3268 1 15 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.306 0.082 19259 3269 1 15 . 1 1 13 13 PRO C C 13 177.111 177.111 177.272 -0.161 19259 3270 1 15 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.080 0.315 19259 3271 1 15 . 1 1 13 13 PRO CB C 13 32.017 32.017 30.998 1.019 19259 3272 1 15 . 1 1 14 14 GLY N N 14 111.924 111.924 111.016 0.908 19259 3273 1 15 . 1 1 14 14 GLY C C 14 172.870 172.870 173.507 -0.637 19259 3274 1 15 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.612 0.391 19259 3275 1 15 . 1 1 14 14 GLY H H 14 8.807 8.807 8.254 0.553 19259 3276 1 15 . 1 1 15 15 TRP N N 15 117.136 117.136 120.858 -3.722 19259 3277 1 15 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.167 0.159 19259 3278 1 15 . 1 1 15 15 TRP C C 15 176.588 176.588 175.941 0.647 19259 3279 1 15 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.187 0.005 19259 3280 1 15 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.889 1.710 19259 3281 1 15 . 1 1 15 15 TRP H H 15 7.409 7.409 7.901 -0.492 19259 3282 1 15 . 1 1 16 16 GLU N N 16 120.872 120.872 119.969 0.903 19259 3283 1 15 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.737 0.138 19259 3284 1 15 . 1 1 16 16 GLU C C 16 174.090 174.090 174.849 -0.759 19259 3285 1 15 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.743 0.058 19259 3286 1 15 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.236 0.482 19259 3287 1 15 . 1 1 16 16 GLU H H 16 9.858 9.858 8.865 0.993 19259 3288 1 15 . 1 1 17 17 LYS N N 17 125.521 125.521 126.337 -0.816 19259 3289 1 15 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.759 -0.306 19259 3290 1 15 . 1 1 17 17 LYS C C 17 175.474 175.474 176.076 -0.602 19259 3291 1 15 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.308 -0.067 19259 3292 1 15 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.411 0.566 19259 3293 1 15 . 1 1 17 17 LYS H H 17 8.980 8.980 8.759 0.221 19259 3294 1 15 . 1 1 18 18 ARG N N 18 127.083 127.083 125.404 1.679 19259 3295 1 15 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.610 -0.157 19259 3296 1 15 . 1 1 18 18 ARG C C 18 173.135 173.135 173.832 -0.697 19259 3297 1 15 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.548 1.063 19259 3298 1 15 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.420 1.208 19259 3299 1 15 . 1 1 18 18 ARG H H 18 8.829 8.829 8.530 0.299 19259 3300 1 15 . 1 1 19 19 MET N N 19 117.317 117.317 119.564 -2.247 19259 3301 1 15 . 1 1 19 19 MET HA H 19 5.027 5.027 5.139 -0.112 19259 3302 1 15 . 1 1 19 19 MET C C 19 176.132 176.132 174.839 1.293 19259 3303 1 15 . 1 1 19 19 MET CA C 19 54.195 54.195 54.673 -0.478 19259 3304 1 15 . 1 1 19 19 MET CB C 19 35.215 35.215 36.623 -1.407 19259 3305 1 15 . 1 1 19 19 MET H H 19 8.131 8.131 8.369 -0.238 19259 3306 1 15 . 1 1 20 20 GLU N N 20 129.506 129.506 125.420 4.086 19259 3307 1 15 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.310 0.279 19259 3308 1 15 . 1 1 20 20 GLU C C 20 176.857 176.857 176.746 0.111 19259 3309 1 15 . 1 1 20 20 GLU CA C 20 56.589 56.589 57.078 -0.489 19259 3310 1 15 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.430 -0.271 19259 3311 1 15 . 1 1 20 20 GLU H H 20 9.531 9.531 9.198 0.333 19259 3312 1 15 . 1 1 21 21 ARG N N 21 129.016 129.016 126.028 2.988 19259 3313 1 15 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.102 -0.109 19259 3314 1 15 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.313 1.294 19259 3315 1 15 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.715 0.377 19259 3316 1 15 . 1 1 21 21 ARG H H 21 8.991 8.991 8.657 0.334 19259 3317 1 15 . 1 1 22 22 SER HA H 22 4.244 4.244 4.324 -0.080 19259 3318 1 15 . 1 1 22 22 SER CA C 22 61.081 61.081 60.553 0.528 19259 3319 1 15 . 1 1 22 22 SER CB C 22 62.480 62.480 63.134 -0.654 19259 3320 1 15 . 1 1 23 23 SER N N 23 114.105 114.105 113.218 0.887 19259 3321 1 15 . 1 1 23 23 SER HA H 23 4.628 4.628 4.569 0.059 19259 3322 1 15 . 1 1 23 23 SER C C 23 176.288 176.288 174.406 1.882 19259 3323 1 15 . 1 1 23 23 SER CA C 23 58.442 58.442 58.631 -0.189 19259 3324 1 15 . 1 1 23 23 SER CB C 23 65.782 65.782 65.838 -0.056 19259 3325 1 15 . 1 1 23 23 SER H H 23 7.884 7.884 7.745 0.139 19259 3326 1 15 . 1 1 24 24 GLY N N 24 113.237 113.237 111.751 1.486 19259 3327 1 15 . 1 1 24 24 GLY C C 24 173.669 173.669 173.054 0.615 19259 3328 1 15 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.066 1.082 19259 3329 1 15 . 1 1 24 24 GLY H H 24 8.434 8.434 8.456 -0.022 19259 3330 1 15 . 1 1 25 25 ARG N N 25 120.269 120.269 120.526 -0.257 19259 3331 1 15 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.811 -0.406 19259 3332 1 15 . 1 1 25 25 ARG C C 25 175.948 175.948 175.576 0.372 19259 3333 1 15 . 1 1 25 25 ARG CA C 25 56.885 56.885 53.949 2.936 19259 3334 1 15 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.632 0.088 19259 3335 1 15 . 1 1 25 25 ARG H H 25 8.058 8.058 7.685 0.373 19259 3336 1 15 . 1 1 26 26 VAL N N 26 124.651 124.651 127.301 -2.650 19259 3337 1 15 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.548 0.194 19259 3338 1 15 . 1 1 26 26 VAL C C 26 175.406 175.406 175.950 -0.544 19259 3339 1 15 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.633 -1.467 19259 3340 1 15 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.210 0.906 19259 3341 1 15 . 1 1 26 26 VAL H H 26 8.508 8.508 8.778 -0.270 19259 3342 1 15 . 1 1 27 27 TYR N N 27 121.966 121.966 121.785 0.181 19259 3343 1 15 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.476 0.406 19259 3344 1 15 . 1 1 27 27 TYR C C 27 170.726 170.726 172.809 -2.083 19259 3345 1 15 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.848 -0.393 19259 3346 1 15 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.128 0.560 19259 3347 1 15 . 1 1 27 27 TYR H H 27 8.664 8.664 8.562 0.102 19259 3348 1 15 . 1 1 28 28 TYR N N 28 116.945 116.945 116.467 0.478 19259 3349 1 15 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.440 -0.169 19259 3350 1 15 . 1 1 28 28 TYR C C 28 174.230 174.230 174.575 -0.345 19259 3351 1 15 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.771 1.435 19259 3352 1 15 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.741 -0.393 19259 3353 1 15 . 1 1 28 28 TYR H H 28 9.005 9.005 8.940 0.065 19259 3354 1 15 . 1 1 29 29 PHE N N 29 124.745 124.745 122.440 2.305 19259 3355 1 15 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.179 0.430 19259 3356 1 15 . 1 1 29 29 PHE C C 29 172.658 172.658 173.470 -0.812 19259 3357 1 15 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.629 -0.617 19259 3358 1 15 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.594 0.843 19259 3359 1 15 . 1 1 29 29 PHE H H 29 9.452 9.452 9.642 -0.190 19259 3360 1 15 . 1 1 30 30 ASN N N 30 128.963 128.963 126.111 2.852 19259 3361 1 15 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.601 -0.155 19259 3362 1 15 . 1 1 30 30 ASN C C 30 174.664 174.664 175.734 -1.070 19259 3363 1 15 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.825 -0.206 19259 3364 1 15 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.873 0.300 19259 3365 1 15 . 1 1 30 30 ASN H H 30 8.122 8.122 7.979 0.143 19259 3366 1 15 . 1 1 31 31 HIS N N 31 121.463 121.463 125.235 -3.772 19259 3367 1 15 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.732 -0.614 19259 3368 1 15 . 1 1 31 31 HIS C C 31 176.235 176.235 176.423 -0.188 19259 3369 1 15 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.975 -0.116 19259 3370 1 15 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.871 0.600 19259 3371 1 15 . 1 1 31 31 HIS H H 31 8.207 8.207 8.813 -0.606 19259 3372 1 15 . 1 1 32 32 ILE N N 32 121.544 121.544 120.127 1.417 19259 3373 1 15 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.736 0.125 19259 3374 1 15 . 1 1 32 32 ILE C C 32 178.224 178.224 177.264 0.960 19259 3375 1 15 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.831 -0.421 19259 3376 1 15 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.096 -0.898 19259 3377 1 15 . 1 1 32 32 ILE H H 32 8.264 8.264 8.145 0.119 19259 3378 1 15 . 1 1 33 33 THR N N 33 107.975 107.975 111.883 -3.908 19259 3379 1 15 . 1 1 33 33 THR HA H 33 4.119 4.119 4.262 -0.143 19259 3380 1 15 . 1 1 33 33 THR C C 33 176.113 176.113 174.435 1.678 19259 3381 1 15 . 1 1 33 33 THR CA C 33 61.307 61.307 60.874 0.433 19259 3382 1 15 . 1 1 33 33 THR CB C 33 70.083 70.083 69.460 0.623 19259 3383 1 15 . 1 1 33 33 THR H H 33 7.434 7.434 7.445 -0.011 19259 3384 1 15 . 1 1 34 34 ASN N N 34 118.294 118.294 117.962 0.332 19259 3385 1 15 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.232 -0.110 19259 3386 1 15 . 1 1 34 34 ASN C C 34 173.358 173.358 173.425 -0.067 19259 3387 1 15 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.449 0.599 19259 3388 1 15 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.319 0.281 19259 3389 1 15 . 1 1 34 34 ASN H H 34 8.094 8.094 7.829 0.265 19259 3390 1 15 . 1 1 35 35 ALA N N 35 121.778 121.778 119.925 1.853 19259 3391 1 15 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.495 -0.042 19259 3392 1 15 . 1 1 35 35 ALA C C 35 175.421 175.421 175.312 0.109 19259 3393 1 15 . 1 1 35 35 ALA CA C 35 52.057 52.057 50.982 1.075 19259 3394 1 15 . 1 1 35 35 ALA CB C 35 20.874 20.874 21.278 -0.404 19259 3395 1 15 . 1 1 35 35 ALA H H 35 7.132 7.132 7.348 -0.216 19259 3396 1 15 . 1 1 36 36 SER N N 36 112.243 112.243 112.119 0.124 19259 3397 1 15 . 1 1 36 36 SER HA H 36 6.027 6.027 5.073 0.954 19259 3398 1 15 . 1 1 36 36 SER C C 36 174.068 174.068 173.495 0.573 19259 3399 1 15 . 1 1 36 36 SER CA C 36 56.932 56.932 57.906 -0.974 19259 3400 1 15 . 1 1 36 36 SER CB C 36 66.691 66.691 66.263 0.428 19259 3401 1 15 . 1 1 36 36 SER H H 36 8.293 8.293 8.194 0.099 19259 3402 1 15 . 1 1 37 37 GLN N N 37 116.909 116.909 119.412 -2.503 19259 3403 1 15 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.773 0.089 19259 3404 1 15 . 1 1 37 37 GLN C C 37 174.646 174.646 174.243 0.403 19259 3405 1 15 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.695 -0.917 19259 3406 1 15 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.568 -0.516 19259 3407 1 15 . 1 1 37 37 GLN H H 37 9.371 9.371 9.117 0.255 19259 3408 1 15 . 1 1 38 38 TRP N N 38 120.433 120.433 120.489 -0.056 19259 3409 1 15 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.821 0.164 19259 3410 1 15 . 1 1 38 38 TRP C C 38 177.071 177.071 176.086 0.985 19259 3411 1 15 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.487 1.331 19259 3412 1 15 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.532 0.092 19259 3413 1 15 . 1 1 38 38 TRP H H 38 8.547 8.547 9.052 -0.505 19259 3414 1 15 . 1 1 39 39 GLU N N 39 117.074 117.074 119.190 -2.116 19259 3415 1 15 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.554 -0.103 19259 3416 1 15 . 1 1 39 39 GLU C C 39 175.702 175.702 176.379 -0.677 19259 3417 1 15 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.399 0.393 19259 3418 1 15 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.504 -0.173 19259 3419 1 15 . 1 1 39 39 GLU H H 39 8.065 8.065 8.005 0.060 19259 3420 1 15 . 1 1 40 40 ARG N N 40 125.177 125.177 122.174 3.003 19259 3421 1 15 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.734 -1.070 19259 3422 1 15 . 1 1 40 40 ARG C C 40 174.604 174.604 174.755 -0.151 19259 3423 1 15 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.684 -1.469 19259 3424 1 15 . 1 1 40 40 ARG CB C 40 30.063 30.063 28.936 1.127 19259 3425 1 15 . 1 1 40 40 ARG H H 40 8.549 8.549 8.665 -0.116 19259 3426 1 15 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.102 -0.171 19259 3427 1 15 . 1 1 41 41 PRO C C 41 175.431 175.431 175.584 -0.153 19259 3428 1 15 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.775 0.194 19259 3429 1 15 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.340 0.022 19259 3430 1 15 . 1 1 42 42 SER N N 42 115.527 115.527 114.078 1.449 19259 3431 1 15 . 1 1 42 42 SER HA H 42 4.321 4.321 4.433 -0.112 19259 3432 1 15 . 1 1 42 42 SER C C 42 173.826 173.826 173.934 -0.108 19259 3433 1 15 . 1 1 42 42 SER CA C 42 57.886 57.886 58.036 -0.150 19259 3434 1 15 . 1 1 42 42 SER CB C 42 64.524 64.524 63.004 1.520 19259 3435 1 15 . 1 1 42 42 SER H H 42 8.201 8.201 8.185 0.016 19259 3436 1 16 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.818 -0.455 19259 3437 1 16 . 1 1 2 2 LEU C C 2 177.746 177.746 175.462 2.284 19259 3438 1 16 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.657 0.945 19259 3439 1 16 . 1 1 2 2 LEU CB C 2 42.291 42.291 43.735 -1.444 19259 3440 1 16 . 1 1 3 3 GLU N N 3 121.500 121.500 120.094 1.406 19259 3441 1 16 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.538 -0.292 19259 3442 1 16 . 1 1 3 3 GLU C C 3 176.318 176.318 175.579 0.739 19259 3443 1 16 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.904 1.238 19259 3444 1 16 . 1 1 3 3 GLU CB C 3 29.710 29.710 31.624 -1.914 19259 3445 1 16 . 1 1 3 3 GLU H H 3 8.898 8.898 8.687 0.211 19259 3446 1 16 . 1 1 4 4 HIS N N 4 120.262 120.262 120.420 -0.158 19259 3447 1 16 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.650 -0.018 19259 3448 1 16 . 1 1 4 4 HIS C C 4 175.449 175.449 175.616 -0.167 19259 3449 1 16 . 1 1 4 4 HIS CA C 4 56.614 56.614 57.517 -0.904 19259 3450 1 16 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.503 0.357 19259 3451 1 16 . 1 1 4 4 HIS H H 4 8.307 8.307 8.663 -0.356 19259 3452 1 16 . 1 1 5 5 MET N N 5 122.219 122.219 119.600 2.619 19259 3453 1 16 . 1 1 5 5 MET HA H 5 4.473 4.473 4.593 -0.120 19259 3454 1 16 . 1 1 5 5 MET C C 5 175.854 175.854 175.094 0.760 19259 3455 1 16 . 1 1 5 5 MET CA C 5 55.366 55.366 55.024 0.342 19259 3456 1 16 . 1 1 5 5 MET CB C 5 32.921 32.921 31.944 0.977 19259 3457 1 16 . 1 1 5 5 MET H H 5 8.241 8.241 8.153 0.088 19259 3458 1 16 . 1 1 6 6 ALA N N 6 125.321 125.321 127.227 -1.906 19259 3459 1 16 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.649 -0.331 19259 3460 1 16 . 1 1 6 6 ALA C C 6 177.612 177.612 175.556 2.056 19259 3461 1 16 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.748 0.947 19259 3462 1 16 . 1 1 6 6 ALA CB C 6 19.305 19.305 20.773 -1.468 19259 3463 1 16 . 1 1 6 6 ALA H H 6 8.388 8.388 8.471 -0.083 19259 3464 1 16 . 1 1 7 7 ASP N N 7 119.856 119.856 118.627 1.229 19259 3465 1 16 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.581 0.017 19259 3466 1 16 . 1 1 7 7 ASP C C 7 176.539 176.539 176.882 -0.343 19259 3467 1 16 . 1 1 7 7 ASP CA C 7 54.582 54.582 54.556 0.026 19259 3468 1 16 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.706 -0.478 19259 3469 1 16 . 1 1 7 7 ASP H H 7 8.389 8.389 8.758 -0.369 19259 3470 1 16 . 1 1 8 8 GLU N N 8 121.214 121.214 121.039 0.175 19259 3471 1 16 . 1 1 8 8 GLU HA H 8 4.283 4.283 3.983 0.300 19259 3472 1 16 . 1 1 8 8 GLU C C 8 176.568 176.568 177.688 -1.120 19259 3473 1 16 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.573 -1.795 19259 3474 1 16 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.716 1.659 19259 3475 1 16 . 1 1 8 8 GLU H H 8 8.418 8.418 8.744 -0.326 19259 3476 1 16 . 1 1 9 9 GLU N N 9 122.013 122.013 118.754 3.259 19259 3477 1 16 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.229 0.034 19259 3478 1 16 . 1 1 9 9 GLU C C 9 176.229 176.229 177.090 -0.861 19259 3479 1 16 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.465 -0.989 19259 3480 1 16 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.498 0.900 19259 3481 1 16 . 1 1 9 9 GLU H H 9 8.432 8.432 8.502 -0.070 19259 3482 1 16 . 1 1 10 10 LYS N N 10 123.906 123.906 121.171 2.735 19259 3483 1 16 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.274 0.048 19259 3484 1 16 . 1 1 10 10 LYS C C 10 176.291 176.291 176.507 -0.216 19259 3485 1 16 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.894 1.501 19259 3486 1 16 . 1 1 10 10 LYS CB C 10 32.633 32.633 30.623 2.010 19259 3487 1 16 . 1 1 10 10 LYS H H 10 8.355 8.355 7.709 0.646 19259 3488 1 16 . 1 1 11 11 LEU N N 11 125.459 125.459 124.731 0.728 19259 3489 1 16 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.099 0.603 19259 3490 1 16 . 1 1 11 11 LEU C C 11 174.150 174.150 175.900 -1.750 19259 3491 1 16 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.301 -0.643 19259 3492 1 16 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.352 2.098 19259 3493 1 16 . 1 1 11 11 LEU H H 11 8.640 8.640 7.688 0.952 19259 3494 1 16 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.685 0.199 19259 3495 1 16 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.338 0.208 19259 3496 1 16 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.816 -0.952 19259 3497 1 16 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.317 0.071 19259 3498 1 16 . 1 1 13 13 PRO C C 13 177.111 177.111 177.876 -0.765 19259 3499 1 16 . 1 1 13 13 PRO CA C 13 64.395 64.395 63.719 0.676 19259 3500 1 16 . 1 1 13 13 PRO CB C 13 32.017 32.017 32.083 -0.066 19259 3501 1 16 . 1 1 14 14 GLY N N 14 111.924 111.924 108.425 3.499 19259 3502 1 16 . 1 1 14 14 GLY C C 14 172.870 172.870 173.633 -0.763 19259 3503 1 16 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.955 0.048 19259 3504 1 16 . 1 1 14 14 GLY H H 14 8.807 8.807 8.646 0.161 19259 3505 1 16 . 1 1 15 15 TRP N N 15 117.136 117.136 120.788 -3.652 19259 3506 1 16 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.209 0.117 19259 3507 1 16 . 1 1 15 15 TRP C C 15 176.588 176.588 176.503 0.085 19259 3508 1 16 . 1 1 15 15 TRP CA C 15 57.191 57.191 56.842 0.349 19259 3509 1 16 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.722 1.877 19259 3510 1 16 . 1 1 15 15 TRP H H 15 7.409 7.409 7.565 -0.156 19259 3511 1 16 . 1 1 16 16 GLU N N 16 120.872 120.872 120.651 0.221 19259 3512 1 16 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.834 0.041 19259 3513 1 16 . 1 1 16 16 GLU C C 16 174.090 174.090 175.192 -1.102 19259 3514 1 16 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.172 -0.371 19259 3515 1 16 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.561 0.157 19259 3516 1 16 . 1 1 16 16 GLU H H 16 9.858 9.858 9.269 0.589 19259 3517 1 16 . 1 1 17 17 LYS N N 17 125.521 125.521 127.155 -1.634 19259 3518 1 16 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.867 -0.414 19259 3519 1 16 . 1 1 17 17 LYS C C 17 175.474 175.474 176.116 -0.642 19259 3520 1 16 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.686 -0.445 19259 3521 1 16 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.117 0.860 19259 3522 1 16 . 1 1 17 17 LYS H H 17 8.980 8.980 8.783 0.197 19259 3523 1 16 . 1 1 18 18 ARG N N 18 127.083 127.083 125.407 1.676 19259 3524 1 16 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.684 -0.231 19259 3525 1 16 . 1 1 18 18 ARG C C 18 173.135 173.135 173.734 -0.599 19259 3526 1 16 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.633 0.979 19259 3527 1 16 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.977 0.651 19259 3528 1 16 . 1 1 18 18 ARG H H 18 8.829 8.829 8.728 0.101 19259 3529 1 16 . 1 1 19 19 MET N N 19 117.317 117.317 119.457 -2.140 19259 3530 1 16 . 1 1 19 19 MET HA H 19 5.027 5.027 5.236 -0.209 19259 3531 1 16 . 1 1 19 19 MET C C 19 176.132 176.132 174.897 1.235 19259 3532 1 16 . 1 1 19 19 MET CA C 19 54.195 54.195 54.465 -0.270 19259 3533 1 16 . 1 1 19 19 MET CB C 19 35.215 35.215 36.772 -1.556 19259 3534 1 16 . 1 1 19 19 MET H H 19 8.131 8.131 8.380 -0.249 19259 3535 1 16 . 1 1 20 20 GLU N N 20 129.506 129.506 124.933 4.573 19259 3536 1 16 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.450 0.139 19259 3537 1 16 . 1 1 20 20 GLU C C 20 176.857 176.857 177.229 -0.372 19259 3538 1 16 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.566 0.023 19259 3539 1 16 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.455 -0.296 19259 3540 1 16 . 1 1 20 20 GLU H H 20 9.531 9.531 8.928 0.603 19259 3541 1 16 . 1 1 21 21 ARG N N 21 129.016 129.016 124.713 4.303 19259 3542 1 16 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.152 -0.159 19259 3543 1 16 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.363 1.245 19259 3544 1 16 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.317 0.775 19259 3545 1 16 . 1 1 21 21 ARG H H 21 8.991 8.991 8.754 0.237 19259 3546 1 16 . 1 1 22 22 SER HA H 22 4.244 4.244 4.334 -0.090 19259 3547 1 16 . 1 1 22 22 SER CA C 22 61.081 61.081 60.290 0.791 19259 3548 1 16 . 1 1 22 22 SER CB C 22 62.480 62.480 63.060 -0.580 19259 3549 1 16 . 1 1 23 23 SER N N 23 114.105 114.105 114.274 -0.169 19259 3550 1 16 . 1 1 23 23 SER HA H 23 4.628 4.628 4.603 0.025 19259 3551 1 16 . 1 1 23 23 SER C C 23 176.288 176.288 174.167 2.121 19259 3552 1 16 . 1 1 23 23 SER CA C 23 58.442 58.442 58.414 0.028 19259 3553 1 16 . 1 1 23 23 SER CB C 23 65.782 65.782 66.240 -0.459 19259 3554 1 16 . 1 1 23 23 SER H H 23 7.884 7.884 7.628 0.256 19259 3555 1 16 . 1 1 24 24 GLY N N 24 113.237 113.237 111.818 1.419 19259 3556 1 16 . 1 1 24 24 GLY C C 24 173.669 173.669 173.434 0.235 19259 3557 1 16 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.461 0.687 19259 3558 1 16 . 1 1 24 24 GLY H H 24 8.434 8.434 8.367 0.067 19259 3559 1 16 . 1 1 25 25 ARG N N 25 120.269 120.269 120.950 -0.681 19259 3560 1 16 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.825 -0.420 19259 3561 1 16 . 1 1 25 25 ARG C C 25 175.948 175.948 175.310 0.638 19259 3562 1 16 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.241 2.644 19259 3563 1 16 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.457 -0.737 19259 3564 1 16 . 1 1 25 25 ARG H H 25 8.058 8.058 7.654 0.404 19259 3565 1 16 . 1 1 26 26 VAL N N 26 124.651 124.651 127.589 -2.938 19259 3566 1 16 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.702 0.040 19259 3567 1 16 . 1 1 26 26 VAL C C 26 175.406 175.406 175.657 -0.251 19259 3568 1 16 . 1 1 26 26 VAL CA C 26 62.166 62.166 63.181 -1.015 19259 3569 1 16 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.400 0.716 19259 3570 1 16 . 1 1 26 26 VAL H H 26 8.508 8.508 8.770 -0.262 19259 3571 1 16 . 1 1 27 27 TYR N N 27 121.966 121.966 120.617 1.349 19259 3572 1 16 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.469 0.413 19259 3573 1 16 . 1 1 27 27 TYR C C 27 170.726 170.726 172.077 -1.351 19259 3574 1 16 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.889 -0.434 19259 3575 1 16 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.718 0.970 19259 3576 1 16 . 1 1 27 27 TYR H H 27 8.664 8.664 8.651 0.013 19259 3577 1 16 . 1 1 28 28 TYR N N 28 116.945 116.945 116.839 0.106 19259 3578 1 16 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.372 -0.101 19259 3579 1 16 . 1 1 28 28 TYR C C 28 174.230 174.230 174.618 -0.388 19259 3580 1 16 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.746 1.460 19259 3581 1 16 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.126 0.222 19259 3582 1 16 . 1 1 28 28 TYR H H 28 9.005 9.005 8.865 0.140 19259 3583 1 16 . 1 1 29 29 PHE N N 29 124.745 124.745 122.937 1.808 19259 3584 1 16 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.197 0.412 19259 3585 1 16 . 1 1 29 29 PHE C C 29 172.658 172.658 173.355 -0.697 19259 3586 1 16 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.333 -0.321 19259 3587 1 16 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.464 0.973 19259 3588 1 16 . 1 1 29 29 PHE H H 29 9.452 9.452 9.512 -0.060 19259 3589 1 16 . 1 1 30 30 ASN N N 30 128.963 128.963 126.057 2.906 19259 3590 1 16 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.430 0.016 19259 3591 1 16 . 1 1 30 30 ASN C C 30 174.664 174.664 175.595 -0.931 19259 3592 1 16 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.691 -0.072 19259 3593 1 16 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.815 0.358 19259 3594 1 16 . 1 1 30 30 ASN H H 30 8.122 8.122 7.982 0.140 19259 3595 1 16 . 1 1 31 31 HIS N N 31 121.463 121.463 124.556 -3.093 19259 3596 1 16 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.461 -0.343 19259 3597 1 16 . 1 1 31 31 HIS C C 31 176.235 176.235 176.413 -0.178 19259 3598 1 16 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.733 0.126 19259 3599 1 16 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.695 0.776 19259 3600 1 16 . 1 1 31 31 HIS H H 31 8.207 8.207 8.747 -0.540 19259 3601 1 16 . 1 1 32 32 ILE N N 32 121.544 121.544 119.230 2.314 19259 3602 1 16 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.722 0.139 19259 3603 1 16 . 1 1 32 32 ILE C C 32 178.224 178.224 177.367 0.857 19259 3604 1 16 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.895 -0.484 19259 3605 1 16 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.128 -0.930 19259 3606 1 16 . 1 1 32 32 ILE H H 32 8.264 8.264 8.169 0.095 19259 3607 1 16 . 1 1 33 33 THR N N 33 107.975 107.975 112.156 -4.181 19259 3608 1 16 . 1 1 33 33 THR HA H 33 4.119 4.119 4.301 -0.182 19259 3609 1 16 . 1 1 33 33 THR C C 33 176.113 176.113 174.524 1.589 19259 3610 1 16 . 1 1 33 33 THR CA C 33 61.307 61.307 61.553 -0.246 19259 3611 1 16 . 1 1 33 33 THR CB C 33 70.083 70.083 69.388 0.695 19259 3612 1 16 . 1 1 33 33 THR H H 33 7.434 7.434 7.414 0.020 19259 3613 1 16 . 1 1 34 34 ASN N N 34 118.294 118.294 117.151 1.143 19259 3614 1 16 . 1 1 34 34 ASN HA H 34 4.122 4.122 3.955 0.167 19259 3615 1 16 . 1 1 34 34 ASN C C 34 173.358 173.358 173.905 -0.547 19259 3616 1 16 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.588 1.460 19259 3617 1 16 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.818 -0.218 19259 3618 1 16 . 1 1 34 34 ASN H H 34 8.094 8.094 8.119 -0.025 19259 3619 1 16 . 1 1 35 35 ALA N N 35 121.778 121.778 120.339 1.439 19259 3620 1 16 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.371 0.082 19259 3621 1 16 . 1 1 35 35 ALA C C 35 175.421 175.421 175.661 -0.240 19259 3622 1 16 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.948 0.109 19259 3623 1 16 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.229 0.645 19259 3624 1 16 . 1 1 35 35 ALA H H 35 7.132 7.132 7.120 0.012 19259 3625 1 16 . 1 1 36 36 SER N N 36 112.243 112.243 111.499 0.744 19259 3626 1 16 . 1 1 36 36 SER HA H 36 6.027 6.027 5.166 0.861 19259 3627 1 16 . 1 1 36 36 SER C C 36 174.068 174.068 173.559 0.509 19259 3628 1 16 . 1 1 36 36 SER CA C 36 56.932 56.932 58.028 -1.095 19259 3629 1 16 . 1 1 36 36 SER CB C 36 66.691 66.691 66.074 0.617 19259 3630 1 16 . 1 1 36 36 SER H H 36 8.293 8.293 8.245 0.048 19259 3631 1 16 . 1 1 37 37 GLN N N 37 116.909 116.909 119.733 -2.824 19259 3632 1 16 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.656 0.206 19259 3633 1 16 . 1 1 37 37 GLN C C 37 174.646 174.646 174.323 0.323 19259 3634 1 16 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.200 -0.422 19259 3635 1 16 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.330 -0.278 19259 3636 1 16 . 1 1 37 37 GLN H H 37 9.371 9.371 9.282 0.089 19259 3637 1 16 . 1 1 38 38 TRP N N 38 120.433 120.433 120.060 0.373 19259 3638 1 16 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.655 0.330 19259 3639 1 16 . 1 1 38 38 TRP C C 38 177.071 177.071 176.566 0.505 19259 3640 1 16 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.500 1.318 19259 3641 1 16 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.702 -0.078 19259 3642 1 16 . 1 1 38 38 TRP H H 38 8.547 8.547 8.830 -0.283 19259 3643 1 16 . 1 1 39 39 GLU N N 39 117.074 117.074 119.941 -2.867 19259 3644 1 16 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.466 -0.015 19259 3645 1 16 . 1 1 39 39 GLU C C 39 175.702 175.702 176.524 -0.822 19259 3646 1 16 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.655 0.137 19259 3647 1 16 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.544 -0.213 19259 3648 1 16 . 1 1 39 39 GLU H H 39 8.065 8.065 7.917 0.148 19259 3649 1 16 . 1 1 40 40 ARG N N 40 125.177 125.177 122.939 2.238 19259 3650 1 16 . 1 1 40 40 ARG HA H 40 2.664 2.664 4.007 -1.343 19259 3651 1 16 . 1 1 40 40 ARG C C 40 174.604 174.604 174.877 -0.273 19259 3652 1 16 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.201 -0.986 19259 3653 1 16 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.456 0.607 19259 3654 1 16 . 1 1 40 40 ARG H H 40 8.549 8.549 8.556 -0.007 19259 3655 1 16 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.127 -0.196 19259 3656 1 16 . 1 1 41 41 PRO C C 41 175.431 175.431 175.853 -0.422 19259 3657 1 16 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.812 0.157 19259 3658 1 16 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.395 -0.033 19259 3659 1 16 . 1 1 42 42 SER N N 42 115.527 115.527 113.082 2.445 19259 3660 1 16 . 1 1 42 42 SER HA H 42 4.321 4.321 4.386 -0.065 19259 3661 1 16 . 1 1 42 42 SER C C 42 173.826 173.826 174.098 -0.272 19259 3662 1 16 . 1 1 42 42 SER CA C 42 57.886 57.886 57.642 0.244 19259 3663 1 16 . 1 1 42 42 SER CB C 42 64.524 64.524 63.729 0.795 19259 3664 1 16 . 1 1 42 42 SER H H 42 8.201 8.201 8.145 0.056 19259 3665 1 17 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.878 -0.515 19259 3666 1 17 . 1 1 2 2 LEU C C 2 177.746 177.746 175.578 2.168 19259 3667 1 17 . 1 1 2 2 LEU CA C 2 55.603 55.603 53.606 1.997 19259 3668 1 17 . 1 1 2 2 LEU CB C 2 42.291 42.291 44.375 -2.084 19259 3669 1 17 . 1 1 3 3 GLU N N 3 121.500 121.500 120.366 1.134 19259 3670 1 17 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.590 -0.344 19259 3671 1 17 . 1 1 3 3 GLU C C 3 176.318 176.318 175.204 1.114 19259 3672 1 17 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.983 1.159 19259 3673 1 17 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.520 -0.810 19259 3674 1 17 . 1 1 3 3 GLU H H 3 8.898 8.898 8.467 0.431 19259 3675 1 17 . 1 1 4 4 HIS N N 4 120.262 120.262 118.227 2.035 19259 3676 1 17 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.824 -0.192 19259 3677 1 17 . 1 1 4 4 HIS C C 4 175.449 175.449 174.568 0.881 19259 3678 1 17 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.194 1.420 19259 3679 1 17 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.854 1.006 19259 3680 1 17 . 1 1 4 4 HIS H H 4 8.307 8.307 7.988 0.319 19259 3681 1 17 . 1 1 5 5 MET N N 5 122.219 122.219 120.509 1.710 19259 3682 1 17 . 1 1 5 5 MET HA H 5 4.473 4.473 4.526 -0.053 19259 3683 1 17 . 1 1 5 5 MET C C 5 175.854 175.854 175.682 0.172 19259 3684 1 17 . 1 1 5 5 MET CA C 5 55.366 55.366 55.397 -0.031 19259 3685 1 17 . 1 1 5 5 MET CB C 5 32.921 32.921 32.918 0.003 19259 3686 1 17 . 1 1 5 5 MET H H 5 8.241 8.241 8.684 -0.443 19259 3687 1 17 . 1 1 6 6 ALA N N 6 125.321 125.321 122.622 2.699 19259 3688 1 17 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.751 -0.433 19259 3689 1 17 . 1 1 6 6 ALA C C 6 177.612 177.612 175.769 1.843 19259 3690 1 17 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.622 1.073 19259 3691 1 17 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.232 -1.927 19259 3692 1 17 . 1 1 6 6 ALA H H 6 8.388 8.388 8.610 -0.222 19259 3693 1 17 . 1 1 7 7 ASP N N 7 119.856 119.856 116.688 3.168 19259 3694 1 17 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.640 -0.042 19259 3695 1 17 . 1 1 7 7 ASP C C 7 176.539 176.539 177.169 -0.630 19259 3696 1 17 . 1 1 7 7 ASP CA C 7 54.582 54.582 54.835 -0.253 19259 3697 1 17 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.297 -0.069 19259 3698 1 17 . 1 1 7 7 ASP H H 7 8.389 8.389 8.551 -0.162 19259 3699 1 17 . 1 1 8 8 GLU N N 8 121.214 121.214 120.239 0.975 19259 3700 1 17 . 1 1 8 8 GLU HA H 8 4.283 4.283 3.960 0.323 19259 3701 1 17 . 1 1 8 8 GLU C C 8 176.568 176.568 178.278 -1.710 19259 3702 1 17 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.681 -1.903 19259 3703 1 17 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.763 1.612 19259 3704 1 17 . 1 1 8 8 GLU H H 8 8.418 8.418 8.916 -0.498 19259 3705 1 17 . 1 1 9 9 GLU N N 9 122.013 122.013 119.538 2.475 19259 3706 1 17 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.178 0.085 19259 3707 1 17 . 1 1 9 9 GLU C C 9 176.229 176.229 177.036 -0.807 19259 3708 1 17 . 1 1 9 9 GLU CA C 9 56.476 56.476 58.110 -1.634 19259 3709 1 17 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.384 1.014 19259 3710 1 17 . 1 1 9 9 GLU H H 9 8.432 8.432 8.626 -0.194 19259 3711 1 17 . 1 1 10 10 LYS N N 10 123.906 123.906 120.950 2.956 19259 3712 1 17 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.250 0.072 19259 3713 1 17 . 1 1 10 10 LYS C C 10 176.291 176.291 176.358 -0.067 19259 3714 1 17 . 1 1 10 10 LYS CA C 10 56.395 56.395 56.011 0.384 19259 3715 1 17 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.551 1.082 19259 3716 1 17 . 1 1 10 10 LYS H H 10 8.355 8.355 7.660 0.695 19259 3717 1 17 . 1 1 11 11 LEU N N 11 125.459 125.459 126.982 -1.523 19259 3718 1 17 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.017 0.685 19259 3719 1 17 . 1 1 11 11 LEU C C 11 174.150 174.150 176.056 -1.906 19259 3720 1 17 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.522 -0.864 19259 3721 1 17 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.516 1.934 19259 3722 1 17 . 1 1 11 11 LEU H H 11 8.640 8.640 8.152 0.488 19259 3723 1 17 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.636 0.248 19259 3724 1 17 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.337 0.210 19259 3725 1 17 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.957 -1.093 19259 3726 1 17 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.320 0.068 19259 3727 1 17 . 1 1 13 13 PRO C C 13 177.111 177.111 177.441 -0.330 19259 3728 1 17 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.027 0.368 19259 3729 1 17 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.364 0.653 19259 3730 1 17 . 1 1 14 14 GLY N N 14 111.924 111.924 110.692 1.232 19259 3731 1 17 . 1 1 14 14 GLY C C 14 172.870 172.870 173.481 -0.611 19259 3732 1 17 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.517 0.486 19259 3733 1 17 . 1 1 14 14 GLY H H 14 8.807 8.807 8.471 0.336 19259 3734 1 17 . 1 1 15 15 TRP N N 15 117.136 117.136 121.057 -3.921 19259 3735 1 17 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.274 0.052 19259 3736 1 17 . 1 1 15 15 TRP C C 15 176.588 176.588 175.856 0.732 19259 3737 1 17 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.025 0.166 19259 3738 1 17 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.981 1.618 19259 3739 1 17 . 1 1 15 15 TRP H H 15 7.409 7.409 7.874 -0.465 19259 3740 1 17 . 1 1 16 16 GLU N N 16 120.872 120.872 120.147 0.725 19259 3741 1 17 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.709 0.166 19259 3742 1 17 . 1 1 16 16 GLU C C 16 174.090 174.090 174.938 -0.848 19259 3743 1 17 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.896 -0.095 19259 3744 1 17 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.160 0.558 19259 3745 1 17 . 1 1 16 16 GLU H H 16 9.858 9.858 9.058 0.800 19259 3746 1 17 . 1 1 17 17 LYS N N 17 125.521 125.521 126.554 -1.033 19259 3747 1 17 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.825 -0.372 19259 3748 1 17 . 1 1 17 17 LYS C C 17 175.474 175.474 176.256 -0.782 19259 3749 1 17 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.822 -0.581 19259 3750 1 17 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.535 0.442 19259 3751 1 17 . 1 1 17 17 LYS H H 17 8.980 8.980 8.745 0.235 19259 3752 1 17 . 1 1 18 18 ARG N N 18 127.083 127.083 125.329 1.754 19259 3753 1 17 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.662 -0.209 19259 3754 1 17 . 1 1 18 18 ARG C C 18 173.135 173.135 173.815 -0.680 19259 3755 1 17 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.543 1.069 19259 3756 1 17 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.992 0.636 19259 3757 1 17 . 1 1 18 18 ARG H H 18 8.829 8.829 8.853 -0.024 19259 3758 1 17 . 1 1 19 19 MET N N 19 117.317 117.317 120.015 -2.698 19259 3759 1 17 . 1 1 19 19 MET HA H 19 5.027 5.027 5.155 -0.128 19259 3760 1 17 . 1 1 19 19 MET C C 19 176.132 176.132 174.712 1.420 19259 3761 1 17 . 1 1 19 19 MET CA C 19 54.195 54.195 54.708 -0.513 19259 3762 1 17 . 1 1 19 19 MET CB C 19 35.215 35.215 36.109 -0.894 19259 3763 1 17 . 1 1 19 19 MET H H 19 8.131 8.131 8.474 -0.343 19259 3764 1 17 . 1 1 20 20 GLU N N 20 129.506 129.506 125.102 4.404 19259 3765 1 17 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.536 0.053 19259 3766 1 17 . 1 1 20 20 GLU C C 20 176.857 176.857 177.290 -0.433 19259 3767 1 17 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.058 0.531 19259 3768 1 17 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.990 -0.831 19259 3769 1 17 . 1 1 20 20 GLU H H 20 9.531 9.531 8.839 0.692 19259 3770 1 17 . 1 1 21 21 ARG N N 21 129.016 129.016 124.085 4.931 19259 3771 1 17 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.196 -0.203 19259 3772 1 17 . 1 1 21 21 ARG CA C 21 59.608 59.608 57.456 2.151 19259 3773 1 17 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.556 0.535 19259 3774 1 17 . 1 1 21 21 ARG H H 21 8.991 8.991 8.708 0.283 19259 3775 1 17 . 1 1 22 22 SER HA H 22 4.244 4.244 4.277 -0.033 19259 3776 1 17 . 1 1 22 22 SER CA C 22 61.081 61.081 60.396 0.685 19259 3777 1 17 . 1 1 22 22 SER CB C 22 62.480 62.480 63.278 -0.798 19259 3778 1 17 . 1 1 23 23 SER N N 23 114.105 114.105 113.178 0.927 19259 3779 1 17 . 1 1 23 23 SER HA H 23 4.628 4.628 4.584 0.044 19259 3780 1 17 . 1 1 23 23 SER C C 23 176.288 176.288 173.612 2.676 19259 3781 1 17 . 1 1 23 23 SER CA C 23 58.442 58.442 58.390 0.052 19259 3782 1 17 . 1 1 23 23 SER CB C 23 65.782 65.782 65.000 0.782 19259 3783 1 17 . 1 1 23 23 SER H H 23 7.884 7.884 7.913 -0.029 19259 3784 1 17 . 1 1 24 24 GLY N N 24 113.237 113.237 111.146 2.091 19259 3785 1 17 . 1 1 24 24 GLY C C 24 173.669 173.669 173.274 0.395 19259 3786 1 17 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.277 0.871 19259 3787 1 17 . 1 1 24 24 GLY H H 24 8.434 8.434 7.982 0.452 19259 3788 1 17 . 1 1 25 25 ARG N N 25 120.269 120.269 120.863 -0.594 19259 3789 1 17 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.811 -0.406 19259 3790 1 17 . 1 1 25 25 ARG C C 25 175.948 175.948 175.334 0.614 19259 3791 1 17 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.431 2.454 19259 3792 1 17 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.119 -0.399 19259 3793 1 17 . 1 1 25 25 ARG H H 25 8.058 8.058 7.671 0.387 19259 3794 1 17 . 1 1 26 26 VAL N N 26 124.651 124.651 127.746 -3.095 19259 3795 1 17 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.689 0.053 19259 3796 1 17 . 1 1 26 26 VAL C C 26 175.406 175.406 175.937 -0.531 19259 3797 1 17 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.386 -0.220 19259 3798 1 17 . 1 1 26 26 VAL CB C 26 33.116 33.116 31.814 1.302 19259 3799 1 17 . 1 1 26 26 VAL H H 26 8.508 8.508 8.784 -0.276 19259 3800 1 17 . 1 1 27 27 TYR N N 27 121.966 121.966 122.939 -0.973 19259 3801 1 17 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.450 0.432 19259 3802 1 17 . 1 1 27 27 TYR C C 27 170.726 170.726 172.413 -1.687 19259 3803 1 17 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.928 -0.473 19259 3804 1 17 . 1 1 27 27 TYR CB C 27 39.688 39.688 39.104 0.584 19259 3805 1 17 . 1 1 27 27 TYR H H 27 8.664 8.664 8.854 -0.190 19259 3806 1 17 . 1 1 28 28 TYR N N 28 116.945 116.945 116.855 0.090 19259 3807 1 17 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.299 -0.028 19259 3808 1 17 . 1 1 28 28 TYR C C 28 174.230 174.230 174.532 -0.302 19259 3809 1 17 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.577 1.629 19259 3810 1 17 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.162 0.186 19259 3811 1 17 . 1 1 28 28 TYR H H 28 9.005 9.005 9.024 -0.019 19259 3812 1 17 . 1 1 29 29 PHE N N 29 124.745 124.745 122.966 1.779 19259 3813 1 17 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.173 0.436 19259 3814 1 17 . 1 1 29 29 PHE C C 29 172.658 172.658 173.424 -0.766 19259 3815 1 17 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.300 -0.288 19259 3816 1 17 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.484 0.953 19259 3817 1 17 . 1 1 29 29 PHE H H 29 9.452 9.452 9.518 -0.066 19259 3818 1 17 . 1 1 30 30 ASN N N 30 128.963 128.963 125.800 3.163 19259 3819 1 17 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.487 -0.041 19259 3820 1 17 . 1 1 30 30 ASN C C 30 174.664 174.664 175.349 -0.685 19259 3821 1 17 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.695 -0.076 19259 3822 1 17 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.948 0.225 19259 3823 1 17 . 1 1 30 30 ASN H H 30 8.122 8.122 7.936 0.186 19259 3824 1 17 . 1 1 31 31 HIS N N 31 121.463 121.463 124.854 -3.391 19259 3825 1 17 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.735 -0.617 19259 3826 1 17 . 1 1 31 31 HIS C C 31 176.235 176.235 176.318 -0.083 19259 3827 1 17 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.759 0.100 19259 3828 1 17 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.948 0.523 19259 3829 1 17 . 1 1 31 31 HIS H H 31 8.207 8.207 9.011 -0.804 19259 3830 1 17 . 1 1 32 32 ILE N N 32 121.544 121.544 120.753 0.791 19259 3831 1 17 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.754 0.107 19259 3832 1 17 . 1 1 32 32 ILE C C 32 178.224 178.224 177.376 0.848 19259 3833 1 17 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.779 -0.368 19259 3834 1 17 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.117 -0.919 19259 3835 1 17 . 1 1 32 32 ILE H H 32 8.264 8.264 8.109 0.155 19259 3836 1 17 . 1 1 33 33 THR N N 33 107.975 107.975 111.615 -3.640 19259 3837 1 17 . 1 1 33 33 THR HA H 33 4.119 4.119 4.255 -0.136 19259 3838 1 17 . 1 1 33 33 THR C C 33 176.113 176.113 174.391 1.722 19259 3839 1 17 . 1 1 33 33 THR CA C 33 61.307 61.307 61.238 0.069 19259 3840 1 17 . 1 1 33 33 THR CB C 33 70.083 70.083 69.126 0.957 19259 3841 1 17 . 1 1 33 33 THR H H 33 7.434 7.434 7.369 0.065 19259 3842 1 17 . 1 1 34 34 ASN N N 34 118.294 118.294 116.750 1.544 19259 3843 1 17 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.132 -0.010 19259 3844 1 17 . 1 1 34 34 ASN C C 34 173.358 173.358 173.889 -0.531 19259 3845 1 17 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.659 1.389 19259 3846 1 17 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.893 -0.293 19259 3847 1 17 . 1 1 34 34 ASN H H 34 8.094 8.094 7.974 0.120 19259 3848 1 17 . 1 1 35 35 ALA N N 35 121.778 121.778 120.243 1.535 19259 3849 1 17 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.443 0.010 19259 3850 1 17 . 1 1 35 35 ALA C C 35 175.421 175.421 175.444 -0.023 19259 3851 1 17 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.585 0.472 19259 3852 1 17 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.587 0.287 19259 3853 1 17 . 1 1 35 35 ALA H H 35 7.132 7.132 7.124 0.008 19259 3854 1 17 . 1 1 36 36 SER N N 36 112.243 112.243 111.739 0.504 19259 3855 1 17 . 1 1 36 36 SER HA H 36 6.027 6.027 5.158 0.869 19259 3856 1 17 . 1 1 36 36 SER C C 36 174.068 174.068 173.323 0.745 19259 3857 1 17 . 1 1 36 36 SER CA C 36 56.932 56.932 57.580 -0.648 19259 3858 1 17 . 1 1 36 36 SER CB C 36 66.691 66.691 65.940 0.751 19259 3859 1 17 . 1 1 36 36 SER H H 36 8.293 8.293 8.327 -0.034 19259 3860 1 17 . 1 1 37 37 GLN N N 37 116.909 116.909 118.263 -1.354 19259 3861 1 17 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.598 0.264 19259 3862 1 17 . 1 1 37 37 GLN C C 37 174.646 174.646 174.411 0.235 19259 3863 1 17 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.694 -0.916 19259 3864 1 17 . 1 1 37 37 GLN CB C 37 32.052 32.052 33.235 -1.183 19259 3865 1 17 . 1 1 37 37 GLN H H 37 9.371 9.371 8.967 0.404 19259 3866 1 17 . 1 1 38 38 TRP N N 38 120.433 120.433 119.547 0.886 19259 3867 1 17 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.585 0.400 19259 3868 1 17 . 1 1 38 38 TRP C C 38 177.071 177.071 175.878 1.193 19259 3869 1 17 . 1 1 38 38 TRP CA C 38 58.818 58.818 58.181 0.637 19259 3870 1 17 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.212 0.412 19259 3871 1 17 . 1 1 38 38 TRP H H 38 8.547 8.547 8.976 -0.429 19259 3872 1 17 . 1 1 39 39 GLU N N 39 117.074 117.074 119.697 -2.623 19259 3873 1 17 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.466 -0.015 19259 3874 1 17 . 1 1 39 39 GLU C C 39 175.702 175.702 176.760 -1.058 19259 3875 1 17 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.344 -0.552 19259 3876 1 17 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.105 0.226 19259 3877 1 17 . 1 1 39 39 GLU H H 39 8.065 8.065 8.098 -0.033 19259 3878 1 17 . 1 1 40 40 ARG N N 40 125.177 125.177 123.785 1.392 19259 3879 1 17 . 1 1 40 40 ARG HA H 40 2.664 2.664 4.166 -1.502 19259 3880 1 17 . 1 1 40 40 ARG C C 40 174.604 174.604 174.804 -0.200 19259 3881 1 17 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.409 -1.194 19259 3882 1 17 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.664 0.399 19259 3883 1 17 . 1 1 40 40 ARG H H 40 8.549 8.549 8.580 -0.031 19259 3884 1 17 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.136 -0.205 19259 3885 1 17 . 1 1 41 41 PRO C C 41 175.431 175.431 175.393 0.038 19259 3886 1 17 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.980 -0.011 19259 3887 1 17 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.311 0.051 19259 3888 1 17 . 1 1 42 42 SER N N 42 115.527 115.527 112.237 3.290 19259 3889 1 17 . 1 1 42 42 SER HA H 42 4.321 4.321 4.445 -0.124 19259 3890 1 17 . 1 1 42 42 SER C C 42 173.826 173.826 174.011 -0.185 19259 3891 1 17 . 1 1 42 42 SER CA C 42 57.886 57.886 57.534 0.352 19259 3892 1 17 . 1 1 42 42 SER CB C 42 64.524 64.524 65.151 -0.627 19259 3893 1 17 . 1 1 42 42 SER H H 42 8.201 8.201 7.917 0.284 19259 3894 1 18 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.638 -0.275 19259 3895 1 18 . 1 1 2 2 LEU C C 2 177.746 177.746 176.697 1.049 19259 3896 1 18 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.289 0.313 19259 3897 1 18 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.614 -0.323 19259 3898 1 18 . 1 1 3 3 GLU N N 3 121.500 121.500 119.006 2.494 19259 3899 1 18 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.303 -0.057 19259 3900 1 18 . 1 1 3 3 GLU C C 3 176.318 176.318 176.292 0.026 19259 3901 1 18 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.535 0.606 19259 3902 1 18 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.053 -0.344 19259 3903 1 18 . 1 1 3 3 GLU H H 3 8.898 8.898 8.461 0.437 19259 3904 1 18 . 1 1 4 4 HIS N N 4 120.262 120.262 119.101 1.161 19259 3905 1 18 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.752 -0.120 19259 3906 1 18 . 1 1 4 4 HIS C C 4 175.449 175.449 175.038 0.411 19259 3907 1 18 . 1 1 4 4 HIS CA C 4 56.614 56.614 54.660 1.954 19259 3908 1 18 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.764 0.096 19259 3909 1 18 . 1 1 4 4 HIS H H 4 8.307 8.307 7.919 0.388 19259 3910 1 18 . 1 1 5 5 MET N N 5 122.219 122.219 124.167 -1.948 19259 3911 1 18 . 1 1 5 5 MET HA H 5 4.473 4.473 4.651 -0.178 19259 3912 1 18 . 1 1 5 5 MET C C 5 175.854 175.854 174.642 1.212 19259 3913 1 18 . 1 1 5 5 MET CA C 5 55.366 55.366 56.124 -0.758 19259 3914 1 18 . 1 1 5 5 MET CB C 5 32.921 32.921 33.201 -0.280 19259 3915 1 18 . 1 1 5 5 MET H H 5 8.241 8.241 8.451 -0.210 19259 3916 1 18 . 1 1 6 6 ALA N N 6 125.321 125.321 122.779 2.542 19259 3917 1 18 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.564 -0.246 19259 3918 1 18 . 1 1 6 6 ALA C C 6 177.612 177.612 175.862 1.750 19259 3919 1 18 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.629 1.066 19259 3920 1 18 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.724 -2.419 19259 3921 1 18 . 1 1 6 6 ALA H H 6 8.388 8.388 8.151 0.237 19259 3922 1 18 . 1 1 7 7 ASP N N 7 119.856 119.856 118.511 1.345 19259 3923 1 18 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.732 -0.134 19259 3924 1 18 . 1 1 7 7 ASP C C 7 176.539 176.539 177.693 -1.154 19259 3925 1 18 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.335 -0.753 19259 3926 1 18 . 1 1 7 7 ASP CB C 7 41.228 41.228 42.030 -0.802 19259 3927 1 18 . 1 1 7 7 ASP H H 7 8.389 8.389 8.600 -0.211 19259 3928 1 18 . 1 1 8 8 GLU N N 8 121.214 121.214 120.999 0.215 19259 3929 1 18 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.007 0.276 19259 3930 1 18 . 1 1 8 8 GLU C C 8 176.568 176.568 177.666 -1.098 19259 3931 1 18 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.436 -1.658 19259 3932 1 18 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.979 1.396 19259 3933 1 18 . 1 1 8 8 GLU H H 8 8.418 8.418 8.631 -0.213 19259 3934 1 18 . 1 1 9 9 GLU N N 9 122.013 122.013 118.108 3.905 19259 3935 1 18 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.294 -0.031 19259 3936 1 18 . 1 1 9 9 GLU C C 9 176.229 176.229 176.945 -0.716 19259 3937 1 18 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.752 -0.276 19259 3938 1 18 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.672 0.726 19259 3939 1 18 . 1 1 9 9 GLU H H 9 8.432 8.432 8.400 0.032 19259 3940 1 18 . 1 1 10 10 LYS N N 10 123.906 123.906 120.741 3.165 19259 3941 1 18 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.456 -0.134 19259 3942 1 18 . 1 1 10 10 LYS C C 10 176.291 176.291 175.652 0.639 19259 3943 1 18 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.075 1.320 19259 3944 1 18 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.117 0.516 19259 3945 1 18 . 1 1 10 10 LYS H H 10 8.355 8.355 7.718 0.637 19259 3946 1 18 . 1 1 11 11 LEU N N 11 125.459 125.459 124.400 1.059 19259 3947 1 18 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.177 0.525 19259 3948 1 18 . 1 1 11 11 LEU C C 11 174.150 174.150 175.962 -1.812 19259 3949 1 18 . 1 1 11 11 LEU CA C 11 52.658 52.658 52.616 0.042 19259 3950 1 18 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.423 2.026 19259 3951 1 18 . 1 1 11 11 LEU H H 11 8.640 8.640 8.140 0.500 19259 3952 1 18 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.675 0.209 19259 3953 1 18 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.285 0.261 19259 3954 1 18 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.810 -0.946 19259 3955 1 18 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.338 0.050 19259 3956 1 18 . 1 1 13 13 PRO C C 13 177.111 177.111 177.827 -0.716 19259 3957 1 18 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.003 0.392 19259 3958 1 18 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.690 0.327 19259 3959 1 18 . 1 1 14 14 GLY N N 14 111.924 111.924 110.413 1.511 19259 3960 1 18 . 1 1 14 14 GLY C C 14 172.870 172.870 173.891 -1.021 19259 3961 1 18 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.792 0.211 19259 3962 1 18 . 1 1 14 14 GLY H H 14 8.807 8.807 8.777 0.030 19259 3963 1 18 . 1 1 15 15 TRP N N 15 117.136 117.136 120.762 -3.626 19259 3964 1 18 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.112 0.214 19259 3965 1 18 . 1 1 15 15 TRP C C 15 176.588 176.588 176.051 0.537 19259 3966 1 18 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.175 0.016 19259 3967 1 18 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.822 1.777 19259 3968 1 18 . 1 1 15 15 TRP H H 15 7.409 7.409 7.678 -0.269 19259 3969 1 18 . 1 1 16 16 GLU N N 16 120.872 120.872 119.462 1.410 19259 3970 1 18 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.800 0.075 19259 3971 1 18 . 1 1 16 16 GLU C C 16 174.090 174.090 174.849 -0.759 19259 3972 1 18 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.099 -0.298 19259 3973 1 18 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.325 0.393 19259 3974 1 18 . 1 1 16 16 GLU H H 16 9.858 9.858 8.924 0.934 19259 3975 1 18 . 1 1 17 17 LYS N N 17 125.521 125.521 126.478 -0.957 19259 3976 1 18 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.939 -0.486 19259 3977 1 18 . 1 1 17 17 LYS C C 17 175.474 175.474 176.051 -0.577 19259 3978 1 18 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.285 -0.043 19259 3979 1 18 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.043 0.934 19259 3980 1 18 . 1 1 17 17 LYS H H 17 8.980 8.980 8.774 0.206 19259 3981 1 18 . 1 1 18 18 ARG N N 18 127.083 127.083 125.229 1.854 19259 3982 1 18 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.687 -0.234 19259 3983 1 18 . 1 1 18 18 ARG C C 18 173.135 173.135 173.661 -0.526 19259 3984 1 18 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.708 0.904 19259 3985 1 18 . 1 1 18 18 ARG CB C 18 34.628 34.628 34.418 0.210 19259 3986 1 18 . 1 1 18 18 ARG H H 18 8.829 8.829 8.752 0.077 19259 3987 1 18 . 1 1 19 19 MET N N 19 117.317 117.317 119.842 -2.525 19259 3988 1 18 . 1 1 19 19 MET HA H 19 5.027 5.027 5.367 -0.340 19259 3989 1 18 . 1 1 19 19 MET C C 19 176.132 176.132 174.859 1.273 19259 3990 1 18 . 1 1 19 19 MET CA C 19 54.195 54.195 54.273 -0.078 19259 3991 1 18 . 1 1 19 19 MET CB C 19 35.215 35.215 36.858 -1.643 19259 3992 1 18 . 1 1 19 19 MET H H 19 8.131 8.131 8.431 -0.300 19259 3993 1 18 . 1 1 20 20 GLU N N 20 129.506 129.506 124.800 4.706 19259 3994 1 18 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.389 0.200 19259 3995 1 18 . 1 1 20 20 GLU C C 20 176.857 176.857 176.648 0.209 19259 3996 1 18 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.640 -0.051 19259 3997 1 18 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.252 -0.093 19259 3998 1 18 . 1 1 20 20 GLU H H 20 9.531 9.531 9.075 0.456 19259 3999 1 18 . 1 1 21 21 ARG N N 21 129.016 129.016 126.781 2.235 19259 4000 1 18 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.140 -0.147 19259 4001 1 18 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.552 1.056 19259 4002 1 18 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.095 -0.003 19259 4003 1 18 . 1 1 21 21 ARG H H 21 8.991 8.991 8.860 0.131 19259 4004 1 18 . 1 1 22 22 SER HA H 22 4.244 4.244 4.310 -0.066 19259 4005 1 18 . 1 1 22 22 SER CA C 22 61.081 61.081 60.320 0.761 19259 4006 1 18 . 1 1 22 22 SER CB C 22 62.480 62.480 63.263 -0.783 19259 4007 1 18 . 1 1 23 23 SER N N 23 114.105 114.105 113.791 0.314 19259 4008 1 18 . 1 1 23 23 SER HA H 23 4.628 4.628 4.591 0.037 19259 4009 1 18 . 1 1 23 23 SER C C 23 176.288 176.288 174.060 2.228 19259 4010 1 18 . 1 1 23 23 SER CA C 23 58.442 58.442 58.708 -0.266 19259 4011 1 18 . 1 1 23 23 SER CB C 23 65.782 65.782 65.584 0.198 19259 4012 1 18 . 1 1 23 23 SER H H 23 7.884 7.884 8.049 -0.165 19259 4013 1 18 . 1 1 24 24 GLY N N 24 113.237 113.237 112.070 1.167 19259 4014 1 18 . 1 1 24 24 GLY C C 24 173.669 173.669 173.059 0.610 19259 4015 1 18 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.298 0.850 19259 4016 1 18 . 1 1 24 24 GLY H H 24 8.434 8.434 8.325 0.109 19259 4017 1 18 . 1 1 25 25 ARG N N 25 120.269 120.269 120.653 -0.384 19259 4018 1 18 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.825 -0.420 19259 4019 1 18 . 1 1 25 25 ARG C C 25 175.948 175.948 175.346 0.602 19259 4020 1 18 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.067 2.818 19259 4021 1 18 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.766 -0.046 19259 4022 1 18 . 1 1 25 25 ARG H H 25 8.058 8.058 7.666 0.392 19259 4023 1 18 . 1 1 26 26 VAL N N 26 124.651 124.651 127.175 -2.524 19259 4024 1 18 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.810 -0.068 19259 4025 1 18 . 1 1 26 26 VAL C C 26 175.406 175.406 175.908 -0.502 19259 4026 1 18 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.001 0.165 19259 4027 1 18 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.076 1.040 19259 4028 1 18 . 1 1 26 26 VAL H H 26 8.508 8.508 8.786 -0.278 19259 4029 1 18 . 1 1 27 27 TYR N N 27 121.966 121.966 121.764 0.202 19259 4030 1 18 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.445 0.437 19259 4031 1 18 . 1 1 27 27 TYR C C 27 170.726 170.726 172.270 -1.544 19259 4032 1 18 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.982 -0.527 19259 4033 1 18 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.910 0.777 19259 4034 1 18 . 1 1 27 27 TYR H H 27 8.664 8.664 8.915 -0.251 19259 4035 1 18 . 1 1 28 28 TYR N N 28 116.945 116.945 116.580 0.365 19259 4036 1 18 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.404 -0.133 19259 4037 1 18 . 1 1 28 28 TYR C C 28 174.230 174.230 174.593 -0.363 19259 4038 1 18 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.869 1.337 19259 4039 1 18 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.402 -0.054 19259 4040 1 18 . 1 1 28 28 TYR H H 28 9.005 9.005 8.907 0.098 19259 4041 1 18 . 1 1 29 29 PHE N N 29 124.745 124.745 122.659 2.086 19259 4042 1 18 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.170 0.439 19259 4043 1 18 . 1 1 29 29 PHE C C 29 172.658 172.658 173.432 -0.774 19259 4044 1 18 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.478 -0.466 19259 4045 1 18 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.537 0.900 19259 4046 1 18 . 1 1 29 29 PHE H H 29 9.452 9.452 9.574 -0.122 19259 4047 1 18 . 1 1 30 30 ASN N N 30 128.963 128.963 125.986 2.977 19259 4048 1 18 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.549 -0.103 19259 4049 1 18 . 1 1 30 30 ASN C C 30 174.664 174.664 175.771 -1.107 19259 4050 1 18 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.592 0.027 19259 4051 1 18 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.736 0.437 19259 4052 1 18 . 1 1 30 30 ASN H H 30 8.122 8.122 7.976 0.146 19259 4053 1 18 . 1 1 31 31 HIS N N 31 121.463 121.463 125.189 -3.726 19259 4054 1 18 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.668 -0.550 19259 4055 1 18 . 1 1 31 31 HIS C C 31 176.235 176.235 176.340 -0.105 19259 4056 1 18 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.840 0.019 19259 4057 1 18 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.670 0.801 19259 4058 1 18 . 1 1 31 31 HIS H H 31 8.207 8.207 8.502 -0.295 19259 4059 1 18 . 1 1 32 32 ILE N N 32 121.544 121.544 120.457 1.087 19259 4060 1 18 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.739 0.122 19259 4061 1 18 . 1 1 32 32 ILE C C 32 178.224 178.224 177.445 0.779 19259 4062 1 18 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.930 -0.519 19259 4063 1 18 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.213 -1.015 19259 4064 1 18 . 1 1 32 32 ILE H H 32 8.264 8.264 7.952 0.312 19259 4065 1 18 . 1 1 33 33 THR N N 33 107.975 107.975 111.924 -3.949 19259 4066 1 18 . 1 1 33 33 THR HA H 33 4.119 4.119 4.246 -0.127 19259 4067 1 18 . 1 1 33 33 THR C C 33 176.113 176.113 174.596 1.517 19259 4068 1 18 . 1 1 33 33 THR CA C 33 61.307 61.307 60.925 0.382 19259 4069 1 18 . 1 1 33 33 THR CB C 33 70.083 70.083 69.637 0.446 19259 4070 1 18 . 1 1 33 33 THR H H 33 7.434 7.434 7.282 0.152 19259 4071 1 18 . 1 1 34 34 ASN N N 34 118.294 118.294 118.166 0.128 19259 4072 1 18 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.219 -0.097 19259 4073 1 18 . 1 1 34 34 ASN C C 34 173.358 173.358 173.653 -0.295 19259 4074 1 18 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.993 1.055 19259 4075 1 18 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.754 -0.154 19259 4076 1 18 . 1 1 34 34 ASN H H 34 8.094 8.094 7.950 0.144 19259 4077 1 18 . 1 1 35 35 ALA N N 35 121.778 121.778 121.104 0.674 19259 4078 1 18 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.509 -0.056 19259 4079 1 18 . 1 1 35 35 ALA C C 35 175.421 175.421 175.207 0.214 19259 4080 1 18 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.197 0.860 19259 4081 1 18 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.739 0.135 19259 4082 1 18 . 1 1 35 35 ALA H H 35 7.132 7.132 7.393 -0.261 19259 4083 1 18 . 1 1 36 36 SER N N 36 112.243 112.243 111.918 0.325 19259 4084 1 18 . 1 1 36 36 SER HA H 36 6.027 6.027 5.140 0.887 19259 4085 1 18 . 1 1 36 36 SER C C 36 174.068 174.068 173.464 0.604 19259 4086 1 18 . 1 1 36 36 SER CA C 36 56.932 56.932 57.904 -0.972 19259 4087 1 18 . 1 1 36 36 SER CB C 36 66.691 66.691 66.497 0.194 19259 4088 1 18 . 1 1 36 36 SER H H 36 8.293 8.293 8.172 0.121 19259 4089 1 18 . 1 1 37 37 GLN N N 37 116.909 116.909 120.291 -3.382 19259 4090 1 18 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.613 0.249 19259 4091 1 18 . 1 1 37 37 GLN C C 37 174.646 174.646 174.584 0.062 19259 4092 1 18 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.153 -0.375 19259 4093 1 18 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.670 -0.618 19259 4094 1 18 . 1 1 37 37 GLN H H 37 9.371 9.371 9.161 0.210 19259 4095 1 18 . 1 1 38 38 TRP N N 38 120.433 120.433 119.549 0.884 19259 4096 1 18 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.733 0.252 19259 4097 1 18 . 1 1 38 38 TRP C C 38 177.071 177.071 177.020 0.051 19259 4098 1 18 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.373 1.445 19259 4099 1 18 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.579 0.045 19259 4100 1 18 . 1 1 38 38 TRP H H 38 8.547 8.547 8.930 -0.383 19259 4101 1 18 . 1 1 39 39 GLU N N 39 117.074 117.074 120.777 -3.703 19259 4102 1 18 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.571 -0.120 19259 4103 1 18 . 1 1 39 39 GLU C C 39 175.702 175.702 176.112 -0.410 19259 4104 1 18 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.513 0.279 19259 4105 1 18 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.499 -0.168 19259 4106 1 18 . 1 1 39 39 GLU H H 39 8.065 8.065 7.923 0.142 19259 4107 1 18 . 1 1 40 40 ARG N N 40 125.177 125.177 122.347 2.830 19259 4108 1 18 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.916 -1.252 19259 4109 1 18 . 1 1 40 40 ARG C C 40 174.604 174.604 174.731 -0.127 19259 4110 1 18 . 1 1 40 40 ARG CA C 40 54.215 54.215 54.998 -0.783 19259 4111 1 18 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.594 0.469 19259 4112 1 18 . 1 1 40 40 ARG H H 40 8.549 8.549 8.666 -0.117 19259 4113 1 18 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.129 -0.198 19259 4114 1 18 . 1 1 41 41 PRO C C 41 175.431 175.431 175.416 0.015 19259 4115 1 18 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.654 0.315 19259 4116 1 18 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.539 -0.177 19259 4117 1 18 . 1 1 42 42 SER N N 42 115.527 115.527 113.134 2.393 19259 4118 1 18 . 1 1 42 42 SER HA H 42 4.321 4.321 4.536 -0.215 19259 4119 1 18 . 1 1 42 42 SER C C 42 173.826 173.826 173.772 0.054 19259 4120 1 18 . 1 1 42 42 SER CA C 42 57.886 57.886 57.437 0.449 19259 4121 1 18 . 1 1 42 42 SER CB C 42 64.524 64.524 65.557 -1.033 19259 4122 1 18 . 1 1 42 42 SER H H 42 8.201 8.201 7.848 0.353 19259 4123 1 19 . 1 1 2 2 LEU HA H 2 4.363 4.363 4.359 0.004 19259 4124 1 19 . 1 1 2 2 LEU C C 2 177.746 177.746 176.359 1.387 19259 4125 1 19 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.601 0.002 19259 4126 1 19 . 1 1 2 2 LEU CB C 2 42.291 42.291 41.620 0.671 19259 4127 1 19 . 1 1 3 3 GLU N N 3 121.500 121.500 122.838 -1.338 19259 4128 1 19 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.460 -0.214 19259 4129 1 19 . 1 1 3 3 GLU C C 3 176.318 176.318 175.484 0.834 19259 4130 1 19 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.607 1.535 19259 4131 1 19 . 1 1 3 3 GLU CB C 3 29.710 29.710 32.472 -2.763 19259 4132 1 19 . 1 1 3 3 GLU H H 3 8.898 8.898 8.441 0.457 19259 4133 1 19 . 1 1 4 4 HIS N N 4 120.262 120.262 119.064 1.198 19259 4134 1 19 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.782 -0.150 19259 4135 1 19 . 1 1 4 4 HIS C C 4 175.449 175.449 175.229 0.220 19259 4136 1 19 . 1 1 4 4 HIS CA C 4 56.614 56.614 56.511 0.103 19259 4137 1 19 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.343 0.517 19259 4138 1 19 . 1 1 4 4 HIS H H 4 8.307 8.307 8.351 -0.044 19259 4139 1 19 . 1 1 5 5 MET N N 5 122.219 122.219 120.510 1.709 19259 4140 1 19 . 1 1 5 5 MET HA H 5 4.473 4.473 4.411 0.062 19259 4141 1 19 . 1 1 5 5 MET C C 5 175.854 175.854 175.614 0.240 19259 4142 1 19 . 1 1 5 5 MET CA C 5 55.366 55.366 55.915 -0.549 19259 4143 1 19 . 1 1 5 5 MET CB C 5 32.921 32.921 32.338 0.583 19259 4144 1 19 . 1 1 5 5 MET H H 5 8.241 8.241 8.212 0.029 19259 4145 1 19 . 1 1 6 6 ALA N N 6 125.321 125.321 126.532 -1.211 19259 4146 1 19 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.587 -0.269 19259 4147 1 19 . 1 1 6 6 ALA C C 6 177.612 177.612 175.511 2.101 19259 4148 1 19 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.694 1.000 19259 4149 1 19 . 1 1 6 6 ALA CB C 6 19.305 19.305 21.980 -2.675 19259 4150 1 19 . 1 1 6 6 ALA H H 6 8.388 8.388 8.211 0.177 19259 4151 1 19 . 1 1 7 7 ASP N N 7 119.856 119.856 119.750 0.106 19259 4152 1 19 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.548 0.050 19259 4153 1 19 . 1 1 7 7 ASP C C 7 176.539 176.539 177.628 -1.089 19259 4154 1 19 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.931 -1.349 19259 4155 1 19 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.344 -0.116 19259 4156 1 19 . 1 1 7 7 ASP H H 7 8.389 8.389 8.679 -0.290 19259 4157 1 19 . 1 1 8 8 GLU N N 8 121.214 121.214 119.497 1.717 19259 4158 1 19 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.014 0.269 19259 4159 1 19 . 1 1 8 8 GLU C C 8 176.568 176.568 177.357 -0.789 19259 4160 1 19 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.373 -1.595 19259 4161 1 19 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.755 1.620 19259 4162 1 19 . 1 1 8 8 GLU H H 8 8.418 8.418 8.504 -0.086 19259 4163 1 19 . 1 1 9 9 GLU N N 9 122.013 122.013 117.793 4.220 19259 4164 1 19 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.234 0.029 19259 4165 1 19 . 1 1 9 9 GLU C C 9 176.229 176.229 176.572 -0.343 19259 4166 1 19 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.787 -0.311 19259 4167 1 19 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.761 0.637 19259 4168 1 19 . 1 1 9 9 GLU H H 9 8.432 8.432 8.380 0.052 19259 4169 1 19 . 1 1 10 10 LYS N N 10 123.906 123.906 121.119 2.787 19259 4170 1 19 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.362 -0.040 19259 4171 1 19 . 1 1 10 10 LYS C C 10 176.291 176.291 176.245 0.046 19259 4172 1 19 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.293 1.102 19259 4173 1 19 . 1 1 10 10 LYS CB C 10 32.633 32.633 32.018 0.615 19259 4174 1 19 . 1 1 10 10 LYS H H 10 8.355 8.355 7.745 0.610 19259 4175 1 19 . 1 1 11 11 LEU N N 11 125.459 125.459 126.785 -1.326 19259 4176 1 19 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.166 0.536 19259 4177 1 19 . 1 1 11 11 LEU C C 11 174.150 174.150 175.962 -1.812 19259 4178 1 19 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.070 -0.412 19259 4179 1 19 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.658 1.792 19259 4180 1 19 . 1 1 11 11 LEU H H 11 8.640 8.640 8.458 0.182 19259 4181 1 19 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.680 0.204 19259 4182 1 19 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.228 0.318 19259 4183 1 19 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.920 -1.056 19259 4184 1 19 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.301 0.087 19259 4185 1 19 . 1 1 13 13 PRO C C 13 177.111 177.111 177.466 -0.355 19259 4186 1 19 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.130 0.265 19259 4187 1 19 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.298 0.719 19259 4188 1 19 . 1 1 14 14 GLY N N 14 111.924 111.924 110.991 0.933 19259 4189 1 19 . 1 1 14 14 GLY C C 14 172.870 172.870 173.667 -0.797 19259 4190 1 19 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.581 0.422 19259 4191 1 19 . 1 1 14 14 GLY H H 14 8.807 8.807 8.773 0.034 19259 4192 1 19 . 1 1 15 15 TRP N N 15 117.136 117.136 121.410 -4.274 19259 4193 1 19 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.238 0.088 19259 4194 1 19 . 1 1 15 15 TRP C C 15 176.588 176.588 176.448 0.140 19259 4195 1 19 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.043 0.148 19259 4196 1 19 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.657 1.942 19259 4197 1 19 . 1 1 15 15 TRP H H 15 7.409 7.409 7.947 -0.538 19259 4198 1 19 . 1 1 16 16 GLU N N 16 120.872 120.872 121.506 -0.634 19259 4199 1 19 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.827 0.048 19259 4200 1 19 . 1 1 16 16 GLU C C 16 174.090 174.090 175.080 -0.990 19259 4201 1 19 . 1 1 16 16 GLU CA C 16 54.801 54.801 54.959 -0.158 19259 4202 1 19 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.277 0.441 19259 4203 1 19 . 1 1 16 16 GLU H H 16 9.858 9.858 9.299 0.559 19259 4204 1 19 . 1 1 17 17 LYS N N 17 125.521 125.521 126.639 -1.118 19259 4205 1 19 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.601 -0.148 19259 4206 1 19 . 1 1 17 17 LYS C C 17 175.474 175.474 176.120 -0.646 19259 4207 1 19 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.959 -0.718 19259 4208 1 19 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.064 0.913 19259 4209 1 19 . 1 1 17 17 LYS H H 17 8.980 8.980 8.788 0.192 19259 4210 1 19 . 1 1 18 18 ARG N N 18 127.083 127.083 125.416 1.667 19259 4211 1 19 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.690 -0.237 19259 4212 1 19 . 1 1 18 18 ARG C C 18 173.135 173.135 173.807 -0.672 19259 4213 1 19 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.066 1.546 19259 4214 1 19 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.650 0.978 19259 4215 1 19 . 1 1 18 18 ARG H H 18 8.829 8.829 8.671 0.158 19259 4216 1 19 . 1 1 19 19 MET N N 19 117.317 117.317 119.213 -1.896 19259 4217 1 19 . 1 1 19 19 MET HA H 19 5.027 5.027 5.039 -0.012 19259 4218 1 19 . 1 1 19 19 MET C C 19 176.132 176.132 174.631 1.501 19259 4219 1 19 . 1 1 19 19 MET CA C 19 54.195 54.195 54.767 -0.572 19259 4220 1 19 . 1 1 19 19 MET CB C 19 35.215 35.215 36.241 -1.026 19259 4221 1 19 . 1 1 19 19 MET H H 19 8.131 8.131 8.608 -0.477 19259 4222 1 19 . 1 1 20 20 GLU N N 20 129.506 129.506 124.856 4.650 19259 4223 1 19 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.536 0.053 19259 4224 1 19 . 1 1 20 20 GLU C C 20 176.857 176.857 176.687 0.170 19259 4225 1 19 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.386 0.203 19259 4226 1 19 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.733 -0.574 19259 4227 1 19 . 1 1 20 20 GLU H H 20 9.531 9.531 9.104 0.427 19259 4228 1 19 . 1 1 21 21 ARG N N 21 129.016 129.016 127.684 1.332 19259 4229 1 19 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.167 -0.174 19259 4230 1 19 . 1 1 21 21 ARG CA C 21 59.608 59.608 57.724 1.884 19259 4231 1 19 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.857 0.235 19259 4232 1 19 . 1 1 21 21 ARG H H 21 8.991 8.991 8.850 0.141 19259 4233 1 19 . 1 1 22 22 SER HA H 22 4.244 4.244 4.240 0.004 19259 4234 1 19 . 1 1 22 22 SER CA C 22 61.081 61.081 60.727 0.354 19259 4235 1 19 . 1 1 22 22 SER CB C 22 62.480 62.480 63.007 -0.527 19259 4236 1 19 . 1 1 23 23 SER N N 23 114.105 114.105 113.923 0.182 19259 4237 1 19 . 1 1 23 23 SER HA H 23 4.628 4.628 4.585 0.043 19259 4238 1 19 . 1 1 23 23 SER C C 23 176.288 176.288 174.349 1.939 19259 4239 1 19 . 1 1 23 23 SER CA C 23 58.442 58.442 58.514 -0.072 19259 4240 1 19 . 1 1 23 23 SER CB C 23 65.782 65.782 65.223 0.559 19259 4241 1 19 . 1 1 23 23 SER H H 23 7.884 7.884 7.974 -0.090 19259 4242 1 19 . 1 1 24 24 GLY N N 24 113.237 113.237 111.223 2.014 19259 4243 1 19 . 1 1 24 24 GLY C C 24 173.669 173.669 172.977 0.692 19259 4244 1 19 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.066 1.082 19259 4245 1 19 . 1 1 24 24 GLY H H 24 8.434 8.434 8.093 0.341 19259 4246 1 19 . 1 1 25 25 ARG N N 25 120.269 120.269 121.085 -0.816 19259 4247 1 19 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.782 -0.377 19259 4248 1 19 . 1 1 25 25 ARG C C 25 175.948 175.948 175.031 0.917 19259 4249 1 19 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.055 2.830 19259 4250 1 19 . 1 1 25 25 ARG CB C 25 32.720 32.720 33.577 -0.857 19259 4251 1 19 . 1 1 25 25 ARG H H 25 8.058 8.058 7.909 0.149 19259 4252 1 19 . 1 1 26 26 VAL N N 26 124.651 124.651 124.942 -0.291 19259 4253 1 19 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.671 0.071 19259 4254 1 19 . 1 1 26 26 VAL C C 26 175.406 175.406 175.523 -0.117 19259 4255 1 19 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.763 -0.597 19259 4256 1 19 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.656 0.460 19259 4257 1 19 . 1 1 26 26 VAL H H 26 8.508 8.508 8.489 0.019 19259 4258 1 19 . 1 1 27 27 TYR N N 27 121.966 121.966 119.887 2.079 19259 4259 1 19 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.485 0.397 19259 4260 1 19 . 1 1 27 27 TYR C C 27 170.726 170.726 172.175 -1.449 19259 4261 1 19 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.992 -0.537 19259 4262 1 19 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.721 0.967 19259 4263 1 19 . 1 1 27 27 TYR H H 27 8.664 8.664 8.166 0.498 19259 4264 1 19 . 1 1 28 28 TYR N N 28 116.945 116.945 116.858 0.087 19259 4265 1 19 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.226 0.045 19259 4266 1 19 . 1 1 28 28 TYR C C 28 174.230 174.230 174.746 -0.516 19259 4267 1 19 . 1 1 28 28 TYR CA C 28 57.206 57.206 56.072 1.134 19259 4268 1 19 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.063 0.285 19259 4269 1 19 . 1 1 28 28 TYR H H 28 9.005 9.005 8.745 0.260 19259 4270 1 19 . 1 1 29 29 PHE N N 29 124.745 124.745 122.723 2.022 19259 4271 1 19 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.197 0.412 19259 4272 1 19 . 1 1 29 29 PHE C C 29 172.658 172.658 173.555 -0.897 19259 4273 1 19 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.479 -0.467 19259 4274 1 19 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.496 0.941 19259 4275 1 19 . 1 1 29 29 PHE H H 29 9.452 9.452 9.626 -0.174 19259 4276 1 19 . 1 1 30 30 ASN N N 30 128.963 128.963 126.234 2.729 19259 4277 1 19 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.516 -0.070 19259 4278 1 19 . 1 1 30 30 ASN C C 30 174.664 174.664 175.690 -1.026 19259 4279 1 19 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.787 -0.168 19259 4280 1 19 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.791 0.382 19259 4281 1 19 . 1 1 30 30 ASN H H 30 8.122 8.122 7.882 0.240 19259 4282 1 19 . 1 1 31 31 HIS N N 31 121.463 121.463 124.984 -3.521 19259 4283 1 19 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.738 -0.620 19259 4284 1 19 . 1 1 31 31 HIS C C 31 176.235 176.235 176.287 -0.052 19259 4285 1 19 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.740 0.119 19259 4286 1 19 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.858 0.613 19259 4287 1 19 . 1 1 31 31 HIS H H 31 8.207 8.207 9.112 -0.905 19259 4288 1 19 . 1 1 32 32 ILE N N 32 121.544 121.544 120.898 0.646 19259 4289 1 19 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.774 0.087 19259 4290 1 19 . 1 1 32 32 ILE C C 32 178.224 178.224 177.475 0.749 19259 4291 1 19 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.890 -0.479 19259 4292 1 19 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.188 -0.990 19259 4293 1 19 . 1 1 32 32 ILE H H 32 8.264 8.264 8.002 0.262 19259 4294 1 19 . 1 1 33 33 THR N N 33 107.975 107.975 112.003 -4.028 19259 4295 1 19 . 1 1 33 33 THR HA H 33 4.119 4.119 4.249 -0.130 19259 4296 1 19 . 1 1 33 33 THR C C 33 176.113 176.113 174.458 1.655 19259 4297 1 19 . 1 1 33 33 THR CA C 33 61.307 61.307 61.056 0.251 19259 4298 1 19 . 1 1 33 33 THR CB C 33 70.083 70.083 69.223 0.860 19259 4299 1 19 . 1 1 33 33 THR H H 33 7.434 7.434 7.355 0.079 19259 4300 1 19 . 1 1 34 34 ASN N N 34 118.294 118.294 117.228 1.066 19259 4301 1 19 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.334 -0.212 19259 4302 1 19 . 1 1 34 34 ASN C C 34 173.358 173.358 173.789 -0.431 19259 4303 1 19 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.063 0.985 19259 4304 1 19 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.610 -0.010 19259 4305 1 19 . 1 1 34 34 ASN H H 34 8.094 8.094 8.045 0.049 19259 4306 1 19 . 1 1 35 35 ALA N N 35 121.778 121.778 121.507 0.271 19259 4307 1 19 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.312 0.141 19259 4308 1 19 . 1 1 35 35 ALA C C 35 175.421 175.421 175.204 0.217 19259 4309 1 19 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.341 0.716 19259 4310 1 19 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.647 0.227 19259 4311 1 19 . 1 1 35 35 ALA H H 35 7.132 7.132 7.180 -0.048 19259 4312 1 19 . 1 1 36 36 SER N N 36 112.243 112.243 113.043 -0.800 19259 4313 1 19 . 1 1 36 36 SER HA H 36 6.027 6.027 5.081 0.946 19259 4314 1 19 . 1 1 36 36 SER C C 36 174.068 174.068 173.470 0.598 19259 4315 1 19 . 1 1 36 36 SER CA C 36 56.932 56.932 57.929 -0.997 19259 4316 1 19 . 1 1 36 36 SER CB C 36 66.691 66.691 65.036 1.655 19259 4317 1 19 . 1 1 36 36 SER H H 36 8.293 8.293 8.205 0.088 19259 4318 1 19 . 1 1 37 37 GLN N N 37 116.909 116.909 122.581 -5.672 19259 4319 1 19 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.646 0.216 19259 4320 1 19 . 1 1 37 37 GLN C C 37 174.646 174.646 174.836 -0.190 19259 4321 1 19 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.174 -0.396 19259 4322 1 19 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.452 -0.400 19259 4323 1 19 . 1 1 37 37 GLN H H 37 9.371 9.371 9.186 0.185 19259 4324 1 19 . 1 1 38 38 TRP N N 38 120.433 120.433 120.611 -0.178 19259 4325 1 19 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.590 0.395 19259 4326 1 19 . 1 1 38 38 TRP C C 38 177.071 177.071 176.525 0.546 19259 4327 1 19 . 1 1 38 38 TRP CA C 38 58.818 58.818 58.025 0.793 19259 4328 1 19 . 1 1 38 38 TRP CB C 38 30.624 30.624 29.910 0.714 19259 4329 1 19 . 1 1 38 38 TRP H H 38 8.547 8.547 8.957 -0.410 19259 4330 1 19 . 1 1 39 39 GLU N N 39 117.074 117.074 119.817 -2.743 19259 4331 1 19 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.426 0.025 19259 4332 1 19 . 1 1 39 39 GLU C C 39 175.702 175.702 176.675 -0.973 19259 4333 1 19 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.322 -0.530 19259 4334 1 19 . 1 1 39 39 GLU CB C 39 30.331 30.331 29.804 0.527 19259 4335 1 19 . 1 1 39 39 GLU H H 39 8.065 8.065 8.276 -0.211 19259 4336 1 19 . 1 1 40 40 ARG N N 40 125.177 125.177 125.812 -0.635 19259 4337 1 19 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.942 -1.278 19259 4338 1 19 . 1 1 40 40 ARG C C 40 174.604 174.604 174.874 -0.270 19259 4339 1 19 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.687 -1.472 19259 4340 1 19 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.576 0.487 19259 4341 1 19 . 1 1 40 40 ARG H H 40 8.549 8.549 8.614 -0.065 19259 4342 1 19 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.122 -0.191 19259 4343 1 19 . 1 1 41 41 PRO C C 41 175.431 175.431 176.022 -0.591 19259 4344 1 19 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.830 0.139 19259 4345 1 19 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.269 0.093 19259 4346 1 19 . 1 1 42 42 SER N N 42 115.527 115.527 112.943 2.584 19259 4347 1 19 . 1 1 42 42 SER HA H 42 4.321 4.321 4.517 -0.196 19259 4348 1 19 . 1 1 42 42 SER C C 42 173.826 173.826 174.634 -0.808 19259 4349 1 19 . 1 1 42 42 SER CA C 42 57.886 57.886 57.761 0.125 19259 4350 1 19 . 1 1 42 42 SER CB C 42 64.524 64.524 65.228 -0.704 19259 4351 1 19 . 1 1 42 42 SER H H 42 8.201 8.201 8.052 0.149 19259 4352 1 20 . 1 1 2 2 LEU HA H 2 4.363 4.363 5.047 -0.684 19259 4353 1 20 . 1 1 2 2 LEU C C 2 177.746 177.746 177.316 0.430 19259 4354 1 20 . 1 1 2 2 LEU CA C 2 55.603 55.603 54.253 1.350 19259 4355 1 20 . 1 1 2 2 LEU CB C 2 42.291 42.291 43.424 -1.133 19259 4356 1 20 . 1 1 3 3 GLU N N 3 121.500 121.500 119.080 2.420 19259 4357 1 20 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.418 -0.172 19259 4358 1 20 . 1 1 3 3 GLU C C 3 176.318 176.318 175.173 1.145 19259 4359 1 20 . 1 1 3 3 GLU CA C 3 57.142 57.142 55.576 1.566 19259 4360 1 20 . 1 1 3 3 GLU CB C 3 29.710 29.710 31.402 -1.692 19259 4361 1 20 . 1 1 3 3 GLU H H 3 8.898 8.898 8.416 0.482 19259 4362 1 20 . 1 1 4 4 HIS N N 4 120.262 120.262 120.107 0.155 19259 4363 1 20 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.848 -0.216 19259 4364 1 20 . 1 1 4 4 HIS C C 4 175.449 175.449 174.266 1.183 19259 4365 1 20 . 1 1 4 4 HIS CA C 4 56.614 56.614 56.098 0.516 19259 4366 1 20 . 1 1 4 4 HIS CB C 4 30.860 30.860 29.543 1.317 19259 4367 1 20 . 1 1 4 4 HIS H H 4 8.307 8.307 8.522 -0.215 19259 4368 1 20 . 1 1 5 5 MET N N 5 122.219 122.219 127.630 -5.411 19259 4369 1 20 . 1 1 5 5 MET HA H 5 4.473 4.473 4.589 -0.116 19259 4370 1 20 . 1 1 5 5 MET C C 5 175.854 175.854 174.261 1.593 19259 4371 1 20 . 1 1 5 5 MET CA C 5 55.366 55.366 55.384 -0.018 19259 4372 1 20 . 1 1 5 5 MET CB C 5 32.921 32.921 33.031 -0.110 19259 4373 1 20 . 1 1 5 5 MET H H 5 8.241 8.241 8.169 0.072 19259 4374 1 20 . 1 1 6 6 ALA N N 6 125.321 125.321 127.605 -2.284 19259 4375 1 20 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.524 -0.206 19259 4376 1 20 . 1 1 6 6 ALA C C 6 177.612 177.612 176.009 1.603 19259 4377 1 20 . 1 1 6 6 ALA CA C 6 52.695 52.695 52.168 0.527 19259 4378 1 20 . 1 1 6 6 ALA CB C 6 19.305 19.305 20.078 -0.773 19259 4379 1 20 . 1 1 6 6 ALA H H 6 8.388 8.388 7.872 0.516 19259 4380 1 20 . 1 1 7 7 ASP N N 7 119.856 119.856 123.333 -3.477 19259 4381 1 20 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.535 0.063 19259 4382 1 20 . 1 1 7 7 ASP C C 7 176.539 176.539 177.218 -0.679 19259 4383 1 20 . 1 1 7 7 ASP CA C 7 54.582 54.582 54.561 0.021 19259 4384 1 20 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.299 -0.071 19259 4385 1 20 . 1 1 7 7 ASP H H 7 8.389 8.389 8.604 -0.215 19259 4386 1 20 . 1 1 8 8 GLU N N 8 121.214 121.214 119.525 1.689 19259 4387 1 20 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.004 0.279 19259 4388 1 20 . 1 1 8 8 GLU C C 8 176.568 176.568 177.955 -1.387 19259 4389 1 20 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.364 -1.586 19259 4390 1 20 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.903 1.472 19259 4391 1 20 . 1 1 8 8 GLU H H 8 8.418 8.418 8.625 -0.207 19259 4392 1 20 . 1 1 9 9 GLU N N 9 122.013 122.013 120.582 1.431 19259 4393 1 20 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.189 0.074 19259 4394 1 20 . 1 1 9 9 GLU C C 9 176.229 176.229 176.431 -0.202 19259 4395 1 20 . 1 1 9 9 GLU CA C 9 56.476 56.476 57.081 -0.605 19259 4396 1 20 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.138 1.260 19259 4397 1 20 . 1 1 9 9 GLU H H 9 8.432 8.432 8.590 -0.158 19259 4398 1 20 . 1 1 10 10 LYS N N 10 123.906 123.906 120.950 2.956 19259 4399 1 20 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.420 -0.098 19259 4400 1 20 . 1 1 10 10 LYS C C 10 176.291 176.291 176.066 0.225 19259 4401 1 20 . 1 1 10 10 LYS CA C 10 56.395 56.395 54.760 1.635 19259 4402 1 20 . 1 1 10 10 LYS CB C 10 32.633 32.633 30.793 1.840 19259 4403 1 20 . 1 1 10 10 LYS H H 10 8.355 8.355 7.671 0.684 19259 4404 1 20 . 1 1 11 11 LEU N N 11 125.459 125.459 126.567 -1.108 19259 4405 1 20 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.085 0.617 19259 4406 1 20 . 1 1 11 11 LEU C C 11 174.150 174.150 175.968 -1.818 19259 4407 1 20 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.472 -0.814 19259 4408 1 20 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.383 2.067 19259 4409 1 20 . 1 1 11 11 LEU H H 11 8.640 8.640 8.023 0.617 19259 4410 1 20 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.667 0.217 19259 4411 1 20 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.323 0.223 19259 4412 1 20 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.863 -0.999 19259 4413 1 20 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.350 0.038 19259 4414 1 20 . 1 1 13 13 PRO C C 13 177.111 177.111 177.697 -0.586 19259 4415 1 20 . 1 1 13 13 PRO CA C 13 64.395 64.395 63.894 0.501 19259 4416 1 20 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.658 0.359 19259 4417 1 20 . 1 1 14 14 GLY N N 14 111.924 111.924 110.598 1.326 19259 4418 1 20 . 1 1 14 14 GLY C C 14 172.870 172.870 173.626 -0.756 19259 4419 1 20 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.700 0.303 19259 4420 1 20 . 1 1 14 14 GLY H H 14 8.807 8.807 8.777 0.030 19259 4421 1 20 . 1 1 15 15 TRP N N 15 117.136 117.136 120.831 -3.695 19259 4422 1 20 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.273 0.053 19259 4423 1 20 . 1 1 15 15 TRP C C 15 176.588 176.588 175.885 0.703 19259 4424 1 20 . 1 1 15 15 TRP CA C 15 57.191 57.191 56.956 0.235 19259 4425 1 20 . 1 1 15 15 TRP CB C 15 32.599 32.599 31.107 1.492 19259 4426 1 20 . 1 1 15 15 TRP H H 15 7.409 7.409 7.809 -0.400 19259 4427 1 20 . 1 1 16 16 GLU N N 16 120.872 120.872 118.981 1.891 19259 4428 1 20 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.768 0.107 19259 4429 1 20 . 1 1 16 16 GLU C C 16 174.090 174.090 174.822 -0.732 19259 4430 1 20 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.352 -0.552 19259 4431 1 20 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.159 0.559 19259 4432 1 20 . 1 1 16 16 GLU H H 16 9.858 9.858 9.072 0.786 19259 4433 1 20 . 1 1 17 17 LYS N N 17 125.521 125.521 126.692 -1.171 19259 4434 1 20 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.893 -0.440 19259 4435 1 20 . 1 1 17 17 LYS C C 17 175.474 175.474 175.907 -0.433 19259 4436 1 20 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.281 -0.040 19259 4437 1 20 . 1 1 17 17 LYS CB C 17 33.977 33.977 32.960 1.017 19259 4438 1 20 . 1 1 17 17 LYS H H 17 8.980 8.980 8.783 0.197 19259 4439 1 20 . 1 1 18 18 ARG N N 18 127.083 127.083 124.985 2.098 19259 4440 1 20 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.674 -0.221 19259 4441 1 20 . 1 1 18 18 ARG C C 18 173.135 173.135 173.806 -0.671 19259 4442 1 20 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.727 0.885 19259 4443 1 20 . 1 1 18 18 ARG CB C 18 34.628 34.628 34.038 0.590 19259 4444 1 20 . 1 1 18 18 ARG H H 18 8.829 8.829 8.366 0.463 19259 4445 1 20 . 1 1 19 19 MET N N 19 117.317 117.317 119.030 -1.713 19259 4446 1 20 . 1 1 19 19 MET HA H 19 5.027 5.027 5.215 -0.188 19259 4447 1 20 . 1 1 19 19 MET C C 19 176.132 176.132 174.927 1.205 19259 4448 1 20 . 1 1 19 19 MET CA C 19 54.195 54.195 54.234 -0.039 19259 4449 1 20 . 1 1 19 19 MET CB C 19 35.215 35.215 36.648 -1.433 19259 4450 1 20 . 1 1 19 19 MET H H 19 8.131 8.131 8.431 -0.300 19259 4451 1 20 . 1 1 20 20 GLU N N 20 129.506 129.506 123.413 6.093 19259 4452 1 20 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.533 0.056 19259 4453 1 20 . 1 1 20 20 GLU C C 20 176.857 176.857 176.914 -0.057 19259 4454 1 20 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.063 0.526 19259 4455 1 20 . 1 1 20 20 GLU CB C 20 30.159 30.159 31.207 -1.048 19259 4456 1 20 . 1 1 20 20 GLU H H 20 9.531 9.531 8.739 0.792 19259 4457 1 20 . 1 1 21 21 ARG N N 21 129.016 129.016 127.307 1.709 19259 4458 1 20 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.211 -0.218 19259 4459 1 20 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.068 1.540 19259 4460 1 20 . 1 1 21 21 ARG CB C 21 30.092 30.092 30.292 -0.200 19259 4461 1 20 . 1 1 21 21 ARG H H 21 8.991 8.991 8.867 0.124 19259 4462 1 20 . 1 1 22 22 SER HA H 22 4.244 4.244 4.259 -0.015 19259 4463 1 20 . 1 1 22 22 SER CA C 22 61.081 61.081 60.919 0.162 19259 4464 1 20 . 1 1 22 22 SER CB C 22 62.480 62.480 63.462 -0.982 19259 4465 1 20 . 1 1 23 23 SER N N 23 114.105 114.105 112.876 1.229 19259 4466 1 20 . 1 1 23 23 SER HA H 23 4.628 4.628 4.568 0.060 19259 4467 1 20 . 1 1 23 23 SER C C 23 176.288 176.288 173.845 2.443 19259 4468 1 20 . 1 1 23 23 SER CA C 23 58.442 58.442 58.576 -0.134 19259 4469 1 20 . 1 1 23 23 SER CB C 23 65.782 65.782 65.091 0.691 19259 4470 1 20 . 1 1 23 23 SER H H 23 7.884 7.884 8.010 -0.126 19259 4471 1 20 . 1 1 24 24 GLY N N 24 113.237 113.237 111.631 1.606 19259 4472 1 20 . 1 1 24 24 GLY C C 24 173.669 173.669 172.973 0.696 19259 4473 1 20 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.292 0.856 19259 4474 1 20 . 1 1 24 24 GLY H H 24 8.434 8.434 8.138 0.296 19259 4475 1 20 . 1 1 25 25 ARG N N 25 120.269 120.269 120.618 -0.349 19259 4476 1 20 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.802 -0.397 19259 4477 1 20 . 1 1 25 25 ARG C C 25 175.948 175.948 175.618 0.330 19259 4478 1 20 . 1 1 25 25 ARG CA C 25 56.885 56.885 53.994 2.891 19259 4479 1 20 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.509 0.211 19259 4480 1 20 . 1 1 25 25 ARG H H 25 8.058 8.058 7.683 0.375 19259 4481 1 20 . 1 1 26 26 VAL N N 26 124.651 124.651 127.516 -2.865 19259 4482 1 20 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.644 0.098 19259 4483 1 20 . 1 1 26 26 VAL C C 26 175.406 175.406 175.937 -0.531 19259 4484 1 20 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.583 -0.417 19259 4485 1 20 . 1 1 26 26 VAL CB C 26 33.116 33.116 31.882 1.234 19259 4486 1 20 . 1 1 26 26 VAL H H 26 8.508 8.508 8.780 -0.272 19259 4487 1 20 . 1 1 27 27 TYR N N 27 121.966 121.966 120.487 1.479 19259 4488 1 20 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.452 0.430 19259 4489 1 20 . 1 1 27 27 TYR C C 27 170.726 170.726 172.264 -1.538 19259 4490 1 20 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.931 -0.476 19259 4491 1 20 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.763 0.925 19259 4492 1 20 . 1 1 27 27 TYR H H 27 8.664 8.664 8.814 -0.150 19259 4493 1 20 . 1 1 28 28 TYR N N 28 116.945 116.945 116.562 0.383 19259 4494 1 20 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.172 0.099 19259 4495 1 20 . 1 1 28 28 TYR C C 28 174.230 174.230 174.409 -0.179 19259 4496 1 20 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.946 1.260 19259 4497 1 20 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.525 -0.177 19259 4498 1 20 . 1 1 28 28 TYR H H 28 9.005 9.005 8.861 0.144 19259 4499 1 20 . 1 1 29 29 PHE N N 29 124.745 124.745 122.909 1.836 19259 4500 1 20 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.162 0.447 19259 4501 1 20 . 1 1 29 29 PHE C C 29 172.658 172.658 173.463 -0.805 19259 4502 1 20 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.302 -0.290 19259 4503 1 20 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.403 1.034 19259 4504 1 20 . 1 1 29 29 PHE H H 29 9.452 9.452 9.527 -0.075 19259 4505 1 20 . 1 1 30 30 ASN N N 30 128.963 128.963 126.253 2.710 19259 4506 1 20 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.568 -0.122 19259 4507 1 20 . 1 1 30 30 ASN C C 30 174.664 174.664 175.497 -0.833 19259 4508 1 20 . 1 1 30 30 ASN CA C 30 50.619 50.619 51.296 -0.677 19259 4509 1 20 . 1 1 30 30 ASN CB C 30 38.173 38.173 38.287 -0.114 19259 4510 1 20 . 1 1 30 30 ASN H H 30 8.122 8.122 8.146 -0.024 19259 4511 1 20 . 1 1 31 31 HIS N N 31 121.463 121.463 124.717 -3.254 19259 4512 1 20 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.796 -0.678 19259 4513 1 20 . 1 1 31 31 HIS C C 31 176.235 176.235 176.338 -0.103 19259 4514 1 20 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.912 -0.053 19259 4515 1 20 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.965 0.506 19259 4516 1 20 . 1 1 31 31 HIS H H 31 8.207 8.207 9.131 -0.924 19259 4517 1 20 . 1 1 32 32 ILE N N 32 121.544 121.544 120.392 1.152 19259 4518 1 20 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.811 0.050 19259 4519 1 20 . 1 1 32 32 ILE C C 32 178.224 178.224 177.338 0.886 19259 4520 1 20 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.688 -0.278 19259 4521 1 20 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.455 -1.257 19259 4522 1 20 . 1 1 32 32 ILE H H 32 8.264 8.264 8.372 -0.108 19259 4523 1 20 . 1 1 33 33 THR N N 33 107.975 107.975 112.196 -4.221 19259 4524 1 20 . 1 1 33 33 THR HA H 33 4.119 4.119 4.258 -0.139 19259 4525 1 20 . 1 1 33 33 THR C C 33 176.113 176.113 174.646 1.467 19259 4526 1 20 . 1 1 33 33 THR CA C 33 61.307 61.307 61.073 0.234 19259 4527 1 20 . 1 1 33 33 THR CB C 33 70.083 70.083 69.563 0.520 19259 4528 1 20 . 1 1 33 33 THR H H 33 7.434 7.434 7.534 -0.100 19259 4529 1 20 . 1 1 34 34 ASN N N 34 118.294 118.294 118.337 -0.043 19259 4530 1 20 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.025 0.097 19259 4531 1 20 . 1 1 34 34 ASN C C 34 173.358 173.358 173.255 0.103 19259 4532 1 20 . 1 1 34 34 ASN CA C 34 55.048 55.048 54.453 0.595 19259 4533 1 20 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.417 0.183 19259 4534 1 20 . 1 1 34 34 ASN H H 34 8.094 8.094 7.979 0.115 19259 4535 1 20 . 1 1 35 35 ALA N N 35 121.778 121.778 120.212 1.566 19259 4536 1 20 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.373 0.080 19259 4537 1 20 . 1 1 35 35 ALA C C 35 175.421 175.421 175.516 -0.095 19259 4538 1 20 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.387 0.670 19259 4539 1 20 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.299 0.575 19259 4540 1 20 . 1 1 35 35 ALA H H 35 7.132 7.132 7.100 0.032 19259 4541 1 20 . 1 1 36 36 SER N N 36 112.243 112.243 113.028 -0.785 19259 4542 1 20 . 1 1 36 36 SER HA H 36 6.027 6.027 5.083 0.944 19259 4543 1 20 . 1 1 36 36 SER C C 36 174.068 174.068 173.375 0.693 19259 4544 1 20 . 1 1 36 36 SER CA C 36 56.932 56.932 57.952 -1.020 19259 4545 1 20 . 1 1 36 36 SER CB C 36 66.691 66.691 66.306 0.385 19259 4546 1 20 . 1 1 36 36 SER H H 36 8.293 8.293 8.148 0.145 19259 4547 1 20 . 1 1 37 37 GLN N N 37 116.909 116.909 120.938 -4.029 19259 4548 1 20 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.621 0.241 19259 4549 1 20 . 1 1 37 37 GLN C C 37 174.646 174.646 174.548 0.098 19259 4550 1 20 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.493 -0.715 19259 4551 1 20 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.982 -0.930 19259 4552 1 20 . 1 1 37 37 GLN H H 37 9.371 9.371 8.983 0.388 19259 4553 1 20 . 1 1 38 38 TRP N N 38 120.433 120.433 119.490 0.943 19259 4554 1 20 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.697 0.288 19259 4555 1 20 . 1 1 38 38 TRP C C 38 177.071 177.071 176.921 0.150 19259 4556 1 20 . 1 1 38 38 TRP CA C 38 58.818 58.818 58.152 0.666 19259 4557 1 20 . 1 1 38 38 TRP CB C 38 30.624 30.624 29.983 0.641 19259 4558 1 20 . 1 1 38 38 TRP H H 38 8.547 8.547 8.946 -0.399 19259 4559 1 20 . 1 1 39 39 GLU N N 39 117.074 117.074 119.377 -2.303 19259 4560 1 20 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.459 -0.008 19259 4561 1 20 . 1 1 39 39 GLU C C 39 175.702 175.702 176.859 -1.157 19259 4562 1 20 . 1 1 39 39 GLU CA C 39 55.792 55.792 56.185 -0.393 19259 4563 1 20 . 1 1 39 39 GLU CB C 39 30.331 30.331 29.842 0.489 19259 4564 1 20 . 1 1 39 39 GLU H H 39 8.065 8.065 8.242 -0.177 19259 4565 1 20 . 1 1 40 40 ARG N N 40 125.177 125.177 123.790 1.387 19259 4566 1 20 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.822 -1.158 19259 4567 1 20 . 1 1 40 40 ARG C C 40 174.604 174.604 174.776 -0.172 19259 4568 1 20 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.466 -1.251 19259 4569 1 20 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.200 0.863 19259 4570 1 20 . 1 1 40 40 ARG H H 40 8.549 8.549 8.516 0.033 19259 4571 1 20 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.145 -0.214 19259 4572 1 20 . 1 1 41 41 PRO C C 41 175.431 175.431 175.352 0.079 19259 4573 1 20 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.774 0.195 19259 4574 1 20 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.543 -0.181 19259 4575 1 20 . 1 1 42 42 SER N N 42 115.527 115.527 115.869 -0.342 19259 4576 1 20 . 1 1 42 42 SER HA H 42 4.321 4.321 4.424 -0.103 19259 4577 1 20 . 1 1 42 42 SER C C 42 173.826 173.826 174.119 -0.293 19259 4578 1 20 . 1 1 42 42 SER CA C 42 57.886 57.886 58.316 -0.430 19259 4579 1 20 . 1 1 42 42 SER CB C 42 64.524 64.524 63.951 0.573 19259 4580 1 20 . 1 1 42 42 SER H H 42 8.201 8.201 8.186 0.015 19259 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 36 2.328 -0.486 2.309 19259 2 1 1 "Average Difference" HA 43 0.365 -0.023 0.368 19259 3 1 1 "Average Difference" C 38 0.915 0.018 0.927 19259 4 1 1 "Average Difference" CA 41 0.935 -0.161 0.933 19259 5 1 1 "Average Difference" CB 39 0.898 -0.284 0.863 19259 6 1 1 "Average Difference" HN 36 0.409 -0.127 0.394 19259 7 1 2 "Average Difference" N 36 2.727 -0.361 2.741 19259 8 1 2 "Average Difference" HA 43 0.347 -0.042 0.349 19259 9 1 2 "Average Difference" C 38 0.925 0.093 0.933 19259 10 1 2 "Average Difference" CA 41 0.952 -0.192 0.944 19259 11 1 2 "Average Difference" CB 39 0.910 -0.284 0.875 19259 12 1 2 "Average Difference" HN 36 0.374 -0.134 0.354 19259 13 1 3 "Average Difference" N 36 2.166 -0.179 2.190 19259 14 1 3 "Average Difference" HA 43 0.387 0.009 0.391 19259 15 1 3 "Average Difference" C 38 1.018 -0.070 1.029 19259 16 1 3 "Average Difference" CA 41 0.907 -0.129 0.909 19259 17 1 3 "Average Difference" CB 39 1.042 -0.150 1.045 19259 18 1 3 "Average Difference" HN 36 0.386 -0.054 0.388 19259 19 1 4 "Average Difference" N 36 2.893 -0.285 2.919 19259 20 1 4 "Average Difference" HA 43 0.362 -0.057 0.362 19259 21 1 4 "Average Difference" C 38 0.926 0.005 0.939 19259 22 1 4 "Average Difference" CA 41 0.961 -0.097 0.968 19259 23 1 4 "Average Difference" CB 39 0.977 -0.380 0.912 19259 24 1 4 "Average Difference" HN 36 0.372 -0.099 0.363 19259 25 1 5 "Average Difference" N 36 2.783 -0.318 2.804 19259 26 1 5 "Average Difference" HA 43 0.375 -0.032 0.378 19259 27 1 5 "Average Difference" C 38 0.899 0.087 0.907 19259 28 1 5 "Average Difference" CA 41 0.898 -0.084 0.905 19259 29 1 5 "Average Difference" CB 39 0.994 -0.286 0.964 19259 30 1 5 "Average Difference" HN 36 0.377 -0.125 0.361 19259 31 1 6 "Average Difference" N 36 2.637 0.069 2.674 19259 32 1 6 "Average Difference" HA 43 0.354 -0.054 0.354 19259 33 1 6 "Average Difference" C 38 0.859 0.085 0.866 19259 34 1 6 "Average Difference" CA 41 0.984 -0.152 0.984 19259 35 1 6 "Average Difference" CB 39 0.959 -0.403 0.882 19259 36 1 6 "Average Difference" HN 36 0.415 -0.128 0.400 19259 37 1 7 "Average Difference" N 36 2.463 -0.455 2.455 19259 38 1 7 "Average Difference" HA 43 0.338 -0.051 0.338 19259 39 1 7 "Average Difference" C 38 0.859 -0.006 0.871 19259 40 1 7 "Average Difference" CA 41 0.868 -0.206 0.854 19259 41 1 7 "Average Difference" CB 39 1.028 -0.262 1.007 19259 42 1 7 "Average Difference" HN 36 0.370 -0.103 0.360 19259 43 1 8 "Average Difference" N 36 2.657 -0.461 2.654 19259 44 1 8 "Average Difference" HA 43 0.336 -0.066 0.333 19259 45 1 8 "Average Difference" C 38 0.896 0.113 0.901 19259 46 1 8 "Average Difference" CA 41 0.871 -0.006 0.881 19259 47 1 8 "Average Difference" CB 39 0.926 -0.427 0.833 19259 48 1 8 "Average Difference" HN 36 0.376 -0.105 0.366 19259 49 1 9 "Average Difference" N 36 2.350 -0.185 2.376 19259 50 1 9 "Average Difference" HA 43 0.325 -0.020 0.328 19259 51 1 9 "Average Difference" C 38 0.904 -0.067 0.914 19259 52 1 9 "Average Difference" CA 41 0.840 -0.112 0.843 19259 53 1 9 "Average Difference" CB 39 0.867 -0.210 0.852 19259 54 1 9 "Average Difference" HN 36 0.369 -0.098 0.361 19259 55 1 10 "Average Difference" N 36 2.717 -0.442 2.719 19259 56 1 10 "Average Difference" HA 43 0.361 -0.039 0.363 19259 57 1 10 "Average Difference" C 38 0.996 0.019 1.009 19259 58 1 10 "Average Difference" CA 41 0.912 -0.081 0.920 19259 59 1 10 "Average Difference" CB 39 1.003 -0.157 1.003 19259 60 1 10 "Average Difference" HN 36 0.427 -0.121 0.415 19259 61 1 11 "Average Difference" N 36 2.235 -0.213 2.256 19259 62 1 11 "Average Difference" HA 43 0.347 -0.027 0.350 19259 63 1 11 "Average Difference" C 38 1.032 -0.125 1.038 19259 64 1 11 "Average Difference" CA 41 0.797 -0.175 0.787 19259 65 1 11 "Average Difference" CB 39 0.986 -0.251 0.966 19259 66 1 11 "Average Difference" HN 36 0.305 -0.069 0.301 19259 67 1 12 "Average Difference" N 36 2.261 -0.464 2.244 19259 68 1 12 "Average Difference" HA 43 0.333 -0.032 0.335 19259 69 1 12 "Average Difference" C 38 0.867 0.057 0.877 19259 70 1 12 "Average Difference" CA 41 0.875 -0.168 0.869 19259 71 1 12 "Average Difference" CB 39 0.852 -0.138 0.851 19259 72 1 12 "Average Difference" HN 36 0.326 -0.052 0.326 19259 73 1 13 "Average Difference" N 36 2.328 -0.247 2.347 19259 74 1 13 "Average Difference" HA 43 0.367 -0.007 0.371 19259 75 1 13 "Average Difference" C 38 0.974 -0.119 0.980 19259 76 1 13 "Average Difference" CA 41 0.885 -0.260 0.857 19259 77 1 13 "Average Difference" CB 39 0.910 -0.188 0.902 19259 78 1 13 "Average Difference" HN 36 0.352 -0.067 0.350 19259 79 1 14 "Average Difference" N 36 2.183 -0.096 2.212 19259 80 1 14 "Average Difference" HA 43 0.360 -0.024 0.363 19259 81 1 14 "Average Difference" C 38 0.881 0.042 0.891 19259 82 1 14 "Average Difference" CA 41 0.870 -0.235 0.848 19259 83 1 14 "Average Difference" CB 39 0.956 -0.347 0.903 19259 84 1 14 "Average Difference" HN 36 0.379 -0.065 0.379 19259 85 1 15 "Average Difference" N 36 3.057 -1.000 2.930 19259 86 1 15 "Average Difference" HA 43 0.329 -0.043 0.330 19259 87 1 15 "Average Difference" C 38 0.907 -0.017 0.919 19259 88 1 15 "Average Difference" CA 41 0.979 -0.058 0.990 19259 89 1 15 "Average Difference" CB 39 0.939 -0.215 0.926 19259 90 1 15 "Average Difference" HN 36 0.427 -0.105 0.419 19259 91 1 16 "Average Difference" N 36 2.334 -0.513 2.309 19259 92 1 16 "Average Difference" HA 43 0.371 -0.030 0.374 19259 93 1 16 "Average Difference" C 38 0.950 0.030 0.962 19259 94 1 16 "Average Difference" CA 41 0.895 -0.176 0.889 19259 95 1 16 "Average Difference" CB 39 0.981 -0.205 0.972 19259 96 1 16 "Average Difference" HN 36 0.309 -0.069 0.306 19259 97 1 17 "Average Difference" N 36 2.347 -0.648 2.287 19259 98 1 17 "Average Difference" HA 43 0.385 -0.000 0.390 19259 99 1 17 "Average Difference" C 38 1.051 -0.051 1.063 19259 100 1 17 "Average Difference" CA 41 0.975 -0.222 0.961 19259 101 1 17 "Average Difference" CB 39 0.942 -0.174 0.937 19259 102 1 17 "Average Difference" HN 36 0.369 -0.058 0.369 19259 103 1 18 "Average Difference" N 36 2.319 -0.453 2.307 19259 104 1 18 "Average Difference" HA 43 0.355 0.007 0.359 19259 105 1 18 "Average Difference" C 38 0.905 -0.006 0.917 19259 106 1 18 "Average Difference" CA 41 0.876 -0.270 0.844 19259 107 1 18 "Average Difference" CB 39 0.857 -0.076 0.864 19259 108 1 18 "Average Difference" HN 36 0.314 -0.088 0.305 19259 109 1 19 "Average Difference" N 36 2.278 -0.098 2.309 19259 110 1 19 "Average Difference" HA 43 0.344 -0.031 0.347 19259 111 1 19 "Average Difference" C 38 0.929 0.023 0.942 19259 112 1 19 "Average Difference" CA 41 0.914 -0.139 0.915 19259 113 1 19 "Average Difference" CB 39 1.031 -0.224 1.020 19259 114 1 19 "Average Difference" HN 36 0.315 -0.055 0.314 19259 115 1 20 "Average Difference" N 36 2.460 0.028 2.494 19259 116 1 20 "Average Difference" HA 43 0.363 -0.010 0.368 19259 117 1 20 "Average Difference" C 38 0.937 -0.053 0.948 19259 118 1 20 "Average Difference" CA 41 0.880 -0.185 0.871 19259 119 1 20 "Average Difference" CB 39 0.966 -0.249 0.945 19259 120 1 20 "Average Difference" HN 36 0.369 -0.068 0.368 19259 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 19259 _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 LEU HA H 2 4.363 4.363 4.576 -0.213 19259 2 1 . 1 1 2 2 LEU C C 2 177.746 177.746 176.620 1.126 19259 3 1 . 1 1 2 2 LEU CA C 2 55.603 55.603 55.042 0.561 19259 4 1 . 1 1 2 2 LEU CB C 2 42.291 42.291 42.493 -0.202 19259 5 1 . 1 1 3 3 GLU N N 3 121.500 121.500 119.936 1.564 19259 6 1 . 1 1 3 3 GLU HA H 3 4.246 4.246 4.336 -0.090 19259 7 1 . 1 1 3 3 GLU C C 3 176.318 176.318 175.747 0.571 19259 8 1 . 1 1 3 3 GLU CA C 3 57.142 57.142 56.464 0.678 19259 9 1 . 1 1 3 3 GLU CB C 3 29.710 29.710 30.478 -0.768 19259 10 1 . 1 1 3 3 GLU H H 3 8.898 8.898 8.467 0.431 19259 11 1 . 1 1 4 4 HIS N N 4 120.262 120.262 118.362 1.900 19259 12 1 . 1 1 4 4 HIS HA H 4 4.632 4.632 4.660 -0.028 19259 13 1 . 1 1 4 4 HIS C C 4 175.449 175.449 174.670 0.779 19259 14 1 . 1 1 4 4 HIS CA C 4 56.614 56.614 55.939 0.675 19259 15 1 . 1 1 4 4 HIS CB C 4 30.860 30.860 30.233 0.627 19259 16 1 . 1 1 4 4 HIS H H 4 8.307 8.307 8.200 0.107 19259 17 1 . 1 1 5 5 MET N N 5 122.219 122.219 120.403 1.816 19259 18 1 . 1 1 5 5 MET HA H 5 4.473 4.473 4.517 -0.044 19259 19 1 . 1 1 5 5 MET C C 5 175.854 175.854 175.101 0.754 19259 20 1 . 1 1 5 5 MET CA C 5 55.366 55.366 55.345 0.021 19259 21 1 . 1 1 5 5 MET CB C 5 32.921 32.921 32.786 0.135 19259 22 1 . 1 1 5 5 MET H H 5 8.241 8.241 8.135 0.106 19259 23 1 . 1 1 6 6 ALA N N 6 125.321 125.321 125.361 -0.040 19259 24 1 . 1 1 6 6 ALA HA H 6 4.318 4.318 4.544 -0.226 19259 25 1 . 1 1 6 6 ALA C C 6 177.612 177.612 176.334 1.278 19259 26 1 . 1 1 6 6 ALA CA C 6 52.695 52.695 51.796 0.899 19259 27 1 . 1 1 6 6 ALA CB C 6 19.305 19.305 20.511 -1.206 19259 28 1 . 1 1 6 6 ALA H H 6 8.388 8.388 8.203 0.185 19259 29 1 . 1 1 7 7 ASP N N 7 119.856 119.856 120.853 -0.997 19259 30 1 . 1 1 7 7 ASP HA H 7 4.598 4.598 4.535 0.063 19259 31 1 . 1 1 7 7 ASP C C 7 176.539 176.539 177.390 -0.851 19259 32 1 . 1 1 7 7 ASP CA C 7 54.582 54.582 55.618 -1.036 19259 33 1 . 1 1 7 7 ASP CB C 7 41.228 41.228 41.364 -0.136 19259 34 1 . 1 1 7 7 ASP H H 7 8.389 8.389 8.686 -0.297 19259 35 1 . 1 1 8 8 GLU N N 8 121.214 121.214 119.688 1.526 19259 36 1 . 1 1 8 8 GLU HA H 8 4.283 4.283 4.019 0.264 19259 37 1 . 1 1 8 8 GLU C C 8 176.568 176.568 177.530 -0.962 19259 38 1 . 1 1 8 8 GLU CA C 8 56.778 56.778 58.433 -1.655 19259 39 1 . 1 1 8 8 GLU CB C 8 30.375 30.375 28.915 1.460 19259 40 1 . 1 1 8 8 GLU H H 8 8.418 8.418 8.658 -0.240 19259 41 1 . 1 1 9 9 GLU N N 9 122.013 122.013 118.591 3.422 19259 42 1 . 1 1 9 9 GLU HA H 9 4.263 4.263 4.245 0.018 19259 43 1 . 1 1 9 9 GLU C C 9 176.229 176.229 176.435 -0.206 19259 44 1 . 1 1 9 9 GLU CA C 9 56.476 56.476 56.934 -0.458 19259 45 1 . 1 1 9 9 GLU CB C 9 30.398 30.398 29.684 0.714 19259 46 1 . 1 1 9 9 GLU H H 9 8.432 8.432 8.143 0.289 19259 47 1 . 1 1 10 10 LYS N N 10 123.906 123.906 120.830 3.076 19259 48 1 . 1 1 10 10 LYS HA H 10 4.322 4.322 4.346 -0.024 19259 49 1 . 1 1 10 10 LYS C C 10 176.291 176.291 176.098 0.193 19259 50 1 . 1 1 10 10 LYS CA C 10 56.395 56.395 55.260 1.135 19259 51 1 . 1 1 10 10 LYS CB C 10 32.633 32.633 31.742 0.891 19259 52 1 . 1 1 10 10 LYS H H 10 8.355 8.355 7.669 0.686 19259 53 1 . 1 1 11 11 LEU N N 11 125.459 125.459 126.079 -0.620 19259 54 1 . 1 1 11 11 LEU HA H 11 4.702 4.702 4.118 0.584 19259 55 1 . 1 1 11 11 LEU C C 11 174.150 174.150 175.988 -1.838 19259 56 1 . 1 1 11 11 LEU CA C 11 52.658 52.658 53.317 -0.659 19259 57 1 . 1 1 11 11 LEU CB C 11 42.450 42.450 40.508 1.942 19259 58 1 . 1 1 11 11 LEU H H 11 8.640 8.640 8.165 0.475 19259 59 1 . 1 1 12 12 PRO HA H 12 4.884 4.884 4.658 0.226 19259 60 1 . 1 1 12 12 PRO CA C 12 61.546 61.546 61.311 0.235 19259 61 1 . 1 1 12 12 PRO CB C 12 29.864 29.864 30.893 -1.029 19259 62 1 . 1 1 13 13 PRO HA H 13 4.388 4.388 4.314 0.074 19259 63 1 . 1 1 13 13 PRO C C 13 177.111 177.111 177.577 -0.466 19259 64 1 . 1 1 13 13 PRO CA C 13 64.395 64.395 64.032 0.363 19259 65 1 . 1 1 13 13 PRO CB C 13 32.017 32.017 31.372 0.645 19259 66 1 . 1 1 14 14 GLY N N 14 111.924 111.924 110.690 1.234 19259 67 1 . 1 1 14 14 GLY C C 14 172.870 172.870 173.633 -0.763 19259 68 1 . 1 1 14 14 GLY CA C 14 45.003 45.003 44.662 0.341 19259 69 1 . 1 1 14 14 GLY H H 14 8.807 8.807 8.607 0.200 19259 70 1 . 1 1 15 15 TRP N N 15 117.136 117.136 121.037 -3.901 19259 71 1 . 1 1 15 15 TRP HA H 15 5.326 5.326 5.193 0.133 19259 72 1 . 1 1 15 15 TRP C C 15 176.588 176.588 176.292 0.296 19259 73 1 . 1 1 15 15 TRP CA C 15 57.191 57.191 57.119 0.072 19259 74 1 . 1 1 15 15 TRP CB C 15 32.599 32.599 30.705 1.894 19259 75 1 . 1 1 15 15 TRP H H 15 7.409 7.409 7.814 -0.405 19259 76 1 . 1 1 16 16 GLU N N 16 120.872 120.872 120.923 -0.051 19259 77 1 . 1 1 16 16 GLU HA H 16 4.875 4.875 4.779 0.096 19259 78 1 . 1 1 16 16 GLU C C 16 174.090 174.090 175.024 -0.934 19259 79 1 . 1 1 16 16 GLU CA C 16 54.801 54.801 55.089 -0.288 19259 80 1 . 1 1 16 16 GLU CB C 16 34.718 34.718 34.153 0.565 19259 81 1 . 1 1 16 16 GLU H H 16 9.858 9.858 9.128 0.730 19259 82 1 . 1 1 17 17 LYS N N 17 125.521 125.521 126.822 -1.301 19259 83 1 . 1 1 17 17 LYS HA H 17 4.453 4.453 4.776 -0.323 19259 84 1 . 1 1 17 17 LYS C C 17 175.474 175.474 176.089 -0.615 19259 85 1 . 1 1 17 17 LYS CA C 17 56.241 56.241 56.651 -0.410 19259 86 1 . 1 1 17 17 LYS CB C 17 33.977 33.977 33.081 0.896 19259 87 1 . 1 1 17 17 LYS H H 17 8.980 8.980 8.772 0.208 19259 88 1 . 1 1 18 18 ARG N N 18 127.083 127.083 125.280 1.803 19259 89 1 . 1 1 18 18 ARG HA H 18 4.453 4.453 4.635 -0.182 19259 90 1 . 1 1 18 18 ARG C C 18 173.135 173.135 173.728 -0.593 19259 91 1 . 1 1 18 18 ARG CA C 18 54.612 54.612 53.588 1.024 19259 92 1 . 1 1 18 18 ARG CB C 18 34.628 34.628 33.879 0.749 19259 93 1 . 1 1 18 18 ARG H H 18 8.829 8.829 8.568 0.261 19259 94 1 . 1 1 19 19 MET N N 19 117.317 117.317 119.676 -2.359 19259 95 1 . 1 1 19 19 MET HA H 19 5.027 5.027 5.193 -0.166 19259 96 1 . 1 1 19 19 MET C C 19 176.132 176.132 174.894 1.238 19259 97 1 . 1 1 19 19 MET CA C 19 54.195 54.195 54.452 -0.257 19259 98 1 . 1 1 19 19 MET CB C 19 35.215 35.215 36.446 -1.231 19259 99 1 . 1 1 19 19 MET H H 19 8.131 8.131 8.437 -0.306 19259 100 1 . 1 1 20 20 GLU N N 20 129.506 129.506 124.971 4.535 19259 101 1 . 1 1 20 20 GLU HA H 20 4.589 4.589 4.431 0.158 19259 102 1 . 1 1 20 20 GLU C C 20 176.857 176.857 177.118 -0.261 19259 103 1 . 1 1 20 20 GLU CA C 20 56.589 56.589 56.675 -0.085 19259 104 1 . 1 1 20 20 GLU CB C 20 30.159 30.159 30.604 -0.445 19259 105 1 . 1 1 20 20 GLU H H 20 9.531 9.531 8.975 0.556 19259 106 1 . 1 1 21 21 ARG N N 21 129.016 129.016 126.323 2.693 19259 107 1 . 1 1 21 21 ARG HA H 21 3.993 3.993 4.166 -0.173 19259 108 1 . 1 1 21 21 ARG CA C 21 59.608 59.608 58.224 1.384 19259 109 1 . 1 1 21 21 ARG CB C 21 30.092 30.092 29.921 0.171 19259 110 1 . 1 1 21 21 ARG H H 21 8.991 8.991 8.809 0.182 19259 111 1 . 1 1 22 22 SER HA H 22 4.244 4.244 4.301 -0.057 19259 112 1 . 1 1 22 22 SER CA C 22 61.081 61.081 60.554 0.527 19259 113 1 . 1 1 22 22 SER CB C 22 62.480 62.480 63.283 -0.803 19259 114 1 . 1 1 23 23 SER N N 23 114.105 114.105 113.557 0.548 19259 115 1 . 1 1 23 23 SER HA H 23 4.628 4.628 4.602 0.026 19259 116 1 . 1 1 23 23 SER C C 23 176.288 176.288 174.125 2.163 19259 117 1 . 1 1 23 23 SER CA C 23 58.442 58.442 58.513 -0.070 19259 118 1 . 1 1 23 23 SER CB C 23 65.782 65.782 65.600 0.182 19259 119 1 . 1 1 23 23 SER H H 23 7.884 7.884 7.826 0.058 19259 120 1 . 1 1 24 24 GLY N N 24 113.237 113.237 111.413 1.824 19259 121 1 . 1 1 24 24 GLY C C 24 173.669 173.669 173.156 0.513 19259 122 1 . 1 1 24 24 GLY CA C 24 46.148 46.148 45.258 0.890 19259 123 1 . 1 1 24 24 GLY H H 24 8.434 8.434 8.184 0.250 19259 124 1 . 1 1 25 25 ARG N N 25 120.269 120.269 120.697 -0.428 19259 125 1 . 1 1 25 25 ARG HA H 25 4.405 4.405 4.800 -0.395 19259 126 1 . 1 1 25 25 ARG C C 25 175.948 175.948 175.340 0.608 19259 127 1 . 1 1 25 25 ARG CA C 25 56.885 56.885 54.234 2.650 19259 128 1 . 1 1 25 25 ARG CB C 25 32.720 32.720 32.986 -0.266 19259 129 1 . 1 1 25 25 ARG H H 25 8.058 8.058 7.743 0.315 19259 130 1 . 1 1 26 26 VAL N N 26 124.651 124.651 127.229 -2.578 19259 131 1 . 1 1 26 26 VAL HA H 26 4.742 4.742 4.723 0.019 19259 132 1 . 1 1 26 26 VAL C C 26 175.406 175.406 175.874 -0.468 19259 133 1 . 1 1 26 26 VAL CA C 26 62.166 62.166 62.862 -0.696 19259 134 1 . 1 1 26 26 VAL CB C 26 33.116 33.116 32.132 0.984 19259 135 1 . 1 1 26 26 VAL H H 26 8.508 8.508 8.737 -0.229 19259 136 1 . 1 1 27 27 TYR N N 27 121.966 121.966 121.525 0.442 19259 137 1 . 1 1 27 27 TYR HA H 27 4.882 4.882 4.476 0.405 19259 138 1 . 1 1 27 27 TYR C C 27 170.726 170.726 172.341 -1.615 19259 139 1 . 1 1 27 27 TYR CA C 27 55.455 55.455 55.858 -0.403 19259 140 1 . 1 1 27 27 TYR CB C 27 39.688 39.688 38.958 0.730 19259 141 1 . 1 1 27 27 TYR H H 27 8.664 8.664 8.728 -0.064 19259 142 1 . 1 1 28 28 TYR N N 28 116.945 116.945 116.621 0.324 19259 143 1 . 1 1 28 28 TYR HA H 28 5.271 5.271 5.235 0.036 19259 144 1 . 1 1 28 28 TYR C C 28 174.230 174.230 174.549 -0.319 19259 145 1 . 1 1 28 28 TYR CA C 28 57.206 57.206 55.889 1.318 19259 146 1 . 1 1 28 28 TYR CB C 28 41.348 41.348 41.353 -0.005 19259 147 1 . 1 1 28 28 TYR H H 28 9.005 9.005 8.898 0.107 19259 148 1 . 1 1 29 29 PHE N N 29 124.745 124.745 122.881 1.864 19259 149 1 . 1 1 29 29 PHE HA H 29 5.609 5.609 5.170 0.439 19259 150 1 . 1 1 29 29 PHE C C 29 172.658 172.658 173.460 -0.802 19259 151 1 . 1 1 29 29 PHE CA C 29 56.012 56.012 56.399 -0.387 19259 152 1 . 1 1 29 29 PHE CB C 29 44.437 44.437 43.460 0.977 19259 153 1 . 1 1 29 29 PHE H H 29 9.452 9.452 9.516 -0.064 19259 154 1 . 1 1 30 30 ASN N N 30 128.963 128.963 126.170 2.793 19259 155 1 . 1 1 30 30 ASN HA H 30 4.446 4.446 4.528 -0.082 19259 156 1 . 1 1 30 30 ASN C C 30 174.664 174.664 175.673 -1.009 19259 157 1 . 1 1 30 30 ASN CA C 30 50.619 50.619 50.691 -0.072 19259 158 1 . 1 1 30 30 ASN CB C 30 38.173 38.173 37.761 0.411 19259 159 1 . 1 1 30 30 ASN H H 30 8.122 8.122 7.992 0.130 19259 160 1 . 1 1 31 31 HIS N N 31 121.463 121.463 124.890 -3.427 19259 161 1 . 1 1 31 31 HIS HA H 31 4.118 4.118 4.691 -0.574 19259 162 1 . 1 1 31 31 HIS C C 31 176.235 176.235 176.301 -0.066 19259 163 1 . 1 1 31 31 HIS CA C 31 57.859 57.859 57.834 0.025 19259 164 1 . 1 1 31 31 HIS CB C 31 30.471 30.471 29.783 0.688 19259 165 1 . 1 1 31 31 HIS H H 31 8.207 8.207 8.900 -0.693 19259 166 1 . 1 1 32 32 ILE N N 32 121.544 121.544 120.119 1.425 19259 167 1 . 1 1 32 32 ILE HA H 32 3.861 3.861 3.775 0.086 19259 168 1 . 1 1 32 32 ILE C C 32 178.224 178.224 177.336 0.888 19259 169 1 . 1 1 32 32 ILE CA C 32 63.411 63.411 63.832 -0.421 19259 170 1 . 1 1 32 32 ILE CB C 32 37.198 37.198 38.239 -1.041 19259 171 1 . 1 1 32 32 ILE H H 32 8.264 8.264 8.001 0.263 19259 172 1 . 1 1 33 33 THR N N 33 107.975 107.975 111.730 -3.755 19259 173 1 . 1 1 33 33 THR HA H 33 4.119 4.119 4.273 -0.154 19259 174 1 . 1 1 33 33 THR C C 33 176.113 176.113 174.484 1.629 19259 175 1 . 1 1 33 33 THR CA C 33 61.307 61.307 61.080 0.227 19259 176 1 . 1 1 33 33 THR CB C 33 70.083 70.083 69.450 0.633 19259 177 1 . 1 1 33 33 THR H H 33 7.434 7.434 7.389 0.045 19259 178 1 . 1 1 34 34 ASN N N 34 118.294 118.294 117.659 0.635 19259 179 1 . 1 1 34 34 ASN HA H 34 4.122 4.122 4.145 -0.023 19259 180 1 . 1 1 34 34 ASN C C 34 173.358 173.358 173.712 -0.354 19259 181 1 . 1 1 34 34 ASN CA C 34 55.048 55.048 53.964 1.084 19259 182 1 . 1 1 34 34 ASN CB C 34 37.600 37.600 37.554 0.046 19259 183 1 . 1 1 34 34 ASN H H 34 8.094 8.094 7.960 0.135 19259 184 1 . 1 1 35 35 ALA N N 35 121.778 121.778 120.889 0.889 19259 185 1 . 1 1 35 35 ALA HA H 35 4.453 4.453 4.388 0.065 19259 186 1 . 1 1 35 35 ALA C C 35 175.421 175.421 175.356 0.065 19259 187 1 . 1 1 35 35 ALA CA C 35 52.057 52.057 51.317 0.740 19259 188 1 . 1 1 35 35 ALA CB C 35 20.874 20.874 20.784 0.090 19259 189 1 . 1 1 35 35 ALA H H 35 7.132 7.132 7.289 -0.157 19259 190 1 . 1 1 36 36 SER N N 36 112.243 112.243 112.488 -0.245 19259 191 1 . 1 1 36 36 SER HA H 36 6.027 6.027 5.114 0.913 19259 192 1 . 1 1 36 36 SER C C 36 174.068 174.068 173.430 0.638 19259 193 1 . 1 1 36 36 SER CA C 36 56.932 56.932 57.847 -0.915 19259 194 1 . 1 1 36 36 SER CB C 36 66.691 66.691 65.765 0.926 19259 195 1 . 1 1 36 36 SER H H 36 8.293 8.293 8.213 0.080 19259 196 1 . 1 1 37 37 GLN N N 37 116.909 116.909 120.719 -3.810 19259 197 1 . 1 1 37 37 GLN HA H 37 4.862 4.862 4.632 0.230 19259 198 1 . 1 1 37 37 GLN C C 37 174.646 174.646 174.418 0.228 19259 199 1 . 1 1 37 37 GLN CA C 37 54.778 54.778 55.496 -0.718 19259 200 1 . 1 1 37 37 GLN CB C 37 32.052 32.052 32.717 -0.665 19259 201 1 . 1 1 37 37 GLN H H 37 9.371 9.371 9.141 0.230 19259 202 1 . 1 1 38 38 TRP N N 38 120.433 120.433 119.653 0.780 19259 203 1 . 1 1 38 38 TRP HA H 38 4.985 4.985 4.687 0.298 19259 204 1 . 1 1 38 38 TRP C C 38 177.071 177.071 176.548 0.523 19259 205 1 . 1 1 38 38 TRP CA C 38 58.818 58.818 57.743 1.075 19259 206 1 . 1 1 38 38 TRP CB C 38 30.624 30.624 30.364 0.259 19259 207 1 . 1 1 38 38 TRP H H 38 8.547 8.547 8.919 -0.372 19259 208 1 . 1 1 39 39 GLU N N 39 117.074 117.074 119.956 -2.882 19259 209 1 . 1 1 39 39 GLU HA H 39 4.451 4.451 4.503 -0.052 19259 210 1 . 1 1 39 39 GLU C C 39 175.702 175.702 176.497 -0.795 19259 211 1 . 1 1 39 39 GLU CA C 39 55.792 55.792 55.900 -0.108 19259 212 1 . 1 1 39 39 GLU CB C 39 30.331 30.331 30.313 0.018 19259 213 1 . 1 1 39 39 GLU H H 39 8.065 8.065 8.146 -0.081 19259 214 1 . 1 1 40 40 ARG N N 40 125.177 125.177 123.422 1.755 19259 215 1 . 1 1 40 40 ARG HA H 40 2.664 2.664 3.909 -1.245 19259 216 1 . 1 1 40 40 ARG C C 40 174.604 174.604 174.762 -0.158 19259 217 1 . 1 1 40 40 ARG CA C 40 54.215 54.215 55.328 -1.113 19259 218 1 . 1 1 40 40 ARG CB C 40 30.063 30.063 29.418 0.645 19259 219 1 . 1 1 40 40 ARG H H 40 8.549 8.549 8.595 -0.046 19259 220 1 . 1 1 41 41 PRO HA H 41 3.931 3.931 4.102 -0.171 19259 221 1 . 1 1 41 41 PRO C C 41 175.431 175.431 175.637 -0.206 19259 222 1 . 1 1 41 41 PRO CA C 41 61.969 61.969 61.826 0.143 19259 223 1 . 1 1 41 41 PRO CB C 41 31.362 31.362 31.298 0.064 19259 224 1 . 1 1 42 42 SER N N 42 115.527 115.527 113.730 1.797 19259 225 1 . 1 1 42 42 SER HA H 42 4.321 4.321 4.468 -0.147 19259 226 1 . 1 1 42 42 SER C C 42 173.826 173.826 174.145 -0.319 19259 227 1 . 1 1 42 42 SER CA C 42 57.886 57.886 57.831 0.055 19259 228 1 . 1 1 42 42 SER CB C 42 64.524 64.524 64.499 0.025 19259 229 1 . 1 1 42 42 SER H H 42 8.201 8.201 8.050 0.151 19259 stop_ save_