data_25810 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25810 _Entry.PDB_ID 2N7L 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 25810 _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 -9 -9 HIS CB C -9 30.577 30.577 30.072 0.505 25810 2 1 1 . 1 1 -7 -7 GLY N N -7 108.818 108.818 108.394 0.424 25810 3 1 1 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.661 0.522 25810 4 1 1 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.784 -0.454 25810 5 1 1 . 1 1 0 0 ASP N N 0 115.716 115.716 114.274 1.442 25810 6 1 1 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.671 -0.183 25810 7 1 1 . 1 1 0 0 ASP CA C 0 58.683 58.683 57.822 0.861 25810 8 1 1 . 1 1 0 0 ASP CB C 0 63.996 63.996 64.181 -0.185 25810 9 1 1 . 1 1 0 0 ASP H H 0 8.155 8.155 7.666 0.489 25810 10 1 1 . 1 1 1 1 MET N N 1 121.815 121.815 117.896 3.919 25810 11 1 1 . 1 1 1 1 MET HA H 1 4.450 4.450 4.178 0.272 25810 12 1 1 . 1 1 1 1 MET CA C 1 55.996 55.996 56.805 -0.809 25810 13 1 1 . 1 1 1 1 MET CB C 1 32.334 32.334 31.782 0.552 25810 14 1 1 . 1 1 1 1 MET H H 1 8.553 8.553 8.299 0.254 25810 15 1 1 . 1 1 2 2 ASP N N 2 119.828 119.828 119.003 0.825 25810 16 1 1 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.514 -0.033 25810 17 1 1 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.555 -1.432 25810 18 1 1 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.849 1.262 25810 19 1 1 . 1 1 3 3 ASP N N 3 119.912 119.912 119.573 0.339 25810 20 1 1 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.379 0.097 25810 21 1 1 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.994 -0.774 25810 22 1 1 . 1 1 3 3 ASP CB C 3 40.942 40.942 39.538 1.404 25810 23 1 1 . 1 1 3 3 ASP H H 3 8.098 8.098 8.920 -0.822 25810 24 1 1 . 1 1 4 4 ILE N N 4 120.617 120.617 121.295 -0.678 25810 25 1 1 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.560 0.287 25810 26 1 1 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.566 -0.729 25810 27 1 1 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.673 0.115 25810 28 1 1 . 1 1 4 4 ILE H H 4 7.897 7.897 7.066 0.831 25810 29 1 1 . 1 1 5 5 TYR N N 5 121.116 121.116 118.681 2.435 25810 30 1 1 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.024 0.284 25810 31 1 1 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.727 -1.476 25810 32 1 1 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.717 -0.128 25810 33 1 1 . 1 1 5 5 TYR H H 5 7.961 7.961 7.585 0.376 25810 34 1 1 . 1 1 6 6 LYS N N 6 120.005 120.005 118.859 1.146 25810 35 1 1 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.936 -0.013 25810 36 1 1 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.080 0.464 25810 37 1 1 . 1 1 6 6 LYS CB C 6 32.355 32.355 31.948 0.407 25810 38 1 1 . 1 1 6 6 LYS H H 6 8.008 8.008 8.503 -0.495 25810 39 1 1 . 1 1 7 7 ALA N N 7 120.589 120.589 121.110 -0.521 25810 40 1 1 . 1 1 7 7 ALA HA H 7 4.154 4.154 3.974 0.180 25810 41 1 1 . 1 1 7 7 ALA CA C 7 54.517 54.517 55.019 -0.502 25810 42 1 1 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.102 -0.016 25810 43 1 1 . 1 1 7 7 ALA H H 7 7.816 7.816 8.174 -0.358 25810 44 1 1 . 1 1 8 8 ALA N N 8 120.065 120.065 121.345 -1.280 25810 45 1 1 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.945 0.209 25810 46 1 1 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.031 -0.333 25810 47 1 1 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.100 0.383 25810 48 1 1 . 1 1 8 8 ALA H H 8 7.622 7.622 7.727 -0.105 25810 49 1 1 . 1 1 9 9 VAL N N 9 118.101 118.101 118.605 -0.504 25810 50 1 1 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.826 -0.267 25810 51 1 1 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.487 -0.453 25810 52 1 1 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.212 0.470 25810 53 1 1 . 1 1 9 9 VAL H H 9 7.974 7.974 8.035 -0.061 25810 54 1 1 . 1 1 10 10 GLU N N 10 118.217 118.217 118.005 0.212 25810 55 1 1 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.050 0.077 25810 56 1 1 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.930 -0.661 25810 57 1 1 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.395 0.169 25810 58 1 1 . 1 1 10 10 GLU H H 10 7.682 7.682 7.932 -0.250 25810 59 1 1 . 1 1 11 11 GLN N N 11 114.903 114.903 115.869 -0.966 25810 60 1 1 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.300 0.023 25810 61 1 1 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.569 -0.917 25810 62 1 1 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.130 -0.683 25810 63 1 1 . 1 1 11 11 GLN H H 11 7.404 7.404 7.772 -0.368 25810 64 1 1 . 1 1 12 12 LEU N N 12 120.467 120.467 121.064 -0.597 25810 65 1 1 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.604 -0.022 25810 66 1 1 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.739 1.258 25810 67 1 1 . 1 1 12 12 LEU CB C 12 43.566 43.566 43.177 0.389 25810 68 1 1 . 1 1 12 12 LEU H H 12 7.354 7.354 8.279 -0.925 25810 69 1 1 . 1 1 13 13 THR N N 13 113.431 113.431 114.394 -0.963 25810 70 1 1 . 1 1 13 13 THR HA H 13 4.462 4.462 4.473 -0.011 25810 71 1 1 . 1 1 13 13 THR CA C 13 60.759 60.759 60.297 0.462 25810 72 1 1 . 1 1 13 13 THR CB C 13 71.101 71.101 70.328 0.773 25810 73 1 1 . 1 1 13 13 THR H H 13 8.844 8.844 8.446 0.398 25810 74 1 1 . 1 1 14 14 GLU N N 14 121.790 121.790 121.230 0.560 25810 75 1 1 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.043 -0.080 25810 76 1 1 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.493 -0.619 25810 77 1 1 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.048 0.270 25810 78 1 1 . 1 1 14 14 GLU H H 14 9.013 9.013 8.952 0.061 25810 79 1 1 . 1 1 15 15 GLU N N 15 117.495 117.495 118.491 -0.996 25810 80 1 1 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.127 -0.067 25810 81 1 1 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.267 1.065 25810 82 1 1 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.342 -0.166 25810 83 1 1 . 1 1 15 15 GLU H H 15 8.653 8.653 8.560 0.093 25810 84 1 1 . 1 1 16 16 GLN N N 16 119.205 119.205 119.287 -0.082 25810 85 1 1 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.140 -0.283 25810 86 1 1 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.344 0.604 25810 87 1 1 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.459 1.272 25810 88 1 1 . 1 1 16 16 GLN H H 16 7.839 7.839 7.758 0.081 25810 89 1 1 . 1 1 17 17 LYS N N 17 119.027 119.027 119.906 -0.879 25810 90 1 1 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.988 0.036 25810 91 1 1 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.932 1.756 25810 92 1 1 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.291 -0.235 25810 93 1 1 . 1 1 17 17 LYS H H 17 8.539 8.539 8.373 0.166 25810 94 1 1 . 1 1 18 18 ASN N N 18 117.428 117.428 117.814 -0.386 25810 95 1 1 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.455 0.107 25810 96 1 1 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.611 -0.438 25810 97 1 1 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.418 -0.614 25810 98 1 1 . 1 1 18 18 ASN H H 18 8.552 8.552 7.972 0.580 25810 99 1 1 . 1 1 19 19 GLU N N 19 123.611 123.611 121.032 2.579 25810 100 1 1 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.112 0.093 25810 101 1 1 . 1 1 19 19 GLU CA C 19 59.798 59.798 58.960 0.838 25810 102 1 1 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.432 -0.026 25810 103 1 1 . 1 1 19 19 GLU H H 19 8.012 8.012 7.768 0.244 25810 104 1 1 . 1 1 20 20 PHE N N 20 117.357 117.357 121.040 -3.683 25810 105 1 1 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.139 0.715 25810 106 1 1 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.697 -0.964 25810 107 1 1 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.107 -0.785 25810 108 1 1 . 1 1 20 20 PHE H H 20 8.320 8.320 8.379 -0.059 25810 109 1 1 . 1 1 21 21 LYS N N 21 122.064 122.064 118.757 3.307 25810 110 1 1 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.772 0.253 25810 111 1 1 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.745 -1.071 25810 112 1 1 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.222 -0.538 25810 113 1 1 . 1 1 21 21 LYS H H 21 8.864 8.864 8.024 0.840 25810 114 1 1 . 1 1 22 22 ALA N N 22 121.827 121.827 121.716 0.111 25810 115 1 1 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.133 0.080 25810 116 1 1 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.330 -0.599 25810 117 1 1 . 1 1 22 22 ALA H H 22 8.009 8.009 7.590 0.419 25810 118 1 1 . 1 1 23 23 ALA N N 23 119.945 119.945 121.522 -1.577 25810 119 1 1 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.075 0.054 25810 120 1 1 . 1 1 23 23 ALA CA C 23 55.339 55.339 55.070 0.269 25810 121 1 1 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.444 0.542 25810 122 1 1 . 1 1 23 23 ALA H H 23 8.178 8.178 7.858 0.320 25810 123 1 1 . 1 1 24 24 PHE N N 24 121.275 121.275 118.887 2.388 25810 124 1 1 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.826 -0.288 25810 125 1 1 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.244 1.169 25810 126 1 1 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.838 0.903 25810 127 1 1 . 1 1 24 24 PHE H H 24 8.925 8.925 8.037 0.888 25810 128 1 1 . 1 1 25 25 ASP N N 25 117.407 117.407 120.033 -2.626 25810 129 1 1 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.159 0.105 25810 130 1 1 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.613 -0.599 25810 131 1 1 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.211 -0.314 25810 132 1 1 . 1 1 25 25 ASP H H 25 8.714 8.714 8.197 0.517 25810 133 1 1 . 1 1 26 26 ILE N N 26 119.320 119.320 119.800 -0.480 25810 134 1 1 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.668 0.149 25810 135 1 1 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.906 -1.492 25810 136 1 1 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.101 -0.659 25810 137 1 1 . 1 1 26 26 ILE H H 26 7.337 7.337 7.486 -0.149 25810 138 1 1 . 1 1 27 27 PHE N N 27 123.734 123.734 117.913 5.821 25810 139 1 1 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.137 -0.561 25810 140 1 1 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.453 2.165 25810 141 1 1 . 1 1 27 27 PHE H H 27 8.139 8.139 7.959 0.180 25810 142 1 1 . 1 1 28 28 VAL N N 28 105.007 105.007 117.739 -12.732 25810 143 1 1 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.568 0.515 25810 144 1 1 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.495 -2.339 25810 145 1 1 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.325 0.067 25810 146 1 1 . 1 1 28 28 VAL H H 28 7.505 7.505 7.687 -0.182 25810 147 1 1 . 1 1 29 29 LEU N N 29 126.175 126.175 120.313 5.862 25810 148 1 1 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.006 0.089 25810 149 1 1 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.246 1.250 25810 150 1 1 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.958 -0.383 25810 151 1 1 . 1 1 29 29 LEU H H 29 7.274 7.274 7.324 -0.050 25810 152 1 1 . 1 1 30 30 GLY N N 30 113.173 113.173 109.767 3.406 25810 153 1 1 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.757 0.783 25810 154 1 1 . 1 1 30 30 GLY H H 30 8.950 8.950 8.485 0.465 25810 155 1 1 . 1 1 31 31 ALA N N 31 124.109 124.109 122.869 1.240 25810 156 1 1 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.148 0.309 25810 157 1 1 . 1 1 31 31 ALA CA C 31 52.228 52.228 52.344 -0.117 25810 158 1 1 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.202 0.720 25810 159 1 1 . 1 1 31 31 ALA H H 31 8.131 8.131 7.407 0.724 25810 160 1 1 . 1 1 32 32 GLU N N 32 124.956 124.956 123.920 1.036 25810 161 1 1 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.083 0.017 25810 162 1 1 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.900 0.193 25810 163 1 1 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.975 -0.089 25810 164 1 1 . 1 1 32 32 GLU H H 32 9.204 9.204 9.002 0.202 25810 165 1 1 . 1 1 33 33 ASP N N 33 115.544 115.544 116.972 -1.428 25810 166 1 1 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.646 0.119 25810 167 1 1 . 1 1 33 33 ASP CA C 33 53.071 53.071 53.778 -0.707 25810 168 1 1 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.670 0.713 25810 169 1 1 . 1 1 33 33 ASP H H 33 8.156 8.156 8.222 -0.066 25810 170 1 1 . 1 1 34 34 GLY N N 34 105.580 105.580 108.251 -2.671 25810 171 1 1 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.025 1.714 25810 172 1 1 . 1 1 34 34 GLY H H 34 7.582 7.582 8.283 -0.701 25810 173 1 1 . 1 1 35 35 SER N N 35 113.292 113.292 116.075 -2.783 25810 174 1 1 . 1 1 35 35 SER HA H 35 4.960 4.960 4.830 0.130 25810 175 1 1 . 1 1 35 35 SER CA C 35 57.390 57.390 57.496 -0.106 25810 176 1 1 . 1 1 35 35 SER CB C 35 66.240 66.240 66.336 -0.096 25810 177 1 1 . 1 1 35 35 SER H H 35 7.584 7.584 8.542 -0.958 25810 178 1 1 . 1 1 36 36 ILE N N 36 119.513 119.513 122.203 -2.690 25810 179 1 1 . 1 1 36 36 ILE HA H 36 3.763 3.763 3.896 -0.133 25810 180 1 1 . 1 1 36 36 ILE CA C 36 63.288 63.288 63.183 0.105 25810 181 1 1 . 1 1 36 36 ILE CB C 36 39.605 39.605 38.741 0.864 25810 182 1 1 . 1 1 36 36 ILE H H 36 9.028 9.028 8.807 0.221 25810 183 1 1 . 1 1 37 37 SER N N 37 126.146 126.146 120.529 5.617 25810 184 1 1 . 1 1 37 37 SER HA H 37 5.198 5.198 4.765 0.433 25810 185 1 1 . 1 1 37 37 SER CA C 37 57.010 57.010 56.548 0.462 25810 186 1 1 . 1 1 37 37 SER CB C 37 67.563 67.563 65.461 2.102 25810 187 1 1 . 1 1 37 37 SER H H 37 9.571 9.571 8.352 1.219 25810 188 1 1 . 1 1 38 38 THR N N 38 111.059 111.059 115.924 -4.865 25810 189 1 1 . 1 1 38 38 THR HA H 38 4.514 4.514 4.164 0.350 25810 190 1 1 . 1 1 38 38 THR CA C 38 66.653 66.653 65.940 0.713 25810 191 1 1 . 1 1 38 38 THR CB C 38 68.362 68.362 68.820 -0.458 25810 192 1 1 . 1 1 38 38 THR H H 38 8.794 8.794 8.704 0.090 25810 193 1 1 . 1 1 39 39 LYS N N 39 123.369 123.369 120.869 2.500 25810 194 1 1 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.077 -0.021 25810 195 1 1 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.364 0.402 25810 196 1 1 . 1 1 39 39 LYS CB C 39 32.203 32.203 31.743 0.460 25810 197 1 1 . 1 1 39 39 LYS H H 39 8.044 8.044 8.320 -0.276 25810 198 1 1 . 1 1 40 40 GLU N N 40 119.970 119.970 120.289 -0.319 25810 199 1 1 . 1 1 40 40 GLU HA H 40 4.174 4.174 3.983 0.191 25810 200 1 1 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.107 2.165 25810 201 1 1 . 1 1 40 40 GLU CB C 40 30.192 30.192 28.898 1.294 25810 202 1 1 . 1 1 40 40 GLU H H 40 7.714 7.714 8.201 -0.487 25810 203 1 1 . 1 1 41 41 LEU N N 41 119.088 119.088 119.934 -0.846 25810 204 1 1 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.222 0.027 25810 205 1 1 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.677 0.194 25810 206 1 1 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.911 0.325 25810 207 1 1 . 1 1 41 41 LEU H H 41 8.375 8.375 8.134 0.241 25810 208 1 1 . 1 1 42 42 GLY N N 42 106.311 106.311 106.233 0.078 25810 209 1 1 . 1 1 42 42 GLY CA C 42 48.231 48.231 46.989 1.242 25810 210 1 1 . 1 1 42 42 GLY H H 42 8.581 8.581 8.591 -0.010 25810 211 1 1 . 1 1 43 43 LYS N N 43 120.717 120.717 122.827 -2.110 25810 212 1 1 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.991 -0.020 25810 213 1 1 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.390 0.650 25810 214 1 1 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.319 0.074 25810 215 1 1 . 1 1 43 43 LYS H H 43 7.293 7.293 7.741 -0.448 25810 216 1 1 . 1 1 44 44 VAL N N 44 119.884 119.884 119.423 0.461 25810 217 1 1 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.654 -0.013 25810 218 1 1 . 1 1 44 44 VAL CA C 44 66.444 66.444 65.560 0.884 25810 219 1 1 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.814 0.242 25810 220 1 1 . 1 1 44 44 VAL H H 44 7.560 7.560 7.422 0.138 25810 221 1 1 . 1 1 45 45 MET N N 45 117.256 117.256 118.744 -1.488 25810 222 1 1 . 1 1 45 45 MET HA H 45 4.179 4.179 4.188 -0.009 25810 223 1 1 . 1 1 45 45 MET CA C 45 57.934 57.934 57.880 0.054 25810 224 1 1 . 1 1 45 45 MET CB C 45 31.407 31.407 31.339 0.068 25810 225 1 1 . 1 1 45 45 MET H H 45 8.575 8.575 7.626 0.949 25810 226 1 1 . 1 1 46 46 ARG N N 46 118.652 118.652 119.398 -0.746 25810 227 1 1 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.330 0.264 25810 228 1 1 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.072 0.351 25810 229 1 1 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.096 -0.236 25810 230 1 1 . 1 1 46 46 ARG H H 46 8.080 8.080 8.214 -0.134 25810 231 1 1 . 1 1 47 47 MET N N 47 122.632 122.632 120.573 2.059 25810 232 1 1 . 1 1 47 47 MET HA H 47 4.179 4.179 4.176 0.003 25810 233 1 1 . 1 1 47 47 MET CA C 47 59.178 59.178 58.467 0.711 25810 234 1 1 . 1 1 47 47 MET CB C 47 32.669 32.669 32.549 0.120 25810 235 1 1 . 1 1 47 47 MET H H 47 7.864 7.864 7.547 0.317 25810 236 1 1 . 1 1 48 48 LEU N N 48 117.884 117.884 116.359 1.525 25810 237 1 1 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.191 0.171 25810 238 1 1 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.378 -0.840 25810 239 1 1 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.315 -0.496 25810 240 1 1 . 1 1 48 48 LEU H H 48 7.485 7.485 7.721 -0.236 25810 241 1 1 . 1 1 49 49 GLY N N 49 107.912 107.912 105.696 2.216 25810 242 1 1 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.606 1.357 25810 243 1 1 . 1 1 49 49 GLY H H 49 7.884 7.884 7.639 0.245 25810 244 1 1 . 1 1 50 50 GLN N N 50 117.606 117.606 119.760 -2.154 25810 245 1 1 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.459 0.042 25810 246 1 1 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.655 -1.263 25810 247 1 1 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.699 0.074 25810 248 1 1 . 1 1 50 50 GLN H H 50 8.096 8.096 8.192 -0.096 25810 249 1 1 . 1 1 51 51 ASN N N 51 116.663 116.663 120.337 -3.674 25810 250 1 1 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.051 0.071 25810 251 1 1 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.148 1.082 25810 252 1 1 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.566 -0.420 25810 253 1 1 . 1 1 51 51 ASN H H 51 8.693 8.693 8.670 0.023 25810 254 1 1 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.688 0.001 25810 255 1 1 . 1 1 53 53 THR N N 53 113.865 113.865 112.933 0.932 25810 256 1 1 . 1 1 53 53 THR H H 53 8.985 8.985 8.055 0.930 25810 257 1 1 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.176 0.010 25810 258 1 1 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.875 0.387 25810 259 1 1 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.741 0.149 25810 260 1 1 . 1 1 55 55 GLU N N 55 117.475 117.475 117.122 0.353 25810 261 1 1 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.087 -0.043 25810 262 1 1 . 1 1 55 55 GLU CA C 55 60.615 60.615 60.016 0.599 25810 263 1 1 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.864 -0.129 25810 264 1 1 . 1 1 55 55 GLU H H 55 8.785 8.785 8.966 -0.181 25810 265 1 1 . 1 1 56 56 GLU N N 56 121.699 121.699 120.086 1.613 25810 266 1 1 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.113 -0.089 25810 267 1 1 . 1 1 56 56 GLU CA C 56 59.255 59.255 59.255 -0.000 25810 268 1 1 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.649 0.447 25810 269 1 1 . 1 1 56 56 GLU H H 56 7.815 7.815 7.508 0.307 25810 270 1 1 . 1 1 57 57 LEU N N 57 118.421 118.421 120.009 -1.588 25810 271 1 1 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.030 -0.017 25810 272 1 1 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.805 -1.243 25810 273 1 1 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.655 1.077 25810 274 1 1 . 1 1 57 57 LEU H H 57 8.246 8.246 7.808 0.438 25810 275 1 1 . 1 1 58 58 GLN N N 58 118.349 118.349 119.742 -1.393 25810 276 1 1 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.919 -0.222 25810 277 1 1 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.455 -1.118 25810 278 1 1 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.739 -0.171 25810 279 1 1 . 1 1 58 58 GLN H H 58 8.003 8.003 8.264 -0.261 25810 280 1 1 . 1 1 59 59 GLU N N 59 119.049 119.049 119.803 -0.754 25810 281 1 1 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.061 0.036 25810 282 1 1 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.335 0.306 25810 283 1 1 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.572 0.049 25810 284 1 1 . 1 1 59 59 GLU H H 59 7.979 7.979 8.194 -0.215 25810 285 1 1 . 1 1 60 60 MET N N 60 117.492 117.492 118.524 -1.032 25810 286 1 1 . 1 1 60 60 MET HA H 60 4.083 4.083 4.177 -0.094 25810 287 1 1 . 1 1 60 60 MET CA C 60 59.764 59.764 58.389 1.375 25810 288 1 1 . 1 1 60 60 MET CB C 60 34.533 34.533 32.200 2.333 25810 289 1 1 . 1 1 60 60 MET H H 60 7.776 7.776 7.925 -0.149 25810 290 1 1 . 1 1 61 61 ILE N N 61 118.035 118.035 121.086 -3.051 25810 291 1 1 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.605 0.112 25810 292 1 1 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.771 -2.658 25810 293 1 1 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.603 -1.313 25810 294 1 1 . 1 1 61 61 ILE H H 61 7.564 7.564 8.145 -0.581 25810 295 1 1 . 1 1 62 62 ASP N N 62 119.355 119.355 119.887 -0.532 25810 296 1 1 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.548 -0.201 25810 297 1 1 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.265 0.411 25810 298 1 1 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.180 0.172 25810 299 1 1 . 1 1 62 62 ASP H H 62 8.801 8.801 8.141 0.660 25810 300 1 1 . 1 1 63 63 GLU N N 63 116.439 116.439 120.474 -4.035 25810 301 1 1 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.131 -0.068 25810 302 1 1 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.807 0.014 25810 303 1 1 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.718 0.406 25810 304 1 1 . 1 1 63 63 GLU H H 63 7.702 7.702 8.242 -0.540 25810 305 1 1 . 1 1 64 64 VAL N N 64 112.796 112.796 117.793 -4.997 25810 306 1 1 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.987 0.207 25810 307 1 1 . 1 1 64 64 VAL CA C 64 61.611 61.611 63.287 -1.676 25810 308 1 1 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.323 0.341 25810 309 1 1 . 1 1 64 64 VAL H H 64 7.151 7.151 7.920 -0.769 25810 310 1 1 . 1 1 65 65 ASP N N 65 121.138 121.138 119.920 1.218 25810 311 1 1 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.550 -0.040 25810 312 1 1 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.468 -1.903 25810 313 1 1 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.483 -0.466 25810 314 1 1 . 1 1 65 65 ASP H H 65 7.866 7.866 7.783 0.083 25810 315 1 1 . 1 1 66 66 GLU N N 66 128.324 128.324 123.861 4.463 25810 316 1 1 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.087 0.107 25810 317 1 1 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.825 -0.373 25810 318 1 1 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.175 0.938 25810 319 1 1 . 1 1 66 66 GLU H H 66 8.187 8.187 8.743 -0.556 25810 320 1 1 . 1 1 67 67 ASP N N 67 114.662 114.662 116.095 -1.433 25810 321 1 1 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.637 0.053 25810 322 1 1 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.401 -0.642 25810 323 1 1 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.727 -0.373 25810 324 1 1 . 1 1 67 67 ASP H H 67 8.111 8.111 8.137 -0.026 25810 325 1 1 . 1 1 68 68 GLY N N 68 109.084 109.084 108.301 0.783 25810 326 1 1 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.747 1.389 25810 327 1 1 . 1 1 68 68 GLY H H 68 7.771 7.771 7.960 -0.189 25810 328 1 1 . 1 1 69 69 SER N N 69 117.283 117.283 115.275 2.008 25810 329 1 1 . 1 1 69 69 SER HA H 69 4.217 4.217 4.239 -0.022 25810 330 1 1 . 1 1 69 69 SER CA C 69 60.270 60.270 60.053 0.217 25810 331 1 1 . 1 1 69 69 SER CB C 69 64.648 64.648 63.780 0.868 25810 332 1 1 . 1 1 69 69 SER H H 69 8.632 8.632 8.506 0.126 25810 333 1 1 . 1 1 70 70 GLY N N 70 116.242 116.242 110.262 5.980 25810 334 1 1 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.286 0.202 25810 335 1 1 . 1 1 70 70 GLY H H 70 10.710 10.710 7.931 2.779 25810 336 1 1 . 1 1 71 71 THR N N 71 106.843 106.843 116.381 -9.538 25810 337 1 1 . 1 1 71 71 THR HA H 71 4.941 4.941 4.683 0.258 25810 338 1 1 . 1 1 71 71 THR CA C 71 58.422 58.422 61.768 -3.346 25810 339 1 1 . 1 1 71 71 THR CB C 71 73.822 73.822 72.116 1.706 25810 340 1 1 . 1 1 71 71 THR H H 71 7.551 7.551 7.637 -0.086 25810 341 1 1 . 1 1 72 72 VAL N N 72 127.231 127.231 127.285 -0.054 25810 342 1 1 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.694 0.380 25810 343 1 1 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.945 -0.148 25810 344 1 1 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.544 1.381 25810 345 1 1 . 1 1 72 72 VAL H H 72 9.690 9.690 8.798 0.892 25810 346 1 1 . 1 1 73 73 ASP N N 73 129.232 129.232 125.858 3.374 25810 347 1 1 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.930 0.162 25810 348 1 1 . 1 1 73 73 ASP CA C 73 52.381 52.381 52.669 -0.288 25810 349 1 1 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.347 -0.307 25810 350 1 1 . 1 1 73 73 ASP H H 73 8.828 8.828 8.386 0.442 25810 351 1 1 . 1 1 74 74 PHE N N 74 118.313 118.313 119.380 -1.067 25810 352 1 1 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.128 -0.847 25810 353 1 1 . 1 1 74 74 PHE CA C 74 61.369 61.369 61.933 -0.564 25810 354 1 1 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.398 -0.808 25810 355 1 1 . 1 1 74 74 PHE H H 74 8.496 8.496 9.012 -0.516 25810 356 1 1 . 1 1 75 75 ASP N N 75 117.592 117.592 119.744 -2.152 25810 357 1 1 . 1 1 75 75 ASP HA H 75 3.924 3.924 3.869 0.055 25810 358 1 1 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.681 0.176 25810 359 1 1 . 1 1 75 75 ASP CB C 75 39.984 39.984 40.570 -0.586 25810 360 1 1 . 1 1 75 75 ASP H H 75 7.708 7.708 8.631 -0.923 25810 361 1 1 . 1 1 76 76 GLU N N 76 120.100 120.100 119.717 0.383 25810 362 1 1 . 1 1 76 76 GLU HA H 76 3.919 3.919 3.971 -0.052 25810 363 1 1 . 1 1 76 76 GLU CA C 76 58.410 58.410 58.974 -0.563 25810 364 1 1 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.748 0.479 25810 365 1 1 . 1 1 76 76 GLU H H 76 8.267 8.267 9.215 -0.948 25810 366 1 1 . 1 1 77 77 PHE N N 77 122.101 122.101 121.507 0.594 25810 367 1 1 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.267 -0.576 25810 368 1 1 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.487 -0.571 25810 369 1 1 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.436 0.634 25810 370 1 1 . 1 1 77 77 PHE H H 77 8.760 8.760 8.777 -0.017 25810 371 1 1 . 1 1 78 78 LEU N N 78 120.110 120.110 120.094 0.016 25810 372 1 1 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.767 -0.540 25810 373 1 1 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.154 -0.039 25810 374 1 1 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.680 -0.070 25810 375 1 1 . 1 1 78 78 LEU H H 78 8.404 8.404 8.200 0.204 25810 376 1 1 . 1 1 79 79 VAL N N 79 116.259 116.259 115.352 0.907 25810 377 1 1 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.421 -0.214 25810 378 1 1 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.212 0.417 25810 379 1 1 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.388 0.049 25810 380 1 1 . 1 1 79 79 VAL H H 79 7.132 7.132 7.488 -0.356 25810 381 1 1 . 1 1 80 80 MET N N 80 118.429 118.429 119.794 -1.365 25810 382 1 1 . 1 1 80 80 MET HA H 80 3.810 3.810 3.952 -0.142 25810 383 1 1 . 1 1 80 80 MET CA C 80 57.828 57.828 58.749 -0.921 25810 384 1 1 . 1 1 80 80 MET CB C 80 31.114 31.114 32.496 -1.382 25810 385 1 1 . 1 1 80 80 MET H H 80 7.191 7.191 7.620 -0.429 25810 386 1 1 . 1 1 81 81 MET H H 81 8.104 8.104 7.506 0.598 25810 387 1 1 . 1 1 86 86 LYS N N 86 118.058 118.058 121.934 -3.876 25810 388 1 1 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.040 0.260 25810 389 1 1 . 1 1 86 86 LYS CA C 86 57.398 57.398 58.948 -1.550 25810 390 1 1 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.585 0.261 25810 391 1 1 . 1 1 86 86 LYS H H 86 7.750 7.750 8.090 -0.340 25810 392 1 1 . 1 1 87 87 ASP N N 87 120.199 120.199 121.353 -1.154 25810 393 1 1 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.344 0.314 25810 394 1 1 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.370 -2.253 25810 395 1 1 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.396 0.980 25810 396 1 1 . 1 1 87 87 ASP H H 87 8.102 8.102 8.456 -0.354 25810 397 1 1 . 1 1 88 88 ASP N N 88 121.497 121.497 117.810 3.687 25810 398 1 1 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.348 0.342 25810 399 1 1 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.834 -2.168 25810 400 1 1 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.407 0.750 25810 401 1 1 . 1 1 88 88 ASP H H 88 8.363 8.363 8.416 -0.053 25810 402 1 1 . 1 1 89 89 SER N N 89 115.602 115.602 113.802 1.800 25810 403 1 1 . 1 1 89 89 SER HA H 89 4.347 4.347 4.129 0.218 25810 404 1 1 . 1 1 89 89 SER CA C 89 59.571 59.571 61.091 -1.520 25810 405 1 1 . 1 1 89 89 SER CB C 89 63.999 63.999 63.476 0.523 25810 406 1 1 . 1 1 89 89 SER H H 89 8.251 8.251 7.567 0.684 25810 407 1 1 . 1 1 90 90 GLU N N 90 121.265 121.265 119.363 1.902 25810 408 1 1 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.016 0.214 25810 409 1 1 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.291 -1.239 25810 410 1 1 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.158 -0.348 25810 411 1 1 . 1 1 90 90 GLU H H 90 8.331 8.331 8.057 0.274 25810 412 1 1 . 1 1 91 91 ASN N N 91 118.544 118.544 117.742 0.802 25810 413 1 1 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.673 -0.018 25810 414 1 1 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.310 0.151 25810 415 1 1 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.815 1.393 25810 416 1 1 . 1 1 91 91 ASN H H 91 8.131 8.131 7.982 0.149 25810 417 1 1 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.258 -0.265 25810 418 1 1 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.879 0.532 25810 419 1 1 . 1 1 95 95 GLN CB C 95 29.282 29.282 28.727 0.555 25810 420 1 1 . 1 1 96 96 GLY N N 96 109.372 109.372 110.071 -0.699 25810 421 1 1 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.774 0.914 25810 422 1 1 . 1 1 96 96 GLY H H 96 8.110 8.110 8.227 -0.117 25810 423 1 1 . 1 1 97 97 ARG N N 97 120.154 120.154 118.710 1.444 25810 424 1 1 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.491 -0.024 25810 425 1 1 . 1 1 97 97 ARG CA C 97 55.566 55.566 54.702 0.864 25810 426 1 1 . 1 1 97 97 ARG CB C 97 31.505 31.505 32.544 -1.039 25810 427 1 1 . 1 1 97 97 ARG H H 97 7.966 7.966 8.322 -0.356 25810 428 1 1 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.175 -0.033 25810 429 1 1 . 1 1 99 99 VAL CA C 99 62.039 62.039 61.766 0.273 25810 430 1 1 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.097 -1.222 25810 431 1 1 . 1 1 100 100 ARG N N 100 125.661 125.661 124.147 1.514 25810 432 1 1 . 1 1 100 100 ARG HA H 100 4.501 4.501 3.981 0.520 25810 433 1 1 . 1 1 100 100 ARG CA C 100 55.557 55.557 58.403 -2.845 25810 434 1 1 . 1 1 100 100 ARG H H 100 8.379 8.379 8.515 -0.136 25810 435 1 1 . 1 1 102 102 SER HA H 102 4.356 4.356 4.669 -0.313 25810 436 1 1 . 1 1 102 102 SER CA C 102 57.361 57.361 57.493 -0.132 25810 437 1 1 . 1 1 102 102 SER CB C 102 65.237 65.237 64.723 0.514 25810 438 1 1 . 1 1 103 103 ALA N N 103 125.468 125.468 127.176 -1.708 25810 439 1 1 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.038 -0.027 25810 440 1 1 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.133 0.852 25810 441 1 1 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.229 0.364 25810 442 1 1 . 1 1 103 103 ALA H H 103 9.148 9.148 8.898 0.250 25810 443 1 1 . 1 1 104 104 ASP N N 104 115.217 115.217 119.756 -4.539 25810 444 1 1 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.488 -0.180 25810 445 1 1 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.652 0.655 25810 446 1 1 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.364 0.614 25810 447 1 1 . 1 1 104 104 ASP H H 104 8.517 8.517 8.621 -0.104 25810 448 1 1 . 1 1 105 105 ALA N N 105 122.884 122.884 122.860 0.024 25810 449 1 1 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.331 -0.251 25810 450 1 1 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.930 0.174 25810 451 1 1 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.548 -0.211 25810 452 1 1 . 1 1 105 105 ALA H H 105 7.953 7.953 8.132 -0.179 25810 453 1 1 . 1 1 106 106 MET N N 106 118.710 118.710 118.804 -0.094 25810 454 1 1 . 1 1 106 106 MET HA H 106 3.987 3.987 4.106 -0.119 25810 455 1 1 . 1 1 106 106 MET CA C 106 59.704 59.704 58.942 0.762 25810 456 1 1 . 1 1 106 106 MET CB C 106 33.450 33.450 32.824 0.626 25810 457 1 1 . 1 1 106 106 MET H H 106 8.186 8.186 7.936 0.250 25810 458 1 1 . 1 1 107 107 MET N N 107 116.864 116.864 119.899 -3.035 25810 459 1 1 . 1 1 107 107 MET HA H 107 4.446 4.446 4.012 0.434 25810 460 1 1 . 1 1 107 107 MET CA C 107 57.649 57.649 59.587 -1.938 25810 461 1 1 . 1 1 107 107 MET CB C 107 31.359 31.359 32.618 -1.259 25810 462 1 1 . 1 1 107 107 MET H H 107 8.483 8.483 8.234 0.249 25810 463 1 1 . 1 1 108 108 GLN N N 108 117.959 117.959 118.358 -0.399 25810 464 1 1 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.943 0.066 25810 465 1 1 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.923 0.063 25810 466 1 1 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.627 -0.107 25810 467 1 1 . 1 1 108 108 GLN H H 108 8.359 8.359 8.326 0.033 25810 468 1 1 . 1 1 109 109 ALA N N 109 121.657 121.657 122.779 -1.122 25810 469 1 1 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.113 0.026 25810 470 1 1 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.858 -0.093 25810 471 1 1 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.356 0.083 25810 472 1 1 . 1 1 109 109 ALA H H 109 7.855 7.855 7.845 0.010 25810 473 1 1 . 1 1 110 110 LEU N N 110 116.183 116.183 117.568 -1.385 25810 474 1 1 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.005 0.120 25810 475 1 1 . 1 1 110 110 LEU CA C 110 57.432 57.432 56.983 0.449 25810 476 1 1 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.047 0.585 25810 477 1 1 . 1 1 110 110 LEU H H 110 7.933 7.933 7.722 0.211 25810 478 1 1 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.867 -0.257 25810 479 1 1 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.507 0.385 25810 480 1 1 . 1 1 112 112 GLY N N 112 109.198 109.198 106.811 2.387 25810 481 1 1 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.154 0.913 25810 482 1 1 . 1 1 112 112 GLY H H 112 7.928 7.928 7.782 0.146 25810 483 1 1 . 1 1 113 113 ALA N N 113 124.374 124.374 124.295 0.079 25810 484 1 1 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.393 -0.130 25810 485 1 1 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.005 1.399 25810 486 1 1 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.430 -0.717 25810 487 1 1 . 1 1 113 113 ALA H H 113 8.211 8.211 8.196 0.015 25810 488 1 1 . 1 1 114 114 ARG N N 114 117.947 117.947 122.124 -4.177 25810 489 1 1 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.173 0.074 25810 490 1 1 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.444 0.124 25810 491 1 1 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.648 -0.259 25810 492 1 1 . 1 1 114 114 ARG H H 114 7.974 7.974 8.432 -0.458 25810 493 1 1 . 1 1 115 115 ALA N N 115 123.079 123.079 128.262 -5.183 25810 494 1 1 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.621 -0.405 25810 495 1 1 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.892 0.890 25810 496 1 1 . 1 1 115 115 ALA CB C 115 18.915 18.915 20.567 -1.652 25810 497 1 1 . 1 1 115 115 ALA H H 115 7.969 7.969 8.481 -0.512 25810 498 1 1 . 1 1 116 116 LYS N N 116 120.562 120.562 122.976 -2.414 25810 499 1 1 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.463 -0.224 25810 500 1 1 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.139 1.282 25810 501 1 1 . 1 1 116 116 LYS CB C 116 33.373 33.373 33.122 0.251 25810 502 1 1 . 1 1 116 116 LYS H H 116 8.310 8.310 8.615 -0.305 25810 503 1 1 . 1 1 117 117 GLU N N 117 121.115 121.115 121.518 -0.403 25810 504 1 1 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.071 0.188 25810 505 1 1 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.123 -0.776 25810 506 1 1 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.117 0.920 25810 507 1 1 . 1 1 117 117 GLU H H 117 8.646 8.646 8.879 -0.233 25810 508 1 1 . 1 1 118 118 SER N N 118 115.616 115.616 114.849 0.767 25810 509 1 1 . 1 1 118 118 SER HA H 118 4.322 4.322 4.262 0.060 25810 510 1 1 . 1 1 118 118 SER CA C 118 59.082 59.082 60.577 -1.495 25810 511 1 1 . 1 1 118 118 SER CB C 118 63.624 63.624 63.127 0.497 25810 512 1 1 . 1 1 118 118 SER H H 118 8.346 8.346 7.962 0.384 25810 513 1 1 . 1 1 119 119 LEU N N 119 122.984 122.984 121.032 1.952 25810 514 1 1 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.173 0.135 25810 515 1 1 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.757 -1.254 25810 516 1 1 . 1 1 119 119 LEU CB C 119 42.261 42.261 43.018 -0.757 25810 517 1 1 . 1 1 119 119 LEU H H 119 7.970 7.970 7.500 0.470 25810 518 1 1 . 1 1 120 120 ASP N N 120 120.516 120.516 118.545 1.971 25810 519 1 1 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.790 -0.180 25810 520 1 1 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.421 0.031 25810 521 1 1 . 1 1 120 120 ASP CB C 120 41.020 41.020 42.042 -1.022 25810 522 1 1 . 1 1 120 120 ASP H H 120 8.149 8.149 7.696 0.453 25810 523 1 1 . 1 1 121 121 LEU N N 121 122.598 122.598 125.098 -2.500 25810 524 1 1 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.498 -0.223 25810 525 1 1 . 1 1 121 121 LEU CA C 121 56.021 56.021 56.751 -0.730 25810 526 1 1 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.686 -0.632 25810 527 1 1 . 1 1 121 121 LEU H H 121 8.111 8.111 8.637 -0.526 25810 528 1 1 . 1 1 122 122 ARG N N 122 119.425 119.425 119.382 0.043 25810 529 1 1 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.164 0.083 25810 530 1 1 . 1 1 122 122 ARG CA C 122 56.615 56.615 57.645 -1.030 25810 531 1 1 . 1 1 122 122 ARG CB C 122 30.436 30.436 29.950 0.486 25810 532 1 1 . 1 1 122 122 ARG H H 122 8.131 8.131 8.315 -0.184 25810 533 1 1 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.071 2.073 25810 534 1 1 . 1 1 123 123 ALA CB C 123 19.123 19.123 20.132 -1.009 25810 535 1 1 . 1 1 124 124 HIS N N 124 117.075 117.075 120.938 -3.863 25810 536 1 1 . 1 1 124 124 HIS CA C 124 56.097 56.097 54.962 1.135 25810 537 1 1 . 1 1 124 124 HIS CB C 124 30.425 30.425 29.994 0.431 25810 538 1 1 . 1 1 124 124 HIS H H 124 8.185 8.185 8.132 0.053 25810 539 1 1 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.672 -0.318 25810 540 1 1 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.015 0.242 25810 541 1 1 . 1 1 125 125 LEU CB C 125 42.301 42.301 43.281 -0.980 25810 542 1 2 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 27.127 3.450 25810 543 1 2 . 1 1 -7 -7 GLY N N -7 108.818 108.818 107.054 1.764 25810 544 1 2 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.169 1.015 25810 545 1 2 . 1 1 -7 -7 GLY H H -7 8.330 8.330 7.514 0.816 25810 546 1 2 . 1 1 0 0 ASP N N 0 115.716 115.716 116.184 -0.468 25810 547 1 2 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.164 0.324 25810 548 1 2 . 1 1 0 0 ASP CA C 0 58.683 58.683 59.032 -0.349 25810 549 1 2 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.186 0.810 25810 550 1 2 . 1 1 0 0 ASP H H 0 8.155 8.155 8.090 0.065 25810 551 1 2 . 1 1 1 1 MET N N 1 121.815 121.815 117.730 4.085 25810 552 1 2 . 1 1 1 1 MET HA H 1 4.450 4.450 4.539 -0.089 25810 553 1 2 . 1 1 1 1 MET CA C 1 55.996 55.996 56.311 -0.315 25810 554 1 2 . 1 1 1 1 MET CB C 1 32.334 32.334 33.190 -0.856 25810 555 1 2 . 1 1 1 1 MET H H 1 8.553 8.553 8.434 0.119 25810 556 1 2 . 1 1 2 2 ASP N N 2 119.828 119.828 122.037 -2.209 25810 557 1 2 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.373 0.108 25810 558 1 2 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.670 -1.547 25810 559 1 2 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.439 0.672 25810 560 1 2 . 1 1 3 3 ASP N N 3 119.912 119.912 119.714 0.198 25810 561 1 2 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.423 0.053 25810 562 1 2 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.836 -0.616 25810 563 1 2 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.641 0.301 25810 564 1 2 . 1 1 3 3 ASP H H 3 8.098 8.098 8.287 -0.189 25810 565 1 2 . 1 1 4 4 ILE N N 4 120.617 120.617 120.170 0.447 25810 566 1 2 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.632 0.215 25810 567 1 2 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.611 -0.774 25810 568 1 2 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.962 -0.174 25810 569 1 2 . 1 1 4 4 ILE H H 4 7.897 7.897 7.354 0.543 25810 570 1 2 . 1 1 5 5 TYR N N 5 121.116 121.116 120.522 0.594 25810 571 1 2 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.898 0.410 25810 572 1 2 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.045 -1.794 25810 573 1 2 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.309 -0.720 25810 574 1 2 . 1 1 5 5 TYR H H 5 7.961 7.961 7.692 0.269 25810 575 1 2 . 1 1 6 6 LYS N N 6 120.005 120.005 118.210 1.795 25810 576 1 2 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.733 0.190 25810 577 1 2 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.103 0.440 25810 578 1 2 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.014 0.341 25810 579 1 2 . 1 1 6 6 LYS H H 6 8.008 8.008 8.326 -0.318 25810 580 1 2 . 1 1 7 7 ALA N N 7 120.589 120.589 121.702 -1.113 25810 581 1 2 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.072 0.082 25810 582 1 2 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.857 -0.340 25810 583 1 2 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.245 -0.159 25810 584 1 2 . 1 1 7 7 ALA H H 7 7.816 7.816 8.210 -0.394 25810 585 1 2 . 1 1 8 8 ALA N N 8 120.065 120.065 121.906 -1.841 25810 586 1 2 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.872 0.282 25810 587 1 2 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.968 -0.270 25810 588 1 2 . 1 1 8 8 ALA CB C 8 18.483 18.483 17.852 0.631 25810 589 1 2 . 1 1 8 8 ALA H H 8 7.622 7.622 7.743 -0.121 25810 590 1 2 . 1 1 9 9 VAL N N 9 118.101 118.101 117.546 0.555 25810 591 1 2 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.416 0.143 25810 592 1 2 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.668 0.366 25810 593 1 2 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.544 0.138 25810 594 1 2 . 1 1 9 9 VAL H H 9 7.974 7.974 7.307 0.667 25810 595 1 2 . 1 1 10 10 GLU N N 10 118.217 118.217 117.869 0.348 25810 596 1 2 . 1 1 10 10 GLU HA H 10 4.127 4.127 3.964 0.163 25810 597 1 2 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.739 -0.470 25810 598 1 2 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.863 -0.299 25810 599 1 2 . 1 1 10 10 GLU H H 10 7.682 7.682 7.655 0.027 25810 600 1 2 . 1 1 11 11 GLN N N 11 114.903 114.903 116.434 -1.531 25810 601 1 2 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.115 0.208 25810 602 1 2 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.328 -1.675 25810 603 1 2 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.686 -0.239 25810 604 1 2 . 1 1 11 11 GLN H H 11 7.404 7.404 8.072 -0.668 25810 605 1 2 . 1 1 12 12 LEU N N 12 120.467 120.467 120.683 -0.216 25810 606 1 2 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.272 0.310 25810 607 1 2 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.605 0.392 25810 608 1 2 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.414 1.152 25810 609 1 2 . 1 1 12 12 LEU H H 12 7.354 7.354 7.841 -0.487 25810 610 1 2 . 1 1 13 13 THR N N 13 113.431 113.431 110.988 2.443 25810 611 1 2 . 1 1 13 13 THR HA H 13 4.462 4.462 4.539 -0.077 25810 612 1 2 . 1 1 13 13 THR CA C 13 60.759 60.759 59.749 1.010 25810 613 1 2 . 1 1 13 13 THR CB C 13 71.101 71.101 71.004 0.097 25810 614 1 2 . 1 1 13 13 THR H H 13 8.844 8.844 7.763 1.081 25810 615 1 2 . 1 1 14 14 GLU N N 14 121.790 121.790 120.890 0.900 25810 616 1 2 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.925 0.038 25810 617 1 2 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.772 -0.898 25810 618 1 2 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.523 -0.205 25810 619 1 2 . 1 1 14 14 GLU H H 14 9.013 9.013 8.866 0.147 25810 620 1 2 . 1 1 15 15 GLU N N 15 117.495 117.495 119.122 -1.627 25810 621 1 2 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.016 0.044 25810 622 1 2 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.313 1.019 25810 623 1 2 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.383 -0.207 25810 624 1 2 . 1 1 15 15 GLU H H 15 8.653 8.653 8.176 0.477 25810 625 1 2 . 1 1 16 16 GLN N N 16 119.205 119.205 118.336 0.869 25810 626 1 2 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.341 -0.484 25810 627 1 2 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.530 0.418 25810 628 1 2 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.522 1.209 25810 629 1 2 . 1 1 16 16 GLN H H 16 7.839 7.839 7.617 0.222 25810 630 1 2 . 1 1 17 17 LYS N N 17 119.027 119.027 120.136 -1.109 25810 631 1 2 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.993 0.031 25810 632 1 2 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.625 2.063 25810 633 1 2 . 1 1 17 17 LYS CB C 17 32.056 32.056 31.928 0.128 25810 634 1 2 . 1 1 17 17 LYS H H 17 8.539 8.539 8.428 0.111 25810 635 1 2 . 1 1 18 18 ASN N N 18 117.428 117.428 118.368 -0.940 25810 636 1 2 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.511 0.051 25810 637 1 2 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.663 -0.490 25810 638 1 2 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.576 -0.772 25810 639 1 2 . 1 1 18 18 ASN H H 18 8.552 8.552 8.211 0.341 25810 640 1 2 . 1 1 19 19 GLU N N 19 123.611 123.611 120.405 3.206 25810 641 1 2 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.089 0.116 25810 642 1 2 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.398 0.400 25810 643 1 2 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.584 -0.178 25810 644 1 2 . 1 1 19 19 GLU H H 19 8.012 8.012 7.803 0.209 25810 645 1 2 . 1 1 20 20 PHE N N 20 117.357 117.357 119.876 -2.519 25810 646 1 2 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.330 0.524 25810 647 1 2 . 1 1 20 20 PHE CA C 20 60.733 60.733 62.312 -1.579 25810 648 1 2 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.092 -0.770 25810 649 1 2 . 1 1 20 20 PHE H H 20 8.320 8.320 8.462 -0.142 25810 650 1 2 . 1 1 21 21 LYS N N 21 122.064 122.064 119.622 2.442 25810 651 1 2 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.139 -0.114 25810 652 1 2 . 1 1 21 21 LYS CA C 21 58.674 58.674 60.058 -1.384 25810 653 1 2 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.313 -0.629 25810 654 1 2 . 1 1 21 21 LYS H H 21 8.864 8.864 8.483 0.381 25810 655 1 2 . 1 1 22 22 ALA N N 22 121.827 121.827 121.683 0.144 25810 656 1 2 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.102 0.111 25810 657 1 2 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.252 -0.521 25810 658 1 2 . 1 1 22 22 ALA H H 22 8.009 8.009 7.971 0.038 25810 659 1 2 . 1 1 23 23 ALA N N 23 119.945 119.945 121.550 -1.605 25810 660 1 2 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.166 -0.037 25810 661 1 2 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.919 0.420 25810 662 1 2 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.434 0.552 25810 663 1 2 . 1 1 23 23 ALA H H 23 8.178 8.178 8.004 0.174 25810 664 1 2 . 1 1 24 24 PHE N N 24 121.275 121.275 119.420 1.855 25810 665 1 2 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.074 -0.536 25810 666 1 2 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.045 1.368 25810 667 1 2 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.339 0.402 25810 668 1 2 . 1 1 24 24 PHE H H 24 8.925 8.925 8.781 0.144 25810 669 1 2 . 1 1 25 25 ASP N N 25 117.407 117.407 120.197 -2.790 25810 670 1 2 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.222 0.042 25810 671 1 2 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.335 -0.321 25810 672 1 2 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.795 -0.898 25810 673 1 2 . 1 1 25 25 ASP H H 25 8.714 8.714 8.411 0.303 25810 674 1 2 . 1 1 26 26 ILE N N 26 119.320 119.320 118.838 0.482 25810 675 1 2 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.661 0.156 25810 676 1 2 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.495 -1.081 25810 677 1 2 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.997 -0.555 25810 678 1 2 . 1 1 26 26 ILE H H 26 7.337 7.337 7.502 -0.165 25810 679 1 2 . 1 1 27 27 PHE N N 27 123.734 123.734 119.607 4.127 25810 680 1 2 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.550 -0.974 25810 681 1 2 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.286 1.332 25810 682 1 2 . 1 1 27 27 PHE H H 27 8.139 8.139 8.087 0.052 25810 683 1 2 . 1 1 28 28 VAL N N 28 105.007 105.007 111.605 -6.598 25810 684 1 2 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.041 0.042 25810 685 1 2 . 1 1 28 28 VAL CA C 28 61.156 61.156 59.800 1.356 25810 686 1 2 . 1 1 28 28 VAL CB C 28 31.392 31.392 30.262 1.130 25810 687 1 2 . 1 1 28 28 VAL H H 28 7.505 7.505 7.837 -0.332 25810 688 1 2 . 1 1 29 29 LEU N N 29 126.175 126.175 123.934 2.241 25810 689 1 2 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.164 -0.069 25810 690 1 2 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.335 1.161 25810 691 1 2 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.574 0.001 25810 692 1 2 . 1 1 29 29 LEU H H 29 7.274 7.274 7.484 -0.210 25810 693 1 2 . 1 1 30 30 GLY N N 30 113.173 113.173 112.424 0.749 25810 694 1 2 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.953 0.588 25810 695 1 2 . 1 1 30 30 GLY H H 30 8.950 8.950 8.469 0.481 25810 696 1 2 . 1 1 31 31 ALA N N 31 124.109 124.109 124.086 0.023 25810 697 1 2 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.569 -0.112 25810 698 1 2 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.631 1.597 25810 699 1 2 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.103 0.819 25810 700 1 2 . 1 1 31 31 ALA H H 31 8.131 8.131 7.614 0.517 25810 701 1 2 . 1 1 32 32 GLU N N 32 124.956 124.956 123.638 1.318 25810 702 1 2 . 1 1 32 32 GLU HA H 32 4.100 4.100 3.999 0.101 25810 703 1 2 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.580 0.513 25810 704 1 2 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.671 0.215 25810 705 1 2 . 1 1 32 32 GLU H H 32 9.204 9.204 8.780 0.424 25810 706 1 2 . 1 1 33 33 ASP N N 33 115.544 115.544 116.385 -0.841 25810 707 1 2 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.488 0.277 25810 708 1 2 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.709 -1.638 25810 709 1 2 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.630 0.753 25810 710 1 2 . 1 1 33 33 ASP H H 33 8.156 8.156 8.186 -0.030 25810 711 1 2 . 1 1 34 34 GLY N N 34 105.580 105.580 108.211 -2.631 25810 712 1 2 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.686 1.053 25810 713 1 2 . 1 1 34 34 GLY H H 34 7.582 7.582 8.010 -0.428 25810 714 1 2 . 1 1 35 35 SER N N 35 113.292 113.292 114.490 -1.198 25810 715 1 2 . 1 1 35 35 SER HA H 35 4.960 4.960 5.297 -0.337 25810 716 1 2 . 1 1 35 35 SER CA C 35 57.390 57.390 56.675 0.715 25810 717 1 2 . 1 1 35 35 SER CB C 35 66.240 66.240 66.181 0.059 25810 718 1 2 . 1 1 35 35 SER H H 35 7.584 7.584 7.564 0.020 25810 719 1 2 . 1 1 36 36 ILE N N 36 119.513 119.513 124.139 -4.626 25810 720 1 2 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.179 -0.416 25810 721 1 2 . 1 1 36 36 ILE CA C 36 63.288 63.288 59.743 3.545 25810 722 1 2 . 1 1 36 36 ILE CB C 36 39.605 39.605 36.182 3.423 25810 723 1 2 . 1 1 36 36 ILE H H 36 9.028 9.028 8.258 0.770 25810 724 1 2 . 1 1 37 37 SER N N 37 126.146 126.146 120.824 5.322 25810 725 1 2 . 1 1 37 37 SER HA H 37 5.198 5.198 4.883 0.315 25810 726 1 2 . 1 1 37 37 SER CA C 37 57.010 57.010 56.208 0.802 25810 727 1 2 . 1 1 37 37 SER CB C 37 67.563 67.563 65.071 2.492 25810 728 1 2 . 1 1 37 37 SER H H 37 9.571 9.571 8.106 1.465 25810 729 1 2 . 1 1 38 38 THR N N 38 111.059 111.059 112.894 -1.835 25810 730 1 2 . 1 1 38 38 THR HA H 38 4.514 4.514 4.162 0.352 25810 731 1 2 . 1 1 38 38 THR CA C 38 66.653 66.653 65.889 0.764 25810 732 1 2 . 1 1 38 38 THR CB C 38 68.362 68.362 68.712 -0.350 25810 733 1 2 . 1 1 38 38 THR H H 38 8.794 8.794 8.555 0.239 25810 734 1 2 . 1 1 39 39 LYS N N 39 123.369 123.369 121.538 1.831 25810 735 1 2 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.999 0.057 25810 736 1 2 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.716 0.050 25810 737 1 2 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.008 0.195 25810 738 1 2 . 1 1 39 39 LYS H H 39 8.044 8.044 8.197 -0.153 25810 739 1 2 . 1 1 40 40 GLU N N 40 119.970 119.970 119.628 0.342 25810 740 1 2 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.044 0.130 25810 741 1 2 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.350 1.921 25810 742 1 2 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.071 1.121 25810 743 1 2 . 1 1 40 40 GLU H H 40 7.714 7.714 8.217 -0.503 25810 744 1 2 . 1 1 41 41 LEU N N 41 119.088 119.088 120.363 -1.275 25810 745 1 2 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.252 -0.003 25810 746 1 2 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.495 0.376 25810 747 1 2 . 1 1 41 41 LEU CB C 41 42.236 42.236 42.112 0.124 25810 748 1 2 . 1 1 41 41 LEU H H 41 8.375 8.375 8.033 0.342 25810 749 1 2 . 1 1 42 42 GLY N N 42 106.311 106.311 106.778 -0.467 25810 750 1 2 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.080 1.151 25810 751 1 2 . 1 1 42 42 GLY H H 42 8.581 8.581 8.775 -0.194 25810 752 1 2 . 1 1 43 43 LYS N N 43 120.717 120.717 121.902 -1.185 25810 753 1 2 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.986 -0.015 25810 754 1 2 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.434 0.606 25810 755 1 2 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.354 0.039 25810 756 1 2 . 1 1 43 43 LYS H H 43 7.293 7.293 7.659 -0.366 25810 757 1 2 . 1 1 44 44 VAL N N 44 119.884 119.884 119.483 0.401 25810 758 1 2 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.620 0.021 25810 759 1 2 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.404 0.040 25810 760 1 2 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.805 0.251 25810 761 1 2 . 1 1 44 44 VAL H H 44 7.560 7.560 7.438 0.122 25810 762 1 2 . 1 1 45 45 MET N N 45 117.256 117.256 118.035 -0.779 25810 763 1 2 . 1 1 45 45 MET HA H 45 4.179 4.179 4.098 0.081 25810 764 1 2 . 1 1 45 45 MET CA C 45 57.934 57.934 58.140 -0.206 25810 765 1 2 . 1 1 45 45 MET CB C 45 31.407 31.407 31.519 -0.112 25810 766 1 2 . 1 1 45 45 MET H H 45 8.575 8.575 7.557 1.018 25810 767 1 2 . 1 1 46 46 ARG N N 46 118.652 118.652 118.870 -0.218 25810 768 1 2 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.160 0.434 25810 769 1 2 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.026 0.397 25810 770 1 2 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.011 -0.151 25810 771 1 2 . 1 1 46 46 ARG H H 46 8.080 8.080 8.220 -0.140 25810 772 1 2 . 1 1 47 47 MET N N 47 122.632 122.632 119.712 2.920 25810 773 1 2 . 1 1 47 47 MET HA H 47 4.179 4.179 4.139 0.040 25810 774 1 2 . 1 1 47 47 MET CA C 47 59.178 59.178 58.782 0.396 25810 775 1 2 . 1 1 47 47 MET CB C 47 32.669 32.669 32.601 0.068 25810 776 1 2 . 1 1 47 47 MET H H 47 7.864 7.864 7.739 0.125 25810 777 1 2 . 1 1 48 48 LEU N N 48 117.884 117.884 117.380 0.504 25810 778 1 2 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.354 0.008 25810 779 1 2 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.301 -0.763 25810 780 1 2 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.033 -0.215 25810 781 1 2 . 1 1 48 48 LEU H H 48 7.485 7.485 7.776 -0.291 25810 782 1 2 . 1 1 49 49 GLY N N 49 107.912 107.912 106.177 1.735 25810 783 1 2 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.813 1.150 25810 784 1 2 . 1 1 49 49 GLY H H 49 7.884 7.884 7.632 0.252 25810 785 1 2 . 1 1 50 50 GLN N N 50 117.606 117.606 120.453 -2.847 25810 786 1 2 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.475 0.026 25810 787 1 2 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.250 -0.858 25810 788 1 2 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.144 -0.371 25810 789 1 2 . 1 1 50 50 GLN H H 50 8.096 8.096 8.141 -0.045 25810 790 1 2 . 1 1 51 51 ASN N N 51 116.663 116.663 123.578 -6.915 25810 791 1 2 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.026 0.096 25810 792 1 2 . 1 1 51 51 ASN CA C 51 51.230 51.230 49.980 1.250 25810 793 1 2 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.186 -0.040 25810 794 1 2 . 1 1 51 51 ASN H H 51 8.693 8.693 8.612 0.081 25810 795 1 2 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.640 0.049 25810 796 1 2 . 1 1 53 53 THR N N 53 113.865 113.865 112.938 0.927 25810 797 1 2 . 1 1 53 53 THR H H 53 8.985 8.985 8.243 0.742 25810 798 1 2 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.288 -0.102 25810 799 1 2 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.330 0.932 25810 800 1 2 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.874 0.016 25810 801 1 2 . 1 1 55 55 GLU N N 55 117.475 117.475 117.996 -0.521 25810 802 1 2 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.076 -0.032 25810 803 1 2 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.925 0.690 25810 804 1 2 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.178 -0.443 25810 805 1 2 . 1 1 55 55 GLU H H 55 8.785 8.785 8.950 -0.165 25810 806 1 2 . 1 1 56 56 GLU N N 56 121.699 121.699 119.778 1.921 25810 807 1 2 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.346 -0.322 25810 808 1 2 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.760 0.495 25810 809 1 2 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.709 0.387 25810 810 1 2 . 1 1 56 56 GLU H H 56 7.815 7.815 7.636 0.179 25810 811 1 2 . 1 1 57 57 LEU N N 57 118.421 118.421 119.513 -1.092 25810 812 1 2 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.018 -0.005 25810 813 1 2 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.050 -1.488 25810 814 1 2 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.870 0.862 25810 815 1 2 . 1 1 57 57 LEU H H 57 8.246 8.246 7.686 0.560 25810 816 1 2 . 1 1 58 58 GLN N N 58 118.349 118.349 117.373 0.976 25810 817 1 2 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.972 -0.275 25810 818 1 2 . 1 1 58 58 GLN CA C 58 58.337 58.337 58.792 -0.455 25810 819 1 2 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.114 0.454 25810 820 1 2 . 1 1 58 58 GLN H H 58 8.003 8.003 8.148 -0.145 25810 821 1 2 . 1 1 59 59 GLU N N 59 119.049 119.049 120.641 -1.592 25810 822 1 2 . 1 1 59 59 GLU HA H 59 4.097 4.097 3.999 0.098 25810 823 1 2 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.414 0.227 25810 824 1 2 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.535 0.086 25810 825 1 2 . 1 1 59 59 GLU H H 59 7.979 7.979 7.599 0.380 25810 826 1 2 . 1 1 60 60 MET N N 60 117.492 117.492 118.902 -1.410 25810 827 1 2 . 1 1 60 60 MET HA H 60 4.083 4.083 4.114 -0.031 25810 828 1 2 . 1 1 60 60 MET CA C 60 59.764 59.764 59.573 0.191 25810 829 1 2 . 1 1 60 60 MET CB C 60 34.533 34.533 32.632 1.901 25810 830 1 2 . 1 1 60 60 MET H H 60 7.776 7.776 7.997 -0.221 25810 831 1 2 . 1 1 61 61 ILE N N 61 118.035 118.035 120.225 -2.190 25810 832 1 2 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.690 0.027 25810 833 1 2 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.127 -1.014 25810 834 1 2 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.312 -0.022 25810 835 1 2 . 1 1 61 61 ILE H H 61 7.564 7.564 7.708 -0.144 25810 836 1 2 . 1 1 62 62 ASP N N 62 119.355 119.355 120.738 -1.383 25810 837 1 2 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.278 0.069 25810 838 1 2 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.375 0.301 25810 839 1 2 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.496 -0.144 25810 840 1 2 . 1 1 62 62 ASP H H 62 8.801 8.801 8.172 0.629 25810 841 1 2 . 1 1 63 63 GLU N N 63 116.439 116.439 118.971 -2.532 25810 842 1 2 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.127 -0.064 25810 843 1 2 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.711 0.110 25810 844 1 2 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.756 0.368 25810 845 1 2 . 1 1 63 63 GLU H H 63 7.702 7.702 7.862 -0.160 25810 846 1 2 . 1 1 64 64 VAL N N 64 112.796 112.796 117.848 -5.052 25810 847 1 2 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.878 0.316 25810 848 1 2 . 1 1 64 64 VAL CA C 64 61.611 61.611 64.861 -3.250 25810 849 1 2 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.872 0.792 25810 850 1 2 . 1 1 64 64 VAL H H 64 7.151 7.151 8.016 -0.865 25810 851 1 2 . 1 1 65 65 ASP N N 65 121.138 121.138 119.032 2.106 25810 852 1 2 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.276 0.234 25810 853 1 2 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.948 -2.383 25810 854 1 2 . 1 1 65 65 ASP CB C 65 41.017 41.017 42.012 -0.995 25810 855 1 2 . 1 1 65 65 ASP H H 65 7.866 7.866 8.052 -0.186 25810 856 1 2 . 1 1 66 66 GLU N N 66 128.324 128.324 124.301 4.023 25810 857 1 2 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.206 -0.012 25810 858 1 2 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.432 0.020 25810 859 1 2 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.353 0.760 25810 860 1 2 . 1 1 66 66 GLU H H 66 8.187 8.187 8.931 -0.744 25810 861 1 2 . 1 1 67 67 ASP N N 67 114.662 114.662 115.573 -0.911 25810 862 1 2 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.799 -0.109 25810 863 1 2 . 1 1 67 67 ASP CA C 67 52.760 52.760 52.629 0.131 25810 864 1 2 . 1 1 67 67 ASP CB C 67 40.354 40.354 41.072 -0.718 25810 865 1 2 . 1 1 67 67 ASP H H 67 8.111 8.111 8.039 0.072 25810 866 1 2 . 1 1 68 68 GLY N N 68 109.084 109.084 108.373 0.711 25810 867 1 2 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.025 1.111 25810 868 1 2 . 1 1 68 68 GLY H H 68 7.771 7.771 8.044 -0.273 25810 869 1 2 . 1 1 69 69 SER N N 69 117.283 117.283 116.790 0.493 25810 870 1 2 . 1 1 69 69 SER HA H 69 4.217 4.217 4.150 0.067 25810 871 1 2 . 1 1 69 69 SER CA C 69 60.270 60.270 59.375 0.895 25810 872 1 2 . 1 1 69 69 SER CB C 69 64.648 64.648 63.927 0.721 25810 873 1 2 . 1 1 69 69 SER H H 69 8.632 8.632 8.750 -0.118 25810 874 1 2 . 1 1 70 70 GLY N N 70 116.242 116.242 110.037 6.205 25810 875 1 2 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.076 0.412 25810 876 1 2 . 1 1 70 70 GLY H H 70 10.710 10.710 9.239 1.471 25810 877 1 2 . 1 1 71 71 THR N N 71 106.843 106.843 116.085 -9.242 25810 878 1 2 . 1 1 71 71 THR HA H 71 4.941 4.941 4.556 0.385 25810 879 1 2 . 1 1 71 71 THR CA C 71 58.422 58.422 61.502 -3.080 25810 880 1 2 . 1 1 71 71 THR CB C 71 73.822 73.822 72.217 1.605 25810 881 1 2 . 1 1 71 71 THR H H 71 7.551 7.551 7.532 0.019 25810 882 1 2 . 1 1 72 72 VAL N N 72 127.231 127.231 125.495 1.736 25810 883 1 2 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.865 0.209 25810 884 1 2 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.366 0.431 25810 885 1 2 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.579 1.346 25810 886 1 2 . 1 1 72 72 VAL H H 72 9.690 9.690 8.574 1.116 25810 887 1 2 . 1 1 73 73 ASP N N 73 129.232 129.232 127.096 2.136 25810 888 1 2 . 1 1 73 73 ASP HA H 73 5.092 5.092 5.094 -0.002 25810 889 1 2 . 1 1 73 73 ASP CA C 73 52.381 52.381 52.294 0.087 25810 890 1 2 . 1 1 73 73 ASP CB C 73 42.040 42.040 43.650 -1.610 25810 891 1 2 . 1 1 73 73 ASP H H 73 8.828 8.828 8.090 0.738 25810 892 1 2 . 1 1 74 74 PHE N N 74 118.313 118.313 120.553 -2.240 25810 893 1 2 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.794 -0.513 25810 894 1 2 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.097 -0.728 25810 895 1 2 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.498 -0.908 25810 896 1 2 . 1 1 74 74 PHE H H 74 8.496 8.496 8.982 -0.486 25810 897 1 2 . 1 1 75 75 ASP N N 75 117.592 117.592 119.259 -1.667 25810 898 1 2 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.195 -0.271 25810 899 1 2 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.641 0.216 25810 900 1 2 . 1 1 75 75 ASP CB C 75 39.984 39.984 40.227 -0.243 25810 901 1 2 . 1 1 75 75 ASP H H 75 7.708 7.708 8.602 -0.894 25810 902 1 2 . 1 1 76 76 GLU N N 76 120.100 120.100 119.305 0.795 25810 903 1 2 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.019 -0.100 25810 904 1 2 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.123 -0.713 25810 905 1 2 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.409 0.818 25810 906 1 2 . 1 1 76 76 GLU H H 76 8.267 8.267 8.426 -0.159 25810 907 1 2 . 1 1 77 77 PHE N N 77 122.101 122.101 121.988 0.113 25810 908 1 2 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.179 -0.488 25810 909 1 2 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.159 -0.243 25810 910 1 2 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.154 0.916 25810 911 1 2 . 1 1 77 77 PHE H H 77 8.760 8.760 8.642 0.118 25810 912 1 2 . 1 1 78 78 LEU N N 78 120.110 120.110 119.970 0.140 25810 913 1 2 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.653 -0.426 25810 914 1 2 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.473 -0.358 25810 915 1 2 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.610 0.000 25810 916 1 2 . 1 1 78 78 LEU H H 78 8.404 8.404 7.992 0.412 25810 917 1 2 . 1 1 79 79 VAL N N 79 116.259 116.259 119.330 -3.071 25810 918 1 2 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.356 -0.149 25810 919 1 2 . 1 1 79 79 VAL CA C 79 66.629 66.629 67.276 -0.647 25810 920 1 2 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.815 -0.378 25810 921 1 2 . 1 1 79 79 VAL H H 79 7.132 7.132 7.529 -0.397 25810 922 1 2 . 1 1 80 80 MET N N 80 118.429 118.429 117.523 0.906 25810 923 1 2 . 1 1 80 80 MET HA H 80 3.810 3.810 4.004 -0.194 25810 924 1 2 . 1 1 80 80 MET CA C 80 57.828 57.828 59.024 -1.196 25810 925 1 2 . 1 1 80 80 MET CB C 80 31.114 31.114 32.521 -1.407 25810 926 1 2 . 1 1 80 80 MET H H 80 7.191 7.191 8.095 -0.904 25810 927 1 2 . 1 1 81 81 MET H H 81 8.104 8.104 7.828 0.276 25810 928 1 2 . 1 1 86 86 LYS N N 86 118.058 118.058 122.259 -4.201 25810 929 1 2 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.963 0.337 25810 930 1 2 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.375 -1.977 25810 931 1 2 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.660 0.186 25810 932 1 2 . 1 1 86 86 LYS H H 86 7.750 7.750 8.521 -0.771 25810 933 1 2 . 1 1 87 87 ASP N N 87 120.199 120.199 118.511 1.688 25810 934 1 2 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.362 0.296 25810 935 1 2 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.285 -2.168 25810 936 1 2 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.457 0.919 25810 937 1 2 . 1 1 87 87 ASP H H 87 8.102 8.102 8.033 0.069 25810 938 1 2 . 1 1 88 88 ASP N N 88 121.497 121.497 118.408 3.089 25810 939 1 2 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.409 0.281 25810 940 1 2 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.785 -2.119 25810 941 1 2 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.559 0.598 25810 942 1 2 . 1 1 88 88 ASP H H 88 8.363 8.363 8.604 -0.241 25810 943 1 2 . 1 1 89 89 SER N N 89 115.602 115.602 114.904 0.698 25810 944 1 2 . 1 1 89 89 SER HA H 89 4.347 4.347 4.284 0.063 25810 945 1 2 . 1 1 89 89 SER CA C 89 59.571 59.571 61.144 -1.573 25810 946 1 2 . 1 1 89 89 SER CB C 89 63.999 63.999 63.414 0.585 25810 947 1 2 . 1 1 89 89 SER H H 89 8.251 8.251 7.926 0.325 25810 948 1 2 . 1 1 90 90 GLU N N 90 121.265 121.265 121.068 0.197 25810 949 1 2 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.127 0.103 25810 950 1 2 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.830 -0.778 25810 951 1 2 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.135 -0.325 25810 952 1 2 . 1 1 90 90 GLU H H 90 8.331 8.331 7.625 0.706 25810 953 1 2 . 1 1 91 91 ASN N N 91 118.544 118.544 115.989 2.555 25810 954 1 2 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.298 0.357 25810 955 1 2 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.931 -0.470 25810 956 1 2 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.856 1.352 25810 957 1 2 . 1 1 91 91 ASN H H 91 8.131 8.131 7.945 0.186 25810 958 1 2 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.642 -0.649 25810 959 1 2 . 1 1 95 95 GLN CA C 95 56.411 56.411 54.090 2.321 25810 960 1 2 . 1 1 95 95 GLN CB C 95 29.282 29.282 31.812 -2.530 25810 961 1 2 . 1 1 96 96 GLY N N 96 109.372 109.372 111.210 -1.838 25810 962 1 2 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.175 1.514 25810 963 1 2 . 1 1 96 96 GLY H H 96 8.110 8.110 8.556 -0.446 25810 964 1 2 . 1 1 97 97 ARG N N 97 120.154 120.154 120.015 0.139 25810 965 1 2 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.145 0.322 25810 966 1 2 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.480 -0.914 25810 967 1 2 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.307 1.198 25810 968 1 2 . 1 1 97 97 ARG H H 97 7.966 7.966 7.873 0.093 25810 969 1 2 . 1 1 99 99 VAL HA H 99 4.142 4.142 3.876 0.266 25810 970 1 2 . 1 1 99 99 VAL CA C 99 62.039 62.039 64.063 -2.024 25810 971 1 2 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.166 -1.292 25810 972 1 2 . 1 1 100 100 ARG N N 100 125.661 125.661 122.232 3.429 25810 973 1 2 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.444 0.057 25810 974 1 2 . 1 1 100 100 ARG CA C 100 55.557 55.557 55.551 0.006 25810 975 1 2 . 1 1 100 100 ARG H H 100 8.379 8.379 8.342 0.037 25810 976 1 2 . 1 1 102 102 SER HA H 102 4.356 4.356 4.661 -0.305 25810 977 1 2 . 1 1 102 102 SER CA C 102 57.361 57.361 58.202 -0.841 25810 978 1 2 . 1 1 102 102 SER CB C 102 65.237 65.237 64.274 0.963 25810 979 1 2 . 1 1 103 103 ALA N N 103 125.468 125.468 126.638 -1.170 25810 980 1 2 . 1 1 103 103 ALA HA H 103 4.011 4.011 3.988 0.023 25810 981 1 2 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.197 0.788 25810 982 1 2 . 1 1 103 103 ALA CB C 103 18.593 18.593 19.003 -0.410 25810 983 1 2 . 1 1 103 103 ALA H H 103 9.148 9.148 8.856 0.292 25810 984 1 2 . 1 1 104 104 ASP N N 104 115.217 115.217 119.632 -4.415 25810 985 1 2 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.299 0.009 25810 986 1 2 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.602 -0.295 25810 987 1 2 . 1 1 104 104 ASP CB C 104 40.978 40.978 39.925 1.053 25810 988 1 2 . 1 1 104 104 ASP H H 104 8.517 8.517 8.468 0.049 25810 989 1 2 . 1 1 105 105 ALA N N 105 122.884 122.884 121.877 1.007 25810 990 1 2 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.197 -0.117 25810 991 1 2 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.954 0.150 25810 992 1 2 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.387 -0.050 25810 993 1 2 . 1 1 105 105 ALA H H 105 7.953 7.953 8.131 -0.178 25810 994 1 2 . 1 1 106 106 MET N N 106 118.710 118.710 119.145 -0.435 25810 995 1 2 . 1 1 106 106 MET HA H 106 3.987 3.987 4.190 -0.203 25810 996 1 2 . 1 1 106 106 MET CA C 106 59.704 59.704 57.616 2.088 25810 997 1 2 . 1 1 106 106 MET CB C 106 33.450 33.450 32.535 0.915 25810 998 1 2 . 1 1 106 106 MET H H 106 8.186 8.186 7.778 0.408 25810 999 1 2 . 1 1 107 107 MET N N 107 116.864 116.864 119.514 -2.650 25810 1000 1 2 . 1 1 107 107 MET HA H 107 4.446 4.446 3.939 0.507 25810 1001 1 2 . 1 1 107 107 MET CA C 107 57.649 57.649 59.704 -2.055 25810 1002 1 2 . 1 1 107 107 MET CB C 107 31.359 31.359 32.298 -0.939 25810 1003 1 2 . 1 1 107 107 MET H H 107 8.483 8.483 8.751 -0.268 25810 1004 1 2 . 1 1 108 108 GLN N N 108 117.959 117.959 119.205 -1.246 25810 1005 1 2 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.959 0.050 25810 1006 1 2 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.317 -0.331 25810 1007 1 2 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.721 -0.201 25810 1008 1 2 . 1 1 108 108 GLN H H 108 8.359 8.359 8.097 0.262 25810 1009 1 2 . 1 1 109 109 ALA N N 109 121.657 121.657 122.831 -1.174 25810 1010 1 2 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.169 -0.030 25810 1011 1 2 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.545 0.220 25810 1012 1 2 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.500 -0.061 25810 1013 1 2 . 1 1 109 109 ALA H H 109 7.855 7.855 7.815 0.040 25810 1014 1 2 . 1 1 110 110 LEU N N 110 116.183 116.183 118.265 -2.082 25810 1015 1 2 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.075 0.050 25810 1016 1 2 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.496 -0.064 25810 1017 1 2 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.233 0.399 25810 1018 1 2 . 1 1 110 110 LEU H H 110 7.933 7.933 7.900 0.033 25810 1019 1 2 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.600 -0.990 25810 1020 1 2 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.442 0.450 25810 1021 1 2 . 1 1 112 112 GLY N N 112 109.198 109.198 102.663 6.535 25810 1022 1 2 . 1 1 112 112 GLY CA C 112 46.067 46.067 43.997 2.070 25810 1023 1 2 . 1 1 112 112 GLY H H 112 7.928 7.928 8.045 -0.117 25810 1024 1 2 . 1 1 113 113 ALA N N 113 124.374 124.374 120.305 4.069 25810 1025 1 2 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.010 0.253 25810 1026 1 2 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.720 0.684 25810 1027 1 2 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.544 -0.831 25810 1028 1 2 . 1 1 113 113 ALA H H 113 8.211 8.211 8.121 0.090 25810 1029 1 2 . 1 1 114 114 ARG N N 114 117.947 117.947 117.549 0.398 25810 1030 1 2 . 1 1 114 114 ARG HA H 114 4.247 4.247 3.958 0.289 25810 1031 1 2 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.938 -0.370 25810 1032 1 2 . 1 1 114 114 ARG CB C 114 30.389 30.389 29.067 1.322 25810 1033 1 2 . 1 1 114 114 ARG H H 114 7.974 7.974 8.713 -0.739 25810 1034 1 2 . 1 1 115 115 ALA N N 115 123.079 123.079 120.410 2.669 25810 1035 1 2 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.267 -0.051 25810 1036 1 2 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.027 0.756 25810 1037 1 2 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.577 -0.662 25810 1038 1 2 . 1 1 115 115 ALA H H 115 7.969 7.969 7.500 0.469 25810 1039 1 2 . 1 1 116 116 LYS N N 116 120.562 120.562 123.063 -2.501 25810 1040 1 2 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.267 -0.028 25810 1041 1 2 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.484 0.937 25810 1042 1 2 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.658 0.715 25810 1043 1 2 . 1 1 116 116 LYS H H 116 8.310 8.310 8.370 -0.060 25810 1044 1 2 . 1 1 117 117 GLU N N 117 121.115 121.115 125.214 -4.099 25810 1045 1 2 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.180 0.079 25810 1046 1 2 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.442 -1.095 25810 1047 1 2 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.519 0.518 25810 1048 1 2 . 1 1 117 117 GLU H H 117 8.646 8.646 8.953 -0.307 25810 1049 1 2 . 1 1 118 118 SER N N 118 115.616 115.616 115.038 0.578 25810 1050 1 2 . 1 1 118 118 SER HA H 118 4.322 4.322 4.317 0.005 25810 1051 1 2 . 1 1 118 118 SER CA C 118 59.082 59.082 59.689 -0.607 25810 1052 1 2 . 1 1 118 118 SER CB C 118 63.624 63.624 63.410 0.214 25810 1053 1 2 . 1 1 118 118 SER H H 118 8.346 8.346 8.087 0.259 25810 1054 1 2 . 1 1 119 119 LEU N N 119 122.984 122.984 120.160 2.824 25810 1055 1 2 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.513 -0.205 25810 1056 1 2 . 1 1 119 119 LEU CA C 119 55.503 55.503 55.023 0.480 25810 1057 1 2 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.297 -0.036 25810 1058 1 2 . 1 1 119 119 LEU H H 119 7.970 7.970 7.543 0.427 25810 1059 1 2 . 1 1 120 120 ASP N N 120 120.516 120.516 117.458 3.058 25810 1060 1 2 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.285 0.325 25810 1061 1 2 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.246 -0.794 25810 1062 1 2 . 1 1 120 120 ASP CB C 120 41.020 41.020 40.645 0.375 25810 1063 1 2 . 1 1 120 120 ASP H H 120 8.149 8.149 7.980 0.169 25810 1064 1 2 . 1 1 121 121 LEU N N 121 122.598 122.598 120.655 1.943 25810 1065 1 2 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.247 0.028 25810 1066 1 2 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.620 1.401 25810 1067 1 2 . 1 1 121 121 LEU CB C 121 42.054 42.054 40.847 1.207 25810 1068 1 2 . 1 1 121 121 LEU H H 121 8.111 8.111 8.297 -0.186 25810 1069 1 2 . 1 1 122 122 ARG N N 122 119.425 119.425 119.202 0.223 25810 1070 1 2 . 1 1 122 122 ARG HA H 122 4.247 4.247 3.902 0.345 25810 1071 1 2 . 1 1 122 122 ARG CA C 122 56.615 56.615 56.394 0.221 25810 1072 1 2 . 1 1 122 122 ARG CB C 122 30.436 30.436 27.534 2.902 25810 1073 1 2 . 1 1 122 122 ARG H H 122 8.131 8.131 8.059 0.072 25810 1074 1 2 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.690 0.454 25810 1075 1 2 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.841 -0.718 25810 1076 1 2 . 1 1 124 124 HIS N N 124 117.075 117.075 118.402 -1.327 25810 1077 1 2 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.941 0.156 25810 1078 1 2 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.053 0.372 25810 1079 1 2 . 1 1 124 124 HIS H H 124 8.185 8.185 8.563 -0.378 25810 1080 1 2 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.306 0.048 25810 1081 1 2 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.173 0.084 25810 1082 1 2 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.334 -0.033 25810 1083 1 3 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 28.345 2.232 25810 1084 1 3 . 1 1 -7 -7 GLY N N -7 108.818 108.818 107.722 1.096 25810 1085 1 3 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.494 0.690 25810 1086 1 3 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.479 -0.149 25810 1087 1 3 . 1 1 0 0 ASP N N 0 115.716 115.716 115.906 -0.190 25810 1088 1 3 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.522 -0.034 25810 1089 1 3 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.118 0.565 25810 1090 1 3 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.875 0.121 25810 1091 1 3 . 1 1 0 0 ASP H H 0 8.155 8.155 8.470 -0.315 25810 1092 1 3 . 1 1 1 1 MET N N 1 121.815 121.815 122.194 -0.379 25810 1093 1 3 . 1 1 1 1 MET HA H 1 4.450 4.450 4.405 0.045 25810 1094 1 3 . 1 1 1 1 MET CA C 1 55.996 55.996 57.209 -1.214 25810 1095 1 3 . 1 1 1 1 MET CB C 1 32.334 32.334 31.492 0.842 25810 1096 1 3 . 1 1 1 1 MET H H 1 8.553 8.553 8.474 0.079 25810 1097 1 3 . 1 1 2 2 ASP N N 2 119.828 119.828 120.065 -0.237 25810 1098 1 3 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.439 0.042 25810 1099 1 3 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.007 -0.884 25810 1100 1 3 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.700 1.411 25810 1101 1 3 . 1 1 3 3 ASP N N 3 119.912 119.912 120.489 -0.577 25810 1102 1 3 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.434 0.042 25810 1103 1 3 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.734 -0.514 25810 1104 1 3 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.451 0.491 25810 1105 1 3 . 1 1 3 3 ASP H H 3 8.098 8.098 7.895 0.203 25810 1106 1 3 . 1 1 4 4 ILE N N 4 120.617 120.617 120.785 -0.168 25810 1107 1 3 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.646 0.201 25810 1108 1 3 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.189 -0.352 25810 1109 1 3 . 1 1 4 4 ILE CB C 4 37.788 37.788 38.126 -0.338 25810 1110 1 3 . 1 1 4 4 ILE H H 4 7.897 7.897 7.620 0.277 25810 1111 1 3 . 1 1 5 5 TYR N N 5 121.116 121.116 119.747 1.369 25810 1112 1 3 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.932 0.376 25810 1113 1 3 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.285 -2.034 25810 1114 1 3 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.182 -0.593 25810 1115 1 3 . 1 1 5 5 TYR H H 5 7.961 7.961 7.875 0.086 25810 1116 1 3 . 1 1 6 6 LYS N N 6 120.005 120.005 119.690 0.315 25810 1117 1 3 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.819 0.104 25810 1118 1 3 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.513 0.031 25810 1119 1 3 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.201 0.154 25810 1120 1 3 . 1 1 6 6 LYS H H 6 8.008 8.008 8.070 -0.062 25810 1121 1 3 . 1 1 7 7 ALA N N 7 120.589 120.589 121.157 -0.568 25810 1122 1 3 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.064 0.090 25810 1123 1 3 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.836 -0.319 25810 1124 1 3 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.021 0.065 25810 1125 1 3 . 1 1 7 7 ALA H H 7 7.816 7.816 7.813 0.003 25810 1126 1 3 . 1 1 8 8 ALA N N 8 120.065 120.065 121.558 -1.493 25810 1127 1 3 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.939 0.215 25810 1128 1 3 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.952 -0.254 25810 1129 1 3 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.549 -0.066 25810 1130 1 3 . 1 1 8 8 ALA H H 8 7.622 7.622 8.020 -0.398 25810 1131 1 3 . 1 1 9 9 VAL N N 9 118.101 118.101 114.099 4.002 25810 1132 1 3 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.934 -0.375 25810 1133 1 3 . 1 1 9 9 VAL CA C 9 66.034 66.034 64.824 1.210 25810 1134 1 3 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.314 0.367 25810 1135 1 3 . 1 1 9 9 VAL H H 9 7.974 7.974 7.440 0.534 25810 1136 1 3 . 1 1 10 10 GLU N N 10 118.217 118.217 119.878 -1.661 25810 1137 1 3 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.034 0.093 25810 1138 1 3 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.753 -0.484 25810 1139 1 3 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.555 0.008 25810 1140 1 3 . 1 1 10 10 GLU H H 10 7.682 7.682 8.016 -0.334 25810 1141 1 3 . 1 1 11 11 GLN N N 11 114.903 114.903 115.863 -0.960 25810 1142 1 3 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.247 0.076 25810 1143 1 3 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.955 -1.303 25810 1144 1 3 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.071 -0.624 25810 1145 1 3 . 1 1 11 11 GLN H H 11 7.404 7.404 7.748 -0.344 25810 1146 1 3 . 1 1 12 12 LEU N N 12 120.467 120.467 120.112 0.355 25810 1147 1 3 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.606 -0.024 25810 1148 1 3 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.181 1.816 25810 1149 1 3 . 1 1 12 12 LEU CB C 12 43.566 43.566 43.620 -0.054 25810 1150 1 3 . 1 1 12 12 LEU H H 12 7.354 7.354 7.740 -0.386 25810 1151 1 3 . 1 1 13 13 THR N N 13 113.431 113.431 113.699 -0.268 25810 1152 1 3 . 1 1 13 13 THR HA H 13 4.462 4.462 4.268 0.194 25810 1153 1 3 . 1 1 13 13 THR CA C 13 60.759 60.759 61.890 -1.131 25810 1154 1 3 . 1 1 13 13 THR CB C 13 71.101 71.101 70.120 0.981 25810 1155 1 3 . 1 1 13 13 THR H H 13 8.844 8.844 8.467 0.377 25810 1156 1 3 . 1 1 14 14 GLU N N 14 121.790 121.790 123.144 -1.354 25810 1157 1 3 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.964 -0.001 25810 1158 1 3 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.293 -0.419 25810 1159 1 3 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.719 -0.401 25810 1160 1 3 . 1 1 14 14 GLU H H 14 9.013 9.013 8.825 0.188 25810 1161 1 3 . 1 1 15 15 GLU N N 15 117.495 117.495 118.381 -0.886 25810 1162 1 3 . 1 1 15 15 GLU HA H 15 4.060 4.060 3.988 0.072 25810 1163 1 3 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.495 0.837 25810 1164 1 3 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.227 -0.051 25810 1165 1 3 . 1 1 15 15 GLU H H 15 8.653 8.653 8.478 0.175 25810 1166 1 3 . 1 1 16 16 GLN N N 16 119.205 119.205 119.169 0.036 25810 1167 1 3 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.144 -0.287 25810 1168 1 3 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.555 0.393 25810 1169 1 3 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.480 1.251 25810 1170 1 3 . 1 1 16 16 GLN H H 16 7.839 7.839 7.822 0.017 25810 1171 1 3 . 1 1 17 17 LYS N N 17 119.027 119.027 120.137 -1.110 25810 1172 1 3 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.009 0.015 25810 1173 1 3 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.462 2.226 25810 1174 1 3 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.178 -0.122 25810 1175 1 3 . 1 1 17 17 LYS H H 17 8.539 8.539 7.923 0.616 25810 1176 1 3 . 1 1 18 18 ASN N N 18 117.428 117.428 118.201 -0.773 25810 1177 1 3 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.441 0.121 25810 1178 1 3 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.962 -0.788 25810 1179 1 3 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.557 -0.753 25810 1180 1 3 . 1 1 18 18 ASN H H 18 8.552 8.552 8.237 0.315 25810 1181 1 3 . 1 1 19 19 GLU N N 19 123.611 123.611 121.139 2.472 25810 1182 1 3 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.065 0.140 25810 1183 1 3 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.401 0.397 25810 1184 1 3 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.712 -0.306 25810 1185 1 3 . 1 1 19 19 GLU H H 19 8.012 8.012 8.068 -0.056 25810 1186 1 3 . 1 1 20 20 PHE N N 20 117.357 117.357 119.952 -2.595 25810 1187 1 3 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.328 0.526 25810 1188 1 3 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.366 -0.633 25810 1189 1 3 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.353 -1.031 25810 1190 1 3 . 1 1 20 20 PHE H H 20 8.320 8.320 8.340 -0.020 25810 1191 1 3 . 1 1 21 21 LYS N N 21 122.064 122.064 120.600 1.464 25810 1192 1 3 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.105 -0.080 25810 1193 1 3 . 1 1 21 21 LYS CA C 21 58.674 58.674 60.072 -1.398 25810 1194 1 3 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.257 -0.573 25810 1195 1 3 . 1 1 21 21 LYS H H 21 8.864 8.864 8.273 0.591 25810 1196 1 3 . 1 1 22 22 ALA N N 22 121.827 121.827 120.531 1.296 25810 1197 1 3 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.237 -0.024 25810 1198 1 3 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.230 -0.499 25810 1199 1 3 . 1 1 22 22 ALA H H 22 8.009 8.009 7.689 0.320 25810 1200 1 3 . 1 1 23 23 ALA N N 23 119.945 119.945 121.309 -1.364 25810 1201 1 3 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.114 0.015 25810 1202 1 3 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.562 0.777 25810 1203 1 3 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.264 0.722 25810 1204 1 3 . 1 1 23 23 ALA H H 23 8.178 8.178 7.574 0.604 25810 1205 1 3 . 1 1 24 24 PHE N N 24 121.275 121.275 120.074 1.201 25810 1206 1 3 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.047 -0.509 25810 1207 1 3 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.321 1.092 25810 1208 1 3 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.302 0.439 25810 1209 1 3 . 1 1 24 24 PHE H H 24 8.925 8.925 8.862 0.063 25810 1210 1 3 . 1 1 25 25 ASP N N 25 117.407 117.407 120.121 -2.714 25810 1211 1 3 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.516 -0.252 25810 1212 1 3 . 1 1 25 25 ASP CA C 25 57.014 57.014 56.922 0.092 25810 1213 1 3 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.496 -0.599 25810 1214 1 3 . 1 1 25 25 ASP H H 25 8.714 8.714 8.141 0.573 25810 1215 1 3 . 1 1 26 26 ILE N N 26 119.320 119.320 119.088 0.232 25810 1216 1 3 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.680 0.137 25810 1217 1 3 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.178 -0.764 25810 1218 1 3 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.028 -0.586 25810 1219 1 3 . 1 1 26 26 ILE H H 26 7.337 7.337 7.559 -0.222 25810 1220 1 3 . 1 1 27 27 PHE N N 27 123.734 123.734 117.166 6.568 25810 1221 1 3 . 1 1 27 27 PHE CA C 27 60.576 60.576 60.722 -0.146 25810 1222 1 3 . 1 1 27 27 PHE CB C 27 40.618 40.618 37.980 2.638 25810 1223 1 3 . 1 1 27 27 PHE H H 27 8.139 8.139 7.911 0.228 25810 1224 1 3 . 1 1 28 28 VAL N N 28 105.007 105.007 117.504 -12.497 25810 1225 1 3 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.890 0.193 25810 1226 1 3 . 1 1 28 28 VAL CA C 28 61.156 61.156 61.009 0.147 25810 1227 1 3 . 1 1 28 28 VAL CB C 28 31.392 31.392 30.363 1.029 25810 1228 1 3 . 1 1 28 28 VAL H H 28 7.505 7.505 6.969 0.536 25810 1229 1 3 . 1 1 29 29 LEU N N 29 126.175 126.175 125.070 1.105 25810 1230 1 3 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.176 -0.081 25810 1231 1 3 . 1 1 29 29 LEU CA C 29 57.496 57.496 55.597 1.899 25810 1232 1 3 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.403 0.172 25810 1233 1 3 . 1 1 29 29 LEU H H 29 7.274 7.274 7.328 -0.054 25810 1234 1 3 . 1 1 30 30 GLY N N 30 113.173 113.173 113.787 -0.614 25810 1235 1 3 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.249 0.291 25810 1236 1 3 . 1 1 30 30 GLY H H 30 8.950 8.950 8.100 0.850 25810 1237 1 3 . 1 1 31 31 ALA N N 31 124.109 124.109 121.258 2.851 25810 1238 1 3 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.166 0.291 25810 1239 1 3 . 1 1 31 31 ALA CA C 31 52.228 52.228 52.459 -0.231 25810 1240 1 3 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.511 0.411 25810 1241 1 3 . 1 1 31 31 ALA H H 31 8.131 8.131 7.406 0.725 25810 1242 1 3 . 1 1 32 32 GLU N N 32 124.956 124.956 123.472 1.484 25810 1243 1 3 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.114 -0.014 25810 1244 1 3 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.678 0.415 25810 1245 1 3 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.774 0.112 25810 1246 1 3 . 1 1 32 32 GLU H H 32 9.204 9.204 8.776 0.428 25810 1247 1 3 . 1 1 33 33 ASP N N 33 115.544 115.544 116.458 -0.914 25810 1248 1 3 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.791 -0.026 25810 1249 1 3 . 1 1 33 33 ASP CA C 33 53.071 53.071 53.809 -0.738 25810 1250 1 3 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.471 -0.088 25810 1251 1 3 . 1 1 33 33 ASP H H 33 8.156 8.156 8.288 -0.132 25810 1252 1 3 . 1 1 34 34 GLY N N 34 105.580 105.580 108.426 -2.846 25810 1253 1 3 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.468 1.271 25810 1254 1 3 . 1 1 34 34 GLY H H 34 7.582 7.582 8.171 -0.589 25810 1255 1 3 . 1 1 35 35 SER N N 35 113.292 113.292 113.964 -0.672 25810 1256 1 3 . 1 1 35 35 SER HA H 35 4.960 4.960 4.713 0.247 25810 1257 1 3 . 1 1 35 35 SER CA C 35 57.390 57.390 57.151 0.239 25810 1258 1 3 . 1 1 35 35 SER CB C 35 66.240 66.240 66.867 -0.627 25810 1259 1 3 . 1 1 35 35 SER H H 35 7.584 7.584 7.590 -0.006 25810 1260 1 3 . 1 1 36 36 ILE N N 36 119.513 119.513 122.154 -2.641 25810 1261 1 3 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.018 -0.255 25810 1262 1 3 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.522 0.766 25810 1263 1 3 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.977 1.628 25810 1264 1 3 . 1 1 36 36 ILE H H 36 9.028 9.028 8.047 0.981 25810 1265 1 3 . 1 1 37 37 SER N N 37 126.146 126.146 121.996 4.150 25810 1266 1 3 . 1 1 37 37 SER HA H 37 5.198 5.198 4.816 0.382 25810 1267 1 3 . 1 1 37 37 SER CA C 37 57.010 57.010 55.914 1.096 25810 1268 1 3 . 1 1 37 37 SER CB C 37 67.563 67.563 65.436 2.127 25810 1269 1 3 . 1 1 37 37 SER H H 37 9.571 9.571 8.291 1.280 25810 1270 1 3 . 1 1 38 38 THR N N 38 111.059 111.059 117.804 -6.745 25810 1271 1 3 . 1 1 38 38 THR HA H 38 4.514 4.514 4.066 0.448 25810 1272 1 3 . 1 1 38 38 THR CA C 38 66.653 66.653 65.482 1.171 25810 1273 1 3 . 1 1 38 38 THR CB C 38 68.362 68.362 68.702 -0.340 25810 1274 1 3 . 1 1 38 38 THR H H 38 8.794 8.794 8.968 -0.174 25810 1275 1 3 . 1 1 39 39 LYS N N 39 123.369 123.369 119.868 3.501 25810 1276 1 3 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.012 0.044 25810 1277 1 3 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.691 0.075 25810 1278 1 3 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.167 0.036 25810 1279 1 3 . 1 1 39 39 LYS H H 39 8.044 8.044 7.552 0.492 25810 1280 1 3 . 1 1 40 40 GLU N N 40 119.970 119.970 119.070 0.900 25810 1281 1 3 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.068 0.106 25810 1282 1 3 . 1 1 40 40 GLU CA C 40 61.272 61.272 58.619 2.653 25810 1283 1 3 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.387 0.805 25810 1284 1 3 . 1 1 40 40 GLU H H 40 7.714 7.714 7.458 0.256 25810 1285 1 3 . 1 1 41 41 LEU N N 41 119.088 119.088 120.540 -1.452 25810 1286 1 3 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.157 0.092 25810 1287 1 3 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.432 0.439 25810 1288 1 3 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.994 0.242 25810 1289 1 3 . 1 1 41 41 LEU H H 41 8.375 8.375 8.475 -0.100 25810 1290 1 3 . 1 1 42 42 GLY N N 42 106.311 106.311 106.531 -0.220 25810 1291 1 3 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.315 0.916 25810 1292 1 3 . 1 1 42 42 GLY H H 42 8.581 8.581 8.339 0.242 25810 1293 1 3 . 1 1 43 43 LYS N N 43 120.717 120.717 122.289 -1.572 25810 1294 1 3 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.043 -0.072 25810 1295 1 3 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.052 0.988 25810 1296 1 3 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.249 0.144 25810 1297 1 3 . 1 1 43 43 LYS H H 43 7.293 7.293 7.432 -0.139 25810 1298 1 3 . 1 1 44 44 VAL N N 44 119.884 119.884 119.733 0.151 25810 1299 1 3 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.630 0.011 25810 1300 1 3 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.519 -0.075 25810 1301 1 3 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.874 0.182 25810 1302 1 3 . 1 1 44 44 VAL H H 44 7.560 7.560 7.459 0.101 25810 1303 1 3 . 1 1 45 45 MET N N 45 117.256 117.256 117.533 -0.277 25810 1304 1 3 . 1 1 45 45 MET HA H 45 4.179 4.179 4.164 0.015 25810 1305 1 3 . 1 1 45 45 MET CA C 45 57.934 57.934 57.392 0.542 25810 1306 1 3 . 1 1 45 45 MET CB C 45 31.407 31.407 31.238 0.170 25810 1307 1 3 . 1 1 45 45 MET H H 45 8.575 8.575 8.039 0.536 25810 1308 1 3 . 1 1 46 46 ARG N N 46 118.652 118.652 121.161 -2.509 25810 1309 1 3 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.280 0.314 25810 1310 1 3 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.472 -0.049 25810 1311 1 3 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.107 -0.247 25810 1312 1 3 . 1 1 46 46 ARG H H 46 8.080 8.080 8.241 -0.161 25810 1313 1 3 . 1 1 47 47 MET N N 47 122.632 122.632 117.238 5.394 25810 1314 1 3 . 1 1 47 47 MET HA H 47 4.179 4.179 4.256 -0.077 25810 1315 1 3 . 1 1 47 47 MET CA C 47 59.178 59.178 58.133 1.045 25810 1316 1 3 . 1 1 47 47 MET CB C 47 32.669 32.669 32.488 0.181 25810 1317 1 3 . 1 1 47 47 MET H H 47 7.864 7.864 7.626 0.238 25810 1318 1 3 . 1 1 48 48 LEU N N 48 117.884 117.884 119.611 -1.727 25810 1319 1 3 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.117 0.245 25810 1320 1 3 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.581 -1.044 25810 1321 1 3 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.466 -0.648 25810 1322 1 3 . 1 1 48 48 LEU H H 48 7.485 7.485 7.486 -0.001 25810 1323 1 3 . 1 1 49 49 GLY N N 49 107.912 107.912 104.737 3.175 25810 1324 1 3 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.802 1.161 25810 1325 1 3 . 1 1 49 49 GLY H H 49 7.884 7.884 7.562 0.322 25810 1326 1 3 . 1 1 50 50 GLN N N 50 117.606 117.606 120.380 -2.774 25810 1327 1 3 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.598 -0.097 25810 1328 1 3 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.321 -0.929 25810 1329 1 3 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.610 -0.837 25810 1330 1 3 . 1 1 50 50 GLN H H 50 8.096 8.096 8.014 0.082 25810 1331 1 3 . 1 1 51 51 ASN N N 51 116.663 116.663 120.403 -3.740 25810 1332 1 3 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.037 0.085 25810 1333 1 3 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.489 0.741 25810 1334 1 3 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.022 1.124 25810 1335 1 3 . 1 1 51 51 ASN H H 51 8.693 8.693 8.590 0.103 25810 1336 1 3 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.528 0.161 25810 1337 1 3 . 1 1 53 53 THR N N 53 113.865 113.865 112.088 1.777 25810 1338 1 3 . 1 1 53 53 THR H H 53 8.985 8.985 8.135 0.850 25810 1339 1 3 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.369 -0.183 25810 1340 1 3 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.356 0.906 25810 1341 1 3 . 1 1 54 54 PRO CB C 54 31.890 31.890 32.042 -0.152 25810 1342 1 3 . 1 1 55 55 GLU N N 55 117.475 117.475 118.064 -0.589 25810 1343 1 3 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.067 -0.023 25810 1344 1 3 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.990 0.625 25810 1345 1 3 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.160 -0.424 25810 1346 1 3 . 1 1 55 55 GLU H H 55 8.785 8.785 8.962 -0.177 25810 1347 1 3 . 1 1 56 56 GLU N N 56 121.699 121.699 119.534 2.165 25810 1348 1 3 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.107 -0.083 25810 1349 1 3 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.797 0.458 25810 1350 1 3 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.366 0.730 25810 1351 1 3 . 1 1 56 56 GLU H H 56 7.815 7.815 7.677 0.138 25810 1352 1 3 . 1 1 57 57 LEU N N 57 118.421 118.421 120.574 -2.153 25810 1353 1 3 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.045 -0.032 25810 1354 1 3 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.105 -1.543 25810 1355 1 3 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.823 0.909 25810 1356 1 3 . 1 1 57 57 LEU H H 57 8.246 8.246 7.720 0.526 25810 1357 1 3 . 1 1 58 58 GLN N N 58 118.349 118.349 119.039 -0.690 25810 1358 1 3 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.885 -0.188 25810 1359 1 3 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.368 -1.031 25810 1360 1 3 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.669 -0.101 25810 1361 1 3 . 1 1 58 58 GLN H H 58 8.003 8.003 8.315 -0.312 25810 1362 1 3 . 1 1 59 59 GLU N N 59 119.049 119.049 118.927 0.122 25810 1363 1 3 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.125 -0.028 25810 1364 1 3 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.042 0.599 25810 1365 1 3 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.366 0.255 25810 1366 1 3 . 1 1 59 59 GLU H H 59 7.979 7.979 7.874 0.105 25810 1367 1 3 . 1 1 60 60 MET N N 60 117.492 117.492 119.013 -1.521 25810 1368 1 3 . 1 1 60 60 MET HA H 60 4.083 4.083 4.130 -0.047 25810 1369 1 3 . 1 1 60 60 MET CA C 60 59.764 59.764 59.821 -0.057 25810 1370 1 3 . 1 1 60 60 MET CB C 60 34.533 34.533 32.736 1.797 25810 1371 1 3 . 1 1 60 60 MET H H 60 7.776 7.776 7.876 -0.100 25810 1372 1 3 . 1 1 61 61 ILE N N 61 118.035 118.035 120.903 -2.868 25810 1373 1 3 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.579 0.138 25810 1374 1 3 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.613 -2.500 25810 1375 1 3 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.446 -1.155 25810 1376 1 3 . 1 1 61 61 ILE H H 61 7.564 7.564 8.346 -0.782 25810 1377 1 3 . 1 1 62 62 ASP N N 62 119.355 119.355 120.278 -0.923 25810 1378 1 3 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.366 -0.019 25810 1379 1 3 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.458 0.218 25810 1380 1 3 . 1 1 62 62 ASP CB C 62 40.352 40.352 39.955 0.398 25810 1381 1 3 . 1 1 62 62 ASP H H 62 8.801 8.801 8.121 0.680 25810 1382 1 3 . 1 1 63 63 GLU N N 63 116.439 116.439 119.069 -2.630 25810 1383 1 3 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.172 -0.109 25810 1384 1 3 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.645 0.176 25810 1385 1 3 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.619 0.505 25810 1386 1 3 . 1 1 63 63 GLU H H 63 7.702 7.702 7.553 0.149 25810 1387 1 3 . 1 1 64 64 VAL N N 64 112.796 112.796 117.041 -4.245 25810 1388 1 3 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.874 0.320 25810 1389 1 3 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.178 -3.567 25810 1390 1 3 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.900 0.764 25810 1391 1 3 . 1 1 64 64 VAL H H 64 7.151 7.151 7.803 -0.652 25810 1392 1 3 . 1 1 65 65 ASP N N 65 121.138 121.138 118.598 2.540 25810 1393 1 3 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.637 -0.127 25810 1394 1 3 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.343 -1.778 25810 1395 1 3 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.596 -0.579 25810 1396 1 3 . 1 1 65 65 ASP H H 65 7.866 7.866 8.059 -0.193 25810 1397 1 3 . 1 1 66 66 GLU N N 66 128.324 128.324 126.599 1.725 25810 1398 1 3 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.152 0.042 25810 1399 1 3 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.786 -0.334 25810 1400 1 3 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.014 1.099 25810 1401 1 3 . 1 1 66 66 GLU H H 66 8.187 8.187 9.118 -0.931 25810 1402 1 3 . 1 1 67 67 ASP N N 67 114.662 114.662 115.119 -0.457 25810 1403 1 3 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.638 0.052 25810 1404 1 3 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.252 -0.492 25810 1405 1 3 . 1 1 67 67 ASP CB C 67 40.354 40.354 39.986 0.368 25810 1406 1 3 . 1 1 67 67 ASP H H 67 8.111 8.111 8.248 -0.137 25810 1407 1 3 . 1 1 68 68 GLY N N 68 109.084 109.084 107.877 1.207 25810 1408 1 3 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.213 0.923 25810 1409 1 3 . 1 1 68 68 GLY H H 68 7.771 7.771 7.620 0.151 25810 1410 1 3 . 1 1 69 69 SER N N 69 117.283 117.283 116.898 0.385 25810 1411 1 3 . 1 1 69 69 SER HA H 69 4.217 4.217 4.288 -0.071 25810 1412 1 3 . 1 1 69 69 SER CA C 69 60.270 60.270 59.105 1.165 25810 1413 1 3 . 1 1 69 69 SER CB C 69 64.648 64.648 63.989 0.659 25810 1414 1 3 . 1 1 69 69 SER H H 69 8.632 8.632 9.014 -0.382 25810 1415 1 3 . 1 1 70 70 GLY N N 70 116.242 116.242 110.400 5.842 25810 1416 1 3 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.431 0.057 25810 1417 1 3 . 1 1 70 70 GLY H H 70 10.710 10.710 9.171 1.539 25810 1418 1 3 . 1 1 71 71 THR N N 71 106.843 106.843 110.865 -4.022 25810 1419 1 3 . 1 1 71 71 THR HA H 71 4.941 4.941 5.108 -0.167 25810 1420 1 3 . 1 1 71 71 THR CA C 71 58.422 58.422 59.534 -1.112 25810 1421 1 3 . 1 1 71 71 THR CB C 71 73.822 73.822 72.855 0.967 25810 1422 1 3 . 1 1 71 71 THR H H 71 7.551 7.551 7.621 -0.070 25810 1423 1 3 . 1 1 72 72 VAL N N 72 127.231 127.231 123.340 3.891 25810 1424 1 3 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.735 0.339 25810 1425 1 3 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.507 0.290 25810 1426 1 3 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.429 1.496 25810 1427 1 3 . 1 1 72 72 VAL H H 72 9.690 9.690 8.177 1.513 25810 1428 1 3 . 1 1 73 73 ASP N N 73 129.232 129.232 127.594 1.638 25810 1429 1 3 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.962 0.130 25810 1430 1 3 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.190 -0.809 25810 1431 1 3 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.241 -0.201 25810 1432 1 3 . 1 1 73 73 ASP H H 73 8.828 8.828 8.434 0.394 25810 1433 1 3 . 1 1 74 74 PHE N N 74 118.313 118.313 119.556 -1.243 25810 1434 1 3 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.878 -0.597 25810 1435 1 3 . 1 1 74 74 PHE CA C 74 61.369 61.369 64.054 -2.685 25810 1436 1 3 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.160 -0.570 25810 1437 1 3 . 1 1 74 74 PHE H H 74 8.496 8.496 9.150 -0.654 25810 1438 1 3 . 1 1 75 75 ASP N N 75 117.592 117.592 118.387 -0.795 25810 1439 1 3 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.340 -0.416 25810 1440 1 3 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.480 0.376 25810 1441 1 3 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.713 0.271 25810 1442 1 3 . 1 1 75 75 ASP H H 75 7.708 7.708 8.747 -1.039 25810 1443 1 3 . 1 1 76 76 GLU N N 76 120.100 120.100 121.258 -1.158 25810 1444 1 3 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.035 -0.116 25810 1445 1 3 . 1 1 76 76 GLU CA C 76 58.410 58.410 58.733 -0.323 25810 1446 1 3 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.809 0.418 25810 1447 1 3 . 1 1 76 76 GLU H H 76 8.267 8.267 7.866 0.401 25810 1448 1 3 . 1 1 77 77 PHE N N 77 122.101 122.101 120.566 1.535 25810 1449 1 3 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.173 -0.482 25810 1450 1 3 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.207 -0.291 25810 1451 1 3 . 1 1 77 77 PHE CB C 77 40.070 40.070 38.984 1.085 25810 1452 1 3 . 1 1 77 77 PHE H H 77 8.760 8.760 8.626 0.134 25810 1453 1 3 . 1 1 78 78 LEU N N 78 120.110 120.110 120.125 -0.015 25810 1454 1 3 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.728 -0.501 25810 1455 1 3 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.372 -0.257 25810 1456 1 3 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.783 -0.173 25810 1457 1 3 . 1 1 78 78 LEU H H 78 8.404 8.404 8.072 0.332 25810 1458 1 3 . 1 1 79 79 VAL N N 79 116.259 116.259 118.598 -2.339 25810 1459 1 3 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.485 -0.278 25810 1460 1 3 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.390 0.239 25810 1461 1 3 . 1 1 79 79 VAL CB C 79 31.437 31.437 30.983 0.454 25810 1462 1 3 . 1 1 79 79 VAL H H 79 7.132 7.132 7.522 -0.390 25810 1463 1 3 . 1 1 80 80 MET N N 80 118.429 118.429 119.658 -1.229 25810 1464 1 3 . 1 1 80 80 MET HA H 80 3.810 3.810 3.939 -0.129 25810 1465 1 3 . 1 1 80 80 MET CA C 80 57.828 57.828 58.935 -1.107 25810 1466 1 3 . 1 1 80 80 MET CB C 80 31.114 31.114 32.464 -1.350 25810 1467 1 3 . 1 1 80 80 MET H H 80 7.191 7.191 7.681 -0.490 25810 1468 1 3 . 1 1 81 81 MET H H 81 8.104 8.104 7.683 0.421 25810 1469 1 3 . 1 1 86 86 LYS N N 86 118.058 118.058 122.795 -4.737 25810 1470 1 3 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.904 0.396 25810 1471 1 3 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.876 -2.478 25810 1472 1 3 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.643 0.203 25810 1473 1 3 . 1 1 86 86 LYS H H 86 7.750 7.750 8.375 -0.625 25810 1474 1 3 . 1 1 87 87 ASP N N 87 120.199 120.199 117.343 2.856 25810 1475 1 3 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.445 0.213 25810 1476 1 3 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.258 -2.141 25810 1477 1 3 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.136 1.240 25810 1478 1 3 . 1 1 87 87 ASP H H 87 8.102 8.102 7.661 0.441 25810 1479 1 3 . 1 1 88 88 ASP N N 88 121.497 121.497 119.115 2.382 25810 1480 1 3 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.404 0.286 25810 1481 1 3 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.753 -2.087 25810 1482 1 3 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.520 0.638 25810 1483 1 3 . 1 1 88 88 ASP H H 88 8.363 8.363 8.365 -0.002 25810 1484 1 3 . 1 1 89 89 SER N N 89 115.602 115.602 114.257 1.345 25810 1485 1 3 . 1 1 89 89 SER HA H 89 4.347 4.347 4.180 0.167 25810 1486 1 3 . 1 1 89 89 SER CA C 89 59.571 59.571 61.092 -1.520 25810 1487 1 3 . 1 1 89 89 SER CB C 89 63.999 63.999 63.556 0.443 25810 1488 1 3 . 1 1 89 89 SER H H 89 8.251 8.251 8.256 -0.005 25810 1489 1 3 . 1 1 90 90 GLU N N 90 121.265 121.265 121.232 0.033 25810 1490 1 3 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.124 0.106 25810 1491 1 3 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.461 -1.409 25810 1492 1 3 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.400 -0.590 25810 1493 1 3 . 1 1 90 90 GLU H H 90 8.331 8.331 8.224 0.107 25810 1494 1 3 . 1 1 91 91 ASN N N 91 118.544 118.544 113.504 5.040 25810 1495 1 3 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.605 0.050 25810 1496 1 3 . 1 1 91 91 ASN CA C 91 53.461 53.461 52.611 0.850 25810 1497 1 3 . 1 1 91 91 ASN CB C 91 39.208 39.208 40.251 -1.043 25810 1498 1 3 . 1 1 91 91 ASN H H 91 8.131 8.131 8.344 -0.213 25810 1499 1 3 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.597 -0.604 25810 1500 1 3 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.574 0.837 25810 1501 1 3 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.914 -0.632 25810 1502 1 3 . 1 1 96 96 GLY N N 96 109.372 109.372 112.096 -2.724 25810 1503 1 3 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.050 0.638 25810 1504 1 3 . 1 1 96 96 GLY H H 96 8.110 8.110 8.462 -0.352 25810 1505 1 3 . 1 1 97 97 ARG N N 97 120.154 120.154 121.850 -1.696 25810 1506 1 3 . 1 1 97 97 ARG HA H 97 4.467 4.467 3.882 0.585 25810 1507 1 3 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.646 -1.080 25810 1508 1 3 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.390 1.115 25810 1509 1 3 . 1 1 97 97 ARG H H 97 7.966 7.966 8.632 -0.666 25810 1510 1 3 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.471 -0.329 25810 1511 1 3 . 1 1 99 99 VAL CA C 99 62.039 62.039 59.952 2.087 25810 1512 1 3 . 1 1 99 99 VAL CB C 99 30.875 30.875 35.060 -4.185 25810 1513 1 3 . 1 1 100 100 ARG N N 100 125.661 125.661 121.551 4.110 25810 1514 1 3 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.474 0.027 25810 1515 1 3 . 1 1 100 100 ARG CA C 100 55.557 55.557 56.276 -0.720 25810 1516 1 3 . 1 1 100 100 ARG H H 100 8.379 8.379 8.497 -0.118 25810 1517 1 3 . 1 1 102 102 SER HA H 102 4.356 4.356 4.622 -0.266 25810 1518 1 3 . 1 1 102 102 SER CA C 102 57.361 57.361 56.812 0.549 25810 1519 1 3 . 1 1 102 102 SER CB C 102 65.237 65.237 64.840 0.397 25810 1520 1 3 . 1 1 103 103 ALA N N 103 125.468 125.468 127.769 -2.301 25810 1521 1 3 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.128 -0.117 25810 1522 1 3 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.822 1.163 25810 1523 1 3 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.771 -0.178 25810 1524 1 3 . 1 1 103 103 ALA H H 103 9.148 9.148 8.926 0.222 25810 1525 1 3 . 1 1 104 104 ASP N N 104 115.217 115.217 119.439 -4.222 25810 1526 1 3 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.288 0.020 25810 1527 1 3 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.495 -0.188 25810 1528 1 3 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.302 0.676 25810 1529 1 3 . 1 1 104 104 ASP H H 104 8.517 8.517 7.963 0.554 25810 1530 1 3 . 1 1 105 105 ALA N N 105 122.884 122.884 121.949 0.935 25810 1531 1 3 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.236 -0.156 25810 1532 1 3 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.828 0.276 25810 1533 1 3 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.485 -0.148 25810 1534 1 3 . 1 1 105 105 ALA H H 105 7.953 7.953 7.929 0.024 25810 1535 1 3 . 1 1 106 106 MET N N 106 118.710 118.710 119.660 -0.950 25810 1536 1 3 . 1 1 106 106 MET HA H 106 3.987 3.987 4.148 -0.161 25810 1537 1 3 . 1 1 106 106 MET CA C 106 59.704 59.704 58.102 1.602 25810 1538 1 3 . 1 1 106 106 MET CB C 106 33.450 33.450 32.671 0.779 25810 1539 1 3 . 1 1 106 106 MET H H 106 8.186 8.186 8.338 -0.152 25810 1540 1 3 . 1 1 107 107 MET N N 107 116.864 116.864 116.977 -0.113 25810 1541 1 3 . 1 1 107 107 MET HA H 107 4.446 4.446 4.142 0.304 25810 1542 1 3 . 1 1 107 107 MET CA C 107 57.649 57.649 58.839 -1.190 25810 1543 1 3 . 1 1 107 107 MET CB C 107 31.359 31.359 31.461 -0.102 25810 1544 1 3 . 1 1 107 107 MET H H 107 8.483 8.483 8.533 -0.050 25810 1545 1 3 . 1 1 108 108 GLN N N 108 117.959 117.959 120.528 -2.569 25810 1546 1 3 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.948 0.061 25810 1547 1 3 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.005 -0.020 25810 1548 1 3 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.805 -0.285 25810 1549 1 3 . 1 1 108 108 GLN H H 108 8.359 8.359 7.754 0.605 25810 1550 1 3 . 1 1 109 109 ALA N N 109 121.657 121.657 122.042 -0.385 25810 1551 1 3 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.038 0.101 25810 1552 1 3 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.927 -0.162 25810 1553 1 3 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.548 -0.109 25810 1554 1 3 . 1 1 109 109 ALA H H 109 7.855 7.855 7.856 -0.001 25810 1555 1 3 . 1 1 110 110 LEU N N 110 116.183 116.183 118.653 -2.470 25810 1556 1 3 . 1 1 110 110 LEU HA H 110 4.125 4.125 3.975 0.150 25810 1557 1 3 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.121 0.311 25810 1558 1 3 . 1 1 110 110 LEU CB C 110 42.632 42.632 41.939 0.693 25810 1559 1 3 . 1 1 110 110 LEU H H 110 7.933 7.933 7.704 0.229 25810 1560 1 3 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.659 -0.049 25810 1561 1 3 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.531 1.361 25810 1562 1 3 . 1 1 112 112 GLY N N 112 109.198 109.198 106.262 2.936 25810 1563 1 3 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.241 0.826 25810 1564 1 3 . 1 1 112 112 GLY H H 112 7.928 7.928 7.268 0.660 25810 1565 1 3 . 1 1 113 113 ALA N N 113 124.374 124.374 122.656 1.718 25810 1566 1 3 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.147 0.116 25810 1567 1 3 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.847 0.557 25810 1568 1 3 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.670 -0.957 25810 1569 1 3 . 1 1 113 113 ALA H H 113 8.211 8.211 7.571 0.641 25810 1570 1 3 . 1 1 114 114 ARG N N 114 117.947 117.947 124.843 -6.896 25810 1571 1 3 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.367 -0.120 25810 1572 1 3 . 1 1 114 114 ARG CA C 114 56.568 56.568 55.215 1.353 25810 1573 1 3 . 1 1 114 114 ARG CB C 114 30.389 30.389 31.009 -0.620 25810 1574 1 3 . 1 1 114 114 ARG H H 114 7.974 7.974 8.396 -0.422 25810 1575 1 3 . 1 1 115 115 ALA N N 115 123.079 123.079 122.039 1.040 25810 1576 1 3 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.154 0.062 25810 1577 1 3 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.751 1.032 25810 1578 1 3 . 1 1 115 115 ALA CB C 115 18.915 18.915 18.742 0.173 25810 1579 1 3 . 1 1 115 115 ALA H H 115 7.969 7.969 8.093 -0.124 25810 1580 1 3 . 1 1 116 116 LYS N N 116 120.562 120.562 121.264 -0.702 25810 1581 1 3 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.325 -0.086 25810 1582 1 3 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.150 1.271 25810 1583 1 3 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.934 0.439 25810 1584 1 3 . 1 1 116 116 LYS H H 116 8.310 8.310 8.276 0.034 25810 1585 1 3 . 1 1 117 117 GLU N N 117 121.115 121.115 123.875 -2.760 25810 1586 1 3 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.120 0.139 25810 1587 1 3 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.618 -1.271 25810 1588 1 3 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.519 0.518 25810 1589 1 3 . 1 1 117 117 GLU H H 117 8.646 8.646 8.988 -0.342 25810 1590 1 3 . 1 1 118 118 SER N N 118 115.616 115.616 114.484 1.132 25810 1591 1 3 . 1 1 118 118 SER HA H 118 4.322 4.322 4.229 0.093 25810 1592 1 3 . 1 1 118 118 SER CA C 118 59.082 59.082 60.509 -1.427 25810 1593 1 3 . 1 1 118 118 SER CB C 118 63.624 63.624 63.115 0.509 25810 1594 1 3 . 1 1 118 118 SER H H 118 8.346 8.346 8.026 0.320 25810 1595 1 3 . 1 1 119 119 LEU N N 119 122.984 122.984 120.789 2.195 25810 1596 1 3 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.306 0.002 25810 1597 1 3 . 1 1 119 119 LEU CA C 119 55.503 55.503 55.978 -0.475 25810 1598 1 3 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.431 -0.170 25810 1599 1 3 . 1 1 119 119 LEU H H 119 7.970 7.970 7.548 0.422 25810 1600 1 3 . 1 1 120 120 ASP N N 120 120.516 120.516 117.653 2.863 25810 1601 1 3 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.232 0.378 25810 1602 1 3 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.800 -0.348 25810 1603 1 3 . 1 1 120 120 ASP CB C 120 41.020 41.020 39.136 1.884 25810 1604 1 3 . 1 1 120 120 ASP H H 120 8.149 8.149 8.090 0.059 25810 1605 1 3 . 1 1 121 121 LEU N N 121 122.598 122.598 115.660 6.938 25810 1606 1 3 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.008 0.267 25810 1607 1 3 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.847 0.174 25810 1608 1 3 . 1 1 121 121 LEU CB C 121 42.054 42.054 43.013 -0.959 25810 1609 1 3 . 1 1 121 121 LEU H H 121 8.111 8.111 7.913 0.198 25810 1610 1 3 . 1 1 122 122 ARG N N 122 119.425 119.425 121.868 -2.443 25810 1611 1 3 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.235 0.012 25810 1612 1 3 . 1 1 122 122 ARG CA C 122 56.615 56.615 55.751 0.864 25810 1613 1 3 . 1 1 122 122 ARG CB C 122 30.436 30.436 31.023 -0.587 25810 1614 1 3 . 1 1 122 122 ARG H H 122 8.131 8.131 8.435 -0.304 25810 1615 1 3 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.728 1.416 25810 1616 1 3 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.300 -0.177 25810 1617 1 3 . 1 1 124 124 HIS N N 124 117.075 117.075 120.880 -3.805 25810 1618 1 3 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.484 0.613 25810 1619 1 3 . 1 1 124 124 HIS CB C 124 30.425 30.425 32.232 -1.807 25810 1620 1 3 . 1 1 124 124 HIS H H 124 8.185 8.185 8.519 -0.334 25810 1621 1 3 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.528 -0.174 25810 1622 1 3 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.024 0.233 25810 1623 1 3 . 1 1 125 125 LEU CB C 125 42.301 42.301 41.974 0.327 25810 1624 1 4 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.628 -0.051 25810 1625 1 4 . 1 1 -7 -7 GLY N N -7 108.818 108.818 107.928 0.890 25810 1626 1 4 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.267 -0.083 25810 1627 1 4 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.584 -0.254 25810 1628 1 4 . 1 1 0 0 ASP N N 0 115.716 115.716 116.913 -1.197 25810 1629 1 4 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.499 -0.011 25810 1630 1 4 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.349 0.334 25810 1631 1 4 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.604 0.392 25810 1632 1 4 . 1 1 0 0 ASP H H 0 8.155 8.155 8.429 -0.274 25810 1633 1 4 . 1 1 1 1 MET N N 1 121.815 121.815 118.954 2.861 25810 1634 1 4 . 1 1 1 1 MET HA H 1 4.450 4.450 4.850 -0.400 25810 1635 1 4 . 1 1 1 1 MET CA C 1 55.996 55.996 54.273 1.723 25810 1636 1 4 . 1 1 1 1 MET CB C 1 32.334 32.334 32.859 -0.525 25810 1637 1 4 . 1 1 1 1 MET H H 1 8.553 8.553 8.570 -0.017 25810 1638 1 4 . 1 1 2 2 ASP N N 2 119.828 119.828 125.514 -5.686 25810 1639 1 4 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.437 0.044 25810 1640 1 4 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.251 -1.128 25810 1641 1 4 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.913 0.198 25810 1642 1 4 . 1 1 3 3 ASP N N 3 119.912 119.912 119.497 0.415 25810 1643 1 4 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.410 0.066 25810 1644 1 4 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.959 -0.739 25810 1645 1 4 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.391 0.551 25810 1646 1 4 . 1 1 3 3 ASP H H 3 8.098 8.098 8.619 -0.521 25810 1647 1 4 . 1 1 4 4 ILE N N 4 120.617 120.617 120.156 0.461 25810 1648 1 4 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.670 0.177 25810 1649 1 4 . 1 1 4 4 ILE CA C 4 63.837 63.837 63.956 -0.119 25810 1650 1 4 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.769 0.019 25810 1651 1 4 . 1 1 4 4 ILE H H 4 7.897 7.897 7.445 0.452 25810 1652 1 4 . 1 1 5 5 TYR N N 5 121.116 121.116 119.079 2.037 25810 1653 1 4 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.991 0.317 25810 1654 1 4 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.416 -2.165 25810 1655 1 4 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.994 -0.405 25810 1656 1 4 . 1 1 5 5 TYR H H 5 7.961 7.961 7.527 0.434 25810 1657 1 4 . 1 1 6 6 LYS N N 6 120.005 120.005 120.106 -0.101 25810 1658 1 4 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.897 0.026 25810 1659 1 4 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.526 0.017 25810 1660 1 4 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.398 -0.043 25810 1661 1 4 . 1 1 6 6 LYS H H 6 8.008 8.008 8.456 -0.448 25810 1662 1 4 . 1 1 7 7 ALA N N 7 120.589 120.589 121.614 -1.025 25810 1663 1 4 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.102 0.052 25810 1664 1 4 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.957 -0.440 25810 1665 1 4 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.293 -0.207 25810 1666 1 4 . 1 1 7 7 ALA H H 7 7.816 7.816 8.095 -0.279 25810 1667 1 4 . 1 1 8 8 ALA N N 8 120.065 120.065 121.490 -1.425 25810 1668 1 4 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.981 0.173 25810 1669 1 4 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.743 -0.045 25810 1670 1 4 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.348 0.135 25810 1671 1 4 . 1 1 8 8 ALA H H 8 7.622 7.622 7.829 -0.207 25810 1672 1 4 . 1 1 9 9 VAL N N 9 118.101 118.101 118.692 -0.591 25810 1673 1 4 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.495 0.064 25810 1674 1 4 . 1 1 9 9 VAL CA C 9 66.034 66.034 67.206 -1.172 25810 1675 1 4 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.736 -0.054 25810 1676 1 4 . 1 1 9 9 VAL H H 9 7.974 7.974 7.905 0.069 25810 1677 1 4 . 1 1 10 10 GLU N N 10 118.217 118.217 118.417 -0.200 25810 1678 1 4 . 1 1 10 10 GLU HA H 10 4.127 4.127 3.978 0.149 25810 1679 1 4 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.871 -0.602 25810 1680 1 4 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.835 -0.271 25810 1681 1 4 . 1 1 10 10 GLU H H 10 7.682 7.682 7.841 -0.159 25810 1682 1 4 . 1 1 11 11 GLN N N 11 114.903 114.903 116.814 -1.911 25810 1683 1 4 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.138 0.185 25810 1684 1 4 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.514 -1.862 25810 1685 1 4 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.630 -0.183 25810 1686 1 4 . 1 1 11 11 GLN H H 11 7.404 7.404 7.791 -0.387 25810 1687 1 4 . 1 1 12 12 LEU N N 12 120.467 120.467 120.313 0.154 25810 1688 1 4 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.213 0.369 25810 1689 1 4 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.395 0.602 25810 1690 1 4 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.566 1.000 25810 1691 1 4 . 1 1 12 12 LEU H H 12 7.354 7.354 7.936 -0.582 25810 1692 1 4 . 1 1 13 13 THR N N 13 113.431 113.431 110.295 3.136 25810 1693 1 4 . 1 1 13 13 THR HA H 13 4.462 4.462 4.539 -0.077 25810 1694 1 4 . 1 1 13 13 THR CA C 13 60.759 60.759 59.498 1.261 25810 1695 1 4 . 1 1 13 13 THR CB C 13 71.101 71.101 71.356 -0.255 25810 1696 1 4 . 1 1 13 13 THR H H 13 8.844 8.844 7.614 1.230 25810 1697 1 4 . 1 1 14 14 GLU N N 14 121.790 121.790 120.778 1.012 25810 1698 1 4 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.994 -0.031 25810 1699 1 4 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.172 -0.298 25810 1700 1 4 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.476 -0.158 25810 1701 1 4 . 1 1 14 14 GLU H H 14 9.013 9.013 8.851 0.162 25810 1702 1 4 . 1 1 15 15 GLU N N 15 117.495 117.495 118.548 -1.053 25810 1703 1 4 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.024 0.036 25810 1704 1 4 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.290 1.042 25810 1705 1 4 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.244 -0.068 25810 1706 1 4 . 1 1 15 15 GLU H H 15 8.653 8.653 8.201 0.452 25810 1707 1 4 . 1 1 16 16 GLN N N 16 119.205 119.205 118.134 1.071 25810 1708 1 4 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.104 -0.247 25810 1709 1 4 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.488 0.460 25810 1710 1 4 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.256 1.476 25810 1711 1 4 . 1 1 16 16 GLN H H 16 7.839 7.839 7.511 0.328 25810 1712 1 4 . 1 1 17 17 LYS N N 17 119.027 119.027 119.906 -0.879 25810 1713 1 4 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.919 0.105 25810 1714 1 4 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.800 1.888 25810 1715 1 4 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.184 -0.128 25810 1716 1 4 . 1 1 17 17 LYS H H 17 8.539 8.539 7.983 0.556 25810 1717 1 4 . 1 1 18 18 ASN N N 18 117.428 117.428 118.092 -0.664 25810 1718 1 4 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.470 0.092 25810 1719 1 4 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.531 -0.357 25810 1720 1 4 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.226 -0.422 25810 1721 1 4 . 1 1 18 18 ASN H H 18 8.552 8.552 7.892 0.660 25810 1722 1 4 . 1 1 19 19 GLU N N 19 123.611 123.611 120.551 3.060 25810 1723 1 4 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.156 0.049 25810 1724 1 4 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.217 0.581 25810 1725 1 4 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.858 -0.452 25810 1726 1 4 . 1 1 19 19 GLU H H 19 8.012 8.012 7.902 0.110 25810 1727 1 4 . 1 1 20 20 PHE N N 20 117.357 117.357 118.707 -1.350 25810 1728 1 4 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.394 0.460 25810 1729 1 4 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.501 0.232 25810 1730 1 4 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.646 -0.324 25810 1731 1 4 . 1 1 20 20 PHE H H 20 8.320 8.320 8.939 -0.619 25810 1732 1 4 . 1 1 21 21 LYS N N 21 122.064 122.064 120.432 1.632 25810 1733 1 4 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.133 -0.108 25810 1734 1 4 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.518 -0.844 25810 1735 1 4 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.983 -0.299 25810 1736 1 4 . 1 1 21 21 LYS H H 21 8.864 8.864 8.012 0.852 25810 1737 1 4 . 1 1 22 22 ALA N N 22 121.827 121.827 121.182 0.645 25810 1738 1 4 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.183 0.030 25810 1739 1 4 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.184 -0.453 25810 1740 1 4 . 1 1 22 22 ALA H H 22 8.009 8.009 7.599 0.410 25810 1741 1 4 . 1 1 23 23 ALA N N 23 119.945 119.945 121.453 -1.508 25810 1742 1 4 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.146 -0.017 25810 1743 1 4 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.899 0.440 25810 1744 1 4 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.345 0.641 25810 1745 1 4 . 1 1 23 23 ALA H H 23 8.178 8.178 7.586 0.592 25810 1746 1 4 . 1 1 24 24 PHE N N 24 121.275 121.275 119.014 2.261 25810 1747 1 4 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.873 -0.335 25810 1748 1 4 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.862 0.551 25810 1749 1 4 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.128 0.613 25810 1750 1 4 . 1 1 24 24 PHE H H 24 8.925 8.925 8.184 0.741 25810 1751 1 4 . 1 1 25 25 ASP N N 25 117.407 117.407 119.308 -1.901 25810 1752 1 4 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.297 -0.033 25810 1753 1 4 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.802 -0.788 25810 1754 1 4 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.483 -0.586 25810 1755 1 4 . 1 1 25 25 ASP H H 25 8.714 8.714 8.195 0.519 25810 1756 1 4 . 1 1 26 26 ILE N N 26 119.320 119.320 118.952 0.368 25810 1757 1 4 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.659 0.158 25810 1758 1 4 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.707 -1.293 25810 1759 1 4 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.019 -0.577 25810 1760 1 4 . 1 1 26 26 ILE H H 26 7.337 7.337 7.433 -0.096 25810 1761 1 4 . 1 1 27 27 PHE N N 27 123.734 123.734 118.365 5.369 25810 1762 1 4 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.565 -0.989 25810 1763 1 4 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.351 1.267 25810 1764 1 4 . 1 1 27 27 PHE H H 27 8.139 8.139 7.819 0.320 25810 1765 1 4 . 1 1 28 28 VAL N N 28 105.007 105.007 110.217 -5.210 25810 1766 1 4 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.172 -0.089 25810 1767 1 4 . 1 1 28 28 VAL CA C 28 61.156 61.156 60.758 0.398 25810 1768 1 4 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.450 -0.058 25810 1769 1 4 . 1 1 28 28 VAL H H 28 7.505 7.505 7.709 -0.204 25810 1770 1 4 . 1 1 29 29 LEU N N 29 126.175 126.175 125.002 1.173 25810 1771 1 4 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.205 -0.110 25810 1772 1 4 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.269 1.227 25810 1773 1 4 . 1 1 29 29 LEU CB C 29 41.575 41.575 40.711 0.864 25810 1774 1 4 . 1 1 29 29 LEU H H 29 7.274 7.274 7.343 -0.069 25810 1775 1 4 . 1 1 30 30 GLY N N 30 113.173 113.173 112.893 0.280 25810 1776 1 4 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.163 0.377 25810 1777 1 4 . 1 1 30 30 GLY H H 30 8.950 8.950 8.587 0.363 25810 1778 1 4 . 1 1 31 31 ALA N N 31 124.109 124.109 123.240 0.869 25810 1779 1 4 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.635 -0.178 25810 1780 1 4 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.334 0.894 25810 1781 1 4 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.113 0.809 25810 1782 1 4 . 1 1 31 31 ALA H H 31 8.131 8.131 7.654 0.477 25810 1783 1 4 . 1 1 32 32 GLU N N 32 124.956 124.956 124.292 0.664 25810 1784 1 4 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.043 0.057 25810 1785 1 4 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.881 0.212 25810 1786 1 4 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.659 0.227 25810 1787 1 4 . 1 1 32 32 GLU H H 32 9.204 9.204 8.951 0.253 25810 1788 1 4 . 1 1 33 33 ASP N N 33 115.544 115.544 117.936 -2.392 25810 1789 1 4 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.667 0.098 25810 1790 1 4 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.590 -1.519 25810 1791 1 4 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.732 0.651 25810 1792 1 4 . 1 1 33 33 ASP H H 33 8.156 8.156 8.301 -0.145 25810 1793 1 4 . 1 1 34 34 GLY N N 34 105.580 105.580 106.666 -1.086 25810 1794 1 4 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.190 1.549 25810 1795 1 4 . 1 1 34 34 GLY H H 34 7.582 7.582 8.327 -0.745 25810 1796 1 4 . 1 1 35 35 SER N N 35 113.292 113.292 113.851 -0.559 25810 1797 1 4 . 1 1 35 35 SER HA H 35 4.960 4.960 4.546 0.414 25810 1798 1 4 . 1 1 35 35 SER CA C 35 57.390 57.390 56.639 0.751 25810 1799 1 4 . 1 1 35 35 SER CB C 35 66.240 66.240 65.620 0.620 25810 1800 1 4 . 1 1 35 35 SER H H 35 7.584 7.584 7.519 0.065 25810 1801 1 4 . 1 1 36 36 ILE N N 36 119.513 119.513 122.578 -3.065 25810 1802 1 4 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.220 -0.457 25810 1803 1 4 . 1 1 36 36 ILE CA C 36 63.288 63.288 61.356 1.931 25810 1804 1 4 . 1 1 36 36 ILE CB C 36 39.605 39.605 38.158 1.447 25810 1805 1 4 . 1 1 36 36 ILE H H 36 9.028 9.028 8.594 0.434 25810 1806 1 4 . 1 1 37 37 SER N N 37 126.146 126.146 122.572 3.574 25810 1807 1 4 . 1 1 37 37 SER HA H 37 5.198 5.198 4.915 0.283 25810 1808 1 4 . 1 1 37 37 SER CA C 37 57.010 57.010 56.403 0.607 25810 1809 1 4 . 1 1 37 37 SER CB C 37 67.563 67.563 65.880 1.683 25810 1810 1 4 . 1 1 37 37 SER H H 37 9.571 9.571 8.615 0.956 25810 1811 1 4 . 1 1 38 38 THR N N 38 111.059 111.059 115.236 -4.177 25810 1812 1 4 . 1 1 38 38 THR HA H 38 4.514 4.514 4.113 0.401 25810 1813 1 4 . 1 1 38 38 THR CA C 38 66.653 66.653 65.665 0.988 25810 1814 1 4 . 1 1 38 38 THR CB C 38 68.362 68.362 68.489 -0.127 25810 1815 1 4 . 1 1 38 38 THR H H 38 8.794 8.794 8.635 0.159 25810 1816 1 4 . 1 1 39 39 LYS N N 39 123.369 123.369 121.819 1.550 25810 1817 1 4 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.986 0.070 25810 1818 1 4 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.716 0.050 25810 1819 1 4 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.237 -0.034 25810 1820 1 4 . 1 1 39 39 LYS H H 39 8.044 8.044 7.637 0.407 25810 1821 1 4 . 1 1 40 40 GLU N N 40 119.970 119.970 120.047 -0.077 25810 1822 1 4 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.047 0.127 25810 1823 1 4 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.519 1.753 25810 1824 1 4 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.363 0.829 25810 1825 1 4 . 1 1 40 40 GLU H H 40 7.714 7.714 7.716 -0.002 25810 1826 1 4 . 1 1 41 41 LEU N N 41 119.088 119.088 120.720 -1.632 25810 1827 1 4 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.107 0.142 25810 1828 1 4 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.461 0.410 25810 1829 1 4 . 1 1 41 41 LEU CB C 41 42.236 42.236 42.015 0.221 25810 1830 1 4 . 1 1 41 41 LEU H H 41 8.375 8.375 8.081 0.294 25810 1831 1 4 . 1 1 42 42 GLY N N 42 106.311 106.311 106.822 -0.511 25810 1832 1 4 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.056 1.175 25810 1833 1 4 . 1 1 42 42 GLY H H 42 8.581 8.581 8.728 -0.147 25810 1834 1 4 . 1 1 43 43 LYS N N 43 120.717 120.717 122.579 -1.862 25810 1835 1 4 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.974 -0.003 25810 1836 1 4 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.385 0.655 25810 1837 1 4 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.402 -0.009 25810 1838 1 4 . 1 1 43 43 LYS H H 43 7.293 7.293 7.960 -0.667 25810 1839 1 4 . 1 1 44 44 VAL N N 44 119.884 119.884 119.546 0.338 25810 1840 1 4 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.545 0.096 25810 1841 1 4 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.605 -0.161 25810 1842 1 4 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.733 0.323 25810 1843 1 4 . 1 1 44 44 VAL H H 44 7.560 7.560 7.642 -0.082 25810 1844 1 4 . 1 1 45 45 MET N N 45 117.256 117.256 118.139 -0.883 25810 1845 1 4 . 1 1 45 45 MET HA H 45 4.179 4.179 4.090 0.089 25810 1846 1 4 . 1 1 45 45 MET CA C 45 57.934 57.934 58.170 -0.236 25810 1847 1 4 . 1 1 45 45 MET CB C 45 31.407 31.407 31.593 -0.186 25810 1848 1 4 . 1 1 45 45 MET H H 45 8.575 8.575 7.870 0.705 25810 1849 1 4 . 1 1 46 46 ARG N N 46 118.652 118.652 119.563 -0.911 25810 1850 1 4 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.279 0.315 25810 1851 1 4 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.173 0.250 25810 1852 1 4 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.084 -0.224 25810 1853 1 4 . 1 1 46 46 ARG H H 46 8.080 8.080 8.476 -0.396 25810 1854 1 4 . 1 1 47 47 MET N N 47 122.632 122.632 120.866 1.766 25810 1855 1 4 . 1 1 47 47 MET HA H 47 4.179 4.179 4.155 0.024 25810 1856 1 4 . 1 1 47 47 MET CA C 47 59.178 59.178 58.790 0.388 25810 1857 1 4 . 1 1 47 47 MET CB C 47 32.669 32.669 32.638 0.031 25810 1858 1 4 . 1 1 47 47 MET H H 47 7.864 7.864 7.926 -0.062 25810 1859 1 4 . 1 1 48 48 LEU N N 48 117.884 117.884 118.089 -0.205 25810 1860 1 4 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.313 0.049 25810 1861 1 4 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.251 -0.713 25810 1862 1 4 . 1 1 48 48 LEU CB C 48 41.818 41.818 41.869 -0.051 25810 1863 1 4 . 1 1 48 48 LEU H H 48 7.485 7.485 7.716 -0.231 25810 1864 1 4 . 1 1 49 49 GLY N N 49 107.912 107.912 106.108 1.804 25810 1865 1 4 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.812 1.151 25810 1866 1 4 . 1 1 49 49 GLY H H 49 7.884 7.884 7.598 0.286 25810 1867 1 4 . 1 1 50 50 GLN N N 50 117.606 117.606 120.075 -2.469 25810 1868 1 4 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.409 0.092 25810 1869 1 4 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.777 -1.385 25810 1870 1 4 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.308 0.465 25810 1871 1 4 . 1 1 50 50 GLN H H 50 8.096 8.096 8.379 -0.283 25810 1872 1 4 . 1 1 51 51 ASN N N 51 116.663 116.663 121.188 -4.525 25810 1873 1 4 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.107 0.015 25810 1874 1 4 . 1 1 51 51 ASN CA C 51 51.230 51.230 51.240 -0.010 25810 1875 1 4 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.482 -0.336 25810 1876 1 4 . 1 1 51 51 ASN H H 51 8.693 8.693 8.657 0.036 25810 1877 1 4 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.545 0.144 25810 1878 1 4 . 1 1 53 53 THR N N 53 113.865 113.865 111.909 1.956 25810 1879 1 4 . 1 1 53 53 THR H H 53 8.985 8.985 8.056 0.929 25810 1880 1 4 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.142 0.044 25810 1881 1 4 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.890 0.372 25810 1882 1 4 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.635 0.255 25810 1883 1 4 . 1 1 55 55 GLU N N 55 117.475 117.475 116.535 0.940 25810 1884 1 4 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.034 0.010 25810 1885 1 4 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.498 1.117 25810 1886 1 4 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.561 0.174 25810 1887 1 4 . 1 1 55 55 GLU H H 55 8.785 8.785 8.996 -0.211 25810 1888 1 4 . 1 1 56 56 GLU N N 56 121.699 121.699 120.563 1.136 25810 1889 1 4 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.076 -0.052 25810 1890 1 4 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.782 0.473 25810 1891 1 4 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.493 0.603 25810 1892 1 4 . 1 1 56 56 GLU H H 56 7.815 7.815 7.604 0.211 25810 1893 1 4 . 1 1 57 57 LEU N N 57 118.421 118.421 120.136 -1.715 25810 1894 1 4 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.052 -0.039 25810 1895 1 4 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.979 -1.417 25810 1896 1 4 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.803 0.929 25810 1897 1 4 . 1 1 57 57 LEU H H 57 8.246 8.246 7.980 0.266 25810 1898 1 4 . 1 1 58 58 GLN N N 58 118.349 118.349 119.136 -0.787 25810 1899 1 4 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.882 -0.185 25810 1900 1 4 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.413 -1.076 25810 1901 1 4 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.611 -0.043 25810 1902 1 4 . 1 1 58 58 GLN H H 58 8.003 8.003 8.320 -0.317 25810 1903 1 4 . 1 1 59 59 GLU N N 59 119.049 119.049 120.487 -1.438 25810 1904 1 4 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.076 0.021 25810 1905 1 4 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.059 0.582 25810 1906 1 4 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.352 0.270 25810 1907 1 4 . 1 1 59 59 GLU H H 59 7.979 7.979 8.003 -0.024 25810 1908 1 4 . 1 1 60 60 MET N N 60 117.492 117.492 118.916 -1.424 25810 1909 1 4 . 1 1 60 60 MET HA H 60 4.083 4.083 4.122 -0.039 25810 1910 1 4 . 1 1 60 60 MET CA C 60 59.764 59.764 59.827 -0.063 25810 1911 1 4 . 1 1 60 60 MET CB C 60 34.533 34.533 32.936 1.597 25810 1912 1 4 . 1 1 60 60 MET H H 60 7.776 7.776 8.159 -0.383 25810 1913 1 4 . 1 1 61 61 ILE N N 61 118.035 118.035 120.292 -2.257 25810 1914 1 4 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.574 0.143 25810 1915 1 4 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.470 -2.357 25810 1916 1 4 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.574 -1.284 25810 1917 1 4 . 1 1 61 61 ILE H H 61 7.564 7.564 8.150 -0.586 25810 1918 1 4 . 1 1 62 62 ASP N N 62 119.355 119.355 119.970 -0.615 25810 1919 1 4 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.326 0.021 25810 1920 1 4 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.601 0.075 25810 1921 1 4 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.776 -0.424 25810 1922 1 4 . 1 1 62 62 ASP H H 62 8.801 8.801 8.014 0.787 25810 1923 1 4 . 1 1 63 63 GLU N N 63 116.439 116.439 119.065 -2.626 25810 1924 1 4 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.045 0.018 25810 1925 1 4 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.973 -0.152 25810 1926 1 4 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.962 0.162 25810 1927 1 4 . 1 1 63 63 GLU H H 63 7.702 7.702 7.734 -0.032 25810 1928 1 4 . 1 1 64 64 VAL N N 64 112.796 112.796 116.522 -3.726 25810 1929 1 4 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.858 0.336 25810 1930 1 4 . 1 1 64 64 VAL CA C 64 61.611 61.611 64.362 -2.751 25810 1931 1 4 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.183 0.481 25810 1932 1 4 . 1 1 64 64 VAL H H 64 7.151 7.151 7.474 -0.323 25810 1933 1 4 . 1 1 65 65 ASP N N 65 121.138 121.138 119.784 1.354 25810 1934 1 4 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.342 0.168 25810 1935 1 4 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.747 -2.182 25810 1936 1 4 . 1 1 65 65 ASP CB C 65 41.017 41.017 42.167 -1.150 25810 1937 1 4 . 1 1 65 65 ASP H H 65 7.866 7.866 8.125 -0.259 25810 1938 1 4 . 1 1 66 66 GLU N N 66 128.324 128.324 123.175 5.149 25810 1939 1 4 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.227 -0.033 25810 1940 1 4 . 1 1 66 66 GLU CA C 66 58.452 58.452 57.890 0.562 25810 1941 1 4 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.360 0.753 25810 1942 1 4 . 1 1 66 66 GLU H H 66 8.187 8.187 8.780 -0.593 25810 1943 1 4 . 1 1 67 67 ASP N N 67 114.662 114.662 114.930 -0.268 25810 1944 1 4 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.670 0.020 25810 1945 1 4 . 1 1 67 67 ASP CA C 67 52.760 52.760 52.726 0.034 25810 1946 1 4 . 1 1 67 67 ASP CB C 67 40.354 40.354 41.371 -1.017 25810 1947 1 4 . 1 1 67 67 ASP H H 67 8.111 8.111 8.130 -0.019 25810 1948 1 4 . 1 1 68 68 GLY N N 68 109.084 109.084 108.470 0.614 25810 1949 1 4 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.254 0.882 25810 1950 1 4 . 1 1 68 68 GLY H H 68 7.771 7.771 7.829 -0.058 25810 1951 1 4 . 1 1 69 69 SER N N 69 117.283 117.283 116.318 0.965 25810 1952 1 4 . 1 1 69 69 SER HA H 69 4.217 4.217 4.262 -0.045 25810 1953 1 4 . 1 1 69 69 SER CA C 69 60.270 60.270 59.918 0.352 25810 1954 1 4 . 1 1 69 69 SER CB C 69 64.648 64.648 64.190 0.458 25810 1955 1 4 . 1 1 69 69 SER H H 69 8.632 8.632 8.885 -0.253 25810 1956 1 4 . 1 1 70 70 GLY N N 70 116.242 116.242 111.848 4.394 25810 1957 1 4 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.392 0.096 25810 1958 1 4 . 1 1 70 70 GLY H H 70 10.710 10.710 9.200 1.510 25810 1959 1 4 . 1 1 71 71 THR N N 71 106.843 106.843 116.537 -9.694 25810 1960 1 4 . 1 1 71 71 THR HA H 71 4.941 4.941 4.672 0.269 25810 1961 1 4 . 1 1 71 71 THR CA C 71 58.422 58.422 61.619 -3.197 25810 1962 1 4 . 1 1 71 71 THR CB C 71 73.822 73.822 72.340 1.482 25810 1963 1 4 . 1 1 71 71 THR H H 71 7.551 7.551 7.456 0.095 25810 1964 1 4 . 1 1 72 72 VAL N N 72 127.231 127.231 122.362 4.869 25810 1965 1 4 . 1 1 72 72 VAL HA H 72 5.074 5.074 5.022 0.052 25810 1966 1 4 . 1 1 72 72 VAL CA C 72 61.797 61.797 59.187 2.610 25810 1967 1 4 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.060 0.865 25810 1968 1 4 . 1 1 72 72 VAL H H 72 9.690 9.690 8.592 1.098 25810 1969 1 4 . 1 1 73 73 ASP N N 73 129.232 129.232 126.305 2.927 25810 1970 1 4 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.905 0.187 25810 1971 1 4 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.914 -1.533 25810 1972 1 4 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.910 -0.870 25810 1973 1 4 . 1 1 73 73 ASP H H 73 8.828 8.828 8.649 0.179 25810 1974 1 4 . 1 1 74 74 PHE N N 74 118.313 118.313 121.026 -2.713 25810 1975 1 4 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.120 -0.839 25810 1976 1 4 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.495 -1.126 25810 1977 1 4 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.035 -0.445 25810 1978 1 4 . 1 1 74 74 PHE H H 74 8.496 8.496 8.742 -0.246 25810 1979 1 4 . 1 1 75 75 ASP N N 75 117.592 117.592 118.859 -1.267 25810 1980 1 4 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.517 -0.593 25810 1981 1 4 . 1 1 75 75 ASP CA C 75 57.857 57.857 58.259 -0.402 25810 1982 1 4 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.776 0.208 25810 1983 1 4 . 1 1 75 75 ASP H H 75 7.708 7.708 8.865 -1.157 25810 1984 1 4 . 1 1 76 76 GLU N N 76 120.100 120.100 120.336 -0.236 25810 1985 1 4 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.219 -0.300 25810 1986 1 4 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.090 -0.680 25810 1987 1 4 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.572 0.655 25810 1988 1 4 . 1 1 76 76 GLU H H 76 8.267 8.267 8.527 -0.260 25810 1989 1 4 . 1 1 77 77 PHE N N 77 122.101 122.101 122.384 -0.283 25810 1990 1 4 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.174 -0.483 25810 1991 1 4 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.179 -0.263 25810 1992 1 4 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.341 0.729 25810 1993 1 4 . 1 1 77 77 PHE H H 77 8.760 8.760 8.818 -0.058 25810 1994 1 4 . 1 1 78 78 LEU N N 78 120.110 120.110 118.944 1.166 25810 1995 1 4 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.809 -0.582 25810 1996 1 4 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.080 0.035 25810 1997 1 4 . 1 1 78 78 LEU CB C 78 41.610 41.610 40.654 0.956 25810 1998 1 4 . 1 1 78 78 LEU H H 78 8.404 8.404 7.988 0.416 25810 1999 1 4 . 1 1 79 79 VAL N N 79 116.259 116.259 119.108 -2.849 25810 2000 1 4 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.394 -0.187 25810 2001 1 4 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.449 0.180 25810 2002 1 4 . 1 1 79 79 VAL CB C 79 31.437 31.437 30.978 0.459 25810 2003 1 4 . 1 1 79 79 VAL H H 79 7.132 7.132 7.428 -0.296 25810 2004 1 4 . 1 1 80 80 MET N N 80 118.429 118.429 117.491 0.938 25810 2005 1 4 . 1 1 80 80 MET HA H 80 3.810 3.810 3.890 -0.080 25810 2006 1 4 . 1 1 80 80 MET CA C 80 57.828 57.828 59.026 -1.198 25810 2007 1 4 . 1 1 80 80 MET CB C 80 31.114 31.114 32.294 -1.180 25810 2008 1 4 . 1 1 80 80 MET H H 80 7.191 7.191 7.877 -0.686 25810 2009 1 4 . 1 1 81 81 MET H H 81 8.104 8.104 7.332 0.772 25810 2010 1 4 . 1 1 86 86 LYS N N 86 118.058 118.058 122.186 -4.128 25810 2011 1 4 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.956 0.344 25810 2012 1 4 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.148 -1.750 25810 2013 1 4 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.496 0.350 25810 2014 1 4 . 1 1 86 86 LYS H H 86 7.750 7.750 8.415 -0.665 25810 2015 1 4 . 1 1 87 87 ASP N N 87 120.199 120.199 116.386 3.813 25810 2016 1 4 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.346 0.312 25810 2017 1 4 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.290 -2.173 25810 2018 1 4 . 1 1 87 87 ASP CB C 87 41.376 41.376 39.637 1.739 25810 2019 1 4 . 1 1 87 87 ASP H H 87 8.102 8.102 7.965 0.137 25810 2020 1 4 . 1 1 88 88 ASP N N 88 121.497 121.497 121.030 0.467 25810 2021 1 4 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.259 0.431 25810 2022 1 4 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.354 -2.688 25810 2023 1 4 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.669 0.488 25810 2024 1 4 . 1 1 88 88 ASP H H 88 8.363 8.363 8.303 0.060 25810 2025 1 4 . 1 1 89 89 SER N N 89 115.602 115.602 115.129 0.473 25810 2026 1 4 . 1 1 89 89 SER HA H 89 4.347 4.347 3.990 0.357 25810 2027 1 4 . 1 1 89 89 SER CA C 89 59.571 59.571 61.665 -2.094 25810 2028 1 4 . 1 1 89 89 SER CB C 89 63.999 63.999 63.201 0.798 25810 2029 1 4 . 1 1 89 89 SER H H 89 8.251 8.251 8.307 -0.056 25810 2030 1 4 . 1 1 90 90 GLU N N 90 121.265 121.265 121.197 0.068 25810 2031 1 4 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.055 0.175 25810 2032 1 4 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.645 -1.593 25810 2033 1 4 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.753 0.057 25810 2034 1 4 . 1 1 90 90 GLU H H 90 8.331 8.331 7.637 0.694 25810 2035 1 4 . 1 1 91 91 ASN N N 91 118.544 118.544 116.453 2.091 25810 2036 1 4 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.500 0.155 25810 2037 1 4 . 1 1 91 91 ASN CA C 91 53.461 53.461 54.993 -1.532 25810 2038 1 4 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.306 -0.098 25810 2039 1 4 . 1 1 91 91 ASN H H 91 8.131 8.131 7.841 0.290 25810 2040 1 4 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.655 -0.662 25810 2041 1 4 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.355 1.056 25810 2042 1 4 . 1 1 95 95 GLN CB C 95 29.282 29.282 31.611 -2.329 25810 2043 1 4 . 1 1 96 96 GLY N N 96 109.372 109.372 108.249 1.123 25810 2044 1 4 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.516 0.172 25810 2045 1 4 . 1 1 96 96 GLY H H 96 8.110 8.110 8.604 -0.494 25810 2046 1 4 . 1 1 97 97 ARG N N 97 120.154 120.154 118.096 2.058 25810 2047 1 4 . 1 1 97 97 ARG HA H 97 4.467 4.467 3.976 0.491 25810 2048 1 4 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.947 -1.381 25810 2049 1 4 . 1 1 97 97 ARG CB C 97 31.505 31.505 29.474 2.031 25810 2050 1 4 . 1 1 97 97 ARG H H 97 7.966 7.966 8.418 -0.452 25810 2051 1 4 . 1 1 99 99 VAL HA H 99 4.142 4.142 3.718 0.424 25810 2052 1 4 . 1 1 99 99 VAL CA C 99 62.039 62.039 64.043 -2.004 25810 2053 1 4 . 1 1 99 99 VAL CB C 99 30.875 30.875 31.816 -0.941 25810 2054 1 4 . 1 1 100 100 ARG N N 100 125.661 125.661 119.500 6.161 25810 2055 1 4 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.525 -0.024 25810 2056 1 4 . 1 1 100 100 ARG CA C 100 55.557 55.557 55.789 -0.232 25810 2057 1 4 . 1 1 100 100 ARG H H 100 8.379 8.379 8.342 0.037 25810 2058 1 4 . 1 1 102 102 SER HA H 102 4.356 4.356 4.528 -0.172 25810 2059 1 4 . 1 1 102 102 SER CA C 102 57.361 57.361 57.792 -0.431 25810 2060 1 4 . 1 1 102 102 SER CB C 102 65.237 65.237 64.337 0.900 25810 2061 1 4 . 1 1 103 103 ALA N N 103 125.468 125.468 124.090 1.378 25810 2062 1 4 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.057 -0.046 25810 2063 1 4 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.069 0.916 25810 2064 1 4 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.195 0.399 25810 2065 1 4 . 1 1 103 103 ALA H H 103 9.148 9.148 8.801 0.347 25810 2066 1 4 . 1 1 104 104 ASP N N 104 115.217 115.217 118.732 -3.515 25810 2067 1 4 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.353 -0.045 25810 2068 1 4 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.007 0.300 25810 2069 1 4 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.394 0.584 25810 2070 1 4 . 1 1 104 104 ASP H H 104 8.517 8.517 8.456 0.061 25810 2071 1 4 . 1 1 105 105 ALA N N 105 122.884 122.884 122.181 0.703 25810 2072 1 4 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.089 -0.009 25810 2073 1 4 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.684 0.420 25810 2074 1 4 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.618 -0.281 25810 2075 1 4 . 1 1 105 105 ALA H H 105 7.953 7.953 7.357 0.596 25810 2076 1 4 . 1 1 106 106 MET N N 106 118.710 118.710 119.338 -0.628 25810 2077 1 4 . 1 1 106 106 MET HA H 106 3.987 3.987 4.034 -0.047 25810 2078 1 4 . 1 1 106 106 MET CA C 106 59.704 59.704 58.900 0.804 25810 2079 1 4 . 1 1 106 106 MET CB C 106 33.450 33.450 32.663 0.787 25810 2080 1 4 . 1 1 106 106 MET H H 106 8.186 8.186 8.118 0.068 25810 2081 1 4 . 1 1 107 107 MET N N 107 116.864 116.864 118.968 -2.104 25810 2082 1 4 . 1 1 107 107 MET HA H 107 4.446 4.446 3.912 0.534 25810 2083 1 4 . 1 1 107 107 MET CA C 107 57.649 57.649 59.586 -1.937 25810 2084 1 4 . 1 1 107 107 MET CB C 107 31.359 31.359 32.297 -0.938 25810 2085 1 4 . 1 1 107 107 MET H H 107 8.483 8.483 8.186 0.297 25810 2086 1 4 . 1 1 108 108 GLN N N 108 117.959 117.959 117.852 0.107 25810 2087 1 4 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.983 0.026 25810 2088 1 4 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.733 0.253 25810 2089 1 4 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.608 -0.088 25810 2090 1 4 . 1 1 108 108 GLN H H 108 8.359 8.359 7.692 0.667 25810 2091 1 4 . 1 1 109 109 ALA N N 109 121.657 121.657 123.042 -1.385 25810 2092 1 4 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.022 0.117 25810 2093 1 4 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.988 -0.223 25810 2094 1 4 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.582 -0.143 25810 2095 1 4 . 1 1 109 109 ALA H H 109 7.855 7.855 8.034 -0.179 25810 2096 1 4 . 1 1 110 110 LEU N N 110 116.183 116.183 119.645 -3.462 25810 2097 1 4 . 1 1 110 110 LEU HA H 110 4.125 4.125 3.943 0.182 25810 2098 1 4 . 1 1 110 110 LEU CA C 110 57.432 57.432 58.099 -0.667 25810 2099 1 4 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.101 0.531 25810 2100 1 4 . 1 1 110 110 LEU H H 110 7.933 7.933 8.309 -0.376 25810 2101 1 4 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.959 -1.349 25810 2102 1 4 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.128 0.764 25810 2103 1 4 . 1 1 112 112 GLY N N 112 109.198 109.198 103.139 6.059 25810 2104 1 4 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.251 0.816 25810 2105 1 4 . 1 1 112 112 GLY H H 112 7.928 7.928 8.219 -0.291 25810 2106 1 4 . 1 1 113 113 ALA N N 113 124.374 124.374 123.863 0.511 25810 2107 1 4 . 1 1 113 113 ALA HA H 113 4.263 4.263 3.874 0.389 25810 2108 1 4 . 1 1 113 113 ALA CA C 113 53.404 53.404 54.007 -0.603 25810 2109 1 4 . 1 1 113 113 ALA CB C 113 18.713 18.713 17.290 1.423 25810 2110 1 4 . 1 1 113 113 ALA H H 113 8.211 8.211 7.994 0.217 25810 2111 1 4 . 1 1 114 114 ARG N N 114 117.947 117.947 120.876 -2.929 25810 2112 1 4 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.511 -0.264 25810 2113 1 4 . 1 1 114 114 ARG CA C 114 56.568 56.568 54.570 1.998 25810 2114 1 4 . 1 1 114 114 ARG CB C 114 30.389 30.389 31.375 -0.987 25810 2115 1 4 . 1 1 114 114 ARG H H 114 7.974 7.974 8.062 -0.088 25810 2116 1 4 . 1 1 115 115 ALA N N 115 123.079 123.079 123.860 -0.781 25810 2117 1 4 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.196 0.020 25810 2118 1 4 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.816 -0.033 25810 2119 1 4 . 1 1 115 115 ALA CB C 115 18.915 18.915 18.563 0.352 25810 2120 1 4 . 1 1 115 115 ALA H H 115 7.969 7.969 8.226 -0.257 25810 2121 1 4 . 1 1 116 116 LYS N N 116 120.562 120.562 123.901 -3.339 25810 2122 1 4 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.349 -0.110 25810 2123 1 4 . 1 1 116 116 LYS CA C 116 57.421 57.421 55.792 1.629 25810 2124 1 4 . 1 1 116 116 LYS CB C 116 33.373 33.373 34.315 -0.942 25810 2125 1 4 . 1 1 116 116 LYS H H 116 8.310 8.310 8.061 0.249 25810 2126 1 4 . 1 1 117 117 GLU N N 117 121.115 121.115 124.095 -2.980 25810 2127 1 4 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.638 -0.379 25810 2128 1 4 . 1 1 117 117 GLU CA C 117 57.347 57.347 55.327 2.020 25810 2129 1 4 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.549 0.488 25810 2130 1 4 . 1 1 117 117 GLU H H 117 8.646 8.646 8.675 -0.029 25810 2131 1 4 . 1 1 118 118 SER N N 118 115.616 115.616 119.369 -3.753 25810 2132 1 4 . 1 1 118 118 SER HA H 118 4.322 4.322 4.226 0.096 25810 2133 1 4 . 1 1 118 118 SER CA C 118 59.082 59.082 60.938 -1.857 25810 2134 1 4 . 1 1 118 118 SER CB C 118 63.624 63.624 63.402 0.222 25810 2135 1 4 . 1 1 118 118 SER H H 118 8.346 8.346 8.725 -0.379 25810 2136 1 4 . 1 1 119 119 LEU N N 119 122.984 122.984 119.658 3.326 25810 2137 1 4 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.228 0.080 25810 2138 1 4 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.367 -0.864 25810 2139 1 4 . 1 1 119 119 LEU CB C 119 42.261 42.261 41.829 0.432 25810 2140 1 4 . 1 1 119 119 LEU H H 119 7.970 7.970 7.801 0.169 25810 2141 1 4 . 1 1 120 120 ASP N N 120 120.516 120.516 119.440 1.076 25810 2142 1 4 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.650 -0.040 25810 2143 1 4 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.754 -0.302 25810 2144 1 4 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.319 -0.299 25810 2145 1 4 . 1 1 120 120 ASP H H 120 8.149 8.149 8.290 -0.141 25810 2146 1 4 . 1 1 121 121 LEU N N 121 122.598 122.598 123.714 -1.116 25810 2147 1 4 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.471 -0.196 25810 2148 1 4 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.346 1.675 25810 2149 1 4 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.873 -0.819 25810 2150 1 4 . 1 1 121 121 LEU H H 121 8.111 8.111 8.328 -0.217 25810 2151 1 4 . 1 1 122 122 ARG N N 122 119.425 119.425 123.671 -4.246 25810 2152 1 4 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.449 -0.202 25810 2153 1 4 . 1 1 122 122 ARG CA C 122 56.615 56.615 53.929 2.686 25810 2154 1 4 . 1 1 122 122 ARG CB C 122 30.436 30.436 31.006 -0.570 25810 2155 1 4 . 1 1 122 122 ARG H H 122 8.131 8.131 8.402 -0.271 25810 2156 1 4 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.363 0.781 25810 2157 1 4 . 1 1 123 123 ALA CB C 123 19.123 19.123 18.261 0.862 25810 2158 1 4 . 1 1 124 124 HIS N N 124 117.075 117.075 119.536 -2.461 25810 2159 1 4 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.023 0.074 25810 2160 1 4 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.417 0.008 25810 2161 1 4 . 1 1 124 124 HIS H H 124 8.185 8.185 7.956 0.229 25810 2162 1 4 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.497 -0.143 25810 2163 1 4 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.708 0.549 25810 2164 1 4 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.678 -0.377 25810 2165 1 5 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.646 -0.069 25810 2166 1 5 . 1 1 -7 -7 GLY N N -7 108.818 108.818 108.808 0.010 25810 2167 1 5 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.249 -0.065 25810 2168 1 5 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.147 0.183 25810 2169 1 5 . 1 1 0 0 ASP N N 0 115.716 115.716 115.830 -0.114 25810 2170 1 5 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.590 -0.102 25810 2171 1 5 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.016 0.667 25810 2172 1 5 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.712 0.284 25810 2173 1 5 . 1 1 0 0 ASP H H 0 8.155 8.155 8.517 -0.362 25810 2174 1 5 . 1 1 1 1 MET N N 1 121.815 121.815 119.035 2.780 25810 2175 1 5 . 1 1 1 1 MET HA H 1 4.450 4.450 4.066 0.384 25810 2176 1 5 . 1 1 1 1 MET CA C 1 55.996 55.996 56.163 -0.167 25810 2177 1 5 . 1 1 1 1 MET CB C 1 32.334 32.334 31.193 1.141 25810 2178 1 5 . 1 1 1 1 MET H H 1 8.553 8.553 8.123 0.430 25810 2179 1 5 . 1 1 2 2 ASP N N 2 119.828 119.828 120.143 -0.315 25810 2180 1 5 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.516 -0.035 25810 2181 1 5 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.641 -1.518 25810 2182 1 5 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.794 0.317 25810 2183 1 5 . 1 1 3 3 ASP N N 3 119.912 119.912 119.343 0.569 25810 2184 1 5 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.426 0.050 25810 2185 1 5 . 1 1 3 3 ASP CA C 3 56.220 56.220 57.266 -1.046 25810 2186 1 5 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.486 0.456 25810 2187 1 5 . 1 1 3 3 ASP H H 3 8.098 8.098 8.366 -0.268 25810 2188 1 5 . 1 1 4 4 ILE N N 4 120.617 120.617 119.259 1.358 25810 2189 1 5 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.614 0.233 25810 2190 1 5 . 1 1 4 4 ILE CA C 4 63.837 63.837 63.898 -0.061 25810 2191 1 5 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.472 0.316 25810 2192 1 5 . 1 1 4 4 ILE H H 4 7.897 7.897 7.834 0.063 25810 2193 1 5 . 1 1 5 5 TYR N N 5 121.116 121.116 118.553 2.563 25810 2194 1 5 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.049 0.259 25810 2195 1 5 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.968 -1.717 25810 2196 1 5 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.672 -0.083 25810 2197 1 5 . 1 1 5 5 TYR H H 5 7.961 7.961 7.580 0.381 25810 2198 1 5 . 1 1 6 6 LYS N N 6 120.005 120.005 120.237 -0.232 25810 2199 1 5 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.972 -0.049 25810 2200 1 5 . 1 1 6 6 LYS CA C 6 59.544 59.544 58.814 0.730 25810 2201 1 5 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.162 0.193 25810 2202 1 5 . 1 1 6 6 LYS H H 6 8.008 8.008 8.540 -0.532 25810 2203 1 5 . 1 1 7 7 ALA N N 7 120.589 120.589 121.754 -1.165 25810 2204 1 5 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.137 0.017 25810 2205 1 5 . 1 1 7 7 ALA CA C 7 54.517 54.517 55.039 -0.522 25810 2206 1 5 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.250 -0.164 25810 2207 1 5 . 1 1 7 7 ALA H H 7 7.816 7.816 8.537 -0.721 25810 2208 1 5 . 1 1 8 8 ALA N N 8 120.065 120.065 121.005 -0.940 25810 2209 1 5 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.900 0.254 25810 2210 1 5 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.029 -0.331 25810 2211 1 5 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.458 0.025 25810 2212 1 5 . 1 1 8 8 ALA H H 8 7.622 7.622 7.895 -0.273 25810 2213 1 5 . 1 1 9 9 VAL N N 9 118.101 118.101 118.889 -0.788 25810 2214 1 5 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.905 -0.346 25810 2215 1 5 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.857 -0.823 25810 2216 1 5 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.433 0.249 25810 2217 1 5 . 1 1 9 9 VAL H H 9 7.974 7.974 7.944 0.030 25810 2218 1 5 . 1 1 10 10 GLU N N 10 118.217 118.217 119.288 -1.071 25810 2219 1 5 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.048 0.079 25810 2220 1 5 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.996 -0.727 25810 2221 1 5 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.884 -0.320 25810 2222 1 5 . 1 1 10 10 GLU H H 10 7.682 7.682 8.186 -0.504 25810 2223 1 5 . 1 1 11 11 GLN N N 11 114.903 114.903 115.530 -0.627 25810 2224 1 5 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.277 0.046 25810 2225 1 5 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.195 -1.543 25810 2226 1 5 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.475 -1.028 25810 2227 1 5 . 1 1 11 11 GLN H H 11 7.404 7.404 8.137 -0.733 25810 2228 1 5 . 1 1 12 12 LEU N N 12 120.467 120.467 118.757 1.710 25810 2229 1 5 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.649 -0.067 25810 2230 1 5 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.081 1.916 25810 2231 1 5 . 1 1 12 12 LEU CB C 12 43.566 43.566 44.245 -0.679 25810 2232 1 5 . 1 1 12 12 LEU H H 12 7.354 7.354 8.197 -0.843 25810 2233 1 5 . 1 1 13 13 THR N N 13 113.431 113.431 109.499 3.932 25810 2234 1 5 . 1 1 13 13 THR HA H 13 4.462 4.462 4.565 -0.103 25810 2235 1 5 . 1 1 13 13 THR CA C 13 60.759 60.759 59.556 1.203 25810 2236 1 5 . 1 1 13 13 THR CB C 13 71.101 71.101 71.407 -0.307 25810 2237 1 5 . 1 1 13 13 THR H H 13 8.844 8.844 8.102 0.742 25810 2238 1 5 . 1 1 14 14 GLU N N 14 121.790 121.790 121.490 0.300 25810 2239 1 5 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.967 -0.004 25810 2240 1 5 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.547 -0.673 25810 2241 1 5 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.093 0.225 25810 2242 1 5 . 1 1 14 14 GLU H H 14 9.013 9.013 8.984 0.029 25810 2243 1 5 . 1 1 15 15 GLU N N 15 117.495 117.495 118.376 -0.881 25810 2244 1 5 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.052 0.008 25810 2245 1 5 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.680 0.652 25810 2246 1 5 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.069 0.107 25810 2247 1 5 . 1 1 15 15 GLU H H 15 8.653 8.653 8.638 0.015 25810 2248 1 5 . 1 1 16 16 GLN N N 16 119.205 119.205 118.107 1.098 25810 2249 1 5 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.137 -0.280 25810 2250 1 5 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.261 0.687 25810 2251 1 5 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.361 1.370 25810 2252 1 5 . 1 1 16 16 GLN H H 16 7.839 7.839 7.555 0.284 25810 2253 1 5 . 1 1 17 17 LYS N N 17 119.027 119.027 120.866 -1.839 25810 2254 1 5 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.001 0.023 25810 2255 1 5 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.782 1.907 25810 2256 1 5 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.378 -0.322 25810 2257 1 5 . 1 1 17 17 LYS H H 17 8.539 8.539 7.903 0.636 25810 2258 1 5 . 1 1 18 18 ASN N N 18 117.428 117.428 117.948 -0.520 25810 2259 1 5 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.507 0.055 25810 2260 1 5 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.148 0.025 25810 2261 1 5 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.260 -0.456 25810 2262 1 5 . 1 1 18 18 ASN H H 18 8.552 8.552 8.342 0.210 25810 2263 1 5 . 1 1 19 19 GLU N N 19 123.611 123.611 120.095 3.516 25810 2264 1 5 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.041 0.164 25810 2265 1 5 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.362 0.436 25810 2266 1 5 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.337 0.069 25810 2267 1 5 . 1 1 19 19 GLU H H 19 8.012 8.012 8.084 -0.072 25810 2268 1 5 . 1 1 20 20 PHE N N 20 117.357 117.357 121.453 -4.096 25810 2269 1 5 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.205 0.649 25810 2270 1 5 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.549 -0.816 25810 2271 1 5 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.216 -0.894 25810 2272 1 5 . 1 1 20 20 PHE H H 20 8.320 8.320 8.368 -0.048 25810 2273 1 5 . 1 1 21 21 LYS N N 21 122.064 122.064 119.234 2.830 25810 2274 1 5 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.833 0.192 25810 2275 1 5 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.118 -0.444 25810 2276 1 5 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.824 -0.140 25810 2277 1 5 . 1 1 21 21 LYS H H 21 8.864 8.864 7.917 0.947 25810 2278 1 5 . 1 1 22 22 ALA N N 22 121.827 121.827 121.170 0.657 25810 2279 1 5 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.148 0.065 25810 2280 1 5 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.107 -0.376 25810 2281 1 5 . 1 1 22 22 ALA H H 22 8.009 8.009 7.698 0.311 25810 2282 1 5 . 1 1 23 23 ALA N N 23 119.945 119.945 121.727 -1.782 25810 2283 1 5 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.043 0.086 25810 2284 1 5 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.468 0.871 25810 2285 1 5 . 1 1 23 23 ALA CB C 23 18.986 18.986 17.938 1.048 25810 2286 1 5 . 1 1 23 23 ALA H H 23 8.178 8.178 7.877 0.301 25810 2287 1 5 . 1 1 24 24 PHE N N 24 121.275 121.275 119.216 2.059 25810 2288 1 5 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.929 -0.391 25810 2289 1 5 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.017 1.397 25810 2290 1 5 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.033 0.708 25810 2291 1 5 . 1 1 24 24 PHE H H 24 8.925 8.925 7.756 1.169 25810 2292 1 5 . 1 1 25 25 ASP N N 25 117.407 117.407 118.724 -1.317 25810 2293 1 5 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.217 0.047 25810 2294 1 5 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.039 -0.025 25810 2295 1 5 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.750 -0.853 25810 2296 1 5 . 1 1 25 25 ASP H H 25 8.714 8.714 7.864 0.851 25810 2297 1 5 . 1 1 26 26 ILE N N 26 119.320 119.320 119.038 0.282 25810 2298 1 5 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.682 0.135 25810 2299 1 5 . 1 1 26 26 ILE CA C 26 63.414 63.414 63.249 0.165 25810 2300 1 5 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.161 0.281 25810 2301 1 5 . 1 1 26 26 ILE H H 26 7.337 7.337 7.477 -0.140 25810 2302 1 5 . 1 1 27 27 PHE N N 27 123.734 123.734 119.645 4.089 25810 2303 1 5 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.426 -0.850 25810 2304 1 5 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.486 2.132 25810 2305 1 5 . 1 1 27 27 PHE H H 27 8.139 8.139 7.810 0.329 25810 2306 1 5 . 1 1 28 28 VAL N N 28 105.007 105.007 117.012 -12.005 25810 2307 1 5 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.643 0.440 25810 2308 1 5 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.642 -2.486 25810 2309 1 5 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.290 0.102 25810 2310 1 5 . 1 1 28 28 VAL H H 28 7.505 7.505 7.549 -0.044 25810 2311 1 5 . 1 1 29 29 LEU N N 29 126.175 126.175 121.576 4.599 25810 2312 1 5 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.075 0.020 25810 2313 1 5 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.709 0.787 25810 2314 1 5 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.987 -0.412 25810 2315 1 5 . 1 1 29 29 LEU H H 29 7.274 7.274 7.241 0.033 25810 2316 1 5 . 1 1 30 30 GLY N N 30 113.173 113.173 111.549 1.624 25810 2317 1 5 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.004 0.536 25810 2318 1 5 . 1 1 30 30 GLY H H 30 8.950 8.950 8.290 0.660 25810 2319 1 5 . 1 1 31 31 ALA N N 31 124.109 124.109 124.371 -0.262 25810 2320 1 5 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.344 0.113 25810 2321 1 5 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.919 0.310 25810 2322 1 5 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.221 0.701 25810 2323 1 5 . 1 1 31 31 ALA H H 31 8.131 8.131 7.616 0.515 25810 2324 1 5 . 1 1 32 32 GLU N N 32 124.956 124.956 123.973 0.983 25810 2325 1 5 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.051 0.049 25810 2326 1 5 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.916 0.177 25810 2327 1 5 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.661 0.225 25810 2328 1 5 . 1 1 32 32 GLU H H 32 9.204 9.204 9.019 0.185 25810 2329 1 5 . 1 1 33 33 ASP N N 33 115.544 115.544 115.450 0.094 25810 2330 1 5 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.649 0.116 25810 2331 1 5 . 1 1 33 33 ASP CA C 33 53.071 53.071 53.853 -0.782 25810 2332 1 5 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.731 0.652 25810 2333 1 5 . 1 1 33 33 ASP H H 33 8.156 8.156 8.409 -0.253 25810 2334 1 5 . 1 1 34 34 GLY N N 34 105.580 105.580 108.471 -2.891 25810 2335 1 5 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.605 1.134 25810 2336 1 5 . 1 1 34 34 GLY H H 34 7.582 7.582 7.598 -0.016 25810 2337 1 5 . 1 1 35 35 SER N N 35 113.292 113.292 115.171 -1.879 25810 2338 1 5 . 1 1 35 35 SER HA H 35 4.960 4.960 4.867 0.093 25810 2339 1 5 . 1 1 35 35 SER CA C 35 57.390 57.390 56.983 0.407 25810 2340 1 5 . 1 1 35 35 SER CB C 35 66.240 66.240 66.502 -0.262 25810 2341 1 5 . 1 1 35 35 SER H H 35 7.584 7.584 7.662 -0.077 25810 2342 1 5 . 1 1 36 36 ILE N N 36 119.513 119.513 122.674 -3.161 25810 2343 1 5 . 1 1 36 36 ILE HA H 36 3.763 3.763 3.983 -0.220 25810 2344 1 5 . 1 1 36 36 ILE CA C 36 63.288 63.288 63.301 -0.013 25810 2345 1 5 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.865 1.740 25810 2346 1 5 . 1 1 36 36 ILE H H 36 9.028 9.028 9.008 0.020 25810 2347 1 5 . 1 1 37 37 SER N N 37 126.146 126.146 121.314 4.832 25810 2348 1 5 . 1 1 37 37 SER HA H 37 5.198 5.198 4.825 0.373 25810 2349 1 5 . 1 1 37 37 SER CA C 37 57.010 57.010 57.276 -0.266 25810 2350 1 5 . 1 1 37 37 SER CB C 37 67.563 67.563 66.075 1.488 25810 2351 1 5 . 1 1 37 37 SER H H 37 9.571 9.571 8.071 1.500 25810 2352 1 5 . 1 1 38 38 THR N N 38 111.059 111.059 118.699 -7.640 25810 2353 1 5 . 1 1 38 38 THR HA H 38 4.514 4.514 4.066 0.448 25810 2354 1 5 . 1 1 38 38 THR CA C 38 66.653 66.653 67.796 -1.143 25810 2355 1 5 . 1 1 38 38 THR CB C 38 68.362 68.362 68.728 -0.366 25810 2356 1 5 . 1 1 38 38 THR H H 38 8.794 8.794 8.761 0.033 25810 2357 1 5 . 1 1 39 39 LYS N N 39 123.369 123.369 120.505 2.864 25810 2358 1 5 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.060 -0.004 25810 2359 1 5 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.639 0.127 25810 2360 1 5 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.257 -0.054 25810 2361 1 5 . 1 1 39 39 LYS H H 39 8.044 8.044 8.232 -0.188 25810 2362 1 5 . 1 1 40 40 GLU N N 40 119.970 119.970 119.093 0.877 25810 2363 1 5 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.133 0.041 25810 2364 1 5 . 1 1 40 40 GLU CA C 40 61.272 61.272 58.766 2.506 25810 2365 1 5 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.181 1.010 25810 2366 1 5 . 1 1 40 40 GLU H H 40 7.714 7.714 8.244 -0.530 25810 2367 1 5 . 1 1 41 41 LEU N N 41 119.088 119.088 121.171 -2.083 25810 2368 1 5 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.231 0.018 25810 2369 1 5 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.470 0.401 25810 2370 1 5 . 1 1 41 41 LEU CB C 41 42.236 42.236 42.070 0.166 25810 2371 1 5 . 1 1 41 41 LEU H H 41 8.375 8.375 8.705 -0.330 25810 2372 1 5 . 1 1 42 42 GLY N N 42 106.311 106.311 106.479 -0.168 25810 2373 1 5 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.208 1.023 25810 2374 1 5 . 1 1 42 42 GLY H H 42 8.581 8.581 8.470 0.111 25810 2375 1 5 . 1 1 43 43 LYS N N 43 120.717 120.717 121.843 -1.126 25810 2376 1 5 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.082 -0.111 25810 2377 1 5 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.404 0.636 25810 2378 1 5 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.455 -0.062 25810 2379 1 5 . 1 1 43 43 LYS H H 43 7.293 7.293 7.581 -0.288 25810 2380 1 5 . 1 1 44 44 VAL N N 44 119.884 119.884 119.339 0.545 25810 2381 1 5 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.785 -0.144 25810 2382 1 5 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.400 0.044 25810 2383 1 5 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.852 0.204 25810 2384 1 5 . 1 1 44 44 VAL H H 44 7.560 7.560 7.462 0.098 25810 2385 1 5 . 1 1 45 45 MET N N 45 117.256 117.256 118.122 -0.866 25810 2386 1 5 . 1 1 45 45 MET HA H 45 4.179 4.179 4.162 0.017 25810 2387 1 5 . 1 1 45 45 MET CA C 45 57.934 57.934 57.980 -0.046 25810 2388 1 5 . 1 1 45 45 MET CB C 45 31.407 31.407 31.472 -0.065 25810 2389 1 5 . 1 1 45 45 MET H H 45 8.575 8.575 7.709 0.866 25810 2390 1 5 . 1 1 46 46 ARG N N 46 118.652 118.652 119.444 -0.792 25810 2391 1 5 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.216 0.378 25810 2392 1 5 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.257 0.166 25810 2393 1 5 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.044 -0.184 25810 2394 1 5 . 1 1 46 46 ARG H H 46 8.080 8.080 8.140 -0.060 25810 2395 1 5 . 1 1 47 47 MET N N 47 122.632 122.632 121.017 1.615 25810 2396 1 5 . 1 1 47 47 MET HA H 47 4.179 4.179 4.218 -0.039 25810 2397 1 5 . 1 1 47 47 MET CA C 47 59.178 59.178 58.728 0.450 25810 2398 1 5 . 1 1 47 47 MET CB C 47 32.669 32.669 32.679 -0.010 25810 2399 1 5 . 1 1 47 47 MET H H 47 7.864 7.864 7.707 0.157 25810 2400 1 5 . 1 1 48 48 LEU N N 48 117.884 117.884 115.283 2.601 25810 2401 1 5 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.259 0.103 25810 2402 1 5 . 1 1 48 48 LEU CA C 48 54.538 54.538 54.924 -0.386 25810 2403 1 5 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.003 -0.185 25810 2404 1 5 . 1 1 48 48 LEU H H 48 7.485 7.485 7.578 -0.093 25810 2405 1 5 . 1 1 49 49 GLY N N 49 107.912 107.912 105.365 2.547 25810 2406 1 5 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.972 0.991 25810 2407 1 5 . 1 1 49 49 GLY H H 49 7.884 7.884 7.708 0.176 25810 2408 1 5 . 1 1 50 50 GLN N N 50 117.606 117.606 120.104 -2.498 25810 2409 1 5 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.429 0.072 25810 2410 1 5 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.523 -1.131 25810 2411 1 5 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.634 0.139 25810 2412 1 5 . 1 1 50 50 GLN H H 50 8.096 8.096 8.354 -0.258 25810 2413 1 5 . 1 1 51 51 ASN N N 51 116.663 116.663 121.203 -4.540 25810 2414 1 5 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.083 0.039 25810 2415 1 5 . 1 1 51 51 ASN CA C 51 51.230 51.230 51.426 -0.196 25810 2416 1 5 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.072 0.074 25810 2417 1 5 . 1 1 51 51 ASN H H 51 8.693 8.693 8.643 0.050 25810 2418 1 5 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.605 0.084 25810 2419 1 5 . 1 1 53 53 THR N N 53 113.865 113.865 113.250 0.615 25810 2420 1 5 . 1 1 53 53 THR H H 53 8.985 8.985 8.256 0.729 25810 2421 1 5 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.279 -0.093 25810 2422 1 5 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.348 0.914 25810 2423 1 5 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.968 -0.078 25810 2424 1 5 . 1 1 55 55 GLU N N 55 117.475 117.475 118.747 -1.272 25810 2425 1 5 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.089 -0.045 25810 2426 1 5 . 1 1 55 55 GLU CA C 55 60.615 60.615 60.293 0.322 25810 2427 1 5 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.922 -0.187 25810 2428 1 5 . 1 1 55 55 GLU H H 55 8.785 8.785 8.986 -0.201 25810 2429 1 5 . 1 1 56 56 GLU N N 56 121.699 121.699 120.543 1.156 25810 2430 1 5 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.101 -0.077 25810 2431 1 5 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.958 0.298 25810 2432 1 5 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.758 0.338 25810 2433 1 5 . 1 1 56 56 GLU H H 56 7.815 7.815 7.575 0.240 25810 2434 1 5 . 1 1 57 57 LEU N N 57 118.421 118.421 120.392 -1.971 25810 2435 1 5 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.978 0.035 25810 2436 1 5 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.065 -1.503 25810 2437 1 5 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.739 0.993 25810 2438 1 5 . 1 1 57 57 LEU H H 57 8.246 8.246 7.656 0.590 25810 2439 1 5 . 1 1 58 58 GLN N N 58 118.349 118.349 119.717 -1.368 25810 2440 1 5 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.998 -0.301 25810 2441 1 5 . 1 1 58 58 GLN CA C 58 58.337 58.337 58.845 -0.508 25810 2442 1 5 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.336 0.232 25810 2443 1 5 . 1 1 58 58 GLN H H 58 8.003 8.003 8.358 -0.355 25810 2444 1 5 . 1 1 59 59 GLU N N 59 119.049 119.049 120.326 -1.277 25810 2445 1 5 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.040 0.057 25810 2446 1 5 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.468 0.173 25810 2447 1 5 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.501 0.120 25810 2448 1 5 . 1 1 59 59 GLU H H 59 7.979 7.979 7.752 0.227 25810 2449 1 5 . 1 1 60 60 MET N N 60 117.492 117.492 117.999 -0.507 25810 2450 1 5 . 1 1 60 60 MET HA H 60 4.083 4.083 4.234 -0.151 25810 2451 1 5 . 1 1 60 60 MET CA C 60 59.764 59.764 57.579 2.185 25810 2452 1 5 . 1 1 60 60 MET CB C 60 34.533 34.533 32.050 2.483 25810 2453 1 5 . 1 1 60 60 MET H H 60 7.776 7.776 7.889 -0.113 25810 2454 1 5 . 1 1 61 61 ILE N N 61 118.035 118.035 120.959 -2.924 25810 2455 1 5 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.691 0.026 25810 2456 1 5 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.222 -2.110 25810 2457 1 5 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.727 -1.437 25810 2458 1 5 . 1 1 61 61 ILE H H 61 7.564 7.564 8.111 -0.547 25810 2459 1 5 . 1 1 62 62 ASP N N 62 119.355 119.355 120.392 -1.037 25810 2460 1 5 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.491 -0.144 25810 2461 1 5 . 1 1 62 62 ASP CA C 62 57.676 57.676 56.946 0.730 25810 2462 1 5 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.686 -0.334 25810 2463 1 5 . 1 1 62 62 ASP H H 62 8.801 8.801 7.791 1.010 25810 2464 1 5 . 1 1 63 63 GLU N N 63 116.439 116.439 119.365 -2.926 25810 2465 1 5 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.113 -0.050 25810 2466 1 5 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.588 0.233 25810 2467 1 5 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.980 0.144 25810 2468 1 5 . 1 1 63 63 GLU H H 63 7.702 7.702 7.607 0.095 25810 2469 1 5 . 1 1 64 64 VAL N N 64 112.796 112.796 117.943 -5.147 25810 2470 1 5 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.783 0.411 25810 2471 1 5 . 1 1 64 64 VAL CA C 64 61.611 61.611 64.283 -2.672 25810 2472 1 5 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.319 0.345 25810 2473 1 5 . 1 1 64 64 VAL H H 64 7.151 7.151 8.075 -0.924 25810 2474 1 5 . 1 1 65 65 ASP N N 65 121.138 121.138 118.187 2.951 25810 2475 1 5 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.462 0.048 25810 2476 1 5 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.383 -1.818 25810 2477 1 5 . 1 1 65 65 ASP CB C 65 41.017 41.017 40.203 0.814 25810 2478 1 5 . 1 1 65 65 ASP H H 65 7.866 7.866 7.622 0.244 25810 2479 1 5 . 1 1 66 66 GLU N N 66 128.324 128.324 125.977 2.347 25810 2480 1 5 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.038 0.156 25810 2481 1 5 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.720 -0.268 25810 2482 1 5 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.171 0.942 25810 2483 1 5 . 1 1 66 66 GLU H H 66 8.187 8.187 8.375 -0.188 25810 2484 1 5 . 1 1 67 67 ASP N N 67 114.662 114.662 116.249 -1.587 25810 2485 1 5 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.609 0.081 25810 2486 1 5 . 1 1 67 67 ASP CA C 67 52.760 52.760 52.950 -0.191 25810 2487 1 5 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.841 -0.487 25810 2488 1 5 . 1 1 67 67 ASP H H 67 8.111 8.111 7.766 0.345 25810 2489 1 5 . 1 1 68 68 GLY N N 68 109.084 109.084 108.111 0.973 25810 2490 1 5 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.896 1.240 25810 2491 1 5 . 1 1 68 68 GLY H H 68 7.771 7.771 7.928 -0.157 25810 2492 1 5 . 1 1 69 69 SER N N 69 117.283 117.283 115.334 1.949 25810 2493 1 5 . 1 1 69 69 SER HA H 69 4.217 4.217 4.238 -0.021 25810 2494 1 5 . 1 1 69 69 SER CA C 69 60.270 60.270 60.089 0.181 25810 2495 1 5 . 1 1 69 69 SER CB C 69 64.648 64.648 63.677 0.971 25810 2496 1 5 . 1 1 69 69 SER H H 69 8.632 8.632 8.800 -0.168 25810 2497 1 5 . 1 1 70 70 GLY N N 70 116.242 116.242 110.266 5.976 25810 2498 1 5 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.477 0.011 25810 2499 1 5 . 1 1 70 70 GLY H H 70 10.710 10.710 8.780 1.930 25810 2500 1 5 . 1 1 71 71 THR N N 71 106.843 106.843 111.471 -4.628 25810 2501 1 5 . 1 1 71 71 THR HA H 71 4.941 4.941 4.580 0.361 25810 2502 1 5 . 1 1 71 71 THR CA C 71 58.422 58.422 60.078 -1.656 25810 2503 1 5 . 1 1 71 71 THR CB C 71 73.822 73.822 72.573 1.249 25810 2504 1 5 . 1 1 71 71 THR H H 71 7.551 7.551 7.458 0.093 25810 2505 1 5 . 1 1 72 72 VAL N N 72 127.231 127.231 123.065 4.166 25810 2506 1 5 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.762 0.312 25810 2507 1 5 . 1 1 72 72 VAL CA C 72 61.797 61.797 60.525 1.272 25810 2508 1 5 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.274 0.651 25810 2509 1 5 . 1 1 72 72 VAL H H 72 9.690 9.690 8.248 1.442 25810 2510 1 5 . 1 1 73 73 ASP N N 73 129.232 129.232 128.201 1.031 25810 2511 1 5 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.200 0.892 25810 2512 1 5 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.655 -1.274 25810 2513 1 5 . 1 1 73 73 ASP CB C 73 42.040 42.040 43.083 -1.043 25810 2514 1 5 . 1 1 73 73 ASP H H 73 8.828 8.828 8.545 0.283 25810 2515 1 5 . 1 1 74 74 PHE N N 74 118.313 118.313 119.601 -1.288 25810 2516 1 5 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.234 -0.953 25810 2517 1 5 . 1 1 74 74 PHE CA C 74 61.369 61.369 60.783 0.585 25810 2518 1 5 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.217 0.373 25810 2519 1 5 . 1 1 74 74 PHE H H 74 8.496 8.496 6.692 1.804 25810 2520 1 5 . 1 1 75 75 ASP N N 75 117.592 117.592 118.983 -1.391 25810 2521 1 5 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.421 -0.497 25810 2522 1 5 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.799 0.058 25810 2523 1 5 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.947 0.037 25810 2524 1 5 . 1 1 75 75 ASP H H 75 7.708 7.708 8.913 -1.205 25810 2525 1 5 . 1 1 76 76 GLU N N 76 120.100 120.100 120.619 -0.519 25810 2526 1 5 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.005 -0.086 25810 2527 1 5 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.180 -0.770 25810 2528 1 5 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.625 0.602 25810 2529 1 5 . 1 1 76 76 GLU H H 76 8.267 8.267 8.034 0.233 25810 2530 1 5 . 1 1 77 77 PHE N N 77 122.101 122.101 121.097 1.004 25810 2531 1 5 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.173 -0.482 25810 2532 1 5 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.529 -0.613 25810 2533 1 5 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.480 0.590 25810 2534 1 5 . 1 1 77 77 PHE H H 77 8.760 8.760 8.673 0.087 25810 2535 1 5 . 1 1 78 78 LEU N N 78 120.110 120.110 119.902 0.208 25810 2536 1 5 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.859 -0.632 25810 2537 1 5 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.474 -0.359 25810 2538 1 5 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.840 -0.230 25810 2539 1 5 . 1 1 78 78 LEU H H 78 8.404 8.404 8.564 -0.160 25810 2540 1 5 . 1 1 79 79 VAL N N 79 116.259 116.259 119.750 -3.491 25810 2541 1 5 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.460 -0.253 25810 2542 1 5 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.817 -0.188 25810 2543 1 5 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.074 0.363 25810 2544 1 5 . 1 1 79 79 VAL H H 79 7.132 7.132 7.907 -0.775 25810 2545 1 5 . 1 1 80 80 MET N N 80 118.429 118.429 117.426 1.003 25810 2546 1 5 . 1 1 80 80 MET HA H 80 3.810 3.810 4.008 -0.198 25810 2547 1 5 . 1 1 80 80 MET CA C 80 57.828 57.828 57.620 0.208 25810 2548 1 5 . 1 1 80 80 MET CB C 80 31.114 31.114 31.621 -0.507 25810 2549 1 5 . 1 1 80 80 MET H H 80 7.191 7.191 7.616 -0.425 25810 2550 1 5 . 1 1 81 81 MET H H 81 8.104 8.104 7.511 0.593 25810 2551 1 5 . 1 1 86 86 LYS N N 86 118.058 118.058 121.942 -3.884 25810 2552 1 5 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.040 0.260 25810 2553 1 5 . 1 1 86 86 LYS CA C 86 57.398 57.398 58.954 -1.556 25810 2554 1 5 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.534 0.312 25810 2555 1 5 . 1 1 86 86 LYS H H 86 7.750 7.750 8.188 -0.438 25810 2556 1 5 . 1 1 87 87 ASP N N 87 120.199 120.199 118.098 2.101 25810 2557 1 5 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.379 0.279 25810 2558 1 5 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.018 -1.901 25810 2559 1 5 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.758 0.618 25810 2560 1 5 . 1 1 87 87 ASP H H 87 8.102 8.102 7.801 0.301 25810 2561 1 5 . 1 1 88 88 ASP N N 88 121.497 121.497 119.433 2.064 25810 2562 1 5 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.398 0.292 25810 2563 1 5 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.939 -2.273 25810 2564 1 5 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.608 0.548 25810 2565 1 5 . 1 1 88 88 ASP H H 88 8.363 8.363 8.591 -0.228 25810 2566 1 5 . 1 1 89 89 SER N N 89 115.602 115.602 114.897 0.705 25810 2567 1 5 . 1 1 89 89 SER HA H 89 4.347 4.347 4.191 0.156 25810 2568 1 5 . 1 1 89 89 SER CA C 89 59.571 59.571 61.048 -1.477 25810 2569 1 5 . 1 1 89 89 SER CB C 89 63.999 63.999 63.259 0.740 25810 2570 1 5 . 1 1 89 89 SER H H 89 8.251 8.251 7.881 0.370 25810 2571 1 5 . 1 1 90 90 GLU N N 90 121.265 121.265 119.860 1.405 25810 2572 1 5 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.085 0.145 25810 2573 1 5 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.662 -0.610 25810 2574 1 5 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.785 0.025 25810 2575 1 5 . 1 1 90 90 GLU H H 90 8.331 8.331 7.767 0.564 25810 2576 1 5 . 1 1 91 91 ASN N N 91 118.544 118.544 118.927 -0.383 25810 2577 1 5 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.876 -0.221 25810 2578 1 5 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.329 0.132 25810 2579 1 5 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.468 -0.260 25810 2580 1 5 . 1 1 91 91 ASN H H 91 8.131 8.131 8.040 0.091 25810 2581 1 5 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.529 -0.536 25810 2582 1 5 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.620 0.791 25810 2583 1 5 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.549 -0.267 25810 2584 1 5 . 1 1 96 96 GLY N N 96 109.372 109.372 110.419 -1.047 25810 2585 1 5 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.271 0.417 25810 2586 1 5 . 1 1 96 96 GLY H H 96 8.110 8.110 8.588 -0.478 25810 2587 1 5 . 1 1 97 97 ARG N N 97 120.154 120.154 122.510 -2.356 25810 2588 1 5 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.539 -0.072 25810 2589 1 5 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.626 -0.060 25810 2590 1 5 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.916 0.589 25810 2591 1 5 . 1 1 97 97 ARG H H 97 7.966 7.966 8.511 -0.545 25810 2592 1 5 . 1 1 99 99 VAL HA H 99 4.142 4.142 3.882 0.260 25810 2593 1 5 . 1 1 99 99 VAL CA C 99 62.039 62.039 64.516 -2.477 25810 2594 1 5 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.228 -1.353 25810 2595 1 5 . 1 1 100 100 ARG N N 100 125.661 125.661 117.376 8.285 25810 2596 1 5 . 1 1 100 100 ARG HA H 100 4.501 4.501 3.944 0.557 25810 2597 1 5 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.792 -2.235 25810 2598 1 5 . 1 1 100 100 ARG H H 100 8.379 8.379 8.364 0.015 25810 2599 1 5 . 1 1 102 102 SER HA H 102 4.356 4.356 4.516 -0.160 25810 2600 1 5 . 1 1 102 102 SER CA C 102 57.361 57.361 57.554 -0.193 25810 2601 1 5 . 1 1 102 102 SER CB C 102 65.237 65.237 65.228 0.009 25810 2602 1 5 . 1 1 103 103 ALA N N 103 125.468 125.468 130.146 -4.678 25810 2603 1 5 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.208 -0.197 25810 2604 1 5 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.858 1.127 25810 2605 1 5 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.933 -0.341 25810 2606 1 5 . 1 1 103 103 ALA H H 103 9.148 9.148 8.907 0.241 25810 2607 1 5 . 1 1 104 104 ASP N N 104 115.217 115.217 118.854 -3.637 25810 2608 1 5 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.612 -0.304 25810 2609 1 5 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.769 0.538 25810 2610 1 5 . 1 1 104 104 ASP CB C 104 40.978 40.978 39.941 1.037 25810 2611 1 5 . 1 1 104 104 ASP H H 104 8.517 8.517 7.979 0.537 25810 2612 1 5 . 1 1 105 105 ALA N N 105 122.884 122.884 121.845 1.039 25810 2613 1 5 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.387 -0.307 25810 2614 1 5 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.730 0.374 25810 2615 1 5 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.596 -0.259 25810 2616 1 5 . 1 1 105 105 ALA H H 105 7.953 7.953 8.101 -0.148 25810 2617 1 5 . 1 1 106 106 MET N N 106 118.710 118.710 118.054 0.656 25810 2618 1 5 . 1 1 106 106 MET HA H 106 3.987 3.987 4.019 -0.032 25810 2619 1 5 . 1 1 106 106 MET CA C 106 59.704 59.704 59.788 -0.085 25810 2620 1 5 . 1 1 106 106 MET CB C 106 33.450 33.450 32.732 0.718 25810 2621 1 5 . 1 1 106 106 MET H H 106 8.186 8.186 7.634 0.552 25810 2622 1 5 . 1 1 107 107 MET N N 107 116.864 116.864 118.123 -1.259 25810 2623 1 5 . 1 1 107 107 MET HA H 107 4.446 4.446 4.122 0.324 25810 2624 1 5 . 1 1 107 107 MET CA C 107 57.649 57.649 59.472 -1.823 25810 2625 1 5 . 1 1 107 107 MET CB C 107 31.359 31.359 32.236 -0.877 25810 2626 1 5 . 1 1 107 107 MET H H 107 8.483 8.483 7.917 0.566 25810 2627 1 5 . 1 1 108 108 GLN N N 108 117.959 117.959 118.727 -0.768 25810 2628 1 5 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.928 0.081 25810 2629 1 5 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.233 -0.246 25810 2630 1 5 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.500 0.020 25810 2631 1 5 . 1 1 108 108 GLN H H 108 8.359 8.359 8.139 0.220 25810 2632 1 5 . 1 1 109 109 ALA N N 109 121.657 121.657 122.555 -0.898 25810 2633 1 5 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.095 0.044 25810 2634 1 5 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.927 -0.162 25810 2635 1 5 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.529 -0.090 25810 2636 1 5 . 1 1 109 109 ALA H H 109 7.855 7.855 8.017 -0.162 25810 2637 1 5 . 1 1 110 110 LEU N N 110 116.183 116.183 118.983 -2.800 25810 2638 1 5 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.018 0.107 25810 2639 1 5 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.784 -0.352 25810 2640 1 5 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.031 0.601 25810 2641 1 5 . 1 1 110 110 LEU H H 110 7.933 7.933 7.840 0.093 25810 2642 1 5 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.794 -0.184 25810 2643 1 5 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.651 1.241 25810 2644 1 5 . 1 1 112 112 GLY N N 112 109.198 109.198 105.674 3.524 25810 2645 1 5 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.623 0.444 25810 2646 1 5 . 1 1 112 112 GLY H H 112 7.928 7.928 7.627 0.301 25810 2647 1 5 . 1 1 113 113 ALA N N 113 124.374 124.374 121.453 2.921 25810 2648 1 5 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.078 0.185 25810 2649 1 5 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.375 1.029 25810 2650 1 5 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.252 -0.539 25810 2651 1 5 . 1 1 113 113 ALA H H 113 8.211 8.211 7.441 0.770 25810 2652 1 5 . 1 1 114 114 ARG N N 114 117.947 117.947 116.030 1.917 25810 2653 1 5 . 1 1 114 114 ARG HA H 114 4.247 4.247 3.957 0.290 25810 2654 1 5 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.261 0.307 25810 2655 1 5 . 1 1 114 114 ARG CB C 114 30.389 30.389 28.027 2.362 25810 2656 1 5 . 1 1 114 114 ARG H H 114 7.974 7.974 8.467 -0.493 25810 2657 1 5 . 1 1 115 115 ALA N N 115 123.079 123.079 116.735 6.344 25810 2658 1 5 . 1 1 115 115 ALA HA H 115 4.216 4.216 3.986 0.230 25810 2659 1 5 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.367 0.416 25810 2660 1 5 . 1 1 115 115 ALA CB C 115 18.915 18.915 18.072 0.843 25810 2661 1 5 . 1 1 115 115 ALA H H 115 7.969 7.969 8.579 -0.610 25810 2662 1 5 . 1 1 116 116 LYS N N 116 120.562 120.562 115.619 4.943 25810 2663 1 5 . 1 1 116 116 LYS HA H 116 4.239 4.239 3.923 0.316 25810 2664 1 5 . 1 1 116 116 LYS CA C 116 57.421 57.421 57.472 -0.051 25810 2665 1 5 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.337 1.036 25810 2666 1 5 . 1 1 116 116 LYS H H 116 8.310 8.310 7.795 0.515 25810 2667 1 5 . 1 1 117 117 GLU N N 117 121.115 121.115 120.394 0.721 25810 2668 1 5 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.398 -0.139 25810 2669 1 5 . 1 1 117 117 GLU CA C 117 57.347 57.347 56.170 1.177 25810 2670 1 5 . 1 1 117 117 GLU CB C 117 30.037 30.037 27.840 2.196 25810 2671 1 5 . 1 1 117 117 GLU H H 117 8.646 8.646 8.639 0.007 25810 2672 1 5 . 1 1 118 118 SER N N 118 115.616 115.616 116.800 -1.184 25810 2673 1 5 . 1 1 118 118 SER HA H 118 4.322 4.322 4.207 0.115 25810 2674 1 5 . 1 1 118 118 SER CA C 118 59.082 59.082 61.129 -2.047 25810 2675 1 5 . 1 1 118 118 SER CB C 118 63.624 63.624 63.221 0.403 25810 2676 1 5 . 1 1 118 118 SER H H 118 8.346 8.346 7.971 0.374 25810 2677 1 5 . 1 1 119 119 LEU N N 119 122.984 122.984 121.294 1.690 25810 2678 1 5 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.165 0.143 25810 2679 1 5 . 1 1 119 119 LEU CA C 119 55.503 55.503 55.707 -0.204 25810 2680 1 5 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.639 -0.378 25810 2681 1 5 . 1 1 119 119 LEU H H 119 7.970 7.970 7.993 -0.023 25810 2682 1 5 . 1 1 120 120 ASP N N 120 120.516 120.516 117.614 2.902 25810 2683 1 5 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.342 0.268 25810 2684 1 5 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.274 -0.822 25810 2685 1 5 . 1 1 120 120 ASP CB C 120 41.020 41.020 40.230 0.790 25810 2686 1 5 . 1 1 120 120 ASP H H 120 8.149 8.149 7.690 0.459 25810 2687 1 5 . 1 1 121 121 LEU N N 121 122.598 122.598 120.119 2.479 25810 2688 1 5 . 1 1 121 121 LEU HA H 121 4.275 4.275 3.950 0.325 25810 2689 1 5 . 1 1 121 121 LEU CA C 121 56.021 56.021 56.849 -0.828 25810 2690 1 5 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.367 -0.313 25810 2691 1 5 . 1 1 121 121 LEU H H 121 8.111 8.111 8.544 -0.433 25810 2692 1 5 . 1 1 122 122 ARG N N 122 119.425 119.425 117.904 1.521 25810 2693 1 5 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.066 0.181 25810 2694 1 5 . 1 1 122 122 ARG CA C 122 56.615 56.615 57.404 -0.789 25810 2695 1 5 . 1 1 122 122 ARG CB C 122 30.436 30.436 29.675 0.761 25810 2696 1 5 . 1 1 122 122 ARG H H 122 8.131 8.131 7.982 0.149 25810 2697 1 5 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.387 0.757 25810 2698 1 5 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.709 -0.586 25810 2699 1 5 . 1 1 124 124 HIS N N 124 117.075 117.075 117.859 -0.784 25810 2700 1 5 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.814 0.283 25810 2701 1 5 . 1 1 124 124 HIS CB C 124 30.425 30.425 31.306 -0.881 25810 2702 1 5 . 1 1 124 124 HIS H H 124 8.185 8.185 8.152 0.033 25810 2703 1 5 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.735 -0.381 25810 2704 1 5 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.989 0.268 25810 2705 1 5 . 1 1 125 125 LEU CB C 125 42.301 42.301 43.610 -1.309 25810 2706 1 6 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 31.799 -1.222 25810 2707 1 6 . 1 1 -7 -7 GLY N N -7 108.818 108.818 104.980 3.838 25810 2708 1 6 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.618 0.566 25810 2709 1 6 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.479 -0.149 25810 2710 1 6 . 1 1 0 0 ASP N N 0 115.716 115.716 115.823 -0.107 25810 2711 1 6 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.613 -0.125 25810 2712 1 6 . 1 1 0 0 ASP CA C 0 58.683 58.683 59.056 -0.373 25810 2713 1 6 . 1 1 0 0 ASP CB C 0 63.996 63.996 64.433 -0.437 25810 2714 1 6 . 1 1 0 0 ASP H H 0 8.155 8.155 8.728 -0.573 25810 2715 1 6 . 1 1 1 1 MET N N 1 121.815 121.815 121.526 0.289 25810 2716 1 6 . 1 1 1 1 MET HA H 1 4.450 4.450 4.901 -0.451 25810 2717 1 6 . 1 1 1 1 MET CA C 1 55.996 55.996 54.328 1.668 25810 2718 1 6 . 1 1 1 1 MET CB C 1 32.334 32.334 33.663 -1.329 25810 2719 1 6 . 1 1 1 1 MET H H 1 8.553 8.553 8.361 0.192 25810 2720 1 6 . 1 1 2 2 ASP N N 2 119.828 119.828 122.110 -2.282 25810 2721 1 6 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.408 0.073 25810 2722 1 6 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.082 -0.959 25810 2723 1 6 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.542 0.569 25810 2724 1 6 . 1 1 3 3 ASP N N 3 119.912 119.912 120.641 -0.729 25810 2725 1 6 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.462 0.014 25810 2726 1 6 . 1 1 3 3 ASP CA C 3 56.220 56.220 57.363 -1.143 25810 2727 1 6 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.373 0.569 25810 2728 1 6 . 1 1 3 3 ASP H H 3 8.098 8.098 8.712 -0.614 25810 2729 1 6 . 1 1 4 4 ILE N N 4 120.617 120.617 120.011 0.606 25810 2730 1 6 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.729 0.118 25810 2731 1 6 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.283 -0.446 25810 2732 1 6 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.730 0.058 25810 2733 1 6 . 1 1 4 4 ILE H H 4 7.897 7.897 7.812 0.085 25810 2734 1 6 . 1 1 5 5 TYR N N 5 121.116 121.116 121.027 0.089 25810 2735 1 6 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.916 0.392 25810 2736 1 6 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.046 -1.795 25810 2737 1 6 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.239 -0.650 25810 2738 1 6 . 1 1 5 5 TYR H H 5 7.961 7.961 7.889 0.072 25810 2739 1 6 . 1 1 6 6 LYS N N 6 120.005 120.005 118.268 1.737 25810 2740 1 6 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.768 0.155 25810 2741 1 6 . 1 1 6 6 LYS CA C 6 59.544 59.544 58.854 0.690 25810 2742 1 6 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.136 0.219 25810 2743 1 6 . 1 1 6 6 LYS H H 6 8.008 8.008 8.117 -0.109 25810 2744 1 6 . 1 1 7 7 ALA N N 7 120.589 120.589 121.385 -0.796 25810 2745 1 6 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.065 0.089 25810 2746 1 6 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.928 -0.411 25810 2747 1 6 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.114 -0.028 25810 2748 1 6 . 1 1 7 7 ALA H H 7 7.816 7.816 8.046 -0.230 25810 2749 1 6 . 1 1 8 8 ALA N N 8 120.065 120.065 121.287 -1.222 25810 2750 1 6 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.956 0.198 25810 2751 1 6 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.029 -0.331 25810 2752 1 6 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.051 0.432 25810 2753 1 6 . 1 1 8 8 ALA H H 8 7.622 7.622 8.209 -0.587 25810 2754 1 6 . 1 1 9 9 VAL N N 9 118.101 118.101 118.248 -0.147 25810 2755 1 6 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.516 0.043 25810 2756 1 6 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.492 -0.458 25810 2757 1 6 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.039 0.643 25810 2758 1 6 . 1 1 9 9 VAL H H 9 7.974 7.974 7.440 0.534 25810 2759 1 6 . 1 1 10 10 GLU N N 10 118.217 118.217 118.590 -0.373 25810 2760 1 6 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.043 0.084 25810 2761 1 6 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.655 -0.386 25810 2762 1 6 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.726 -0.162 25810 2763 1 6 . 1 1 10 10 GLU H H 10 7.682 7.682 7.550 0.132 25810 2764 1 6 . 1 1 11 11 GLN N N 11 114.903 114.903 116.374 -1.471 25810 2765 1 6 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.233 0.090 25810 2766 1 6 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.945 -1.293 25810 2767 1 6 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.430 0.017 25810 2768 1 6 . 1 1 11 11 GLN H H 11 7.404 7.404 7.625 -0.221 25810 2769 1 6 . 1 1 12 12 LEU N N 12 120.467 120.467 121.480 -1.013 25810 2770 1 6 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.292 0.290 25810 2771 1 6 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.720 0.277 25810 2772 1 6 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.770 0.796 25810 2773 1 6 . 1 1 12 12 LEU H H 12 7.354 7.354 7.987 -0.633 25810 2774 1 6 . 1 1 13 13 THR N N 13 113.431 113.431 113.624 -0.193 25810 2775 1 6 . 1 1 13 13 THR HA H 13 4.462 4.462 4.723 -0.261 25810 2776 1 6 . 1 1 13 13 THR CA C 13 60.759 60.759 59.713 1.046 25810 2777 1 6 . 1 1 13 13 THR CB C 13 71.101 71.101 71.725 -0.624 25810 2778 1 6 . 1 1 13 13 THR H H 13 8.844 8.844 8.107 0.737 25810 2779 1 6 . 1 1 14 14 GLU N N 14 121.790 121.790 120.837 0.953 25810 2780 1 6 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.994 -0.031 25810 2781 1 6 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.075 -0.201 25810 2782 1 6 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.396 -0.078 25810 2783 1 6 . 1 1 14 14 GLU H H 14 9.013 9.013 8.933 0.080 25810 2784 1 6 . 1 1 15 15 GLU N N 15 117.495 117.495 119.572 -2.077 25810 2785 1 6 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.048 0.012 25810 2786 1 6 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.458 0.874 25810 2787 1 6 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.193 -0.017 25810 2788 1 6 . 1 1 15 15 GLU H H 15 8.653 8.653 8.479 0.174 25810 2789 1 6 . 1 1 16 16 GLN N N 16 119.205 119.205 119.495 -0.290 25810 2790 1 6 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.064 -0.207 25810 2791 1 6 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.810 0.138 25810 2792 1 6 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.736 0.995 25810 2793 1 6 . 1 1 16 16 GLN H H 16 7.839 7.839 7.613 0.226 25810 2794 1 6 . 1 1 17 17 LYS N N 17 119.027 119.027 119.300 -0.273 25810 2795 1 6 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.166 -0.142 25810 2796 1 6 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.349 2.339 25810 2797 1 6 . 1 1 17 17 LYS CB C 17 32.056 32.056 31.945 0.111 25810 2798 1 6 . 1 1 17 17 LYS H H 17 8.539 8.539 8.211 0.328 25810 2799 1 6 . 1 1 18 18 ASN N N 18 117.428 117.428 118.478 -1.050 25810 2800 1 6 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.472 0.090 25810 2801 1 6 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.780 -0.607 25810 2802 1 6 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.553 -0.750 25810 2803 1 6 . 1 1 18 18 ASN H H 18 8.552 8.552 8.383 0.169 25810 2804 1 6 . 1 1 19 19 GLU N N 19 123.611 123.611 120.655 2.956 25810 2805 1 6 . 1 1 19 19 GLU HA H 19 4.205 4.205 3.991 0.214 25810 2806 1 6 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.448 0.350 25810 2807 1 6 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.370 0.035 25810 2808 1 6 . 1 1 19 19 GLU H H 19 8.012 8.012 7.641 0.371 25810 2809 1 6 . 1 1 20 20 PHE N N 20 117.357 117.357 118.687 -1.330 25810 2810 1 6 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.351 0.503 25810 2811 1 6 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.403 -0.669 25810 2812 1 6 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.926 -0.604 25810 2813 1 6 . 1 1 20 20 PHE H H 20 8.320 8.320 7.945 0.375 25810 2814 1 6 . 1 1 21 21 LYS N N 21 122.064 122.064 121.184 0.880 25810 2815 1 6 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.022 0.003 25810 2816 1 6 . 1 1 21 21 LYS CA C 21 58.674 58.674 60.079 -1.405 25810 2817 1 6 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.449 -0.765 25810 2818 1 6 . 1 1 21 21 LYS H H 21 8.864 8.864 8.647 0.217 25810 2819 1 6 . 1 1 22 22 ALA N N 22 121.827 121.827 121.052 0.775 25810 2820 1 6 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.183 0.030 25810 2821 1 6 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.347 -0.616 25810 2822 1 6 . 1 1 22 22 ALA H H 22 8.009 8.009 7.820 0.189 25810 2823 1 6 . 1 1 23 23 ALA N N 23 119.945 119.945 121.673 -1.728 25810 2824 1 6 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.161 -0.032 25810 2825 1 6 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.919 0.420 25810 2826 1 6 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.441 0.545 25810 2827 1 6 . 1 1 23 23 ALA H H 23 8.178 8.178 7.763 0.415 25810 2828 1 6 . 1 1 24 24 PHE N N 24 121.275 121.275 119.363 1.912 25810 2829 1 6 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.052 -0.514 25810 2830 1 6 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.402 1.011 25810 2831 1 6 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.108 0.633 25810 2832 1 6 . 1 1 24 24 PHE H H 24 8.925 8.925 8.770 0.155 25810 2833 1 6 . 1 1 25 25 ASP N N 25 117.407 117.407 119.027 -1.620 25810 2834 1 6 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.189 0.075 25810 2835 1 6 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.570 -0.556 25810 2836 1 6 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.491 -0.594 25810 2837 1 6 . 1 1 25 25 ASP H H 25 8.714 8.714 8.068 0.646 25810 2838 1 6 . 1 1 26 26 ILE N N 26 119.320 119.320 118.786 0.534 25810 2839 1 6 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.708 0.109 25810 2840 1 6 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.315 -0.901 25810 2841 1 6 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.182 -0.740 25810 2842 1 6 . 1 1 26 26 ILE H H 26 7.337 7.337 7.519 -0.182 25810 2843 1 6 . 1 1 27 27 PHE N N 27 123.734 123.734 120.875 2.859 25810 2844 1 6 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.141 -0.565 25810 2845 1 6 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.461 1.157 25810 2846 1 6 . 1 1 27 27 PHE H H 27 8.139 8.139 8.051 0.088 25810 2847 1 6 . 1 1 28 28 VAL N N 28 105.007 105.007 112.891 -7.884 25810 2848 1 6 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.057 0.026 25810 2849 1 6 . 1 1 28 28 VAL CA C 28 61.156 61.156 60.580 0.576 25810 2850 1 6 . 1 1 28 28 VAL CB C 28 31.392 31.392 30.216 1.176 25810 2851 1 6 . 1 1 28 28 VAL H H 28 7.505 7.505 7.393 0.112 25810 2852 1 6 . 1 1 29 29 LEU N N 29 126.175 126.175 123.328 2.847 25810 2853 1 6 . 1 1 29 29 LEU HA H 29 4.095 4.095 3.999 0.096 25810 2854 1 6 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.580 0.916 25810 2855 1 6 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.767 -0.192 25810 2856 1 6 . 1 1 29 29 LEU H H 29 7.274 7.274 7.541 -0.267 25810 2857 1 6 . 1 1 30 30 GLY N N 30 113.173 113.173 111.765 1.408 25810 2858 1 6 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.886 0.653 25810 2859 1 6 . 1 1 30 30 GLY H H 30 8.950 8.950 8.751 0.199 25810 2860 1 6 . 1 1 31 31 ALA N N 31 124.109 124.109 123.761 0.348 25810 2861 1 6 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.563 -0.106 25810 2862 1 6 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.691 1.537 25810 2863 1 6 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.482 0.440 25810 2864 1 6 . 1 1 31 31 ALA H H 31 8.131 8.131 8.078 0.053 25810 2865 1 6 . 1 1 32 32 GLU N N 32 124.956 124.956 123.767 1.189 25810 2866 1 6 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.024 0.076 25810 2867 1 6 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.929 0.164 25810 2868 1 6 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.627 0.259 25810 2869 1 6 . 1 1 32 32 GLU H H 32 9.204 9.204 8.819 0.385 25810 2870 1 6 . 1 1 33 33 ASP N N 33 115.544 115.544 117.356 -1.812 25810 2871 1 6 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.471 0.294 25810 2872 1 6 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.437 -1.366 25810 2873 1 6 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.083 0.300 25810 2874 1 6 . 1 1 33 33 ASP H H 33 8.156 8.156 8.087 0.069 25810 2875 1 6 . 1 1 34 34 GLY N N 34 105.580 105.580 106.822 -1.242 25810 2876 1 6 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.080 1.659 25810 2877 1 6 . 1 1 34 34 GLY H H 34 7.582 7.582 7.644 -0.062 25810 2878 1 6 . 1 1 35 35 SER N N 35 113.292 113.292 115.596 -2.304 25810 2879 1 6 . 1 1 35 35 SER HA H 35 4.960 4.960 4.563 0.397 25810 2880 1 6 . 1 1 35 35 SER CA C 35 57.390 57.390 57.993 -0.603 25810 2881 1 6 . 1 1 35 35 SER CB C 35 66.240 66.240 64.885 1.355 25810 2882 1 6 . 1 1 35 35 SER H H 35 7.584 7.584 7.836 -0.252 25810 2883 1 6 . 1 1 36 36 ILE N N 36 119.513 119.513 115.395 4.118 25810 2884 1 6 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.658 -0.895 25810 2885 1 6 . 1 1 36 36 ILE CA C 36 63.288 63.288 60.588 2.700 25810 2886 1 6 . 1 1 36 36 ILE CB C 36 39.605 39.605 41.287 -1.682 25810 2887 1 6 . 1 1 36 36 ILE H H 36 9.028 9.028 8.245 0.783 25810 2888 1 6 . 1 1 37 37 SER N N 37 126.146 126.146 116.783 9.363 25810 2889 1 6 . 1 1 37 37 SER HA H 37 5.198 5.198 4.984 0.214 25810 2890 1 6 . 1 1 37 37 SER CA C 37 57.010 57.010 56.147 0.863 25810 2891 1 6 . 1 1 37 37 SER CB C 37 67.563 67.563 65.359 2.204 25810 2892 1 6 . 1 1 37 37 SER H H 37 9.571 9.571 8.488 1.083 25810 2893 1 6 . 1 1 38 38 THR N N 38 111.059 111.059 114.243 -3.184 25810 2894 1 6 . 1 1 38 38 THR HA H 38 4.514 4.514 4.170 0.344 25810 2895 1 6 . 1 1 38 38 THR CA C 38 66.653 66.653 65.925 0.728 25810 2896 1 6 . 1 1 38 38 THR CB C 38 68.362 68.362 68.862 -0.500 25810 2897 1 6 . 1 1 38 38 THR H H 38 8.794 8.794 8.238 0.556 25810 2898 1 6 . 1 1 39 39 LYS N N 39 123.369 123.369 121.390 1.979 25810 2899 1 6 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.097 -0.041 25810 2900 1 6 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.437 0.329 25810 2901 1 6 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.121 0.082 25810 2902 1 6 . 1 1 39 39 LYS H H 39 8.044 8.044 8.317 -0.273 25810 2903 1 6 . 1 1 40 40 GLU N N 40 119.970 119.970 119.072 0.898 25810 2904 1 6 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.106 0.068 25810 2905 1 6 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.134 2.138 25810 2906 1 6 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.313 0.879 25810 2907 1 6 . 1 1 40 40 GLU H H 40 7.714 7.714 8.337 -0.623 25810 2908 1 6 . 1 1 41 41 LEU N N 41 119.088 119.088 119.807 -0.719 25810 2909 1 6 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.149 0.100 25810 2910 1 6 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.541 0.330 25810 2911 1 6 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.747 0.489 25810 2912 1 6 . 1 1 41 41 LEU H H 41 8.375 8.375 8.529 -0.154 25810 2913 1 6 . 1 1 42 42 GLY N N 42 106.311 106.311 107.006 -0.695 25810 2914 1 6 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.055 1.176 25810 2915 1 6 . 1 1 42 42 GLY H H 42 8.581 8.581 8.542 0.039 25810 2916 1 6 . 1 1 43 43 LYS N N 43 120.717 120.717 122.999 -2.282 25810 2917 1 6 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.100 -0.129 25810 2918 1 6 . 1 1 43 43 LYS CA C 43 60.040 60.040 58.632 1.408 25810 2919 1 6 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.289 0.104 25810 2920 1 6 . 1 1 43 43 LYS H H 43 7.293 7.293 7.557 -0.264 25810 2921 1 6 . 1 1 44 44 VAL N N 44 119.884 119.884 120.810 -0.926 25810 2922 1 6 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.567 0.074 25810 2923 1 6 . 1 1 44 44 VAL CA C 44 66.444 66.444 65.690 0.754 25810 2924 1 6 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.617 0.439 25810 2925 1 6 . 1 1 44 44 VAL H H 44 7.560 7.560 7.894 -0.334 25810 2926 1 6 . 1 1 45 45 MET N N 45 117.256 117.256 118.735 -1.479 25810 2927 1 6 . 1 1 45 45 MET HA H 45 4.179 4.179 4.037 0.142 25810 2928 1 6 . 1 1 45 45 MET CA C 45 57.934 57.934 58.651 -0.717 25810 2929 1 6 . 1 1 45 45 MET CB C 45 31.407 31.407 31.558 -0.151 25810 2930 1 6 . 1 1 45 45 MET H H 45 8.575 8.575 8.477 0.098 25810 2931 1 6 . 1 1 46 46 ARG N N 46 118.652 118.652 118.115 0.537 25810 2932 1 6 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.085 0.509 25810 2933 1 6 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.218 0.205 25810 2934 1 6 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.066 -0.206 25810 2935 1 6 . 1 1 46 46 ARG H H 46 8.080 8.080 7.769 0.311 25810 2936 1 6 . 1 1 47 47 MET N N 47 122.632 122.632 119.248 3.384 25810 2937 1 6 . 1 1 47 47 MET HA H 47 4.179 4.179 4.185 -0.006 25810 2938 1 6 . 1 1 47 47 MET CA C 47 59.178 59.178 57.794 1.384 25810 2939 1 6 . 1 1 47 47 MET CB C 47 32.669 32.669 32.386 0.283 25810 2940 1 6 . 1 1 47 47 MET H H 47 7.864 7.864 7.495 0.369 25810 2941 1 6 . 1 1 48 48 LEU N N 48 117.884 117.884 114.802 3.082 25810 2942 1 6 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.189 0.173 25810 2943 1 6 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.886 -1.347 25810 2944 1 6 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.361 -0.543 25810 2945 1 6 . 1 1 48 48 LEU H H 48 7.485 7.485 8.024 -0.539 25810 2946 1 6 . 1 1 49 49 GLY N N 49 107.912 107.912 104.059 3.853 25810 2947 1 6 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.670 1.293 25810 2948 1 6 . 1 1 49 49 GLY H H 49 7.884 7.884 7.623 0.261 25810 2949 1 6 . 1 1 50 50 GLN N N 50 117.606 117.606 119.128 -1.522 25810 2950 1 6 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.584 -0.083 25810 2951 1 6 . 1 1 50 50 GLN CA C 50 53.392 53.392 53.902 -0.510 25810 2952 1 6 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.126 -0.353 25810 2953 1 6 . 1 1 50 50 GLN H H 50 8.096 8.096 8.003 0.093 25810 2954 1 6 . 1 1 51 51 ASN N N 51 116.663 116.663 121.171 -4.508 25810 2955 1 6 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.087 0.035 25810 2956 1 6 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.219 1.011 25810 2957 1 6 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.510 -0.364 25810 2958 1 6 . 1 1 51 51 ASN H H 51 8.693 8.693 8.584 0.109 25810 2959 1 6 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.614 0.075 25810 2960 1 6 . 1 1 53 53 THR N N 53 113.865 113.865 112.261 1.604 25810 2961 1 6 . 1 1 53 53 THR H H 53 8.985 8.985 8.092 0.893 25810 2962 1 6 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.117 0.069 25810 2963 1 6 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.769 0.493 25810 2964 1 6 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.751 0.139 25810 2965 1 6 . 1 1 55 55 GLU N N 55 117.475 117.475 116.457 1.018 25810 2966 1 6 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.021 0.023 25810 2967 1 6 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.756 0.859 25810 2968 1 6 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.132 -0.397 25810 2969 1 6 . 1 1 55 55 GLU H H 55 8.785 8.785 8.900 -0.115 25810 2970 1 6 . 1 1 56 56 GLU N N 56 121.699 121.699 119.706 1.993 25810 2971 1 6 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.107 -0.083 25810 2972 1 6 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.882 0.374 25810 2973 1 6 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.356 0.740 25810 2974 1 6 . 1 1 56 56 GLU H H 56 7.815 7.815 7.600 0.215 25810 2975 1 6 . 1 1 57 57 LEU N N 57 118.421 118.421 120.276 -1.855 25810 2976 1 6 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.991 0.022 25810 2977 1 6 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.249 -1.687 25810 2978 1 6 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.630 1.102 25810 2979 1 6 . 1 1 57 57 LEU H H 57 8.246 8.246 7.942 0.304 25810 2980 1 6 . 1 1 58 58 GLN N N 58 118.349 118.349 118.928 -0.579 25810 2981 1 6 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.880 -0.183 25810 2982 1 6 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.411 -1.074 25810 2983 1 6 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.619 -0.051 25810 2984 1 6 . 1 1 58 58 GLN H H 58 8.003 8.003 8.189 -0.186 25810 2985 1 6 . 1 1 59 59 GLU N N 59 119.049 119.049 120.548 -1.499 25810 2986 1 6 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.039 0.058 25810 2987 1 6 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.037 0.604 25810 2988 1 6 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.233 0.388 25810 2989 1 6 . 1 1 59 59 GLU H H 59 7.979 7.979 7.846 0.133 25810 2990 1 6 . 1 1 60 60 MET N N 60 117.492 117.492 120.388 -2.896 25810 2991 1 6 . 1 1 60 60 MET HA H 60 4.083 4.083 4.148 -0.065 25810 2992 1 6 . 1 1 60 60 MET CA C 60 59.764 59.764 59.492 0.272 25810 2993 1 6 . 1 1 60 60 MET CB C 60 34.533 34.533 32.741 1.792 25810 2994 1 6 . 1 1 60 60 MET H H 60 7.776 7.776 8.146 -0.370 25810 2995 1 6 . 1 1 61 61 ILE N N 61 118.035 118.035 118.009 0.026 25810 2996 1 6 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.665 0.052 25810 2997 1 6 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.873 -1.760 25810 2998 1 6 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.767 -1.477 25810 2999 1 6 . 1 1 61 61 ILE H H 61 7.564 7.564 7.985 -0.421 25810 3000 1 6 . 1 1 62 62 ASP N N 62 119.355 119.355 118.567 0.788 25810 3001 1 6 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.426 -0.079 25810 3002 1 6 . 1 1 62 62 ASP CA C 62 57.676 57.676 56.413 1.263 25810 3003 1 6 . 1 1 62 62 ASP CB C 62 40.352 40.352 41.229 -0.877 25810 3004 1 6 . 1 1 62 62 ASP H H 62 8.801 8.801 7.916 0.885 25810 3005 1 6 . 1 1 63 63 GLU N N 63 116.439 116.439 120.591 -4.152 25810 3006 1 6 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.088 -0.025 25810 3007 1 6 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.986 -0.165 25810 3008 1 6 . 1 1 63 63 GLU CB C 63 30.124 30.124 30.036 0.088 25810 3009 1 6 . 1 1 63 63 GLU H H 63 7.702 7.702 8.244 -0.542 25810 3010 1 6 . 1 1 64 64 VAL N N 64 112.796 112.796 111.604 1.192 25810 3011 1 6 . 1 1 64 64 VAL HA H 64 4.194 4.194 4.189 0.005 25810 3012 1 6 . 1 1 64 64 VAL CA C 64 61.611 61.611 61.772 -0.161 25810 3013 1 6 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.705 0.959 25810 3014 1 6 . 1 1 64 64 VAL H H 64 7.151 7.151 7.698 -0.547 25810 3015 1 6 . 1 1 65 65 ASP N N 65 121.138 121.138 120.376 0.762 25810 3016 1 6 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.585 -0.075 25810 3017 1 6 . 1 1 65 65 ASP CA C 65 53.565 53.565 54.804 -1.239 25810 3018 1 6 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.704 -0.687 25810 3019 1 6 . 1 1 65 65 ASP H H 65 7.866 7.866 7.454 0.412 25810 3020 1 6 . 1 1 66 66 GLU N N 66 128.324 128.324 125.992 2.332 25810 3021 1 6 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.193 0.001 25810 3022 1 6 . 1 1 66 66 GLU CA C 66 58.452 58.452 57.819 0.633 25810 3023 1 6 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.434 0.679 25810 3024 1 6 . 1 1 66 66 GLU H H 66 8.187 8.187 8.477 -0.290 25810 3025 1 6 . 1 1 67 67 ASP N N 67 114.662 114.662 115.496 -0.834 25810 3026 1 6 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.620 0.070 25810 3027 1 6 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.246 -0.486 25810 3028 1 6 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.236 0.118 25810 3029 1 6 . 1 1 67 67 ASP H H 67 8.111 8.111 7.976 0.135 25810 3030 1 6 . 1 1 68 68 GLY N N 68 109.084 109.084 108.332 0.752 25810 3031 1 6 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.049 1.087 25810 3032 1 6 . 1 1 68 68 GLY H H 68 7.771 7.771 8.004 -0.233 25810 3033 1 6 . 1 1 69 69 SER N N 69 117.283 117.283 116.584 0.699 25810 3034 1 6 . 1 1 69 69 SER HA H 69 4.217 4.217 4.209 0.008 25810 3035 1 6 . 1 1 69 69 SER CA C 69 60.270 60.270 59.545 0.725 25810 3036 1 6 . 1 1 69 69 SER CB C 69 64.648 64.648 64.364 0.284 25810 3037 1 6 . 1 1 69 69 SER H H 69 8.632 8.632 8.744 -0.112 25810 3038 1 6 . 1 1 70 70 GLY N N 70 116.242 116.242 111.346 4.896 25810 3039 1 6 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.391 0.097 25810 3040 1 6 . 1 1 70 70 GLY H H 70 10.710 10.710 9.260 1.450 25810 3041 1 6 . 1 1 71 71 THR N N 71 106.843 106.843 115.406 -8.563 25810 3042 1 6 . 1 1 71 71 THR HA H 71 4.941 4.941 4.662 0.279 25810 3043 1 6 . 1 1 71 71 THR CA C 71 58.422 58.422 61.463 -3.041 25810 3044 1 6 . 1 1 71 71 THR CB C 71 73.822 73.822 72.146 1.676 25810 3045 1 6 . 1 1 71 71 THR H H 71 7.551 7.551 7.614 -0.062 25810 3046 1 6 . 1 1 72 72 VAL N N 72 127.231 127.231 127.025 0.206 25810 3047 1 6 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.392 0.682 25810 3048 1 6 . 1 1 72 72 VAL CA C 72 61.797 61.797 62.775 -0.978 25810 3049 1 6 . 1 1 72 72 VAL CB C 72 33.925 33.925 31.648 2.277 25810 3050 1 6 . 1 1 72 72 VAL H H 72 9.690 9.690 8.690 1.000 25810 3051 1 6 . 1 1 73 73 ASP N N 73 129.232 129.232 128.155 1.077 25810 3052 1 6 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.865 0.227 25810 3053 1 6 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.192 -0.811 25810 3054 1 6 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.794 -0.753 25810 3055 1 6 . 1 1 73 73 ASP H H 73 8.828 8.828 8.222 0.606 25810 3056 1 6 . 1 1 74 74 PHE N N 74 118.313 118.313 121.375 -3.062 25810 3057 1 6 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.046 -0.765 25810 3058 1 6 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.513 -1.144 25810 3059 1 6 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.349 -0.759 25810 3060 1 6 . 1 1 74 74 PHE H H 74 8.496 8.496 8.622 -0.126 25810 3061 1 6 . 1 1 75 75 ASP N N 75 117.592 117.592 118.623 -1.031 25810 3062 1 6 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.269 -0.345 25810 3063 1 6 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.863 -0.006 25810 3064 1 6 . 1 1 75 75 ASP CB C 75 39.984 39.984 40.060 -0.076 25810 3065 1 6 . 1 1 75 75 ASP H H 75 7.708 7.708 8.626 -0.918 25810 3066 1 6 . 1 1 76 76 GLU N N 76 120.100 120.100 119.536 0.564 25810 3067 1 6 . 1 1 76 76 GLU HA H 76 3.919 3.919 3.957 -0.038 25810 3068 1 6 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.191 -0.781 25810 3069 1 6 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.370 0.857 25810 3070 1 6 . 1 1 76 76 GLU H H 76 8.267 8.267 8.459 -0.192 25810 3071 1 6 . 1 1 77 77 PHE N N 77 122.101 122.101 121.158 0.943 25810 3072 1 6 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.034 -0.343 25810 3073 1 6 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.509 -0.593 25810 3074 1 6 . 1 1 77 77 PHE CB C 77 40.070 40.070 38.998 1.072 25810 3075 1 6 . 1 1 77 77 PHE H H 77 8.760 8.760 8.405 0.355 25810 3076 1 6 . 1 1 78 78 LEU N N 78 120.110 120.110 118.736 1.374 25810 3077 1 6 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.600 -0.373 25810 3078 1 6 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.863 0.252 25810 3079 1 6 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.441 0.169 25810 3080 1 6 . 1 1 78 78 LEU H H 78 8.404 8.404 7.513 0.891 25810 3081 1 6 . 1 1 79 79 VAL N N 79 116.259 116.259 118.758 -2.499 25810 3082 1 6 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.484 -0.277 25810 3083 1 6 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.494 0.135 25810 3084 1 6 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.226 0.211 25810 3085 1 6 . 1 1 79 79 VAL H H 79 7.132 7.132 7.529 -0.397 25810 3086 1 6 . 1 1 80 80 MET N N 80 118.429 118.429 119.655 -1.226 25810 3087 1 6 . 1 1 80 80 MET HA H 80 3.810 3.810 3.958 -0.148 25810 3088 1 6 . 1 1 80 80 MET CA C 80 57.828 57.828 58.141 -0.313 25810 3089 1 6 . 1 1 80 80 MET CB C 80 31.114 31.114 32.210 -1.096 25810 3090 1 6 . 1 1 80 80 MET H H 80 7.191 7.191 7.784 -0.593 25810 3091 1 6 . 1 1 81 81 MET H H 81 8.104 8.104 7.241 0.863 25810 3092 1 6 . 1 1 86 86 LYS N N 86 118.058 118.058 120.488 -2.430 25810 3093 1 6 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.021 0.279 25810 3094 1 6 . 1 1 86 86 LYS CA C 86 57.398 57.398 58.962 -1.565 25810 3095 1 6 . 1 1 86 86 LYS CB C 86 32.846 32.846 33.312 -0.466 25810 3096 1 6 . 1 1 86 86 LYS H H 86 7.750 7.750 8.063 -0.313 25810 3097 1 6 . 1 1 87 87 ASP N N 87 120.199 120.199 117.454 2.745 25810 3098 1 6 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.380 0.278 25810 3099 1 6 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.097 -1.980 25810 3100 1 6 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.489 0.887 25810 3101 1 6 . 1 1 87 87 ASP H H 87 8.102 8.102 8.480 -0.378 25810 3102 1 6 . 1 1 88 88 ASP N N 88 121.497 121.497 117.614 3.883 25810 3103 1 6 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.481 0.209 25810 3104 1 6 . 1 1 88 88 ASP CA C 88 54.666 54.666 55.616 -0.950 25810 3105 1 6 . 1 1 88 88 ASP CB C 88 41.157 41.157 39.798 1.359 25810 3106 1 6 . 1 1 88 88 ASP H H 88 8.363 8.363 8.443 -0.080 25810 3107 1 6 . 1 1 89 89 SER N N 89 115.602 115.602 114.329 1.273 25810 3108 1 6 . 1 1 89 89 SER HA H 89 4.347 4.347 4.243 0.104 25810 3109 1 6 . 1 1 89 89 SER CA C 89 59.571 59.571 60.477 -0.906 25810 3110 1 6 . 1 1 89 89 SER CB C 89 63.999 63.999 63.336 0.663 25810 3111 1 6 . 1 1 89 89 SER H H 89 8.251 8.251 7.558 0.693 25810 3112 1 6 . 1 1 90 90 GLU N N 90 121.265 121.265 120.738 0.527 25810 3113 1 6 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.355 -0.125 25810 3114 1 6 . 1 1 90 90 GLU CA C 90 57.052 57.052 56.323 0.729 25810 3115 1 6 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.320 -0.510 25810 3116 1 6 . 1 1 90 90 GLU H H 90 8.331 8.331 7.585 0.746 25810 3117 1 6 . 1 1 91 91 ASN N N 91 118.544 118.544 118.660 -0.116 25810 3118 1 6 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.279 0.376 25810 3119 1 6 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.578 -0.117 25810 3120 1 6 . 1 1 91 91 ASN CB C 91 39.208 39.208 38.261 0.946 25810 3121 1 6 . 1 1 91 91 ASN H H 91 8.131 8.131 7.972 0.159 25810 3122 1 6 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.315 -0.322 25810 3123 1 6 . 1 1 95 95 GLN CA C 95 56.411 56.411 54.922 1.489 25810 3124 1 6 . 1 1 95 95 GLN CB C 95 29.282 29.282 30.695 -1.413 25810 3125 1 6 . 1 1 96 96 GLY N N 96 109.372 109.372 108.870 0.502 25810 3126 1 6 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.090 0.598 25810 3127 1 6 . 1 1 96 96 GLY H H 96 8.110 8.110 8.027 0.083 25810 3128 1 6 . 1 1 97 97 ARG N N 97 120.154 120.154 121.137 -0.983 25810 3129 1 6 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.442 0.025 25810 3130 1 6 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.911 -0.345 25810 3131 1 6 . 1 1 97 97 ARG CB C 97 31.505 31.505 29.499 2.006 25810 3132 1 6 . 1 1 97 97 ARG H H 97 7.966 7.966 8.468 -0.502 25810 3133 1 6 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.459 -0.317 25810 3134 1 6 . 1 1 99 99 VAL CA C 99 62.039 62.039 61.967 0.073 25810 3135 1 6 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.783 -1.909 25810 3136 1 6 . 1 1 100 100 ARG N N 100 125.661 125.661 118.770 6.891 25810 3137 1 6 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.009 0.492 25810 3138 1 6 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.663 -2.106 25810 3139 1 6 . 1 1 100 100 ARG H H 100 8.379 8.379 8.453 -0.074 25810 3140 1 6 . 1 1 102 102 SER HA H 102 4.356 4.356 4.679 -0.323 25810 3141 1 6 . 1 1 102 102 SER CA C 102 57.361 57.361 57.256 0.105 25810 3142 1 6 . 1 1 102 102 SER CB C 102 65.237 65.237 64.738 0.499 25810 3143 1 6 . 1 1 103 103 ALA N N 103 125.468 125.468 126.961 -1.493 25810 3144 1 6 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.097 -0.086 25810 3145 1 6 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.141 0.844 25810 3146 1 6 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.471 0.122 25810 3147 1 6 . 1 1 103 103 ALA H H 103 9.148 9.148 8.854 0.294 25810 3148 1 6 . 1 1 104 104 ASP N N 104 115.217 115.217 118.881 -3.664 25810 3149 1 6 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.396 -0.088 25810 3150 1 6 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.172 0.135 25810 3151 1 6 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.075 0.903 25810 3152 1 6 . 1 1 104 104 ASP H H 104 8.517 8.517 8.702 -0.185 25810 3153 1 6 . 1 1 105 105 ALA N N 105 122.884 122.884 122.330 0.554 25810 3154 1 6 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.164 -0.084 25810 3155 1 6 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.921 0.183 25810 3156 1 6 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.392 -0.055 25810 3157 1 6 . 1 1 105 105 ALA H H 105 7.953 7.953 8.046 -0.093 25810 3158 1 6 . 1 1 106 106 MET N N 106 118.710 118.710 119.609 -0.899 25810 3159 1 6 . 1 1 106 106 MET HA H 106 3.987 3.987 4.066 -0.079 25810 3160 1 6 . 1 1 106 106 MET CA C 106 59.704 59.704 58.322 1.382 25810 3161 1 6 . 1 1 106 106 MET CB C 106 33.450 33.450 32.370 1.080 25810 3162 1 6 . 1 1 106 106 MET H H 106 8.186 8.186 7.981 0.205 25810 3163 1 6 . 1 1 107 107 MET N N 107 116.864 116.864 119.556 -2.692 25810 3164 1 6 . 1 1 107 107 MET HA H 107 4.446 4.446 3.887 0.559 25810 3165 1 6 . 1 1 107 107 MET CA C 107 57.649 57.649 59.740 -2.091 25810 3166 1 6 . 1 1 107 107 MET CB C 107 31.359 31.359 32.385 -1.026 25810 3167 1 6 . 1 1 107 107 MET H H 107 8.483 8.483 7.781 0.702 25810 3168 1 6 . 1 1 108 108 GLN N N 108 117.959 117.959 118.400 -0.441 25810 3169 1 6 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.962 0.047 25810 3170 1 6 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.567 0.419 25810 3171 1 6 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.631 -0.111 25810 3172 1 6 . 1 1 108 108 GLN H H 108 8.359 8.359 7.896 0.463 25810 3173 1 6 . 1 1 109 109 ALA N N 109 121.657 121.657 121.512 0.145 25810 3174 1 6 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.114 0.025 25810 3175 1 6 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.550 0.215 25810 3176 1 6 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.392 0.047 25810 3177 1 6 . 1 1 109 109 ALA H H 109 7.855 7.855 7.932 -0.077 25810 3178 1 6 . 1 1 110 110 LEU N N 110 116.183 116.183 117.936 -1.753 25810 3179 1 6 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.038 0.087 25810 3180 1 6 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.400 0.032 25810 3181 1 6 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.572 0.060 25810 3182 1 6 . 1 1 110 110 LEU H H 110 7.933 7.933 7.857 0.076 25810 3183 1 6 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.069 0.541 25810 3184 1 6 . 1 1 111 111 LEU CB C 111 42.892 42.892 43.687 -0.795 25810 3185 1 6 . 1 1 112 112 GLY N N 112 109.198 109.198 107.446 1.752 25810 3186 1 6 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.743 0.324 25810 3187 1 6 . 1 1 112 112 GLY H H 112 7.928 7.928 7.595 0.333 25810 3188 1 6 . 1 1 113 113 ALA N N 113 124.374 124.374 122.163 2.211 25810 3189 1 6 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.390 -0.127 25810 3190 1 6 . 1 1 113 113 ALA CA C 113 53.404 53.404 51.642 1.762 25810 3191 1 6 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.954 -1.241 25810 3192 1 6 . 1 1 113 113 ALA H H 113 8.211 8.211 7.881 0.330 25810 3193 1 6 . 1 1 114 114 ARG N N 114 117.947 117.947 120.488 -2.541 25810 3194 1 6 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.164 0.083 25810 3195 1 6 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.599 -0.031 25810 3196 1 6 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.673 -0.284 25810 3197 1 6 . 1 1 114 114 ARG H H 114 7.974 7.974 8.480 -0.506 25810 3198 1 6 . 1 1 115 115 ALA N N 115 123.079 123.079 126.265 -3.186 25810 3199 1 6 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.501 -0.285 25810 3200 1 6 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.801 0.982 25810 3201 1 6 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.745 -0.830 25810 3202 1 6 . 1 1 115 115 ALA H H 115 7.969 7.969 8.568 -0.599 25810 3203 1 6 . 1 1 116 116 LYS N N 116 120.562 120.562 120.566 -0.004 25810 3204 1 6 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.470 -0.231 25810 3205 1 6 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.835 0.586 25810 3206 1 6 . 1 1 116 116 LYS CB C 116 33.373 33.373 33.511 -0.138 25810 3207 1 6 . 1 1 116 116 LYS H H 116 8.310 8.310 8.279 0.031 25810 3208 1 6 . 1 1 117 117 GLU N N 117 121.115 121.115 122.126 -1.011 25810 3209 1 6 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.226 0.033 25810 3210 1 6 . 1 1 117 117 GLU CA C 117 57.347 57.347 57.098 0.249 25810 3211 1 6 . 1 1 117 117 GLU CB C 117 30.037 30.037 28.215 1.822 25810 3212 1 6 . 1 1 117 117 GLU H H 117 8.646 8.646 8.667 -0.021 25810 3213 1 6 . 1 1 118 118 SER N N 118 115.616 115.616 116.768 -1.152 25810 3214 1 6 . 1 1 118 118 SER HA H 118 4.322 4.322 4.205 0.117 25810 3215 1 6 . 1 1 118 118 SER CA C 118 59.082 59.082 60.807 -1.725 25810 3216 1 6 . 1 1 118 118 SER CB C 118 63.624 63.624 63.402 0.222 25810 3217 1 6 . 1 1 118 118 SER H H 118 8.346 8.346 8.904 -0.558 25810 3218 1 6 . 1 1 119 119 LEU N N 119 122.984 122.984 119.020 3.964 25810 3219 1 6 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.438 -0.130 25810 3220 1 6 . 1 1 119 119 LEU CA C 119 55.503 55.503 55.346 0.157 25810 3221 1 6 . 1 1 119 119 LEU CB C 119 42.261 42.261 41.914 0.347 25810 3222 1 6 . 1 1 119 119 LEU H H 119 7.970 7.970 7.749 0.221 25810 3223 1 6 . 1 1 120 120 ASP N N 120 120.516 120.516 119.265 1.251 25810 3224 1 6 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.407 0.203 25810 3225 1 6 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.595 -0.143 25810 3226 1 6 . 1 1 120 120 ASP CB C 120 41.020 41.020 39.709 1.311 25810 3227 1 6 . 1 1 120 120 ASP H H 120 8.149 8.149 8.068 0.081 25810 3228 1 6 . 1 1 121 121 LEU N N 121 122.598 122.598 119.347 3.251 25810 3229 1 6 . 1 1 121 121 LEU HA H 121 4.275 4.275 3.774 0.501 25810 3230 1 6 . 1 1 121 121 LEU CA C 121 56.021 56.021 57.342 -1.321 25810 3231 1 6 . 1 1 121 121 LEU CB C 121 42.054 42.054 41.283 0.770 25810 3232 1 6 . 1 1 121 121 LEU H H 121 8.111 8.111 8.417 -0.306 25810 3233 1 6 . 1 1 122 122 ARG N N 122 119.425 119.425 120.948 -1.523 25810 3234 1 6 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.101 0.146 25810 3235 1 6 . 1 1 122 122 ARG CA C 122 56.615 56.615 57.665 -1.050 25810 3236 1 6 . 1 1 122 122 ARG CB C 122 30.436 30.436 29.863 0.573 25810 3237 1 6 . 1 1 122 122 ARG H H 122 8.131 8.131 8.397 -0.266 25810 3238 1 6 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.771 0.373 25810 3239 1 6 . 1 1 123 123 ALA CB C 123 19.123 19.123 18.146 0.977 25810 3240 1 6 . 1 1 124 124 HIS N N 124 117.075 117.075 118.343 -1.268 25810 3241 1 6 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.169 0.928 25810 3242 1 6 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.682 -0.257 25810 3243 1 6 . 1 1 124 124 HIS H H 124 8.185 8.185 8.246 -0.061 25810 3244 1 6 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.028 0.326 25810 3245 1 6 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.949 0.308 25810 3246 1 6 . 1 1 125 125 LEU CB C 125 42.301 42.301 41.293 1.008 25810 3247 1 7 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.294 0.283 25810 3248 1 7 . 1 1 -7 -7 GLY N N -7 108.818 108.818 104.538 4.280 25810 3249 1 7 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.381 0.803 25810 3250 1 7 . 1 1 -7 -7 GLY H H -7 8.330 8.330 7.680 0.650 25810 3251 1 7 . 1 1 0 0 ASP N N 0 115.716 115.716 117.250 -1.534 25810 3252 1 7 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.559 -0.071 25810 3253 1 7 . 1 1 0 0 ASP CA C 0 58.683 58.683 57.694 0.989 25810 3254 1 7 . 1 1 0 0 ASP CB C 0 63.996 63.996 62.654 1.343 25810 3255 1 7 . 1 1 0 0 ASP H H 0 8.155 8.155 7.970 0.185 25810 3256 1 7 . 1 1 1 1 MET N N 1 121.815 121.815 120.356 1.459 25810 3257 1 7 . 1 1 1 1 MET HA H 1 4.450 4.450 4.286 0.164 25810 3258 1 7 . 1 1 1 1 MET CA C 1 55.996 55.996 56.861 -0.865 25810 3259 1 7 . 1 1 1 1 MET CB C 1 32.334 32.334 31.754 0.580 25810 3260 1 7 . 1 1 1 1 MET H H 1 8.553 8.553 7.502 1.051 25810 3261 1 7 . 1 1 2 2 ASP N N 2 119.828 119.828 119.248 0.580 25810 3262 1 7 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.242 0.239 25810 3263 1 7 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.022 -0.899 25810 3264 1 7 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.553 1.558 25810 3265 1 7 . 1 1 3 3 ASP N N 3 119.912 119.912 119.816 0.096 25810 3266 1 7 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.454 0.022 25810 3267 1 7 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.828 -0.608 25810 3268 1 7 . 1 1 3 3 ASP CB C 3 40.942 40.942 41.063 -0.121 25810 3269 1 7 . 1 1 3 3 ASP H H 3 8.098 8.098 7.776 0.322 25810 3270 1 7 . 1 1 4 4 ILE N N 4 120.617 120.617 120.616 0.001 25810 3271 1 7 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.596 0.251 25810 3272 1 7 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.740 -0.902 25810 3273 1 7 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.944 -0.156 25810 3274 1 7 . 1 1 4 4 ILE H H 4 7.897 7.897 7.493 0.404 25810 3275 1 7 . 1 1 5 5 TYR N N 5 121.116 121.116 119.314 1.802 25810 3276 1 7 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.890 0.418 25810 3277 1 7 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.620 -2.369 25810 3278 1 7 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.812 -0.223 25810 3279 1 7 . 1 1 5 5 TYR H H 5 7.961 7.961 8.085 -0.124 25810 3280 1 7 . 1 1 6 6 LYS N N 6 120.005 120.005 118.752 1.253 25810 3281 1 7 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.922 0.001 25810 3282 1 7 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.484 0.060 25810 3283 1 7 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.322 0.033 25810 3284 1 7 . 1 1 6 6 LYS H H 6 8.008 8.008 7.817 0.191 25810 3285 1 7 . 1 1 7 7 ALA N N 7 120.589 120.589 121.773 -1.184 25810 3286 1 7 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.345 -0.191 25810 3287 1 7 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.713 -0.196 25810 3288 1 7 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.329 -0.243 25810 3289 1 7 . 1 1 7 7 ALA H H 7 7.816 7.816 7.859 -0.043 25810 3290 1 7 . 1 1 8 8 ALA N N 8 120.065 120.065 121.203 -1.138 25810 3291 1 7 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.923 0.231 25810 3292 1 7 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.972 -0.274 25810 3293 1 7 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.014 0.469 25810 3294 1 7 . 1 1 8 8 ALA H H 8 7.622 7.622 8.297 -0.675 25810 3295 1 7 . 1 1 9 9 VAL N N 9 118.101 118.101 118.425 -0.324 25810 3296 1 7 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.703 -0.144 25810 3297 1 7 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.528 -0.495 25810 3298 1 7 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.756 -0.074 25810 3299 1 7 . 1 1 9 9 VAL H H 9 7.974 7.974 7.553 0.421 25810 3300 1 7 . 1 1 10 10 GLU N N 10 118.217 118.217 118.409 -0.192 25810 3301 1 7 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.012 0.115 25810 3302 1 7 . 1 1 10 10 GLU CA C 10 58.269 58.269 59.017 -0.749 25810 3303 1 7 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.623 -0.059 25810 3304 1 7 . 1 1 10 10 GLU H H 10 7.682 7.682 7.620 0.062 25810 3305 1 7 . 1 1 11 11 GLN N N 11 114.903 114.903 116.437 -1.534 25810 3306 1 7 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.283 0.040 25810 3307 1 7 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.901 -1.248 25810 3308 1 7 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.904 -0.457 25810 3309 1 7 . 1 1 11 11 GLN H H 11 7.404 7.404 7.613 -0.209 25810 3310 1 7 . 1 1 12 12 LEU N N 12 120.467 120.467 122.784 -2.317 25810 3311 1 7 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.536 0.046 25810 3312 1 7 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.083 0.914 25810 3313 1 7 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.673 0.893 25810 3314 1 7 . 1 1 12 12 LEU H H 12 7.354 7.354 8.400 -1.046 25810 3315 1 7 . 1 1 13 13 THR N N 13 113.431 113.431 114.343 -0.912 25810 3316 1 7 . 1 1 13 13 THR HA H 13 4.462 4.462 4.486 -0.024 25810 3317 1 7 . 1 1 13 13 THR CA C 13 60.759 60.759 60.277 0.482 25810 3318 1 7 . 1 1 13 13 THR CB C 13 71.101 71.101 70.211 0.890 25810 3319 1 7 . 1 1 13 13 THR H H 13 8.844 8.844 8.285 0.559 25810 3320 1 7 . 1 1 14 14 GLU N N 14 121.790 121.790 119.984 1.806 25810 3321 1 7 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.005 -0.042 25810 3322 1 7 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.384 -0.510 25810 3323 1 7 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.434 -0.116 25810 3324 1 7 . 1 1 14 14 GLU H H 14 9.013 9.013 8.856 0.157 25810 3325 1 7 . 1 1 15 15 GLU N N 15 117.495 117.495 118.622 -1.127 25810 3326 1 7 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.069 -0.009 25810 3327 1 7 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.466 0.866 25810 3328 1 7 . 1 1 15 15 GLU CB C 15 29.176 29.176 28.943 0.233 25810 3329 1 7 . 1 1 15 15 GLU H H 15 8.653 8.653 8.206 0.447 25810 3330 1 7 . 1 1 16 16 GLN N N 16 119.205 119.205 118.211 0.994 25810 3331 1 7 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.090 -0.233 25810 3332 1 7 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.536 0.412 25810 3333 1 7 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.306 1.425 25810 3334 1 7 . 1 1 16 16 GLN H H 16 7.839 7.839 7.700 0.139 25810 3335 1 7 . 1 1 17 17 LYS N N 17 119.027 119.027 120.801 -1.774 25810 3336 1 7 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.136 -0.112 25810 3337 1 7 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.900 1.788 25810 3338 1 7 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.400 -0.344 25810 3339 1 7 . 1 1 17 17 LYS H H 17 8.539 8.539 7.809 0.730 25810 3340 1 7 . 1 1 18 18 ASN N N 18 117.428 117.428 117.809 -0.381 25810 3341 1 7 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.470 0.092 25810 3342 1 7 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.341 -0.168 25810 3343 1 7 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.321 -0.517 25810 3344 1 7 . 1 1 18 18 ASN H H 18 8.552 8.552 8.231 0.321 25810 3345 1 7 . 1 1 19 19 GLU N N 19 123.611 123.611 120.952 2.659 25810 3346 1 7 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.097 0.108 25810 3347 1 7 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.125 0.673 25810 3348 1 7 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.256 0.150 25810 3349 1 7 . 1 1 19 19 GLU H H 19 8.012 8.012 8.105 -0.093 25810 3350 1 7 . 1 1 20 20 PHE N N 20 117.357 117.357 120.729 -3.372 25810 3351 1 7 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.288 0.566 25810 3352 1 7 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.855 -0.122 25810 3353 1 7 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.701 -0.379 25810 3354 1 7 . 1 1 20 20 PHE H H 20 8.320 8.320 8.601 -0.281 25810 3355 1 7 . 1 1 21 21 LYS N N 21 122.064 122.064 119.447 2.617 25810 3356 1 7 . 1 1 21 21 LYS HA H 21 4.025 4.025 2.983 1.042 25810 3357 1 7 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.064 -0.390 25810 3358 1 7 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.147 -0.463 25810 3359 1 7 . 1 1 21 21 LYS H H 21 8.864 8.864 7.695 1.169 25810 3360 1 7 . 1 1 22 22 ALA N N 22 121.827 121.827 121.147 0.680 25810 3361 1 7 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.102 0.111 25810 3362 1 7 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.182 -0.451 25810 3363 1 7 . 1 1 22 22 ALA H H 22 8.009 8.009 8.091 -0.082 25810 3364 1 7 . 1 1 23 23 ALA N N 23 119.945 119.945 121.839 -1.894 25810 3365 1 7 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.135 -0.006 25810 3366 1 7 . 1 1 23 23 ALA CA C 23 55.339 55.339 55.214 0.125 25810 3367 1 7 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.639 0.347 25810 3368 1 7 . 1 1 23 23 ALA H H 23 8.178 8.178 8.702 -0.524 25810 3369 1 7 . 1 1 24 24 PHE N N 24 121.275 121.275 119.474 1.801 25810 3370 1 7 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.069 -0.531 25810 3371 1 7 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.656 0.757 25810 3372 1 7 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.290 0.451 25810 3373 1 7 . 1 1 24 24 PHE H H 24 8.925 8.925 8.530 0.395 25810 3374 1 7 . 1 1 25 25 ASP N N 25 117.407 117.407 119.406 -1.999 25810 3375 1 7 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.288 -0.024 25810 3376 1 7 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.401 -0.387 25810 3377 1 7 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.773 -0.876 25810 3378 1 7 . 1 1 25 25 ASP H H 25 8.714 8.714 8.022 0.692 25810 3379 1 7 . 1 1 26 26 ILE N N 26 119.320 119.320 119.373 -0.053 25810 3380 1 7 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.754 0.063 25810 3381 1 7 . 1 1 26 26 ILE CA C 26 63.414 63.414 63.801 -0.387 25810 3382 1 7 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.044 -0.601 25810 3383 1 7 . 1 1 26 26 ILE H H 26 7.337 7.337 7.477 -0.140 25810 3384 1 7 . 1 1 27 27 PHE N N 27 123.734 123.734 119.596 4.138 25810 3385 1 7 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.623 -1.047 25810 3386 1 7 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.621 1.997 25810 3387 1 7 . 1 1 27 27 PHE H H 27 8.139 8.139 8.330 -0.191 25810 3388 1 7 . 1 1 28 28 VAL N N 28 105.007 105.007 117.806 -12.799 25810 3389 1 7 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.554 0.529 25810 3390 1 7 . 1 1 28 28 VAL CA C 28 61.156 61.156 64.173 -3.017 25810 3391 1 7 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.882 -0.490 25810 3392 1 7 . 1 1 28 28 VAL H H 28 7.505 7.505 7.503 0.002 25810 3393 1 7 . 1 1 29 29 LEU N N 29 126.175 126.175 120.629 5.546 25810 3394 1 7 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.019 0.076 25810 3395 1 7 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.499 0.997 25810 3396 1 7 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.009 0.566 25810 3397 1 7 . 1 1 29 29 LEU H H 29 7.274 7.274 7.196 0.078 25810 3398 1 7 . 1 1 30 30 GLY N N 30 113.173 113.173 109.835 3.338 25810 3399 1 7 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.548 -0.008 25810 3400 1 7 . 1 1 30 30 GLY H H 30 8.950 8.950 8.663 0.287 25810 3401 1 7 . 1 1 31 31 ALA N N 31 124.109 124.109 123.585 0.524 25810 3402 1 7 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.561 -0.104 25810 3403 1 7 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.652 1.576 25810 3404 1 7 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.443 0.479 25810 3405 1 7 . 1 1 31 31 ALA H H 31 8.131 8.131 7.646 0.485 25810 3406 1 7 . 1 1 32 32 GLU N N 32 124.956 124.956 123.010 1.946 25810 3407 1 7 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.007 0.093 25810 3408 1 7 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.945 0.148 25810 3409 1 7 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.635 0.251 25810 3410 1 7 . 1 1 32 32 GLU H H 32 9.204 9.204 8.919 0.285 25810 3411 1 7 . 1 1 33 33 ASP N N 33 115.544 115.544 117.745 -2.201 25810 3412 1 7 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.503 0.262 25810 3413 1 7 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.769 -1.698 25810 3414 1 7 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.582 0.801 25810 3415 1 7 . 1 1 33 33 ASP H H 33 8.156 8.156 8.181 -0.025 25810 3416 1 7 . 1 1 34 34 GLY N N 34 105.580 105.580 106.791 -1.211 25810 3417 1 7 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.722 1.017 25810 3418 1 7 . 1 1 34 34 GLY H H 34 7.582 7.582 7.722 -0.140 25810 3419 1 7 . 1 1 35 35 SER N N 35 113.292 113.292 113.923 -0.631 25810 3420 1 7 . 1 1 35 35 SER HA H 35 4.960 4.960 4.617 0.343 25810 3421 1 7 . 1 1 35 35 SER CA C 35 57.390 57.390 56.283 1.107 25810 3422 1 7 . 1 1 35 35 SER CB C 35 66.240 66.240 65.748 0.492 25810 3423 1 7 . 1 1 35 35 SER H H 35 7.584 7.584 7.519 0.065 25810 3424 1 7 . 1 1 36 36 ILE N N 36 119.513 119.513 122.871 -3.358 25810 3425 1 7 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.237 -0.474 25810 3426 1 7 . 1 1 36 36 ILE CA C 36 63.288 63.288 61.565 1.723 25810 3427 1 7 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.651 1.954 25810 3428 1 7 . 1 1 36 36 ILE H H 36 9.028 9.028 8.398 0.630 25810 3429 1 7 . 1 1 37 37 SER N N 37 126.146 126.146 121.555 4.591 25810 3430 1 7 . 1 1 37 37 SER HA H 37 5.198 5.198 4.988 0.210 25810 3431 1 7 . 1 1 37 37 SER CA C 37 57.010 57.010 56.476 0.534 25810 3432 1 7 . 1 1 37 37 SER CB C 37 67.563 67.563 65.176 2.387 25810 3433 1 7 . 1 1 37 37 SER H H 37 9.571 9.571 8.443 1.128 25810 3434 1 7 . 1 1 38 38 THR N N 38 111.059 111.059 113.779 -2.720 25810 3435 1 7 . 1 1 38 38 THR HA H 38 4.514 4.514 4.067 0.447 25810 3436 1 7 . 1 1 38 38 THR CA C 38 66.653 66.653 65.584 1.069 25810 3437 1 7 . 1 1 38 38 THR CB C 38 68.362 68.362 68.640 -0.278 25810 3438 1 7 . 1 1 38 38 THR H H 38 8.794 8.794 8.499 0.295 25810 3439 1 7 . 1 1 39 39 LYS N N 39 123.369 123.369 121.015 2.354 25810 3440 1 7 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.130 -0.074 25810 3441 1 7 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.278 0.488 25810 3442 1 7 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.148 0.055 25810 3443 1 7 . 1 1 39 39 LYS H H 39 8.044 8.044 8.346 -0.302 25810 3444 1 7 . 1 1 40 40 GLU N N 40 119.970 119.970 118.512 1.458 25810 3445 1 7 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.102 0.072 25810 3446 1 7 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.393 1.879 25810 3447 1 7 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.210 0.982 25810 3448 1 7 . 1 1 40 40 GLU H H 40 7.714 7.714 8.299 -0.585 25810 3449 1 7 . 1 1 41 41 LEU N N 41 119.088 119.088 120.110 -1.022 25810 3450 1 7 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.196 0.053 25810 3451 1 7 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.184 0.687 25810 3452 1 7 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.909 0.327 25810 3453 1 7 . 1 1 41 41 LEU H H 41 8.375 8.375 7.960 0.415 25810 3454 1 7 . 1 1 42 42 GLY N N 42 106.311 106.311 105.828 0.483 25810 3455 1 7 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.022 1.209 25810 3456 1 7 . 1 1 42 42 GLY H H 42 8.581 8.581 8.062 0.519 25810 3457 1 7 . 1 1 43 43 LYS N N 43 120.717 120.717 121.855 -1.138 25810 3458 1 7 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.028 -0.057 25810 3459 1 7 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.429 0.611 25810 3460 1 7 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.399 -0.006 25810 3461 1 7 . 1 1 43 43 LYS H H 43 7.293 7.293 7.557 -0.264 25810 3462 1 7 . 1 1 44 44 VAL N N 44 119.884 119.884 119.494 0.390 25810 3463 1 7 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.747 -0.106 25810 3464 1 7 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.665 -0.221 25810 3465 1 7 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.737 0.319 25810 3466 1 7 . 1 1 44 44 VAL H H 44 7.560 7.560 7.602 -0.042 25810 3467 1 7 . 1 1 45 45 MET N N 45 117.256 117.256 118.788 -1.532 25810 3468 1 7 . 1 1 45 45 MET HA H 45 4.179 4.179 4.058 0.121 25810 3469 1 7 . 1 1 45 45 MET CA C 45 57.934 57.934 59.746 -1.812 25810 3470 1 7 . 1 1 45 45 MET CB C 45 31.407 31.407 32.459 -1.052 25810 3471 1 7 . 1 1 45 45 MET H H 45 8.575 8.575 7.666 0.909 25810 3472 1 7 . 1 1 46 46 ARG N N 46 118.652 118.652 119.753 -1.101 25810 3473 1 7 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.024 0.570 25810 3474 1 7 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.396 0.027 25810 3475 1 7 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.244 -0.384 25810 3476 1 7 . 1 1 46 46 ARG H H 46 8.080 8.080 8.589 -0.509 25810 3477 1 7 . 1 1 47 47 MET N N 47 122.632 122.632 118.541 4.091 25810 3478 1 7 . 1 1 47 47 MET HA H 47 4.179 4.179 4.153 0.026 25810 3479 1 7 . 1 1 47 47 MET CA C 47 59.178 59.178 58.405 0.773 25810 3480 1 7 . 1 1 47 47 MET CB C 47 32.669 32.669 32.674 -0.005 25810 3481 1 7 . 1 1 47 47 MET H H 47 7.864 7.864 8.042 -0.178 25810 3482 1 7 . 1 1 48 48 LEU N N 48 117.884 117.884 117.624 0.260 25810 3483 1 7 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.146 0.216 25810 3484 1 7 . 1 1 48 48 LEU CA C 48 54.538 54.538 56.346 -1.808 25810 3485 1 7 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.654 -0.835 25810 3486 1 7 . 1 1 48 48 LEU H H 48 7.485 7.485 7.667 -0.182 25810 3487 1 7 . 1 1 49 49 GLY N N 49 107.912 107.912 105.249 2.663 25810 3488 1 7 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.450 1.513 25810 3489 1 7 . 1 1 49 49 GLY H H 49 7.884 7.884 7.479 0.405 25810 3490 1 7 . 1 1 50 50 GLN N N 50 117.606 117.606 118.930 -1.324 25810 3491 1 7 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.579 -0.078 25810 3492 1 7 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.020 -0.629 25810 3493 1 7 . 1 1 50 50 GLN CB C 50 30.773 30.773 32.123 -1.350 25810 3494 1 7 . 1 1 50 50 GLN H H 50 8.096 8.096 7.970 0.126 25810 3495 1 7 . 1 1 51 51 ASN N N 51 116.663 116.663 118.468 -1.805 25810 3496 1 7 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.098 0.024 25810 3497 1 7 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.073 1.157 25810 3498 1 7 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.910 0.236 25810 3499 1 7 . 1 1 51 51 ASN H H 51 8.693 8.693 8.582 0.111 25810 3500 1 7 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.615 0.074 25810 3501 1 7 . 1 1 53 53 THR N N 53 113.865 113.865 110.147 3.718 25810 3502 1 7 . 1 1 53 53 THR H H 53 8.985 8.985 7.923 1.062 25810 3503 1 7 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.160 0.026 25810 3504 1 7 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.921 0.341 25810 3505 1 7 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.729 0.161 25810 3506 1 7 . 1 1 55 55 GLU N N 55 117.475 117.475 115.770 1.705 25810 3507 1 7 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.057 -0.013 25810 3508 1 7 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.712 0.903 25810 3509 1 7 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.866 -0.131 25810 3510 1 7 . 1 1 55 55 GLU H H 55 8.785 8.785 8.871 -0.086 25810 3511 1 7 . 1 1 56 56 GLU N N 56 121.699 121.699 119.908 1.791 25810 3512 1 7 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.125 -0.101 25810 3513 1 7 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.827 0.428 25810 3514 1 7 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.479 0.617 25810 3515 1 7 . 1 1 56 56 GLU H H 56 7.815 7.815 7.546 0.269 25810 3516 1 7 . 1 1 57 57 LEU N N 57 118.421 118.421 120.495 -2.074 25810 3517 1 7 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.027 -0.014 25810 3518 1 7 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.001 -1.439 25810 3519 1 7 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.601 1.131 25810 3520 1 7 . 1 1 57 57 LEU H H 57 8.246 8.246 8.724 -0.478 25810 3521 1 7 . 1 1 58 58 GLN N N 58 118.349 118.349 119.171 -0.822 25810 3522 1 7 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.894 -0.197 25810 3523 1 7 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.363 -1.026 25810 3524 1 7 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.421 0.147 25810 3525 1 7 . 1 1 58 58 GLN H H 58 8.003 8.003 8.358 -0.355 25810 3526 1 7 . 1 1 59 59 GLU N N 59 119.049 119.049 120.071 -1.022 25810 3527 1 7 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.120 -0.023 25810 3528 1 7 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.048 0.593 25810 3529 1 7 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.302 0.319 25810 3530 1 7 . 1 1 59 59 GLU H H 59 7.979 7.979 7.774 0.205 25810 3531 1 7 . 1 1 60 60 MET N N 60 117.492 117.492 120.183 -2.691 25810 3532 1 7 . 1 1 60 60 MET HA H 60 4.083 4.083 4.139 -0.056 25810 3533 1 7 . 1 1 60 60 MET CA C 60 59.764 59.764 59.263 0.501 25810 3534 1 7 . 1 1 60 60 MET CB C 60 34.533 34.533 32.790 1.743 25810 3535 1 7 . 1 1 60 60 MET H H 60 7.776 7.776 7.821 -0.045 25810 3536 1 7 . 1 1 61 61 ILE N N 61 118.035 118.035 120.049 -2.014 25810 3537 1 7 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.609 0.108 25810 3538 1 7 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.387 -2.274 25810 3539 1 7 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.843 -0.553 25810 3540 1 7 . 1 1 61 61 ILE H H 61 7.564 7.564 8.555 -0.991 25810 3541 1 7 . 1 1 62 62 ASP N N 62 119.355 119.355 119.414 -0.059 25810 3542 1 7 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.375 -0.028 25810 3543 1 7 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.343 0.333 25810 3544 1 7 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.034 0.318 25810 3545 1 7 . 1 1 62 62 ASP H H 62 8.801 8.801 7.931 0.870 25810 3546 1 7 . 1 1 63 63 GLU N N 63 116.439 116.439 119.330 -2.891 25810 3547 1 7 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.109 -0.046 25810 3548 1 7 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.587 0.234 25810 3549 1 7 . 1 1 63 63 GLU CB C 63 30.124 30.124 30.057 0.067 25810 3550 1 7 . 1 1 63 63 GLU H H 63 7.702 7.702 7.538 0.164 25810 3551 1 7 . 1 1 64 64 VAL N N 64 112.796 112.796 118.146 -5.350 25810 3552 1 7 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.774 0.420 25810 3553 1 7 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.167 -3.556 25810 3554 1 7 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.178 0.486 25810 3555 1 7 . 1 1 64 64 VAL H H 64 7.151 7.151 8.126 -0.975 25810 3556 1 7 . 1 1 65 65 ASP N N 65 121.138 121.138 119.537 1.601 25810 3557 1 7 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.365 0.145 25810 3558 1 7 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.568 -2.003 25810 3559 1 7 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.852 -0.835 25810 3560 1 7 . 1 1 65 65 ASP H H 65 7.866 7.866 8.028 -0.162 25810 3561 1 7 . 1 1 66 66 GLU N N 66 128.324 128.324 122.971 5.353 25810 3562 1 7 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.269 -0.075 25810 3563 1 7 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.071 0.381 25810 3564 1 7 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.262 0.851 25810 3565 1 7 . 1 1 66 66 GLU H H 66 8.187 8.187 8.567 -0.380 25810 3566 1 7 . 1 1 67 67 ASP N N 67 114.662 114.662 116.103 -1.441 25810 3567 1 7 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.812 -0.122 25810 3568 1 7 . 1 1 67 67 ASP CA C 67 52.760 52.760 54.145 -1.385 25810 3569 1 7 . 1 1 67 67 ASP CB C 67 40.354 40.354 41.634 -1.280 25810 3570 1 7 . 1 1 67 67 ASP H H 67 8.111 8.111 8.038 0.073 25810 3571 1 7 . 1 1 68 68 GLY N N 68 109.084 109.084 108.906 0.178 25810 3572 1 7 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.258 0.879 25810 3573 1 7 . 1 1 68 68 GLY H H 68 7.771 7.771 7.879 -0.108 25810 3574 1 7 . 1 1 69 69 SER N N 69 117.283 117.283 115.239 2.044 25810 3575 1 7 . 1 1 69 69 SER HA H 69 4.217 4.217 4.251 -0.034 25810 3576 1 7 . 1 1 69 69 SER CA C 69 60.270 60.270 59.211 1.059 25810 3577 1 7 . 1 1 69 69 SER CB C 69 64.648 64.648 63.444 1.204 25810 3578 1 7 . 1 1 69 69 SER H H 69 8.632 8.632 8.024 0.608 25810 3579 1 7 . 1 1 70 70 GLY N N 70 116.242 116.242 111.264 4.978 25810 3580 1 7 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.461 0.027 25810 3581 1 7 . 1 1 70 70 GLY H H 70 10.710 10.710 9.236 1.474 25810 3582 1 7 . 1 1 71 71 THR N N 71 106.843 106.843 111.669 -4.826 25810 3583 1 7 . 1 1 71 71 THR HA H 71 4.941 4.941 4.879 0.062 25810 3584 1 7 . 1 1 71 71 THR CA C 71 58.422 58.422 59.877 -1.455 25810 3585 1 7 . 1 1 71 71 THR CB C 71 73.822 73.822 72.806 1.016 25810 3586 1 7 . 1 1 71 71 THR H H 71 7.551 7.551 7.422 0.129 25810 3587 1 7 . 1 1 72 72 VAL N N 72 127.231 127.231 118.717 8.514 25810 3588 1 7 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.930 0.144 25810 3589 1 7 . 1 1 72 72 VAL CA C 72 61.797 61.797 60.040 1.757 25810 3590 1 7 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.228 0.697 25810 3591 1 7 . 1 1 72 72 VAL H H 72 9.690 9.690 8.464 1.226 25810 3592 1 7 . 1 1 73 73 ASP N N 73 129.232 129.232 127.963 1.269 25810 3593 1 7 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.786 0.306 25810 3594 1 7 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.953 -1.572 25810 3595 1 7 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.476 -0.436 25810 3596 1 7 . 1 1 73 73 ASP H H 73 8.828 8.828 8.742 0.086 25810 3597 1 7 . 1 1 74 74 PHE N N 74 118.313 118.313 121.134 -2.821 25810 3598 1 7 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.145 -0.864 25810 3599 1 7 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.484 -1.115 25810 3600 1 7 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.223 -0.633 25810 3601 1 7 . 1 1 74 74 PHE H H 74 8.496 8.496 8.708 -0.212 25810 3602 1 7 . 1 1 75 75 ASP N N 75 117.592 117.592 116.842 0.750 25810 3603 1 7 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.322 -0.398 25810 3604 1 7 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.283 0.574 25810 3605 1 7 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.252 0.732 25810 3606 1 7 . 1 1 75 75 ASP H H 75 7.708 7.708 9.002 -1.294 25810 3607 1 7 . 1 1 76 76 GLU N N 76 120.100 120.100 120.117 -0.017 25810 3608 1 7 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.042 -0.123 25810 3609 1 7 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.142 -0.732 25810 3610 1 7 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.309 0.918 25810 3611 1 7 . 1 1 76 76 GLU H H 76 8.267 8.267 8.376 -0.109 25810 3612 1 7 . 1 1 77 77 PHE N N 77 122.101 122.101 121.782 0.319 25810 3613 1 7 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.151 -0.460 25810 3614 1 7 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.490 -0.574 25810 3615 1 7 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.063 1.007 25810 3616 1 7 . 1 1 77 77 PHE H H 77 8.760 8.760 8.826 -0.066 25810 3617 1 7 . 1 1 78 78 LEU N N 78 120.110 120.110 119.157 0.953 25810 3618 1 7 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.250 -0.023 25810 3619 1 7 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.908 0.207 25810 3620 1 7 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.316 0.294 25810 3621 1 7 . 1 1 78 78 LEU H H 78 8.404 8.404 7.552 0.852 25810 3622 1 7 . 1 1 79 79 VAL N N 79 116.259 116.259 118.653 -2.394 25810 3623 1 7 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.269 -0.062 25810 3624 1 7 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.792 -0.163 25810 3625 1 7 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.633 -0.196 25810 3626 1 7 . 1 1 79 79 VAL H H 79 7.132 7.132 7.558 -0.426 25810 3627 1 7 . 1 1 80 80 MET N N 80 118.429 118.429 119.437 -1.008 25810 3628 1 7 . 1 1 80 80 MET HA H 80 3.810 3.810 3.912 -0.102 25810 3629 1 7 . 1 1 80 80 MET CA C 80 57.828 57.828 58.821 -0.993 25810 3630 1 7 . 1 1 80 80 MET CB C 80 31.114 31.114 32.588 -1.474 25810 3631 1 7 . 1 1 80 80 MET H H 80 7.191 7.191 8.021 -0.830 25810 3632 1 7 . 1 1 81 81 MET H H 81 8.104 8.104 7.519 0.585 25810 3633 1 7 . 1 1 86 86 LYS N N 86 118.058 118.058 122.362 -4.304 25810 3634 1 7 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.895 0.405 25810 3635 1 7 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.899 -2.501 25810 3636 1 7 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.591 0.255 25810 3637 1 7 . 1 1 86 86 LYS H H 86 7.750 7.750 8.107 -0.357 25810 3638 1 7 . 1 1 87 87 ASP N N 87 120.199 120.199 118.973 1.226 25810 3639 1 7 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.327 0.331 25810 3640 1 7 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.479 -2.362 25810 3641 1 7 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.325 1.051 25810 3642 1 7 . 1 1 87 87 ASP H H 87 8.102 8.102 7.995 0.107 25810 3643 1 7 . 1 1 88 88 ASP N N 88 121.497 121.497 118.774 2.723 25810 3644 1 7 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.362 0.328 25810 3645 1 7 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.924 -2.258 25810 3646 1 7 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.595 0.562 25810 3647 1 7 . 1 1 88 88 ASP H H 88 8.363 8.363 8.618 -0.255 25810 3648 1 7 . 1 1 89 89 SER N N 89 115.602 115.602 114.879 0.723 25810 3649 1 7 . 1 1 89 89 SER HA H 89 4.347 4.347 4.296 0.051 25810 3650 1 7 . 1 1 89 89 SER CA C 89 59.571 59.571 60.446 -0.875 25810 3651 1 7 . 1 1 89 89 SER CB C 89 63.999 63.999 63.402 0.597 25810 3652 1 7 . 1 1 89 89 SER H H 89 8.251 8.251 7.952 0.299 25810 3653 1 7 . 1 1 90 90 GLU N N 90 121.265 121.265 121.064 0.201 25810 3654 1 7 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.106 0.124 25810 3655 1 7 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.154 -0.102 25810 3656 1 7 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.112 -0.302 25810 3657 1 7 . 1 1 90 90 GLU H H 90 8.331 8.331 7.936 0.395 25810 3658 1 7 . 1 1 91 91 ASN N N 91 118.544 118.544 117.066 1.478 25810 3659 1 7 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.264 0.391 25810 3660 1 7 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.599 -0.138 25810 3661 1 7 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.020 2.188 25810 3662 1 7 . 1 1 91 91 ASN H H 91 8.131 8.131 8.280 -0.149 25810 3663 1 7 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.461 -0.468 25810 3664 1 7 . 1 1 95 95 GLN CA C 95 56.411 56.411 56.362 0.049 25810 3665 1 7 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.082 0.200 25810 3666 1 7 . 1 1 96 96 GLY N N 96 109.372 109.372 115.958 -6.586 25810 3667 1 7 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.207 0.481 25810 3668 1 7 . 1 1 96 96 GLY H H 96 8.110 8.110 8.601 -0.491 25810 3669 1 7 . 1 1 97 97 ARG N N 97 120.154 120.154 118.415 1.739 25810 3670 1 7 . 1 1 97 97 ARG HA H 97 4.467 4.467 3.931 0.536 25810 3671 1 7 . 1 1 97 97 ARG CA C 97 55.566 55.566 58.621 -3.055 25810 3672 1 7 . 1 1 97 97 ARG CB C 97 31.505 31.505 29.582 1.923 25810 3673 1 7 . 1 1 97 97 ARG H H 97 7.966 7.966 8.182 -0.216 25810 3674 1 7 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.103 0.039 25810 3675 1 7 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.618 -0.579 25810 3676 1 7 . 1 1 99 99 VAL CB C 99 30.875 30.875 33.079 -2.204 25810 3677 1 7 . 1 1 100 100 ARG N N 100 125.661 125.661 126.761 -1.100 25810 3678 1 7 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.358 0.143 25810 3679 1 7 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.241 -1.684 25810 3680 1 7 . 1 1 100 100 ARG H H 100 8.379 8.379 8.423 -0.044 25810 3681 1 7 . 1 1 102 102 SER HA H 102 4.356 4.356 4.724 -0.368 25810 3682 1 7 . 1 1 102 102 SER CA C 102 57.361 57.361 57.310 0.050 25810 3683 1 7 . 1 1 102 102 SER CB C 102 65.237 65.237 64.867 0.370 25810 3684 1 7 . 1 1 103 103 ALA N N 103 125.468 125.468 127.775 -2.307 25810 3685 1 7 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.040 -0.029 25810 3686 1 7 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.741 1.244 25810 3687 1 7 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.237 0.356 25810 3688 1 7 . 1 1 103 103 ALA H H 103 9.148 9.148 8.938 0.210 25810 3689 1 7 . 1 1 104 104 ASP N N 104 115.217 115.217 118.444 -3.227 25810 3690 1 7 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.371 -0.063 25810 3691 1 7 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.155 0.152 25810 3692 1 7 . 1 1 104 104 ASP CB C 104 40.978 40.978 39.988 0.990 25810 3693 1 7 . 1 1 104 104 ASP H H 104 8.517 8.517 8.717 -0.200 25810 3694 1 7 . 1 1 105 105 ALA N N 105 122.884 122.884 122.332 0.552 25810 3695 1 7 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.081 -0.001 25810 3696 1 7 . 1 1 105 105 ALA CA C 105 55.104 55.104 55.283 -0.179 25810 3697 1 7 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.315 0.022 25810 3698 1 7 . 1 1 105 105 ALA H H 105 7.953 7.953 7.614 0.339 25810 3699 1 7 . 1 1 106 106 MET N N 106 118.710 118.710 117.733 0.977 25810 3700 1 7 . 1 1 106 106 MET HA H 106 3.987 3.987 4.154 -0.167 25810 3701 1 7 . 1 1 106 106 MET CA C 106 59.704 59.704 58.881 0.823 25810 3702 1 7 . 1 1 106 106 MET CB C 106 33.450 33.450 32.222 1.228 25810 3703 1 7 . 1 1 106 106 MET H H 106 8.186 8.186 7.416 0.770 25810 3704 1 7 . 1 1 107 107 MET N N 107 116.864 116.864 120.681 -3.817 25810 3705 1 7 . 1 1 107 107 MET HA H 107 4.446 4.446 4.009 0.437 25810 3706 1 7 . 1 1 107 107 MET CA C 107 57.649 57.649 59.771 -2.122 25810 3707 1 7 . 1 1 107 107 MET CB C 107 31.359 31.359 32.455 -1.096 25810 3708 1 7 . 1 1 107 107 MET H H 107 8.483 8.483 7.864 0.619 25810 3709 1 7 . 1 1 108 108 GLN N N 108 117.959 117.959 118.325 -0.366 25810 3710 1 7 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.949 0.060 25810 3711 1 7 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.060 -0.074 25810 3712 1 7 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.502 0.019 25810 3713 1 7 . 1 1 108 108 GLN H H 108 8.359 8.359 8.056 0.303 25810 3714 1 7 . 1 1 109 109 ALA N N 109 121.657 121.657 122.854 -1.197 25810 3715 1 7 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.115 0.024 25810 3716 1 7 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.912 -0.147 25810 3717 1 7 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.416 0.023 25810 3718 1 7 . 1 1 109 109 ALA H H 109 7.855 7.855 7.877 -0.022 25810 3719 1 7 . 1 1 110 110 LEU N N 110 116.183 116.183 118.566 -2.383 25810 3720 1 7 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.024 0.101 25810 3721 1 7 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.180 0.252 25810 3722 1 7 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.097 0.534 25810 3723 1 7 . 1 1 110 110 LEU H H 110 7.933 7.933 8.035 -0.102 25810 3724 1 7 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.278 -0.668 25810 3725 1 7 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.114 0.778 25810 3726 1 7 . 1 1 112 112 GLY N N 112 109.198 109.198 108.366 0.832 25810 3727 1 7 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.431 0.636 25810 3728 1 7 . 1 1 112 112 GLY H H 112 7.928 7.928 8.299 -0.371 25810 3729 1 7 . 1 1 113 113 ALA N N 113 124.374 124.374 121.717 2.657 25810 3730 1 7 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.150 0.113 25810 3731 1 7 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.555 0.849 25810 3732 1 7 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.549 0.164 25810 3733 1 7 . 1 1 113 113 ALA H H 113 8.211 8.211 8.265 -0.054 25810 3734 1 7 . 1 1 114 114 ARG N N 114 117.947 117.947 119.367 -1.420 25810 3735 1 7 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.236 0.011 25810 3736 1 7 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.812 -0.244 25810 3737 1 7 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.637 -0.248 25810 3738 1 7 . 1 1 114 114 ARG H H 114 7.974 7.974 8.816 -0.842 25810 3739 1 7 . 1 1 115 115 ALA N N 115 123.079 123.079 121.145 1.934 25810 3740 1 7 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.625 -0.409 25810 3741 1 7 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.203 1.580 25810 3742 1 7 . 1 1 115 115 ALA CB C 115 18.915 18.915 21.573 -2.658 25810 3743 1 7 . 1 1 115 115 ALA H H 115 7.969 7.969 7.621 0.348 25810 3744 1 7 . 1 1 116 116 LYS N N 116 120.562 120.562 119.113 1.449 25810 3745 1 7 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.524 -0.285 25810 3746 1 7 . 1 1 116 116 LYS CA C 116 57.421 57.421 55.751 1.670 25810 3747 1 7 . 1 1 116 116 LYS CB C 116 33.373 33.373 34.115 -0.743 25810 3748 1 7 . 1 1 116 116 LYS H H 116 8.310 8.310 8.195 0.115 25810 3749 1 7 . 1 1 117 117 GLU N N 117 121.115 121.115 119.023 2.092 25810 3750 1 7 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.023 0.236 25810 3751 1 7 . 1 1 117 117 GLU CA C 117 57.347 57.347 57.543 -0.196 25810 3752 1 7 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.667 0.370 25810 3753 1 7 . 1 1 117 117 GLU H H 117 8.646 8.646 8.976 -0.330 25810 3754 1 7 . 1 1 118 118 SER N N 118 115.616 115.616 113.423 2.193 25810 3755 1 7 . 1 1 118 118 SER HA H 118 4.322 4.322 4.346 -0.024 25810 3756 1 7 . 1 1 118 118 SER CA C 118 59.082 59.082 59.994 -0.912 25810 3757 1 7 . 1 1 118 118 SER CB C 118 63.624 63.624 63.061 0.563 25810 3758 1 7 . 1 1 118 118 SER H H 118 8.346 8.346 8.199 0.147 25810 3759 1 7 . 1 1 119 119 LEU N N 119 122.984 122.984 123.517 -0.533 25810 3760 1 7 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.460 -0.152 25810 3761 1 7 . 1 1 119 119 LEU CA C 119 55.503 55.503 54.690 0.813 25810 3762 1 7 . 1 1 119 119 LEU CB C 119 42.261 42.261 41.276 0.985 25810 3763 1 7 . 1 1 119 119 LEU H H 119 7.970 7.970 7.738 0.232 25810 3764 1 7 . 1 1 120 120 ASP N N 120 120.516 120.516 120.880 -0.364 25810 3765 1 7 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.540 0.070 25810 3766 1 7 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.169 -0.717 25810 3767 1 7 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.439 -0.419 25810 3768 1 7 . 1 1 120 120 ASP H H 120 8.149 8.149 7.656 0.493 25810 3769 1 7 . 1 1 121 121 LEU N N 121 122.598 122.598 125.270 -2.672 25810 3770 1 7 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.443 -0.168 25810 3771 1 7 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.581 0.440 25810 3772 1 7 . 1 1 121 121 LEU CB C 121 42.054 42.054 43.394 -1.340 25810 3773 1 7 . 1 1 121 121 LEU H H 121 8.111 8.111 8.219 -0.108 25810 3774 1 7 . 1 1 122 122 ARG N N 122 119.425 119.425 120.697 -1.272 25810 3775 1 7 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.555 -0.308 25810 3776 1 7 . 1 1 122 122 ARG CA C 122 56.615 56.615 55.262 1.353 25810 3777 1 7 . 1 1 122 122 ARG CB C 122 30.436 30.436 29.285 1.151 25810 3778 1 7 . 1 1 122 122 ARG H H 122 8.131 8.131 8.229 -0.098 25810 3779 1 7 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.363 1.781 25810 3780 1 7 . 1 1 123 123 ALA CB C 123 19.123 19.123 20.857 -1.734 25810 3781 1 7 . 1 1 124 124 HIS N N 124 117.075 117.075 118.117 -1.042 25810 3782 1 7 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.968 -0.871 25810 3783 1 7 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.209 0.216 25810 3784 1 7 . 1 1 124 124 HIS H H 124 8.185 8.185 8.016 0.169 25810 3785 1 7 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.384 -0.030 25810 3786 1 7 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.582 -0.325 25810 3787 1 7 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.433 -0.132 25810 3788 1 8 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.395 0.181 25810 3789 1 8 . 1 1 -7 -7 GLY N N -7 108.818 108.818 113.635 -4.817 25810 3790 1 8 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.512 -0.328 25810 3791 1 8 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.294 0.036 25810 3792 1 8 . 1 1 0 0 ASP N N 0 115.716 115.716 120.054 -4.338 25810 3793 1 8 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.556 -0.068 25810 3794 1 8 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.280 0.403 25810 3795 1 8 . 1 1 0 0 ASP CB C 0 63.996 63.996 65.204 -1.208 25810 3796 1 8 . 1 1 0 0 ASP H H 0 8.155 8.155 8.346 -0.191 25810 3797 1 8 . 1 1 1 1 MET N N 1 121.815 121.815 124.108 -2.293 25810 3798 1 8 . 1 1 1 1 MET HA H 1 4.450 4.450 4.154 0.296 25810 3799 1 8 . 1 1 1 1 MET CA C 1 55.996 55.996 57.704 -1.708 25810 3800 1 8 . 1 1 1 1 MET CB C 1 32.334 32.334 32.749 -0.415 25810 3801 1 8 . 1 1 1 1 MET H H 1 8.553 8.553 8.677 -0.124 25810 3802 1 8 . 1 1 2 2 ASP N N 2 119.828 119.828 120.306 -0.478 25810 3803 1 8 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.261 0.220 25810 3804 1 8 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.352 -1.230 25810 3805 1 8 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.432 0.679 25810 3806 1 8 . 1 1 3 3 ASP N N 3 119.912 119.912 120.089 -0.177 25810 3807 1 8 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.361 0.115 25810 3808 1 8 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.554 -0.334 25810 3809 1 8 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.649 0.293 25810 3810 1 8 . 1 1 3 3 ASP H H 3 8.098 8.098 7.488 0.610 25810 3811 1 8 . 1 1 4 4 ILE N N 4 120.617 120.617 119.238 1.379 25810 3812 1 8 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.579 0.268 25810 3813 1 8 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.932 -1.095 25810 3814 1 8 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.640 0.148 25810 3815 1 8 . 1 1 4 4 ILE H H 4 7.897 7.897 7.191 0.706 25810 3816 1 8 . 1 1 5 5 TYR N N 5 121.116 121.116 117.273 3.843 25810 3817 1 8 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.165 0.143 25810 3818 1 8 . 1 1 5 5 TYR CA C 5 60.251 60.251 59.114 1.137 25810 3819 1 8 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.034 0.555 25810 3820 1 8 . 1 1 5 5 TYR H H 5 7.961 7.961 6.701 1.260 25810 3821 1 8 . 1 1 6 6 LYS N N 6 120.005 120.005 120.740 -0.735 25810 3822 1 8 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.859 0.064 25810 3823 1 8 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.778 -0.234 25810 3824 1 8 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.275 0.080 25810 3825 1 8 . 1 1 6 6 LYS H H 6 8.008 8.008 7.816 0.192 25810 3826 1 8 . 1 1 7 7 ALA N N 7 120.589 120.589 120.894 -0.305 25810 3827 1 8 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.140 0.014 25810 3828 1 8 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.835 -0.318 25810 3829 1 8 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.051 0.035 25810 3830 1 8 . 1 1 7 7 ALA H H 7 7.816 7.816 8.002 -0.186 25810 3831 1 8 . 1 1 8 8 ALA N N 8 120.065 120.065 122.123 -2.058 25810 3832 1 8 . 1 1 8 8 ALA HA H 8 4.154 4.154 4.076 0.078 25810 3833 1 8 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.201 -0.503 25810 3834 1 8 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.298 0.185 25810 3835 1 8 . 1 1 8 8 ALA H H 8 7.622 7.622 7.801 -0.179 25810 3836 1 8 . 1 1 9 9 VAL N N 9 118.101 118.101 117.333 0.768 25810 3837 1 8 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.829 -0.270 25810 3838 1 8 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.315 0.719 25810 3839 1 8 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.324 0.358 25810 3840 1 8 . 1 1 9 9 VAL H H 9 7.974 7.974 7.905 0.069 25810 3841 1 8 . 1 1 10 10 GLU N N 10 118.217 118.217 121.950 -3.733 25810 3842 1 8 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.144 -0.017 25810 3843 1 8 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.759 -0.490 25810 3844 1 8 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.729 -0.165 25810 3845 1 8 . 1 1 10 10 GLU H H 10 7.682 7.682 8.135 -0.453 25810 3846 1 8 . 1 1 11 11 GLN N N 11 114.903 114.903 117.003 -2.100 25810 3847 1 8 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.399 -0.076 25810 3848 1 8 . 1 1 11 11 GLN CA C 11 55.652 55.652 54.794 0.858 25810 3849 1 8 . 1 1 11 11 GLN CB C 11 29.447 29.447 28.939 0.508 25810 3850 1 8 . 1 1 11 11 GLN H H 11 7.404 7.404 8.000 -0.596 25810 3851 1 8 . 1 1 12 12 LEU N N 12 120.467 120.467 118.335 2.132 25810 3852 1 8 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.183 0.399 25810 3853 1 8 . 1 1 12 12 LEU CA C 12 54.997 54.997 56.614 -1.617 25810 3854 1 8 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.177 1.389 25810 3855 1 8 . 1 1 12 12 LEU H H 12 7.354 7.354 7.248 0.106 25810 3856 1 8 . 1 1 13 13 THR N N 13 113.431 113.431 110.088 3.343 25810 3857 1 8 . 1 1 13 13 THR HA H 13 4.462 4.462 4.624 -0.162 25810 3858 1 8 . 1 1 13 13 THR CA C 13 60.759 60.759 60.003 0.756 25810 3859 1 8 . 1 1 13 13 THR CB C 13 71.101 71.101 71.608 -0.507 25810 3860 1 8 . 1 1 13 13 THR H H 13 8.844 8.844 7.942 0.902 25810 3861 1 8 . 1 1 14 14 GLU N N 14 121.790 121.790 121.184 0.606 25810 3862 1 8 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.074 -0.111 25810 3863 1 8 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.197 -0.323 25810 3864 1 8 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.359 -0.041 25810 3865 1 8 . 1 1 14 14 GLU H H 14 9.013 9.013 8.951 0.062 25810 3866 1 8 . 1 1 15 15 GLU N N 15 117.495 117.495 119.754 -2.259 25810 3867 1 8 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.069 -0.009 25810 3868 1 8 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.322 1.010 25810 3869 1 8 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.067 0.109 25810 3870 1 8 . 1 1 15 15 GLU H H 15 8.653 8.653 8.571 0.082 25810 3871 1 8 . 1 1 16 16 GLN N N 16 119.205 119.205 119.218 -0.013 25810 3872 1 8 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.217 -0.360 25810 3873 1 8 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.839 0.109 25810 3874 1 8 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.732 0.999 25810 3875 1 8 . 1 1 16 16 GLN H H 16 7.839 7.839 7.563 0.276 25810 3876 1 8 . 1 1 17 17 LYS N N 17 119.027 119.027 119.272 -0.245 25810 3877 1 8 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.133 -0.109 25810 3878 1 8 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.148 2.540 25810 3879 1 8 . 1 1 17 17 LYS CB C 17 32.056 32.056 31.994 0.062 25810 3880 1 8 . 1 1 17 17 LYS H H 17 8.539 8.539 7.795 0.744 25810 3881 1 8 . 1 1 18 18 ASN N N 18 117.428 117.428 118.848 -1.420 25810 3882 1 8 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.504 0.058 25810 3883 1 8 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.482 -0.309 25810 3884 1 8 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.272 -0.467 25810 3885 1 8 . 1 1 18 18 ASN H H 18 8.552 8.552 8.094 0.458 25810 3886 1 8 . 1 1 19 19 GLU N N 19 123.611 123.611 120.207 3.404 25810 3887 1 8 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.104 0.101 25810 3888 1 8 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.674 0.124 25810 3889 1 8 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.431 -0.025 25810 3890 1 8 . 1 1 19 19 GLU H H 19 8.012 8.012 7.830 0.182 25810 3891 1 8 . 1 1 20 20 PHE N N 20 117.357 117.357 122.211 -4.854 25810 3892 1 8 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.115 0.739 25810 3893 1 8 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.318 -0.585 25810 3894 1 8 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.309 -0.987 25810 3895 1 8 . 1 1 20 20 PHE H H 20 8.320 8.320 8.392 -0.072 25810 3896 1 8 . 1 1 21 21 LYS N N 21 122.064 122.064 118.317 3.747 25810 3897 1 8 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.843 0.182 25810 3898 1 8 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.141 -0.466 25810 3899 1 8 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.944 -0.260 25810 3900 1 8 . 1 1 21 21 LYS H H 21 8.864 8.864 8.636 0.228 25810 3901 1 8 . 1 1 22 22 ALA N N 22 121.827 121.827 121.433 0.394 25810 3902 1 8 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.126 0.087 25810 3903 1 8 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.281 -0.550 25810 3904 1 8 . 1 1 22 22 ALA H H 22 8.009 8.009 7.718 0.291 25810 3905 1 8 . 1 1 23 23 ALA N N 23 119.945 119.945 121.512 -1.567 25810 3906 1 8 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.083 0.046 25810 3907 1 8 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.793 0.546 25810 3908 1 8 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.159 0.827 25810 3909 1 8 . 1 1 23 23 ALA H H 23 8.178 8.178 7.998 0.180 25810 3910 1 8 . 1 1 24 24 PHE N N 24 121.275 121.275 118.004 3.271 25810 3911 1 8 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.852 -0.314 25810 3912 1 8 . 1 1 24 24 PHE CA C 24 62.413 62.413 60.857 1.556 25810 3913 1 8 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.676 1.065 25810 3914 1 8 . 1 1 24 24 PHE H H 24 8.925 8.925 7.742 1.183 25810 3915 1 8 . 1 1 25 25 ASP N N 25 117.407 117.407 119.886 -2.479 25810 3916 1 8 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.403 -0.139 25810 3917 1 8 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.462 -0.448 25810 3918 1 8 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.526 -0.629 25810 3919 1 8 . 1 1 25 25 ASP H H 25 8.714 8.714 8.093 0.621 25810 3920 1 8 . 1 1 26 26 ILE N N 26 119.320 119.320 114.353 4.967 25810 3921 1 8 . 1 1 26 26 ILE HA H 26 3.817 3.817 4.030 -0.213 25810 3922 1 8 . 1 1 26 26 ILE CA C 26 63.414 63.414 63.814 -0.400 25810 3923 1 8 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.054 -0.612 25810 3924 1 8 . 1 1 26 26 ILE H H 26 7.337 7.337 7.580 -0.243 25810 3925 1 8 . 1 1 27 27 PHE N N 27 123.734 123.734 120.083 3.651 25810 3926 1 8 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.579 -1.003 25810 3927 1 8 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.603 1.015 25810 3928 1 8 . 1 1 27 27 PHE H H 27 8.139 8.139 7.716 0.423 25810 3929 1 8 . 1 1 28 28 VAL N N 28 105.007 105.007 111.667 -6.660 25810 3930 1 8 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.009 0.074 25810 3931 1 8 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.247 -2.091 25810 3932 1 8 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.779 -0.387 25810 3933 1 8 . 1 1 28 28 VAL H H 28 7.505 7.505 7.927 -0.422 25810 3934 1 8 . 1 1 29 29 LEU N N 29 126.175 126.175 123.270 2.905 25810 3935 1 8 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.169 -0.074 25810 3936 1 8 . 1 1 29 29 LEU CA C 29 57.496 57.496 55.222 2.273 25810 3937 1 8 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.309 0.266 25810 3938 1 8 . 1 1 29 29 LEU H H 29 7.274 7.274 7.148 0.126 25810 3939 1 8 . 1 1 30 30 GLY N N 30 113.173 113.173 111.707 1.466 25810 3940 1 8 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.120 0.421 25810 3941 1 8 . 1 1 30 30 GLY H H 30 8.950 8.950 8.328 0.622 25810 3942 1 8 . 1 1 31 31 ALA N N 31 124.109 124.109 122.347 1.762 25810 3943 1 8 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.619 -0.162 25810 3944 1 8 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.948 1.280 25810 3945 1 8 . 1 1 31 31 ALA CB C 31 19.922 19.922 20.062 -0.140 25810 3946 1 8 . 1 1 31 31 ALA H H 31 8.131 8.131 7.386 0.745 25810 3947 1 8 . 1 1 32 32 GLU N N 32 124.956 124.956 124.608 0.348 25810 3948 1 8 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.068 0.032 25810 3949 1 8 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.947 0.146 25810 3950 1 8 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.632 0.254 25810 3951 1 8 . 1 1 32 32 GLU H H 32 9.204 9.204 9.018 0.186 25810 3952 1 8 . 1 1 33 33 ASP N N 33 115.544 115.544 118.368 -2.824 25810 3953 1 8 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.511 0.254 25810 3954 1 8 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.715 -1.644 25810 3955 1 8 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.023 0.360 25810 3956 1 8 . 1 1 33 33 ASP H H 33 8.156 8.156 8.289 -0.133 25810 3957 1 8 . 1 1 34 34 GLY N N 34 105.580 105.580 105.155 0.425 25810 3958 1 8 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.577 1.162 25810 3959 1 8 . 1 1 34 34 GLY H H 34 7.582 7.582 8.694 -1.112 25810 3960 1 8 . 1 1 35 35 SER N N 35 113.292 113.292 114.026 -0.734 25810 3961 1 8 . 1 1 35 35 SER HA H 35 4.960 4.960 4.862 0.098 25810 3962 1 8 . 1 1 35 35 SER CA C 35 57.390 57.390 56.272 1.118 25810 3963 1 8 . 1 1 35 35 SER CB C 35 66.240 66.240 65.265 0.975 25810 3964 1 8 . 1 1 35 35 SER H H 35 7.584 7.584 7.416 0.168 25810 3965 1 8 . 1 1 36 36 ILE N N 36 119.513 119.513 122.387 -2.874 25810 3966 1 8 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.395 -0.632 25810 3967 1 8 . 1 1 36 36 ILE CA C 36 63.288 63.288 60.670 2.618 25810 3968 1 8 . 1 1 36 36 ILE CB C 36 39.605 39.605 36.303 3.302 25810 3969 1 8 . 1 1 36 36 ILE H H 36 9.028 9.028 8.671 0.357 25810 3970 1 8 . 1 1 37 37 SER N N 37 126.146 126.146 120.074 6.072 25810 3971 1 8 . 1 1 37 37 SER HA H 37 5.198 5.198 4.829 0.369 25810 3972 1 8 . 1 1 37 37 SER CA C 37 57.010 57.010 56.599 0.411 25810 3973 1 8 . 1 1 37 37 SER CB C 37 67.563 67.563 64.834 2.729 25810 3974 1 8 . 1 1 37 37 SER H H 37 9.571 9.571 8.240 1.331 25810 3975 1 8 . 1 1 38 38 THR N N 38 111.059 111.059 115.617 -4.558 25810 3976 1 8 . 1 1 38 38 THR HA H 38 4.514 4.514 4.137 0.377 25810 3977 1 8 . 1 1 38 38 THR CA C 38 66.653 66.653 66.144 0.509 25810 3978 1 8 . 1 1 38 38 THR CB C 38 68.362 68.362 68.772 -0.410 25810 3979 1 8 . 1 1 38 38 THR H H 38 8.794 8.794 8.669 0.125 25810 3980 1 8 . 1 1 39 39 LYS N N 39 123.369 123.369 121.621 1.748 25810 3981 1 8 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.002 0.054 25810 3982 1 8 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.688 0.078 25810 3983 1 8 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.270 -0.067 25810 3984 1 8 . 1 1 39 39 LYS H H 39 8.044 8.044 8.177 -0.133 25810 3985 1 8 . 1 1 40 40 GLU N N 40 119.970 119.970 119.603 0.367 25810 3986 1 8 . 1 1 40 40 GLU HA H 40 4.174 4.174 3.907 0.267 25810 3987 1 8 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.658 1.614 25810 3988 1 8 . 1 1 40 40 GLU CB C 40 30.192 30.192 28.982 1.210 25810 3989 1 8 . 1 1 40 40 GLU H H 40 7.714 7.714 8.374 -0.660 25810 3990 1 8 . 1 1 41 41 LEU N N 41 119.088 119.088 120.594 -1.506 25810 3991 1 8 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.081 0.168 25810 3992 1 8 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.771 0.100 25810 3993 1 8 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.931 0.305 25810 3994 1 8 . 1 1 41 41 LEU H H 41 8.375 8.375 7.699 0.676 25810 3995 1 8 . 1 1 42 42 GLY N N 42 106.311 106.311 106.680 -0.369 25810 3996 1 8 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.099 1.131 25810 3997 1 8 . 1 1 42 42 GLY H H 42 8.581 8.581 8.455 0.126 25810 3998 1 8 . 1 1 43 43 LYS N N 43 120.717 120.717 122.690 -1.973 25810 3999 1 8 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.964 0.007 25810 4000 1 8 . 1 1 43 43 LYS CA C 43 60.040 60.040 58.953 1.087 25810 4001 1 8 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.163 0.230 25810 4002 1 8 . 1 1 43 43 LYS H H 43 7.293 7.293 7.947 -0.654 25810 4003 1 8 . 1 1 44 44 VAL N N 44 119.884 119.884 119.936 -0.052 25810 4004 1 8 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.673 -0.032 25810 4005 1 8 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.099 0.345 25810 4006 1 8 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.407 0.649 25810 4007 1 8 . 1 1 44 44 VAL H H 44 7.560 7.560 7.519 0.041 25810 4008 1 8 . 1 1 45 45 MET N N 45 117.256 117.256 118.362 -1.106 25810 4009 1 8 . 1 1 45 45 MET HA H 45 4.179 4.179 4.191 -0.012 25810 4010 1 8 . 1 1 45 45 MET CA C 45 57.934 57.934 57.334 0.600 25810 4011 1 8 . 1 1 45 45 MET CB C 45 31.407 31.407 31.557 -0.150 25810 4012 1 8 . 1 1 45 45 MET H H 45 8.575 8.575 7.752 0.823 25810 4013 1 8 . 1 1 46 46 ARG N N 46 118.652 118.652 120.144 -1.492 25810 4014 1 8 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.350 0.244 25810 4015 1 8 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.310 0.113 25810 4016 1 8 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.336 -0.476 25810 4017 1 8 . 1 1 46 46 ARG H H 46 8.080 8.080 8.610 -0.530 25810 4018 1 8 . 1 1 47 47 MET N N 47 122.632 122.632 119.326 3.306 25810 4019 1 8 . 1 1 47 47 MET HA H 47 4.179 4.179 4.259 -0.080 25810 4020 1 8 . 1 1 47 47 MET CA C 47 59.178 59.178 58.557 0.621 25810 4021 1 8 . 1 1 47 47 MET CB C 47 32.669 32.669 32.582 0.087 25810 4022 1 8 . 1 1 47 47 MET H H 47 7.864 7.864 8.062 -0.198 25810 4023 1 8 . 1 1 48 48 LEU N N 48 117.884 117.884 118.502 -0.618 25810 4024 1 8 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.314 0.048 25810 4025 1 8 . 1 1 48 48 LEU CA C 48 54.538 54.538 54.876 -0.338 25810 4026 1 8 . 1 1 48 48 LEU CB C 48 41.818 41.818 41.054 0.764 25810 4027 1 8 . 1 1 48 48 LEU H H 48 7.485 7.485 7.582 -0.097 25810 4028 1 8 . 1 1 49 49 GLY N N 49 107.912 107.912 106.300 1.612 25810 4029 1 8 . 1 1 49 49 GLY CA C 49 45.963 45.963 45.002 0.961 25810 4030 1 8 . 1 1 49 49 GLY H H 49 7.884 7.884 7.544 0.340 25810 4031 1 8 . 1 1 50 50 GLN N N 50 117.606 117.606 119.706 -2.100 25810 4032 1 8 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.455 0.046 25810 4033 1 8 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.696 -1.304 25810 4034 1 8 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.718 0.055 25810 4035 1 8 . 1 1 50 50 GLN H H 50 8.096 8.096 8.055 0.041 25810 4036 1 8 . 1 1 51 51 ASN N N 51 116.663 116.663 119.618 -2.955 25810 4037 1 8 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.034 0.088 25810 4038 1 8 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.077 1.153 25810 4039 1 8 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.863 0.283 25810 4040 1 8 . 1 1 51 51 ASN H H 51 8.693 8.693 8.640 0.053 25810 4041 1 8 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.600 0.089 25810 4042 1 8 . 1 1 53 53 THR N N 53 113.865 113.865 114.090 -0.225 25810 4043 1 8 . 1 1 53 53 THR H H 53 8.985 8.985 8.173 0.812 25810 4044 1 8 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.205 -0.019 25810 4045 1 8 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.580 0.682 25810 4046 1 8 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.712 0.178 25810 4047 1 8 . 1 1 55 55 GLU N N 55 117.475 117.475 118.015 -0.540 25810 4048 1 8 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.059 -0.015 25810 4049 1 8 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.578 1.037 25810 4050 1 8 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.416 0.319 25810 4051 1 8 . 1 1 55 55 GLU H H 55 8.785 8.785 8.998 -0.213 25810 4052 1 8 . 1 1 56 56 GLU N N 56 121.699 121.699 120.699 1.000 25810 4053 1 8 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.126 -0.102 25810 4054 1 8 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.797 0.458 25810 4055 1 8 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.480 0.617 25810 4056 1 8 . 1 1 56 56 GLU H H 56 7.815 7.815 7.470 0.345 25810 4057 1 8 . 1 1 57 57 LEU N N 57 118.421 118.421 119.877 -1.456 25810 4058 1 8 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.926 0.087 25810 4059 1 8 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.910 -1.348 25810 4060 1 8 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.691 1.041 25810 4061 1 8 . 1 1 57 57 LEU H H 57 8.246 8.246 7.615 0.631 25810 4062 1 8 . 1 1 58 58 GLN N N 58 118.349 118.349 118.572 -0.223 25810 4063 1 8 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.965 -0.268 25810 4064 1 8 . 1 1 58 58 GLN CA C 58 58.337 58.337 58.588 -0.251 25810 4065 1 8 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.129 0.439 25810 4066 1 8 . 1 1 58 58 GLN H H 58 8.003 8.003 7.857 0.146 25810 4067 1 8 . 1 1 59 59 GLU N N 59 119.049 119.049 120.570 -1.521 25810 4068 1 8 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.006 0.091 25810 4069 1 8 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.188 0.452 25810 4070 1 8 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.538 0.083 25810 4071 1 8 . 1 1 59 59 GLU H H 59 7.979 7.979 7.786 0.193 25810 4072 1 8 . 1 1 60 60 MET N N 60 117.492 117.492 119.689 -2.197 25810 4073 1 8 . 1 1 60 60 MET HA H 60 4.083 4.083 4.185 -0.102 25810 4074 1 8 . 1 1 60 60 MET CA C 60 59.764 59.764 57.861 1.903 25810 4075 1 8 . 1 1 60 60 MET CB C 60 34.533 34.533 32.477 2.056 25810 4076 1 8 . 1 1 60 60 MET H H 60 7.776 7.776 8.189 -0.413 25810 4077 1 8 . 1 1 61 61 ILE N N 61 118.035 118.035 120.352 -2.317 25810 4078 1 8 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.576 0.141 25810 4079 1 8 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.377 -2.264 25810 4080 1 8 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.721 -0.431 25810 4081 1 8 . 1 1 61 61 ILE H H 61 7.564 7.564 7.910 -0.346 25810 4082 1 8 . 1 1 62 62 ASP N N 62 119.355 119.355 119.410 -0.055 25810 4083 1 8 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.376 -0.029 25810 4084 1 8 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.274 0.402 25810 4085 1 8 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.073 0.279 25810 4086 1 8 . 1 1 62 62 ASP H H 62 8.801 8.801 8.068 0.733 25810 4087 1 8 . 1 1 63 63 GLU N N 63 116.439 116.439 119.681 -3.242 25810 4088 1 8 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.057 0.006 25810 4089 1 8 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.824 -0.003 25810 4090 1 8 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.951 0.173 25810 4091 1 8 . 1 1 63 63 GLU H H 63 7.702 7.702 7.776 -0.074 25810 4092 1 8 . 1 1 64 64 VAL N N 64 112.796 112.796 117.627 -4.831 25810 4093 1 8 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.742 0.452 25810 4094 1 8 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.249 -3.638 25810 4095 1 8 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.090 0.574 25810 4096 1 8 . 1 1 64 64 VAL H H 64 7.151 7.151 8.014 -0.863 25810 4097 1 8 . 1 1 65 65 ASP N N 65 121.138 121.138 118.708 2.430 25810 4098 1 8 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.391 0.119 25810 4099 1 8 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.530 -1.965 25810 4100 1 8 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.783 -0.766 25810 4101 1 8 . 1 1 65 65 ASP H H 65 7.866 7.866 7.791 0.075 25810 4102 1 8 . 1 1 66 66 GLU N N 66 128.324 128.324 124.290 4.034 25810 4103 1 8 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.282 -0.088 25810 4104 1 8 . 1 1 66 66 GLU CA C 66 58.452 58.452 57.980 0.472 25810 4105 1 8 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.786 0.327 25810 4106 1 8 . 1 1 66 66 GLU H H 66 8.187 8.187 8.442 -0.255 25810 4107 1 8 . 1 1 67 67 ASP N N 67 114.662 114.662 115.598 -0.936 25810 4108 1 8 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.813 -0.123 25810 4109 1 8 . 1 1 67 67 ASP CA C 67 52.760 52.760 54.269 -1.509 25810 4110 1 8 . 1 1 67 67 ASP CB C 67 40.354 40.354 41.850 -1.496 25810 4111 1 8 . 1 1 67 67 ASP H H 67 8.111 8.111 8.228 -0.117 25810 4112 1 8 . 1 1 68 68 GLY N N 68 109.084 109.084 109.265 -0.181 25810 4113 1 8 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.108 1.028 25810 4114 1 8 . 1 1 68 68 GLY H H 68 7.771 7.771 8.412 -0.641 25810 4115 1 8 . 1 1 69 69 SER N N 69 117.283 117.283 116.788 0.495 25810 4116 1 8 . 1 1 69 69 SER HA H 69 4.217 4.217 4.276 -0.059 25810 4117 1 8 . 1 1 69 69 SER CA C 69 60.270 60.270 58.620 1.650 25810 4118 1 8 . 1 1 69 69 SER CB C 69 64.648 64.648 64.100 0.548 25810 4119 1 8 . 1 1 69 69 SER H H 69 8.632 8.632 7.838 0.794 25810 4120 1 8 . 1 1 70 70 GLY N N 70 116.242 116.242 110.123 6.119 25810 4121 1 8 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.360 0.128 25810 4122 1 8 . 1 1 70 70 GLY H H 70 10.710 10.710 9.486 1.224 25810 4123 1 8 . 1 1 71 71 THR N N 71 106.843 106.843 111.489 -4.646 25810 4124 1 8 . 1 1 71 71 THR HA H 71 4.941 4.941 4.865 0.076 25810 4125 1 8 . 1 1 71 71 THR CA C 71 58.422 58.422 59.657 -1.235 25810 4126 1 8 . 1 1 71 71 THR CB C 71 73.822 73.822 72.415 1.407 25810 4127 1 8 . 1 1 71 71 THR H H 71 7.551 7.551 7.519 0.032 25810 4128 1 8 . 1 1 72 72 VAL N N 72 127.231 127.231 122.205 5.026 25810 4129 1 8 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.261 0.813 25810 4130 1 8 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.542 0.255 25810 4131 1 8 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.356 0.569 25810 4132 1 8 . 1 1 72 72 VAL H H 72 9.690 9.690 8.462 1.228 25810 4133 1 8 . 1 1 73 73 ASP N N 73 129.232 129.232 127.404 1.828 25810 4134 1 8 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.743 0.349 25810 4135 1 8 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.211 -0.830 25810 4136 1 8 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.643 -0.603 25810 4137 1 8 . 1 1 73 73 ASP H H 73 8.828 8.828 8.720 0.108 25810 4138 1 8 . 1 1 74 74 PHE N N 74 118.313 118.313 119.952 -1.639 25810 4139 1 8 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.440 -1.159 25810 4140 1 8 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.612 -1.243 25810 4141 1 8 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.251 -0.661 25810 4142 1 8 . 1 1 74 74 PHE H H 74 8.496 8.496 8.993 -0.497 25810 4143 1 8 . 1 1 75 75 ASP N N 75 117.592 117.592 118.576 -0.984 25810 4144 1 8 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.403 -0.479 25810 4145 1 8 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.766 0.091 25810 4146 1 8 . 1 1 75 75 ASP CB C 75 39.984 39.984 40.858 -0.875 25810 4147 1 8 . 1 1 75 75 ASP H H 75 7.708 7.708 9.163 -1.455 25810 4148 1 8 . 1 1 76 76 GLU N N 76 120.100 120.100 119.899 0.201 25810 4149 1 8 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.050 -0.131 25810 4150 1 8 . 1 1 76 76 GLU CA C 76 58.410 58.410 58.993 -0.583 25810 4151 1 8 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.691 0.536 25810 4152 1 8 . 1 1 76 76 GLU H H 76 8.267 8.267 7.792 0.475 25810 4153 1 8 . 1 1 77 77 PHE N N 77 122.101 122.101 121.478 0.623 25810 4154 1 8 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.184 -0.493 25810 4155 1 8 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.496 -0.580 25810 4156 1 8 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.336 0.734 25810 4157 1 8 . 1 1 77 77 PHE H H 77 8.760 8.760 8.788 -0.028 25810 4158 1 8 . 1 1 78 78 LEU N N 78 120.110 120.110 119.697 0.413 25810 4159 1 8 . 1 1 78 78 LEU HA H 78 3.227 3.227 4.041 -0.814 25810 4160 1 8 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.299 -0.184 25810 4161 1 8 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.252 0.358 25810 4162 1 8 . 1 1 78 78 LEU H H 78 8.404 8.404 7.825 0.579 25810 4163 1 8 . 1 1 79 79 VAL N N 79 116.259 116.259 114.587 1.672 25810 4164 1 8 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.720 -0.513 25810 4165 1 8 . 1 1 79 79 VAL CA C 79 66.629 66.629 65.646 0.983 25810 4166 1 8 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.015 0.422 25810 4167 1 8 . 1 1 79 79 VAL H H 79 7.132 7.132 7.571 -0.439 25810 4168 1 8 . 1 1 80 80 MET N N 80 118.429 118.429 120.464 -2.035 25810 4169 1 8 . 1 1 80 80 MET HA H 80 3.810 3.810 3.918 -0.108 25810 4170 1 8 . 1 1 80 80 MET CA C 80 57.828 57.828 58.799 -0.971 25810 4171 1 8 . 1 1 80 80 MET CB C 80 31.114 31.114 32.287 -1.173 25810 4172 1 8 . 1 1 80 80 MET H H 80 7.191 7.191 7.774 -0.583 25810 4173 1 8 . 1 1 81 81 MET H H 81 8.104 8.104 7.623 0.481 25810 4174 1 8 . 1 1 86 86 LYS N N 86 118.058 118.058 122.636 -4.578 25810 4175 1 8 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.016 0.284 25810 4176 1 8 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.357 -1.959 25810 4177 1 8 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.597 0.249 25810 4178 1 8 . 1 1 86 86 LYS H H 86 7.750 7.750 8.380 -0.630 25810 4179 1 8 . 1 1 87 87 ASP N N 87 120.199 120.199 118.479 1.720 25810 4180 1 8 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.413 0.245 25810 4181 1 8 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.158 -2.041 25810 4182 1 8 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.206 1.170 25810 4183 1 8 . 1 1 87 87 ASP H H 87 8.102 8.102 7.797 0.305 25810 4184 1 8 . 1 1 88 88 ASP N N 88 121.497 121.497 117.971 3.526 25810 4185 1 8 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.340 0.350 25810 4186 1 8 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.006 -2.340 25810 4187 1 8 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.307 0.850 25810 4188 1 8 . 1 1 88 88 ASP H H 88 8.363 8.363 8.441 -0.078 25810 4189 1 8 . 1 1 89 89 SER N N 89 115.602 115.602 114.104 1.498 25810 4190 1 8 . 1 1 89 89 SER HA H 89 4.347 4.347 4.240 0.107 25810 4191 1 8 . 1 1 89 89 SER CA C 89 59.571 59.571 60.566 -0.995 25810 4192 1 8 . 1 1 89 89 SER CB C 89 63.999 63.999 63.628 0.371 25810 4193 1 8 . 1 1 89 89 SER H H 89 8.251 8.251 7.901 0.350 25810 4194 1 8 . 1 1 90 90 GLU N N 90 121.265 121.265 122.307 -1.042 25810 4195 1 8 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.123 0.106 25810 4196 1 8 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.446 -0.394 25810 4197 1 8 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.079 -0.269 25810 4198 1 8 . 1 1 90 90 GLU H H 90 8.331 8.331 7.848 0.483 25810 4199 1 8 . 1 1 91 91 ASN N N 91 118.544 118.544 116.470 2.074 25810 4200 1 8 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.348 0.307 25810 4201 1 8 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.802 -0.341 25810 4202 1 8 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.198 2.010 25810 4203 1 8 . 1 1 91 91 ASN H H 91 8.131 8.131 7.851 0.280 25810 4204 1 8 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.289 -0.296 25810 4205 1 8 . 1 1 95 95 GLN CA C 95 56.411 56.411 57.549 -1.138 25810 4206 1 8 . 1 1 95 95 GLN CB C 95 29.282 29.282 28.435 0.847 25810 4207 1 8 . 1 1 96 96 GLY N N 96 109.372 109.372 106.120 3.252 25810 4208 1 8 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.094 1.594 25810 4209 1 8 . 1 1 96 96 GLY H H 96 8.110 8.110 8.643 -0.533 25810 4210 1 8 . 1 1 97 97 ARG N N 97 120.154 120.154 117.638 2.516 25810 4211 1 8 . 1 1 97 97 ARG HA H 97 4.467 4.467 3.731 0.736 25810 4212 1 8 . 1 1 97 97 ARG CA C 97 55.566 55.566 57.483 -1.917 25810 4213 1 8 . 1 1 97 97 ARG CB C 97 31.505 31.505 28.264 3.241 25810 4214 1 8 . 1 1 97 97 ARG H H 97 7.966 7.966 8.100 -0.134 25810 4215 1 8 . 1 1 99 99 VAL HA H 99 4.142 4.142 3.937 0.205 25810 4216 1 8 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.757 -0.717 25810 4217 1 8 . 1 1 99 99 VAL CB C 99 30.875 30.875 29.903 0.972 25810 4218 1 8 . 1 1 100 100 ARG N N 100 125.661 125.661 124.097 1.564 25810 4219 1 8 . 1 1 100 100 ARG HA H 100 4.501 4.501 3.825 0.676 25810 4220 1 8 . 1 1 100 100 ARG CA C 100 55.557 55.557 58.594 -3.037 25810 4221 1 8 . 1 1 100 100 ARG H H 100 8.379 8.379 7.888 0.491 25810 4222 1 8 . 1 1 102 102 SER HA H 102 4.356 4.356 4.462 -0.106 25810 4223 1 8 . 1 1 102 102 SER CA C 102 57.361 57.361 58.935 -1.574 25810 4224 1 8 . 1 1 102 102 SER CB C 102 65.237 65.237 63.851 1.386 25810 4225 1 8 . 1 1 103 103 ALA N N 103 125.468 125.468 127.444 -1.976 25810 4226 1 8 . 1 1 103 103 ALA HA H 103 4.011 4.011 3.952 0.059 25810 4227 1 8 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.444 0.541 25810 4228 1 8 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.923 -0.330 25810 4229 1 8 . 1 1 103 103 ALA H H 103 9.148 9.148 8.920 0.228 25810 4230 1 8 . 1 1 104 104 ASP N N 104 115.217 115.217 119.308 -4.091 25810 4231 1 8 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.333 -0.025 25810 4232 1 8 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.327 -0.020 25810 4233 1 8 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.028 0.950 25810 4234 1 8 . 1 1 104 104 ASP H H 104 8.517 8.517 8.436 0.081 25810 4235 1 8 . 1 1 105 105 ALA N N 105 122.884 122.884 122.598 0.286 25810 4236 1 8 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.157 -0.077 25810 4237 1 8 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.918 0.186 25810 4238 1 8 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.403 -0.066 25810 4239 1 8 . 1 1 105 105 ALA H H 105 7.953 7.953 8.107 -0.154 25810 4240 1 8 . 1 1 106 106 MET N N 106 118.710 118.710 117.926 0.784 25810 4241 1 8 . 1 1 106 106 MET HA H 106 3.987 3.987 3.988 -0.001 25810 4242 1 8 . 1 1 106 106 MET CA C 106 59.704 59.704 59.461 0.243 25810 4243 1 8 . 1 1 106 106 MET CB C 106 33.450 33.450 32.539 0.911 25810 4244 1 8 . 1 1 106 106 MET H H 106 8.186 8.186 7.655 0.531 25810 4245 1 8 . 1 1 107 107 MET N N 107 116.864 116.864 117.816 -0.952 25810 4246 1 8 . 1 1 107 107 MET HA H 107 4.446 4.446 4.074 0.372 25810 4247 1 8 . 1 1 107 107 MET CA C 107 57.649 57.649 59.125 -1.476 25810 4248 1 8 . 1 1 107 107 MET CB C 107 31.359 31.359 32.220 -0.861 25810 4249 1 8 . 1 1 107 107 MET H H 107 8.483 8.483 7.811 0.672 25810 4250 1 8 . 1 1 108 108 GLN N N 108 117.959 117.959 120.009 -2.050 25810 4251 1 8 . 1 1 108 108 GLN HA H 108 4.009 4.009 4.031 -0.022 25810 4252 1 8 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.713 0.273 25810 4253 1 8 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.148 0.372 25810 4254 1 8 . 1 1 108 108 GLN H H 108 8.359 8.359 8.002 0.357 25810 4255 1 8 . 1 1 109 109 ALA N N 109 121.657 121.657 121.768 -0.111 25810 4256 1 8 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.054 0.085 25810 4257 1 8 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.893 -0.128 25810 4258 1 8 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.287 0.152 25810 4259 1 8 . 1 1 109 109 ALA H H 109 7.855 7.855 7.953 -0.098 25810 4260 1 8 . 1 1 110 110 LEU N N 110 116.183 116.183 118.482 -2.299 25810 4261 1 8 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.085 0.040 25810 4262 1 8 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.712 -0.280 25810 4263 1 8 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.196 0.436 25810 4264 1 8 . 1 1 110 110 LEU H H 110 7.933 7.933 7.519 0.414 25810 4265 1 8 . 1 1 111 111 LEU CA C 111 55.610 55.610 54.547 1.063 25810 4266 1 8 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.794 1.098 25810 4267 1 8 . 1 1 112 112 GLY N N 112 109.198 109.198 108.785 0.413 25810 4268 1 8 . 1 1 112 112 GLY CA C 112 46.067 46.067 46.773 -0.706 25810 4269 1 8 . 1 1 112 112 GLY H H 112 7.928 7.928 8.012 -0.084 25810 4270 1 8 . 1 1 113 113 ALA N N 113 124.374 124.374 122.041 2.333 25810 4271 1 8 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.652 -0.389 25810 4272 1 8 . 1 1 113 113 ALA CA C 113 53.404 53.404 51.776 1.627 25810 4273 1 8 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.423 -0.710 25810 4274 1 8 . 1 1 113 113 ALA H H 113 8.211 8.211 8.017 0.194 25810 4275 1 8 . 1 1 114 114 ARG N N 114 117.947 117.947 118.315 -0.368 25810 4276 1 8 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.034 0.213 25810 4277 1 8 . 1 1 114 114 ARG CA C 114 56.568 56.568 57.642 -1.074 25810 4278 1 8 . 1 1 114 114 ARG CB C 114 30.389 30.389 29.704 0.685 25810 4279 1 8 . 1 1 114 114 ARG H H 114 7.974 7.974 8.678 -0.704 25810 4280 1 8 . 1 1 115 115 ALA N N 115 123.079 123.079 119.481 3.598 25810 4281 1 8 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.530 -0.314 25810 4282 1 8 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.456 1.327 25810 4283 1 8 . 1 1 115 115 ALA CB C 115 18.915 18.915 20.717 -1.802 25810 4284 1 8 . 1 1 115 115 ALA H H 115 7.969 7.969 7.873 0.096 25810 4285 1 8 . 1 1 116 116 LYS N N 116 120.562 120.562 121.155 -0.593 25810 4286 1 8 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.044 0.195 25810 4287 1 8 . 1 1 116 116 LYS CA C 116 57.421 57.421 58.533 -1.112 25810 4288 1 8 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.596 0.777 25810 4289 1 8 . 1 1 116 116 LYS H H 116 8.310 8.310 8.725 -0.415 25810 4290 1 8 . 1 1 117 117 GLU N N 117 121.115 121.115 118.545 2.570 25810 4291 1 8 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.371 -0.112 25810 4292 1 8 . 1 1 117 117 GLU CA C 117 57.347 57.347 55.903 1.444 25810 4293 1 8 . 1 1 117 117 GLU CB C 117 30.037 30.037 28.912 1.125 25810 4294 1 8 . 1 1 117 117 GLU H H 117 8.646 8.646 8.641 0.005 25810 4295 1 8 . 1 1 118 118 SER N N 118 115.616 115.616 116.805 -1.189 25810 4296 1 8 . 1 1 118 118 SER HA H 118 4.322 4.322 4.198 0.124 25810 4297 1 8 . 1 1 118 118 SER CA C 118 59.082 59.082 61.368 -2.286 25810 4298 1 8 . 1 1 118 118 SER CB C 118 63.624 63.624 62.926 0.698 25810 4299 1 8 . 1 1 118 118 SER H H 118 8.346 8.346 7.880 0.466 25810 4300 1 8 . 1 1 119 119 LEU N N 119 122.984 122.984 120.177 2.807 25810 4301 1 8 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.083 0.225 25810 4302 1 8 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.656 -1.153 25810 4303 1 8 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.580 -0.319 25810 4304 1 8 . 1 1 119 119 LEU H H 119 7.970 7.970 7.940 0.030 25810 4305 1 8 . 1 1 120 120 ASP N N 120 120.516 120.516 117.038 3.478 25810 4306 1 8 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.312 0.298 25810 4307 1 8 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.071 -0.619 25810 4308 1 8 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.176 -0.156 25810 4309 1 8 . 1 1 120 120 ASP H H 120 8.149 8.149 7.765 0.384 25810 4310 1 8 . 1 1 121 121 LEU N N 121 122.598 122.598 120.222 2.376 25810 4311 1 8 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.034 0.241 25810 4312 1 8 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.696 0.325 25810 4313 1 8 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.660 -0.606 25810 4314 1 8 . 1 1 121 121 LEU H H 121 8.111 8.111 8.247 -0.136 25810 4315 1 8 . 1 1 122 122 ARG N N 122 119.425 119.425 120.630 -1.205 25810 4316 1 8 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.672 -0.425 25810 4317 1 8 . 1 1 122 122 ARG CA C 122 56.615 56.615 54.798 1.817 25810 4318 1 8 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.409 0.027 25810 4319 1 8 . 1 1 122 122 ARG H H 122 8.131 8.131 8.470 -0.339 25810 4320 1 8 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.027 1.117 25810 4321 1 8 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.704 -0.581 25810 4322 1 8 . 1 1 124 124 HIS N N 124 117.075 117.075 117.387 -0.312 25810 4323 1 8 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.190 -0.093 25810 4324 1 8 . 1 1 124 124 HIS CB C 124 30.425 30.425 29.823 0.602 25810 4325 1 8 . 1 1 124 124 HIS H H 124 8.185 8.185 7.727 0.458 25810 4326 1 8 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.552 -0.198 25810 4327 1 8 . 1 1 125 125 LEU CA C 125 55.257 55.257 53.549 1.708 25810 4328 1 8 . 1 1 125 125 LEU CB C 125 42.301 42.301 44.381 -2.080 25810 4329 1 9 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 31.920 -1.343 25810 4330 1 9 . 1 1 -7 -7 GLY N N -7 108.818 108.818 107.903 0.915 25810 4331 1 9 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.020 0.164 25810 4332 1 9 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.447 -0.117 25810 4333 1 9 . 1 1 0 0 ASP N N 0 115.716 115.716 116.448 -0.732 25810 4334 1 9 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.604 -0.116 25810 4335 1 9 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.041 0.641 25810 4336 1 9 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.682 0.314 25810 4337 1 9 . 1 1 0 0 ASP H H 0 8.155 8.155 8.417 -0.262 25810 4338 1 9 . 1 1 1 1 MET N N 1 121.815 121.815 126.434 -4.619 25810 4339 1 9 . 1 1 1 1 MET HA H 1 4.450 4.450 4.507 -0.057 25810 4340 1 9 . 1 1 1 1 MET CA C 1 55.996 55.996 55.396 0.600 25810 4341 1 9 . 1 1 1 1 MET CB C 1 32.334 32.334 33.340 -1.006 25810 4342 1 9 . 1 1 1 1 MET H H 1 8.553 8.553 8.832 -0.279 25810 4343 1 9 . 1 1 2 2 ASP N N 2 119.828 119.828 125.571 -5.743 25810 4344 1 9 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.364 0.117 25810 4345 1 9 . 1 1 2 2 ASP CA C 2 56.123 56.123 56.920 -0.797 25810 4346 1 9 . 1 1 2 2 ASP CB C 2 41.111 41.111 41.014 0.097 25810 4347 1 9 . 1 1 3 3 ASP N N 3 119.912 119.912 120.017 -0.105 25810 4348 1 9 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.418 0.058 25810 4349 1 9 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.668 -0.448 25810 4350 1 9 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.543 0.399 25810 4351 1 9 . 1 1 3 3 ASP H H 3 8.098 8.098 8.560 -0.462 25810 4352 1 9 . 1 1 4 4 ILE N N 4 120.617 120.617 120.332 0.285 25810 4353 1 9 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.699 0.148 25810 4354 1 9 . 1 1 4 4 ILE CA C 4 63.837 63.837 63.645 0.192 25810 4355 1 9 . 1 1 4 4 ILE CB C 4 37.788 37.788 38.040 -0.252 25810 4356 1 9 . 1 1 4 4 ILE H H 4 7.897 7.897 7.459 0.438 25810 4357 1 9 . 1 1 5 5 TYR N N 5 121.116 121.116 119.991 1.125 25810 4358 1 9 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.013 0.295 25810 4359 1 9 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.928 -1.677 25810 4360 1 9 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.615 -1.026 25810 4361 1 9 . 1 1 5 5 TYR H H 5 7.961 7.961 8.110 -0.149 25810 4362 1 9 . 1 1 6 6 LYS N N 6 120.005 120.005 117.232 2.773 25810 4363 1 9 . 1 1 6 6 LYS HA H 6 3.923 3.923 4.251 -0.328 25810 4364 1 9 . 1 1 6 6 LYS CA C 6 59.544 59.544 57.445 2.099 25810 4365 1 9 . 1 1 6 6 LYS CB C 6 32.355 32.355 33.140 -0.785 25810 4366 1 9 . 1 1 6 6 LYS H H 6 8.008 8.008 7.979 0.029 25810 4367 1 9 . 1 1 7 7 ALA N N 7 120.589 120.589 123.242 -2.653 25810 4368 1 9 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.202 -0.048 25810 4369 1 9 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.870 -0.353 25810 4370 1 9 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.452 -0.366 25810 4371 1 9 . 1 1 7 7 ALA H H 7 7.816 7.816 8.612 -0.796 25810 4372 1 9 . 1 1 8 8 ALA N N 8 120.065 120.065 121.501 -1.436 25810 4373 1 9 . 1 1 8 8 ALA HA H 8 4.154 4.154 4.009 0.145 25810 4374 1 9 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.042 -0.344 25810 4375 1 9 . 1 1 8 8 ALA CB C 8 18.483 18.483 17.917 0.566 25810 4376 1 9 . 1 1 8 8 ALA H H 8 7.622 7.622 7.580 0.042 25810 4377 1 9 . 1 1 9 9 VAL N N 9 118.101 118.101 117.219 0.882 25810 4378 1 9 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.699 -0.140 25810 4379 1 9 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.637 0.397 25810 4380 1 9 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.429 0.253 25810 4381 1 9 . 1 1 9 9 VAL H H 9 7.974 7.974 7.397 0.577 25810 4382 1 9 . 1 1 10 10 GLU N N 10 118.217 118.217 120.548 -2.331 25810 4383 1 9 . 1 1 10 10 GLU HA H 10 4.127 4.127 3.965 0.162 25810 4384 1 9 . 1 1 10 10 GLU CA C 10 58.269 58.269 59.060 -0.791 25810 4385 1 9 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.521 0.043 25810 4386 1 9 . 1 1 10 10 GLU H H 10 7.682 7.682 8.014 -0.332 25810 4387 1 9 . 1 1 11 11 GLN N N 11 114.903 114.903 114.949 -0.046 25810 4388 1 9 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.123 0.200 25810 4389 1 9 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.864 -1.212 25810 4390 1 9 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.200 0.247 25810 4391 1 9 . 1 1 11 11 GLN H H 11 7.404 7.404 7.521 -0.117 25810 4392 1 9 . 1 1 12 12 LEU N N 12 120.467 120.467 121.088 -0.621 25810 4393 1 9 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.507 0.075 25810 4394 1 9 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.991 1.006 25810 4395 1 9 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.874 0.692 25810 4396 1 9 . 1 1 12 12 LEU H H 12 7.354 7.354 7.744 -0.390 25810 4397 1 9 . 1 1 13 13 THR N N 13 113.431 113.431 113.626 -0.195 25810 4398 1 9 . 1 1 13 13 THR HA H 13 4.462 4.462 4.496 -0.034 25810 4399 1 9 . 1 1 13 13 THR CA C 13 60.759 60.759 59.966 0.793 25810 4400 1 9 . 1 1 13 13 THR CB C 13 71.101 71.101 70.713 0.388 25810 4401 1 9 . 1 1 13 13 THR H H 13 8.844 8.844 8.216 0.628 25810 4402 1 9 . 1 1 14 14 GLU N N 14 121.790 121.790 121.368 0.422 25810 4403 1 9 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.056 -0.093 25810 4404 1 9 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.523 -0.649 25810 4405 1 9 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.281 0.037 25810 4406 1 9 . 1 1 14 14 GLU H H 14 9.013 9.013 8.892 0.121 25810 4407 1 9 . 1 1 15 15 GLU N N 15 117.495 117.495 118.561 -1.066 25810 4408 1 9 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.204 -0.144 25810 4409 1 9 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.166 1.166 25810 4410 1 9 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.255 -0.079 25810 4411 1 9 . 1 1 15 15 GLU H H 15 8.653 8.653 8.566 0.087 25810 4412 1 9 . 1 1 16 16 GLN N N 16 119.205 119.205 119.474 -0.269 25810 4413 1 9 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.167 -0.310 25810 4414 1 9 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.459 0.489 25810 4415 1 9 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.385 1.346 25810 4416 1 9 . 1 1 16 16 GLN H H 16 7.839 7.839 7.689 0.150 25810 4417 1 9 . 1 1 17 17 LYS N N 17 119.027 119.027 119.386 -0.359 25810 4418 1 9 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.718 0.306 25810 4419 1 9 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.510 2.178 25810 4420 1 9 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.011 0.045 25810 4421 1 9 . 1 1 17 17 LYS H H 17 8.539 8.539 7.927 0.612 25810 4422 1 9 . 1 1 18 18 ASN N N 18 117.428 117.428 118.258 -0.830 25810 4423 1 9 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.356 0.206 25810 4424 1 9 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.424 -0.251 25810 4425 1 9 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.338 -0.534 25810 4426 1 9 . 1 1 18 18 ASN H H 18 8.552 8.552 7.892 0.660 25810 4427 1 9 . 1 1 19 19 GLU N N 19 123.611 123.611 120.026 3.585 25810 4428 1 9 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.017 0.188 25810 4429 1 9 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.077 0.721 25810 4430 1 9 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.648 -0.242 25810 4431 1 9 . 1 1 19 19 GLU H H 19 8.012 8.012 7.597 0.415 25810 4432 1 9 . 1 1 20 20 PHE N N 20 117.357 117.357 119.112 -1.755 25810 4433 1 9 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.290 0.564 25810 4434 1 9 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.559 0.174 25810 4435 1 9 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.692 -0.370 25810 4436 1 9 . 1 1 20 20 PHE H H 20 8.320 8.320 8.043 0.277 25810 4437 1 9 . 1 1 21 21 LYS N N 21 122.064 122.064 120.705 1.359 25810 4438 1 9 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.853 0.172 25810 4439 1 9 . 1 1 21 21 LYS CA C 21 58.674 58.674 58.691 -0.017 25810 4440 1 9 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.613 0.071 25810 4441 1 9 . 1 1 21 21 LYS H H 21 8.864 8.864 7.972 0.892 25810 4442 1 9 . 1 1 22 22 ALA N N 22 121.827 121.827 120.867 0.960 25810 4443 1 9 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.107 0.106 25810 4444 1 9 . 1 1 22 22 ALA CB C 22 17.731 17.731 17.954 -0.223 25810 4445 1 9 . 1 1 22 22 ALA H H 22 8.009 8.009 7.558 0.451 25810 4446 1 9 . 1 1 23 23 ALA N N 23 119.945 119.945 121.341 -1.396 25810 4447 1 9 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.182 -0.053 25810 4448 1 9 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.888 0.451 25810 4449 1 9 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.248 0.738 25810 4450 1 9 . 1 1 23 23 ALA H H 23 8.178 8.178 7.908 0.270 25810 4451 1 9 . 1 1 24 24 PHE N N 24 121.275 121.275 119.306 1.969 25810 4452 1 9 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.093 -0.555 25810 4453 1 9 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.055 1.358 25810 4454 1 9 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.238 0.503 25810 4455 1 9 . 1 1 24 24 PHE H H 24 8.925 8.925 7.661 1.264 25810 4456 1 9 . 1 1 25 25 ASP N N 25 117.407 117.407 119.708 -2.301 25810 4457 1 9 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.122 0.142 25810 4458 1 9 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.827 -0.813 25810 4459 1 9 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.758 -0.861 25810 4460 1 9 . 1 1 25 25 ASP H H 25 8.714 8.714 8.165 0.549 25810 4461 1 9 . 1 1 26 26 ILE N N 26 119.320 119.320 119.631 -0.311 25810 4462 1 9 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.676 0.141 25810 4463 1 9 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.968 -1.554 25810 4464 1 9 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.042 -0.600 25810 4465 1 9 . 1 1 26 26 ILE H H 26 7.337 7.337 7.636 -0.299 25810 4466 1 9 . 1 1 27 27 PHE N N 27 123.734 123.734 117.261 6.473 25810 4467 1 9 . 1 1 27 27 PHE CA C 27 60.576 60.576 60.911 -0.335 25810 4468 1 9 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.926 1.692 25810 4469 1 9 . 1 1 27 27 PHE H H 27 8.139 8.139 7.956 0.183 25810 4470 1 9 . 1 1 28 28 VAL N N 28 105.007 105.007 116.683 -11.676 25810 4471 1 9 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.745 0.338 25810 4472 1 9 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.959 -2.803 25810 4473 1 9 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.518 -0.126 25810 4474 1 9 . 1 1 28 28 VAL H H 28 7.505 7.505 7.681 -0.176 25810 4475 1 9 . 1 1 29 29 LEU N N 29 126.175 126.175 121.167 5.008 25810 4476 1 9 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.065 0.030 25810 4477 1 9 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.651 0.845 25810 4478 1 9 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.153 0.422 25810 4479 1 9 . 1 1 29 29 LEU H H 29 7.274 7.274 7.561 -0.287 25810 4480 1 9 . 1 1 30 30 GLY N N 30 113.173 113.173 110.446 2.727 25810 4481 1 9 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.017 0.523 25810 4482 1 9 . 1 1 30 30 GLY H H 30 8.950 8.950 8.428 0.522 25810 4483 1 9 . 1 1 31 31 ALA N N 31 124.109 124.109 123.763 0.346 25810 4484 1 9 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.449 0.008 25810 4485 1 9 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.182 1.046 25810 4486 1 9 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.433 0.489 25810 4487 1 9 . 1 1 31 31 ALA H H 31 8.131 8.131 7.685 0.446 25810 4488 1 9 . 1 1 32 32 GLU N N 32 124.956 124.956 123.226 1.730 25810 4489 1 9 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.014 0.086 25810 4490 1 9 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.982 0.111 25810 4491 1 9 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.532 0.354 25810 4492 1 9 . 1 1 32 32 GLU H H 32 9.204 9.204 9.023 0.181 25810 4493 1 9 . 1 1 33 33 ASP N N 33 115.544 115.544 117.849 -2.305 25810 4494 1 9 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.500 0.265 25810 4495 1 9 . 1 1 33 33 ASP CA C 33 53.071 53.071 55.144 -2.073 25810 4496 1 9 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.928 0.455 25810 4497 1 9 . 1 1 33 33 ASP H H 33 8.156 8.156 8.362 -0.206 25810 4498 1 9 . 1 1 34 34 GLY N N 34 105.580 105.580 106.334 -0.754 25810 4499 1 9 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.332 1.407 25810 4500 1 9 . 1 1 34 34 GLY H H 34 7.582 7.582 7.622 -0.040 25810 4501 1 9 . 1 1 35 35 SER N N 35 113.292 113.292 114.392 -1.100 25810 4502 1 9 . 1 1 35 35 SER HA H 35 4.960 4.960 4.818 0.142 25810 4503 1 9 . 1 1 35 35 SER CA C 35 57.390 57.390 56.767 0.623 25810 4504 1 9 . 1 1 35 35 SER CB C 35 66.240 66.240 66.116 0.124 25810 4505 1 9 . 1 1 35 35 SER H H 35 7.584 7.584 7.622 -0.038 25810 4506 1 9 . 1 1 36 36 ILE N N 36 119.513 119.513 122.703 -3.190 25810 4507 1 9 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.118 -0.355 25810 4508 1 9 . 1 1 36 36 ILE CA C 36 63.288 63.288 63.018 0.270 25810 4509 1 9 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.821 1.784 25810 4510 1 9 . 1 1 36 36 ILE H H 36 9.028 9.028 8.891 0.137 25810 4511 1 9 . 1 1 37 37 SER N N 37 126.146 126.146 121.038 5.108 25810 4512 1 9 . 1 1 37 37 SER HA H 37 5.198 5.198 4.873 0.325 25810 4513 1 9 . 1 1 37 37 SER CA C 37 57.010 57.010 56.530 0.480 25810 4514 1 9 . 1 1 37 37 SER CB C 37 67.563 67.563 65.193 2.370 25810 4515 1 9 . 1 1 37 37 SER H H 37 9.571 9.571 8.129 1.442 25810 4516 1 9 . 1 1 38 38 THR N N 38 111.059 111.059 117.305 -6.246 25810 4517 1 9 . 1 1 38 38 THR HA H 38 4.514 4.514 4.043 0.471 25810 4518 1 9 . 1 1 38 38 THR CA C 38 66.653 66.653 66.299 0.354 25810 4519 1 9 . 1 1 38 38 THR CB C 38 68.362 68.362 68.656 -0.294 25810 4520 1 9 . 1 1 38 38 THR H H 38 8.794 8.794 8.796 -0.002 25810 4521 1 9 . 1 1 39 39 LYS N N 39 123.369 123.369 122.453 0.916 25810 4522 1 9 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.985 0.071 25810 4523 1 9 . 1 1 39 39 LYS CA C 39 59.766 59.766 60.002 -0.236 25810 4524 1 9 . 1 1 39 39 LYS CB C 39 32.203 32.203 31.936 0.267 25810 4525 1 9 . 1 1 39 39 LYS H H 39 8.044 8.044 8.446 -0.402 25810 4526 1 9 . 1 1 40 40 GLU N N 40 119.970 119.970 119.234 0.736 25810 4527 1 9 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.106 0.068 25810 4528 1 9 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.066 2.206 25810 4529 1 9 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.110 1.082 25810 4530 1 9 . 1 1 40 40 GLU H H 40 7.714 7.714 8.334 -0.620 25810 4531 1 9 . 1 1 41 41 LEU N N 41 119.088 119.088 121.099 -2.011 25810 4532 1 9 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.151 0.098 25810 4533 1 9 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.773 0.098 25810 4534 1 9 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.743 0.493 25810 4535 1 9 . 1 1 41 41 LEU H H 41 8.375 8.375 8.729 -0.354 25810 4536 1 9 . 1 1 42 42 GLY N N 42 106.311 106.311 106.540 -0.229 25810 4537 1 9 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.255 0.976 25810 4538 1 9 . 1 1 42 42 GLY H H 42 8.581 8.581 8.680 -0.099 25810 4539 1 9 . 1 1 43 43 LYS N N 43 120.717 120.717 122.605 -1.888 25810 4540 1 9 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.961 0.010 25810 4541 1 9 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.475 0.565 25810 4542 1 9 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.367 0.027 25810 4543 1 9 . 1 1 43 43 LYS H H 43 7.293 7.293 7.543 -0.250 25810 4544 1 9 . 1 1 44 44 VAL N N 44 119.884 119.884 120.597 -0.713 25810 4545 1 9 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.744 -0.103 25810 4546 1 9 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.222 0.223 25810 4547 1 9 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.916 0.140 25810 4548 1 9 . 1 1 44 44 VAL H H 44 7.560 7.560 7.683 -0.123 25810 4549 1 9 . 1 1 45 45 MET N N 45 117.256 117.256 118.365 -1.109 25810 4550 1 9 . 1 1 45 45 MET HA H 45 4.179 4.179 4.146 0.033 25810 4551 1 9 . 1 1 45 45 MET CA C 45 57.934 57.934 57.949 -0.015 25810 4552 1 9 . 1 1 45 45 MET CB C 45 31.407 31.407 31.406 0.001 25810 4553 1 9 . 1 1 45 45 MET H H 45 8.575 8.575 7.944 0.631 25810 4554 1 9 . 1 1 46 46 ARG N N 46 118.652 118.652 119.940 -1.288 25810 4555 1 9 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.514 0.080 25810 4556 1 9 . 1 1 46 46 ARG CA C 46 59.423 59.423 58.785 0.638 25810 4557 1 9 . 1 1 46 46 ARG CB C 46 29.860 29.860 29.806 0.054 25810 4558 1 9 . 1 1 46 46 ARG H H 46 8.080 8.080 8.212 -0.132 25810 4559 1 9 . 1 1 47 47 MET N N 47 122.632 122.632 118.525 4.107 25810 4560 1 9 . 1 1 47 47 MET HA H 47 4.179 4.179 4.159 0.020 25810 4561 1 9 . 1 1 47 47 MET CA C 47 59.178 59.178 58.841 0.337 25810 4562 1 9 . 1 1 47 47 MET CB C 47 32.669 32.669 32.611 0.058 25810 4563 1 9 . 1 1 47 47 MET H H 47 7.864 7.864 7.755 0.109 25810 4564 1 9 . 1 1 48 48 LEU N N 48 117.884 117.884 116.965 0.919 25810 4565 1 9 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.297 0.065 25810 4566 1 9 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.192 -0.654 25810 4567 1 9 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.202 -0.384 25810 4568 1 9 . 1 1 48 48 LEU H H 48 7.485 7.485 7.769 -0.284 25810 4569 1 9 . 1 1 49 49 GLY N N 49 107.912 107.912 106.237 1.675 25810 4570 1 9 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.700 1.263 25810 4571 1 9 . 1 1 49 49 GLY H H 49 7.884 7.884 7.583 0.301 25810 4572 1 9 . 1 1 50 50 GLN N N 50 117.606 117.606 120.562 -2.956 25810 4573 1 9 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.516 -0.015 25810 4574 1 9 . 1 1 50 50 GLN CA C 50 53.392 53.392 53.879 -0.487 25810 4575 1 9 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.802 -0.029 25810 4576 1 9 . 1 1 50 50 GLN H H 50 8.096 8.096 8.196 -0.100 25810 4577 1 9 . 1 1 51 51 ASN N N 51 116.663 116.663 123.755 -7.092 25810 4578 1 9 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.107 0.015 25810 4579 1 9 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.593 0.637 25810 4580 1 9 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.415 0.731 25810 4581 1 9 . 1 1 51 51 ASN H H 51 8.693 8.693 8.573 0.120 25810 4582 1 9 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.516 0.173 25810 4583 1 9 . 1 1 53 53 THR N N 53 113.865 113.865 113.114 0.751 25810 4584 1 9 . 1 1 53 53 THR H H 53 8.985 8.985 7.944 1.041 25810 4585 1 9 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.072 0.114 25810 4586 1 9 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.882 0.380 25810 4587 1 9 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.641 0.249 25810 4588 1 9 . 1 1 55 55 GLU N N 55 117.475 117.475 115.803 1.672 25810 4589 1 9 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.068 -0.024 25810 4590 1 9 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.435 1.180 25810 4591 1 9 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.646 0.089 25810 4592 1 9 . 1 1 55 55 GLU H H 55 8.785 8.785 9.022 -0.237 25810 4593 1 9 . 1 1 56 56 GLU N N 56 121.699 121.699 120.006 1.693 25810 4594 1 9 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.187 -0.163 25810 4595 1 9 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.367 0.888 25810 4596 1 9 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.358 0.738 25810 4597 1 9 . 1 1 56 56 GLU H H 56 7.815 7.815 7.971 -0.156 25810 4598 1 9 . 1 1 57 57 LEU N N 57 118.421 118.421 120.215 -1.794 25810 4599 1 9 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.955 0.058 25810 4600 1 9 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.181 -1.619 25810 4601 1 9 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.709 1.023 25810 4602 1 9 . 1 1 57 57 LEU H H 57 8.246 8.246 8.358 -0.112 25810 4603 1 9 . 1 1 58 58 GLN N N 58 118.349 118.349 117.187 1.162 25810 4604 1 9 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.999 -0.302 25810 4605 1 9 . 1 1 58 58 GLN CA C 58 58.337 58.337 58.740 -0.403 25810 4606 1 9 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.168 0.400 25810 4607 1 9 . 1 1 58 58 GLN H H 58 8.003 8.003 7.938 0.065 25810 4608 1 9 . 1 1 59 59 GLU N N 59 119.049 119.049 120.451 -1.402 25810 4609 1 9 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.056 0.041 25810 4610 1 9 . 1 1 59 59 GLU CA C 59 59.641 59.641 58.871 0.770 25810 4611 1 9 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.325 0.296 25810 4612 1 9 . 1 1 59 59 GLU H H 59 7.979 7.979 7.919 0.060 25810 4613 1 9 . 1 1 60 60 MET N N 60 117.492 117.492 120.537 -3.045 25810 4614 1 9 . 1 1 60 60 MET HA H 60 4.083 4.083 4.241 -0.158 25810 4615 1 9 . 1 1 60 60 MET CA C 60 59.764 59.764 57.708 2.056 25810 4616 1 9 . 1 1 60 60 MET CB C 60 34.533 34.533 32.471 2.062 25810 4617 1 9 . 1 1 60 60 MET H H 60 7.776 7.776 8.399 -0.623 25810 4618 1 9 . 1 1 61 61 ILE N N 61 118.035 118.035 120.002 -1.967 25810 4619 1 9 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.637 0.080 25810 4620 1 9 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.422 -2.309 25810 4621 1 9 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.642 -0.352 25810 4622 1 9 . 1 1 61 61 ILE H H 61 7.564 7.564 7.676 -0.112 25810 4623 1 9 . 1 1 62 62 ASP N N 62 119.355 119.355 120.129 -0.774 25810 4624 1 9 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.354 -0.007 25810 4625 1 9 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.268 0.408 25810 4626 1 9 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.740 -0.388 25810 4627 1 9 . 1 1 62 62 ASP H H 62 8.801 8.801 7.943 0.858 25810 4628 1 9 . 1 1 63 63 GLU N N 63 116.439 116.439 118.705 -2.266 25810 4629 1 9 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.051 0.012 25810 4630 1 9 . 1 1 63 63 GLU CA C 63 58.821 58.821 59.019 -0.198 25810 4631 1 9 . 1 1 63 63 GLU CB C 63 30.124 30.124 30.050 0.074 25810 4632 1 9 . 1 1 63 63 GLU H H 63 7.702 7.702 7.754 -0.052 25810 4633 1 9 . 1 1 64 64 VAL N N 64 112.796 112.796 118.540 -5.744 25810 4634 1 9 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.821 0.373 25810 4635 1 9 . 1 1 64 64 VAL CA C 64 61.611 61.611 66.136 -4.525 25810 4636 1 9 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.690 0.974 25810 4637 1 9 . 1 1 64 64 VAL H H 64 7.151 7.151 8.200 -1.049 25810 4638 1 9 . 1 1 65 65 ASP N N 65 121.138 121.138 119.125 2.013 25810 4639 1 9 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.645 -0.135 25810 4640 1 9 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.611 -2.046 25810 4641 1 9 . 1 1 65 65 ASP CB C 65 41.017 41.017 40.373 0.643 25810 4642 1 9 . 1 1 65 65 ASP H H 65 7.866 7.866 8.176 -0.310 25810 4643 1 9 . 1 1 66 66 GLU N N 66 128.324 128.324 124.596 3.728 25810 4644 1 9 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.330 -0.136 25810 4645 1 9 . 1 1 66 66 GLU CA C 66 58.452 58.452 57.751 0.701 25810 4646 1 9 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.304 0.809 25810 4647 1 9 . 1 1 66 66 GLU H H 66 8.187 8.187 8.366 -0.179 25810 4648 1 9 . 1 1 67 67 ASP N N 67 114.662 114.662 117.527 -2.865 25810 4649 1 9 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.671 0.019 25810 4650 1 9 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.130 -0.370 25810 4651 1 9 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.587 -0.233 25810 4652 1 9 . 1 1 67 67 ASP H H 67 8.111 8.111 7.759 0.352 25810 4653 1 9 . 1 1 68 68 GLY N N 68 109.084 109.084 107.959 1.125 25810 4654 1 9 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.861 1.275 25810 4655 1 9 . 1 1 68 68 GLY H H 68 7.771 7.771 8.078 -0.307 25810 4656 1 9 . 1 1 69 69 SER N N 69 117.283 117.283 116.124 1.159 25810 4657 1 9 . 1 1 69 69 SER HA H 69 4.217 4.217 4.280 -0.063 25810 4658 1 9 . 1 1 69 69 SER CA C 69 60.270 60.270 59.670 0.600 25810 4659 1 9 . 1 1 69 69 SER CB C 69 64.648 64.648 63.861 0.787 25810 4660 1 9 . 1 1 69 69 SER H H 69 8.632 8.632 8.752 -0.120 25810 4661 1 9 . 1 1 70 70 GLY N N 70 116.242 116.242 109.675 6.567 25810 4662 1 9 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.264 0.224 25810 4663 1 9 . 1 1 70 70 GLY H H 70 10.710 10.710 9.025 1.685 25810 4664 1 9 . 1 1 71 71 THR N N 71 106.843 106.843 109.797 -2.954 25810 4665 1 9 . 1 1 71 71 THR HA H 71 4.941 4.941 4.998 -0.057 25810 4666 1 9 . 1 1 71 71 THR CA C 71 58.422 58.422 59.157 -0.735 25810 4667 1 9 . 1 1 71 71 THR CB C 71 73.822 73.822 72.739 1.083 25810 4668 1 9 . 1 1 71 71 THR H H 71 7.551 7.551 7.541 0.010 25810 4669 1 9 . 1 1 72 72 VAL N N 72 127.231 127.231 122.388 4.843 25810 4670 1 9 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.275 0.799 25810 4671 1 9 . 1 1 72 72 VAL CA C 72 61.797 61.797 62.031 -0.234 25810 4672 1 9 . 1 1 72 72 VAL CB C 72 33.925 33.925 31.757 2.168 25810 4673 1 9 . 1 1 72 72 VAL H H 72 9.690 9.690 8.043 1.647 25810 4674 1 9 . 1 1 73 73 ASP N N 73 129.232 129.232 127.475 1.757 25810 4675 1 9 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.719 0.373 25810 4676 1 9 . 1 1 73 73 ASP CA C 73 52.381 52.381 54.701 -2.320 25810 4677 1 9 . 1 1 73 73 ASP CB C 73 42.040 42.040 43.402 -1.362 25810 4678 1 9 . 1 1 73 73 ASP H H 73 8.828 8.828 8.064 0.764 25810 4679 1 9 . 1 1 74 74 PHE N N 74 118.313 118.313 121.842 -3.529 25810 4680 1 9 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.297 -1.016 25810 4681 1 9 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.425 -1.056 25810 4682 1 9 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.500 -0.910 25810 4683 1 9 . 1 1 74 74 PHE H H 74 8.496 8.496 8.711 -0.215 25810 4684 1 9 . 1 1 75 75 ASP N N 75 117.592 117.592 118.885 -1.293 25810 4685 1 9 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.206 -0.282 25810 4686 1 9 . 1 1 75 75 ASP CA C 75 57.857 57.857 58.104 -0.247 25810 4687 1 9 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.955 0.029 25810 4688 1 9 . 1 1 75 75 ASP H H 75 7.708 7.708 8.842 -1.134 25810 4689 1 9 . 1 1 76 76 GLU N N 76 120.100 120.100 119.895 0.205 25810 4690 1 9 . 1 1 76 76 GLU HA H 76 3.919 3.919 3.963 -0.044 25810 4691 1 9 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.207 -0.797 25810 4692 1 9 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.431 0.796 25810 4693 1 9 . 1 1 76 76 GLU H H 76 8.267 8.267 8.486 -0.219 25810 4694 1 9 . 1 1 77 77 PHE N N 77 122.101 122.101 121.213 0.888 25810 4695 1 9 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.092 -0.401 25810 4696 1 9 . 1 1 77 77 PHE CA C 77 60.916 60.916 60.713 0.203 25810 4697 1 9 . 1 1 77 77 PHE CB C 77 40.070 40.070 38.919 1.151 25810 4698 1 9 . 1 1 77 77 PHE H H 77 8.760 8.760 8.329 0.431 25810 4699 1 9 . 1 1 78 78 LEU N N 78 120.110 120.110 118.902 1.208 25810 4700 1 9 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.002 0.225 25810 4701 1 9 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.577 0.538 25810 4702 1 9 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.383 0.228 25810 4703 1 9 . 1 1 78 78 LEU H H 78 8.404 8.404 7.505 0.899 25810 4704 1 9 . 1 1 79 79 VAL N N 79 116.259 116.259 119.077 -2.818 25810 4705 1 9 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.294 -0.087 25810 4706 1 9 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.319 0.311 25810 4707 1 9 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.076 0.361 25810 4708 1 9 . 1 1 79 79 VAL H H 79 7.132 7.132 7.731 -0.599 25810 4709 1 9 . 1 1 80 80 MET N N 80 118.429 118.429 116.560 1.869 25810 4710 1 9 . 1 1 80 80 MET HA H 80 3.810 3.810 4.036 -0.226 25810 4711 1 9 . 1 1 80 80 MET CA C 80 57.828 57.828 57.568 0.260 25810 4712 1 9 . 1 1 80 80 MET CB C 80 31.114 31.114 31.647 -0.533 25810 4713 1 9 . 1 1 80 80 MET H H 80 7.191 7.191 7.779 -0.588 25810 4714 1 9 . 1 1 81 81 MET H H 81 8.104 8.104 7.280 0.824 25810 4715 1 9 . 1 1 86 86 LYS N N 86 118.058 118.058 123.494 -5.436 25810 4716 1 9 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.015 0.285 25810 4717 1 9 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.414 -2.016 25810 4718 1 9 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.602 0.244 25810 4719 1 9 . 1 1 86 86 LYS H H 86 7.750 7.750 8.235 -0.485 25810 4720 1 9 . 1 1 87 87 ASP N N 87 120.199 120.199 118.711 1.488 25810 4721 1 9 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.437 0.221 25810 4722 1 9 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.059 -1.942 25810 4723 1 9 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.002 1.374 25810 4724 1 9 . 1 1 87 87 ASP H H 87 8.102 8.102 8.381 -0.279 25810 4725 1 9 . 1 1 88 88 ASP N N 88 121.497 121.497 119.669 1.828 25810 4726 1 9 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.507 0.183 25810 4727 1 9 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.428 -1.762 25810 4728 1 9 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.943 0.214 25810 4729 1 9 . 1 1 88 88 ASP H H 88 8.363 8.363 8.154 0.209 25810 4730 1 9 . 1 1 89 89 SER N N 89 115.602 115.602 115.028 0.574 25810 4731 1 9 . 1 1 89 89 SER HA H 89 4.347 4.347 4.265 0.082 25810 4732 1 9 . 1 1 89 89 SER CA C 89 59.571 59.571 61.354 -1.783 25810 4733 1 9 . 1 1 89 89 SER CB C 89 63.999 63.999 63.469 0.530 25810 4734 1 9 . 1 1 89 89 SER H H 89 8.251 8.251 7.820 0.431 25810 4735 1 9 . 1 1 90 90 GLU N N 90 121.265 121.265 120.023 1.242 25810 4736 1 9 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.219 0.011 25810 4737 1 9 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.160 -1.108 25810 4738 1 9 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.152 -0.342 25810 4739 1 9 . 1 1 90 90 GLU H H 90 8.331 8.331 7.945 0.386 25810 4740 1 9 . 1 1 91 91 ASN N N 91 118.544 118.544 118.656 -0.112 25810 4741 1 9 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.753 -0.098 25810 4742 1 9 . 1 1 91 91 ASN CA C 91 53.461 53.461 52.150 1.311 25810 4743 1 9 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.391 1.817 25810 4744 1 9 . 1 1 91 91 ASN H H 91 8.131 8.131 7.683 0.448 25810 4745 1 9 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.115 -0.122 25810 4746 1 9 . 1 1 95 95 GLN CA C 95 56.411 56.411 56.574 -0.163 25810 4747 1 9 . 1 1 95 95 GLN CB C 95 29.282 29.282 26.576 2.706 25810 4748 1 9 . 1 1 96 96 GLY N N 96 109.372 109.372 107.764 1.608 25810 4749 1 9 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.722 0.966 25810 4750 1 9 . 1 1 96 96 GLY H H 96 8.110 8.110 8.015 0.095 25810 4751 1 9 . 1 1 97 97 ARG N N 97 120.154 120.154 120.719 -0.565 25810 4752 1 9 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.481 -0.014 25810 4753 1 9 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.849 -0.283 25810 4754 1 9 . 1 1 97 97 ARG CB C 97 31.505 31.505 31.033 0.472 25810 4755 1 9 . 1 1 97 97 ARG H H 97 7.966 7.966 8.378 -0.412 25810 4756 1 9 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.315 -0.173 25810 4757 1 9 . 1 1 99 99 VAL CA C 99 62.039 62.039 61.414 0.625 25810 4758 1 9 . 1 1 99 99 VAL CB C 99 30.875 30.875 33.654 -2.779 25810 4759 1 9 . 1 1 100 100 ARG N N 100 125.661 125.661 125.014 0.647 25810 4760 1 9 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.533 -0.032 25810 4761 1 9 . 1 1 100 100 ARG CA C 100 55.557 55.557 55.820 -0.263 25810 4762 1 9 . 1 1 100 100 ARG H H 100 8.379 8.379 8.456 -0.077 25810 4763 1 9 . 1 1 102 102 SER HA H 102 4.356 4.356 4.448 -0.092 25810 4764 1 9 . 1 1 102 102 SER CA C 102 57.361 57.361 57.711 -0.349 25810 4765 1 9 . 1 1 102 102 SER CB C 102 65.237 65.237 64.872 0.365 25810 4766 1 9 . 1 1 103 103 ALA N N 103 125.468 125.468 125.916 -0.448 25810 4767 1 9 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.045 -0.034 25810 4768 1 9 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.780 1.205 25810 4769 1 9 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.140 0.453 25810 4770 1 9 . 1 1 103 103 ALA H H 103 9.148 9.148 8.806 0.342 25810 4771 1 9 . 1 1 104 104 ASP N N 104 115.217 115.217 118.891 -3.674 25810 4772 1 9 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.400 -0.092 25810 4773 1 9 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.260 0.048 25810 4774 1 9 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.539 0.439 25810 4775 1 9 . 1 1 104 104 ASP H H 104 8.517 8.517 8.562 -0.045 25810 4776 1 9 . 1 1 105 105 ALA N N 105 122.884 122.884 122.296 0.588 25810 4777 1 9 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.256 -0.176 25810 4778 1 9 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.847 0.257 25810 4779 1 9 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.647 -0.310 25810 4780 1 9 . 1 1 105 105 ALA H H 105 7.953 7.953 7.550 0.403 25810 4781 1 9 . 1 1 106 106 MET N N 106 118.710 118.710 118.717 -0.007 25810 4782 1 9 . 1 1 106 106 MET HA H 106 3.987 3.987 4.234 -0.247 25810 4783 1 9 . 1 1 106 106 MET CA C 106 59.704 59.704 58.068 1.636 25810 4784 1 9 . 1 1 106 106 MET CB C 106 33.450 33.450 32.611 0.839 25810 4785 1 9 . 1 1 106 106 MET H H 106 8.186 8.186 7.669 0.517 25810 4786 1 9 . 1 1 107 107 MET N N 107 116.864 116.864 118.209 -1.345 25810 4787 1 9 . 1 1 107 107 MET HA H 107 4.446 4.446 4.153 0.293 25810 4788 1 9 . 1 1 107 107 MET CA C 107 57.649 57.649 59.067 -1.418 25810 4789 1 9 . 1 1 107 107 MET CB C 107 31.359 31.359 31.629 -0.270 25810 4790 1 9 . 1 1 107 107 MET H H 107 8.483 8.483 8.638 -0.155 25810 4791 1 9 . 1 1 108 108 GLN N N 108 117.959 117.959 118.460 -0.501 25810 4792 1 9 . 1 1 108 108 GLN HA H 108 4.009 4.009 4.005 0.004 25810 4793 1 9 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.134 -0.148 25810 4794 1 9 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.548 -0.028 25810 4795 1 9 . 1 1 108 108 GLN H H 108 8.359 8.359 8.567 -0.208 25810 4796 1 9 . 1 1 109 109 ALA N N 109 121.657 121.657 123.062 -1.405 25810 4797 1 9 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.116 0.023 25810 4798 1 9 . 1 1 109 109 ALA CA C 109 54.765 54.765 55.025 -0.260 25810 4799 1 9 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.338 0.101 25810 4800 1 9 . 1 1 109 109 ALA H H 109 7.855 7.855 7.979 -0.124 25810 4801 1 9 . 1 1 110 110 LEU N N 110 116.183 116.183 119.382 -3.199 25810 4802 1 9 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.097 0.028 25810 4803 1 9 . 1 1 110 110 LEU CA C 110 57.432 57.432 58.058 -0.626 25810 4804 1 9 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.318 0.314 25810 4805 1 9 . 1 1 110 110 LEU H H 110 7.933 7.933 8.077 -0.144 25810 4806 1 9 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.282 -0.672 25810 4807 1 9 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.716 1.176 25810 4808 1 9 . 1 1 112 112 GLY N N 112 109.198 109.198 107.494 1.704 25810 4809 1 9 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.867 0.200 25810 4810 1 9 . 1 1 112 112 GLY H H 112 7.928 7.928 8.548 -0.620 25810 4811 1 9 . 1 1 113 113 ALA N N 113 124.374 124.374 123.406 0.968 25810 4812 1 9 . 1 1 113 113 ALA HA H 113 4.263 4.263 3.911 0.352 25810 4813 1 9 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.846 0.558 25810 4814 1 9 . 1 1 113 113 ALA CB C 113 18.713 18.713 17.923 0.790 25810 4815 1 9 . 1 1 113 113 ALA H H 113 8.211 8.211 7.641 0.570 25810 4816 1 9 . 1 1 114 114 ARG N N 114 117.947 117.947 113.369 4.578 25810 4817 1 9 . 1 1 114 114 ARG HA H 114 4.247 4.247 3.891 0.356 25810 4818 1 9 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.437 0.131 25810 4819 1 9 . 1 1 114 114 ARG CB C 114 30.389 30.389 27.538 2.851 25810 4820 1 9 . 1 1 114 114 ARG H H 114 7.974 7.974 8.470 -0.496 25810 4821 1 9 . 1 1 115 115 ALA N N 115 123.079 123.079 121.877 1.202 25810 4822 1 9 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.193 0.023 25810 4823 1 9 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.653 0.130 25810 4824 1 9 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.665 -0.750 25810 4825 1 9 . 1 1 115 115 ALA H H 115 7.969 7.969 8.322 -0.353 25810 4826 1 9 . 1 1 116 116 LYS N N 116 120.562 120.562 122.538 -1.976 25810 4827 1 9 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.047 0.192 25810 4828 1 9 . 1 1 116 116 LYS CA C 116 57.421 57.421 57.217 0.204 25810 4829 1 9 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.558 0.815 25810 4830 1 9 . 1 1 116 116 LYS H H 116 8.310 8.310 8.272 0.038 25810 4831 1 9 . 1 1 117 117 GLU N N 117 121.115 121.115 116.559 4.556 25810 4832 1 9 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.122 0.137 25810 4833 1 9 . 1 1 117 117 GLU CA C 117 57.347 57.347 57.125 0.222 25810 4834 1 9 . 1 1 117 117 GLU CB C 117 30.037 30.037 28.130 1.907 25810 4835 1 9 . 1 1 117 117 GLU H H 117 8.646 8.646 8.585 0.061 25810 4836 1 9 . 1 1 118 118 SER N N 118 115.616 115.616 113.639 1.977 25810 4837 1 9 . 1 1 118 118 SER HA H 118 4.322 4.322 4.234 0.088 25810 4838 1 9 . 1 1 118 118 SER CA C 118 59.082 59.082 60.026 -0.944 25810 4839 1 9 . 1 1 118 118 SER CB C 118 63.624 63.624 63.432 0.192 25810 4840 1 9 . 1 1 118 118 SER H H 118 8.346 8.346 8.246 0.100 25810 4841 1 9 . 1 1 119 119 LEU N N 119 122.984 122.984 122.086 0.898 25810 4842 1 9 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.234 0.074 25810 4843 1 9 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.261 -0.758 25810 4844 1 9 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.321 -0.060 25810 4845 1 9 . 1 1 119 119 LEU H H 119 7.970 7.970 7.739 0.231 25810 4846 1 9 . 1 1 120 120 ASP N N 120 120.516 120.516 115.291 5.225 25810 4847 1 9 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.221 0.389 25810 4848 1 9 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.467 -1.015 25810 4849 1 9 . 1 1 120 120 ASP CB C 120 41.020 41.020 40.426 0.594 25810 4850 1 9 . 1 1 120 120 ASP H H 120 8.149 8.149 8.142 0.007 25810 4851 1 9 . 1 1 121 121 LEU N N 121 122.598 122.598 123.011 -0.413 25810 4852 1 9 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.473 -0.198 25810 4853 1 9 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.449 1.572 25810 4854 1 9 . 1 1 121 121 LEU CB C 121 42.054 42.054 43.038 -0.984 25810 4855 1 9 . 1 1 121 121 LEU H H 121 8.111 8.111 8.356 -0.245 25810 4856 1 9 . 1 1 122 122 ARG N N 122 119.425 119.425 126.382 -6.957 25810 4857 1 9 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.546 -0.299 25810 4858 1 9 . 1 1 122 122 ARG CA C 122 56.615 56.615 54.928 1.687 25810 4859 1 9 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.335 0.101 25810 4860 1 9 . 1 1 122 122 ARG H H 122 8.131 8.131 8.566 -0.435 25810 4861 1 9 . 1 1 123 123 ALA CA C 123 53.144 53.144 53.672 -0.528 25810 4862 1 9 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.215 -0.092 25810 4863 1 9 . 1 1 124 124 HIS N N 124 117.075 117.075 118.001 -0.926 25810 4864 1 9 . 1 1 124 124 HIS CA C 124 56.097 56.097 54.915 1.182 25810 4865 1 9 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.245 0.180 25810 4866 1 9 . 1 1 124 124 HIS H H 124 8.185 8.185 7.834 0.351 25810 4867 1 9 . 1 1 125 125 LEU HA H 125 4.354 4.354 3.972 0.382 25810 4868 1 9 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.821 -0.564 25810 4869 1 9 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.763 -0.462 25810 4870 1 10 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 32.245 -1.668 25810 4871 1 10 . 1 1 -7 -7 GLY N N -7 108.818 108.818 106.289 2.529 25810 4872 1 10 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.439 0.745 25810 4873 1 10 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.233 0.097 25810 4874 1 10 . 1 1 0 0 ASP N N 0 115.716 115.716 115.573 0.143 25810 4875 1 10 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.597 -0.109 25810 4876 1 10 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.133 0.549 25810 4877 1 10 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.563 0.433 25810 4878 1 10 . 1 1 0 0 ASP H H 0 8.155 8.155 8.182 -0.027 25810 4879 1 10 . 1 1 1 1 MET N N 1 121.815 121.815 122.177 -0.362 25810 4880 1 10 . 1 1 1 1 MET HA H 1 4.450 4.450 4.307 0.143 25810 4881 1 10 . 1 1 1 1 MET CA C 1 55.996 55.996 58.401 -2.405 25810 4882 1 10 . 1 1 1 1 MET CB C 1 32.334 32.334 32.524 -0.190 25810 4883 1 10 . 1 1 1 1 MET H H 1 8.553 8.553 8.254 0.299 25810 4884 1 10 . 1 1 2 2 ASP N N 2 119.828 119.828 118.337 1.491 25810 4885 1 10 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.241 0.240 25810 4886 1 10 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.873 -1.750 25810 4887 1 10 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.921 1.190 25810 4888 1 10 . 1 1 3 3 ASP N N 3 119.912 119.912 119.786 0.126 25810 4889 1 10 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.443 0.033 25810 4890 1 10 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.901 -0.681 25810 4891 1 10 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.503 0.439 25810 4892 1 10 . 1 1 3 3 ASP H H 3 8.098 8.098 7.537 0.561 25810 4893 1 10 . 1 1 4 4 ILE N N 4 120.617 120.617 120.145 0.472 25810 4894 1 10 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.643 0.204 25810 4895 1 10 . 1 1 4 4 ILE CA C 4 63.837 63.837 65.209 -1.372 25810 4896 1 10 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.914 -0.126 25810 4897 1 10 . 1 1 4 4 ILE H H 4 7.897 7.897 7.533 0.364 25810 4898 1 10 . 1 1 5 5 TYR N N 5 121.116 121.116 119.027 2.089 25810 4899 1 10 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.060 0.248 25810 4900 1 10 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.858 -1.607 25810 4901 1 10 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.697 -0.108 25810 4902 1 10 . 1 1 5 5 TYR H H 5 7.961 7.961 7.997 -0.036 25810 4903 1 10 . 1 1 6 6 LYS N N 6 120.005 120.005 120.106 -0.101 25810 4904 1 10 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.873 0.050 25810 4905 1 10 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.635 -0.090 25810 4906 1 10 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.413 -0.057 25810 4907 1 10 . 1 1 6 6 LYS H H 6 8.008 8.008 8.581 -0.573 25810 4908 1 10 . 1 1 7 7 ALA N N 7 120.589 120.589 121.223 -0.634 25810 4909 1 10 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.136 0.018 25810 4910 1 10 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.864 -0.347 25810 4911 1 10 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.324 -0.238 25810 4912 1 10 . 1 1 7 7 ALA H H 7 7.816 7.816 8.311 -0.495 25810 4913 1 10 . 1 1 8 8 ALA N N 8 120.065 120.065 121.780 -1.715 25810 4914 1 10 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.899 0.255 25810 4915 1 10 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.111 -0.413 25810 4916 1 10 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.434 0.049 25810 4917 1 10 . 1 1 8 8 ALA H H 8 7.622 7.622 7.990 -0.368 25810 4918 1 10 . 1 1 9 9 VAL N N 9 118.101 118.101 115.040 3.061 25810 4919 1 10 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.992 -0.433 25810 4920 1 10 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.380 0.653 25810 4921 1 10 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.358 0.324 25810 4922 1 10 . 1 1 9 9 VAL H H 9 7.974 7.974 7.942 0.032 25810 4923 1 10 . 1 1 10 10 GLU N N 10 118.217 118.217 119.849 -1.632 25810 4924 1 10 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.092 0.035 25810 4925 1 10 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.780 -0.511 25810 4926 1 10 . 1 1 10 10 GLU CB C 10 29.564 29.564 30.016 -0.452 25810 4927 1 10 . 1 1 10 10 GLU H H 10 7.682 7.682 8.166 -0.484 25810 4928 1 10 . 1 1 11 11 GLN N N 11 114.903 114.903 116.538 -1.635 25810 4929 1 10 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.285 0.038 25810 4930 1 10 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.189 -1.537 25810 4931 1 10 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.698 -1.251 25810 4932 1 10 . 1 1 11 11 GLN H H 11 7.404 7.404 8.251 -0.847 25810 4933 1 10 . 1 1 12 12 LEU N N 12 120.467 120.467 118.324 2.143 25810 4934 1 10 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.699 -0.117 25810 4935 1 10 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.351 1.646 25810 4936 1 10 . 1 1 12 12 LEU CB C 12 43.566 43.566 44.816 -1.250 25810 4937 1 10 . 1 1 12 12 LEU H H 12 7.354 7.354 8.055 -0.701 25810 4938 1 10 . 1 1 13 13 THR N N 13 113.431 113.431 110.413 3.018 25810 4939 1 10 . 1 1 13 13 THR HA H 13 4.462 4.462 4.665 -0.203 25810 4940 1 10 . 1 1 13 13 THR CA C 13 60.759 60.759 59.475 1.284 25810 4941 1 10 . 1 1 13 13 THR CB C 13 71.101 71.101 71.381 -0.280 25810 4942 1 10 . 1 1 13 13 THR H H 13 8.844 8.844 9.357 -0.513 25810 4943 1 10 . 1 1 14 14 GLU N N 14 121.790 121.790 119.899 1.891 25810 4944 1 10 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.995 -0.032 25810 4945 1 10 . 1 1 14 14 GLU CA C 14 59.874 59.874 59.821 0.053 25810 4946 1 10 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.267 0.051 25810 4947 1 10 . 1 1 14 14 GLU H H 14 9.013 9.013 8.903 0.110 25810 4948 1 10 . 1 1 15 15 GLU N N 15 117.495 117.495 118.088 -0.593 25810 4949 1 10 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.011 0.049 25810 4950 1 10 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.339 0.993 25810 4951 1 10 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.147 0.029 25810 4952 1 10 . 1 1 15 15 GLU H H 15 8.653 8.653 7.834 0.819 25810 4953 1 10 . 1 1 16 16 GLN N N 16 119.205 119.205 118.531 0.674 25810 4954 1 10 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.104 -0.247 25810 4955 1 10 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.626 0.322 25810 4956 1 10 . 1 1 16 16 GLN CB C 16 29.731 29.731 27.976 1.756 25810 4957 1 10 . 1 1 16 16 GLN H H 16 7.839 7.839 7.827 0.012 25810 4958 1 10 . 1 1 17 17 LYS N N 17 119.027 119.027 120.310 -1.283 25810 4959 1 10 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.734 0.290 25810 4960 1 10 . 1 1 17 17 LYS CA C 17 61.688 61.688 58.940 2.748 25810 4961 1 10 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.016 0.040 25810 4962 1 10 . 1 1 17 17 LYS H H 17 8.539 8.539 7.533 1.006 25810 4963 1 10 . 1 1 18 18 ASN N N 18 117.428 117.428 117.333 0.095 25810 4964 1 10 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.518 0.044 25810 4965 1 10 . 1 1 18 18 ASN CA C 18 56.173 56.173 55.957 0.216 25810 4966 1 10 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.057 -0.253 25810 4967 1 10 . 1 1 18 18 ASN H H 18 8.552 8.552 8.300 0.252 25810 4968 1 10 . 1 1 19 19 GLU N N 19 123.611 123.611 121.424 2.187 25810 4969 1 10 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.127 0.078 25810 4970 1 10 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.625 0.173 25810 4971 1 10 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.696 -0.290 25810 4972 1 10 . 1 1 19 19 GLU H H 19 8.012 8.012 7.857 0.155 25810 4973 1 10 . 1 1 20 20 PHE N N 20 117.357 117.357 118.759 -1.402 25810 4974 1 10 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.308 0.546 25810 4975 1 10 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.593 0.140 25810 4976 1 10 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.519 -0.197 25810 4977 1 10 . 1 1 20 20 PHE H H 20 8.320 8.320 8.685 -0.365 25810 4978 1 10 . 1 1 21 21 LYS N N 21 122.064 122.064 119.090 2.974 25810 4979 1 10 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.194 -0.169 25810 4980 1 10 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.411 -0.737 25810 4981 1 10 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.080 -0.396 25810 4982 1 10 . 1 1 21 21 LYS H H 21 8.864 8.864 7.993 0.871 25810 4983 1 10 . 1 1 22 22 ALA N N 22 121.827 121.827 121.312 0.515 25810 4984 1 10 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.216 -0.003 25810 4985 1 10 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.186 -0.455 25810 4986 1 10 . 1 1 22 22 ALA H H 22 8.009 8.009 7.803 0.206 25810 4987 1 10 . 1 1 23 23 ALA N N 23 119.945 119.945 121.641 -1.696 25810 4988 1 10 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.026 0.103 25810 4989 1 10 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.747 0.592 25810 4990 1 10 . 1 1 23 23 ALA CB C 23 18.986 18.986 17.896 1.090 25810 4991 1 10 . 1 1 23 23 ALA H H 23 8.178 8.178 8.115 0.063 25810 4992 1 10 . 1 1 24 24 PHE N N 24 121.275 121.275 119.283 1.992 25810 4993 1 10 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.479 0.059 25810 4994 1 10 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.521 0.892 25810 4995 1 10 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.839 0.902 25810 4996 1 10 . 1 1 24 24 PHE H H 24 8.925 8.925 7.998 0.927 25810 4997 1 10 . 1 1 25 25 ASP N N 25 117.407 117.407 120.036 -2.629 25810 4998 1 10 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.283 -0.019 25810 4999 1 10 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.684 -0.670 25810 5000 1 10 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.778 -0.881 25810 5001 1 10 . 1 1 25 25 ASP H H 25 8.714 8.714 7.927 0.787 25810 5002 1 10 . 1 1 26 26 ILE N N 26 119.320 119.320 119.602 -0.282 25810 5003 1 10 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.752 0.065 25810 5004 1 10 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.504 -1.090 25810 5005 1 10 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.191 -0.749 25810 5006 1 10 . 1 1 26 26 ILE H H 26 7.337 7.337 7.570 -0.233 25810 5007 1 10 . 1 1 27 27 PHE N N 27 123.734 123.734 116.973 6.761 25810 5008 1 10 . 1 1 27 27 PHE CA C 27 60.576 60.576 60.091 0.485 25810 5009 1 10 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.953 1.665 25810 5010 1 10 . 1 1 27 27 PHE H H 27 8.139 8.139 8.009 0.130 25810 5011 1 10 . 1 1 28 28 VAL N N 28 105.007 105.007 116.428 -11.421 25810 5012 1 10 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.555 0.528 25810 5013 1 10 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.473 -2.317 25810 5014 1 10 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.974 -0.582 25810 5015 1 10 . 1 1 28 28 VAL H H 28 7.505 7.505 7.890 -0.385 25810 5016 1 10 . 1 1 29 29 LEU N N 29 126.175 126.175 120.269 5.906 25810 5017 1 10 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.005 0.090 25810 5018 1 10 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.441 1.055 25810 5019 1 10 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.959 -0.384 25810 5020 1 10 . 1 1 29 29 LEU H H 29 7.274 7.274 7.220 0.054 25810 5021 1 10 . 1 1 30 30 GLY N N 30 113.173 113.173 110.586 2.587 25810 5022 1 10 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.970 0.570 25810 5023 1 10 . 1 1 30 30 GLY H H 30 8.950 8.950 8.509 0.441 25810 5024 1 10 . 1 1 31 31 ALA N N 31 124.109 124.109 124.001 0.108 25810 5025 1 10 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.566 -0.109 25810 5026 1 10 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.902 1.326 25810 5027 1 10 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.240 0.682 25810 5028 1 10 . 1 1 31 31 ALA H H 31 8.131 8.131 7.795 0.336 25810 5029 1 10 . 1 1 32 32 GLU N N 32 124.956 124.956 125.294 -0.338 25810 5030 1 10 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.010 0.090 25810 5031 1 10 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.712 0.381 25810 5032 1 10 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.482 0.404 25810 5033 1 10 . 1 1 32 32 GLU H H 32 9.204 9.204 8.956 0.248 25810 5034 1 10 . 1 1 33 33 ASP N N 33 115.544 115.544 117.024 -1.480 25810 5035 1 10 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.471 0.294 25810 5036 1 10 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.767 -1.696 25810 5037 1 10 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.671 0.712 25810 5038 1 10 . 1 1 33 33 ASP H H 33 8.156 8.156 8.054 0.102 25810 5039 1 10 . 1 1 34 34 GLY N N 34 105.580 105.580 106.968 -1.388 25810 5040 1 10 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.488 1.251 25810 5041 1 10 . 1 1 34 34 GLY H H 34 7.582 7.582 7.910 -0.328 25810 5042 1 10 . 1 1 35 35 SER N N 35 113.292 113.292 112.926 0.366 25810 5043 1 10 . 1 1 35 35 SER HA H 35 4.960 4.960 4.874 0.086 25810 5044 1 10 . 1 1 35 35 SER CA C 35 57.390 57.390 55.968 1.421 25810 5045 1 10 . 1 1 35 35 SER CB C 35 66.240 66.240 66.254 -0.014 25810 5046 1 10 . 1 1 35 35 SER H H 35 7.584 7.584 7.481 0.103 25810 5047 1 10 . 1 1 36 36 ILE N N 36 119.513 119.513 122.475 -2.962 25810 5048 1 10 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.051 -0.288 25810 5049 1 10 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.568 0.720 25810 5050 1 10 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.952 1.653 25810 5051 1 10 . 1 1 36 36 ILE H H 36 9.028 9.028 8.280 0.748 25810 5052 1 10 . 1 1 37 37 SER N N 37 126.146 126.146 122.125 4.021 25810 5053 1 10 . 1 1 37 37 SER HA H 37 5.198 5.198 4.982 0.216 25810 5054 1 10 . 1 1 37 37 SER CA C 37 57.010 57.010 56.501 0.509 25810 5055 1 10 . 1 1 37 37 SER CB C 37 67.563 67.563 65.476 2.087 25810 5056 1 10 . 1 1 37 37 SER H H 37 9.571 9.571 9.126 0.445 25810 5057 1 10 . 1 1 38 38 THR N N 38 111.059 111.059 117.951 -6.892 25810 5058 1 10 . 1 1 38 38 THR HA H 38 4.514 4.514 3.997 0.517 25810 5059 1 10 . 1 1 38 38 THR CA C 38 66.653 66.653 67.360 -0.707 25810 5060 1 10 . 1 1 38 38 THR CB C 38 68.362 68.362 68.428 -0.066 25810 5061 1 10 . 1 1 38 38 THR H H 38 8.794 8.794 8.783 0.011 25810 5062 1 10 . 1 1 39 39 LYS N N 39 123.369 123.369 120.972 2.397 25810 5063 1 10 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.907 0.149 25810 5064 1 10 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.697 0.069 25810 5065 1 10 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.289 -0.086 25810 5066 1 10 . 1 1 39 39 LYS H H 39 8.044 8.044 7.590 0.454 25810 5067 1 10 . 1 1 40 40 GLU N N 40 119.970 119.970 119.463 0.507 25810 5068 1 10 . 1 1 40 40 GLU HA H 40 4.174 4.174 3.916 0.258 25810 5069 1 10 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.184 2.088 25810 5070 1 10 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.151 1.041 25810 5071 1 10 . 1 1 40 40 GLU H H 40 7.714 7.714 7.860 -0.146 25810 5072 1 10 . 1 1 41 41 LEU N N 41 119.088 119.088 120.801 -1.713 25810 5073 1 10 . 1 1 41 41 LEU HA H 41 4.249 4.249 3.979 0.270 25810 5074 1 10 . 1 1 41 41 LEU CA C 41 57.871 57.871 58.111 -0.240 25810 5075 1 10 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.895 0.341 25810 5076 1 10 . 1 1 41 41 LEU H H 41 8.375 8.375 7.566 0.809 25810 5077 1 10 . 1 1 42 42 GLY N N 42 106.311 106.311 106.406 -0.095 25810 5078 1 10 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.017 1.214 25810 5079 1 10 . 1 1 42 42 GLY H H 42 8.581 8.581 8.663 -0.082 25810 5080 1 10 . 1 1 43 43 LYS N N 43 120.717 120.717 122.802 -2.085 25810 5081 1 10 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.888 0.083 25810 5082 1 10 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.709 0.331 25810 5083 1 10 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.416 -0.023 25810 5084 1 10 . 1 1 43 43 LYS H H 43 7.293 7.293 7.914 -0.621 25810 5085 1 10 . 1 1 44 44 VAL N N 44 119.884 119.884 119.710 0.174 25810 5086 1 10 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.466 0.175 25810 5087 1 10 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.445 -0.001 25810 5088 1 10 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.694 0.362 25810 5089 1 10 . 1 1 44 44 VAL H H 44 7.560 7.560 7.548 0.012 25810 5090 1 10 . 1 1 45 45 MET N N 45 117.256 117.256 117.675 -0.419 25810 5091 1 10 . 1 1 45 45 MET HA H 45 4.179 4.179 4.102 0.077 25810 5092 1 10 . 1 1 45 45 MET CA C 45 57.934 57.934 57.215 0.719 25810 5093 1 10 . 1 1 45 45 MET CB C 45 31.407 31.407 31.257 0.150 25810 5094 1 10 . 1 1 45 45 MET H H 45 8.575 8.575 7.621 0.954 25810 5095 1 10 . 1 1 46 46 ARG N N 46 118.652 118.652 120.768 -2.116 25810 5096 1 10 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.241 0.353 25810 5097 1 10 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.039 0.384 25810 5098 1 10 . 1 1 46 46 ARG CB C 46 29.860 29.860 29.952 -0.092 25810 5099 1 10 . 1 1 46 46 ARG H H 46 8.080 8.080 8.472 -0.392 25810 5100 1 10 . 1 1 47 47 MET N N 47 122.632 122.632 119.524 3.108 25810 5101 1 10 . 1 1 47 47 MET HA H 47 4.179 4.179 4.207 -0.028 25810 5102 1 10 . 1 1 47 47 MET CA C 47 59.178 59.178 58.077 1.101 25810 5103 1 10 . 1 1 47 47 MET CB C 47 32.669 32.669 32.242 0.427 25810 5104 1 10 . 1 1 47 47 MET H H 47 7.864 7.864 7.759 0.105 25810 5105 1 10 . 1 1 48 48 LEU N N 48 117.884 117.884 118.598 -0.714 25810 5106 1 10 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.177 0.185 25810 5107 1 10 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.673 -1.135 25810 5108 1 10 . 1 1 48 48 LEU CB C 48 41.818 41.818 41.915 -0.097 25810 5109 1 10 . 1 1 48 48 LEU H H 48 7.485 7.485 7.684 -0.199 25810 5110 1 10 . 1 1 49 49 GLY N N 49 107.912 107.912 105.701 2.211 25810 5111 1 10 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.818 1.145 25810 5112 1 10 . 1 1 49 49 GLY H H 49 7.884 7.884 7.683 0.201 25810 5113 1 10 . 1 1 50 50 GLN N N 50 117.606 117.606 120.888 -3.282 25810 5114 1 10 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.502 -0.001 25810 5115 1 10 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.534 -1.142 25810 5116 1 10 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.516 0.257 25810 5117 1 10 . 1 1 50 50 GLN H H 50 8.096 8.096 7.853 0.243 25810 5118 1 10 . 1 1 51 51 ASN N N 51 116.663 116.663 121.199 -4.536 25810 5119 1 10 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.029 0.093 25810 5120 1 10 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.426 0.804 25810 5121 1 10 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.011 1.135 25810 5122 1 10 . 1 1 51 51 ASN H H 51 8.693 8.693 8.596 0.097 25810 5123 1 10 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.512 0.177 25810 5124 1 10 . 1 1 53 53 THR N N 53 113.865 113.865 111.772 2.093 25810 5125 1 10 . 1 1 53 53 THR H H 53 8.985 8.985 8.363 0.622 25810 5126 1 10 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.385 -0.199 25810 5127 1 10 . 1 1 54 54 PRO CA C 54 66.262 66.262 64.715 1.547 25810 5128 1 10 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.914 -0.024 25810 5129 1 10 . 1 1 55 55 GLU N N 55 117.475 117.475 118.423 -0.948 25810 5130 1 10 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.070 -0.026 25810 5131 1 10 . 1 1 55 55 GLU CA C 55 60.615 60.615 60.153 0.462 25810 5132 1 10 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.123 -0.388 25810 5133 1 10 . 1 1 55 55 GLU H H 55 8.785 8.785 8.999 -0.214 25810 5134 1 10 . 1 1 56 56 GLU N N 56 121.699 121.699 118.317 3.382 25810 5135 1 10 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.196 -0.172 25810 5136 1 10 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.595 0.660 25810 5137 1 10 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.239 0.857 25810 5138 1 10 . 1 1 56 56 GLU H H 56 7.815 7.815 7.841 -0.026 25810 5139 1 10 . 1 1 57 57 LEU N N 57 118.421 118.421 120.916 -2.495 25810 5140 1 10 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.990 0.023 25810 5141 1 10 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.508 -0.946 25810 5142 1 10 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.611 1.121 25810 5143 1 10 . 1 1 57 57 LEU H H 57 8.246 8.246 7.325 0.921 25810 5144 1 10 . 1 1 58 58 GLN N N 58 118.349 118.349 119.861 -1.512 25810 5145 1 10 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.961 -0.264 25810 5146 1 10 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.054 -0.717 25810 5147 1 10 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.677 -0.109 25810 5148 1 10 . 1 1 58 58 GLN H H 58 8.003 8.003 8.721 -0.718 25810 5149 1 10 . 1 1 59 59 GLU N N 59 119.049 119.049 120.474 -1.425 25810 5150 1 10 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.014 0.083 25810 5151 1 10 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.505 0.136 25810 5152 1 10 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.467 0.154 25810 5153 1 10 . 1 1 59 59 GLU H H 59 7.979 7.979 7.758 0.221 25810 5154 1 10 . 1 1 60 60 MET N N 60 117.492 117.492 118.647 -1.155 25810 5155 1 10 . 1 1 60 60 MET HA H 60 4.083 4.083 4.190 -0.107 25810 5156 1 10 . 1 1 60 60 MET CA C 60 59.764 59.764 58.314 1.450 25810 5157 1 10 . 1 1 60 60 MET CB C 60 34.533 34.533 31.954 2.579 25810 5158 1 10 . 1 1 60 60 MET H H 60 7.776 7.776 7.777 -0.001 25810 5159 1 10 . 1 1 61 61 ILE N N 61 118.035 118.035 120.753 -2.718 25810 5160 1 10 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.686 0.031 25810 5161 1 10 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.730 -1.617 25810 5162 1 10 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.323 -0.033 25810 5163 1 10 . 1 1 61 61 ILE H H 61 7.564 7.564 7.925 -0.361 25810 5164 1 10 . 1 1 62 62 ASP N N 62 119.355 119.355 121.329 -1.974 25810 5165 1 10 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.249 0.098 25810 5166 1 10 . 1 1 62 62 ASP CA C 62 57.676 57.676 58.111 -0.435 25810 5167 1 10 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.710 -0.358 25810 5168 1 10 . 1 1 62 62 ASP H H 62 8.801 8.801 8.309 0.492 25810 5169 1 10 . 1 1 63 63 GLU N N 63 116.439 116.439 119.677 -3.238 25810 5170 1 10 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.074 -0.011 25810 5171 1 10 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.813 0.008 25810 5172 1 10 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.915 0.209 25810 5173 1 10 . 1 1 63 63 GLU H H 63 7.702 7.702 8.032 -0.330 25810 5174 1 10 . 1 1 64 64 VAL N N 64 112.796 112.796 117.094 -4.298 25810 5175 1 10 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.851 0.343 25810 5176 1 10 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.550 -3.939 25810 5177 1 10 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.915 0.749 25810 5178 1 10 . 1 1 64 64 VAL H H 64 7.151 7.151 8.073 -0.922 25810 5179 1 10 . 1 1 65 65 ASP N N 65 121.138 121.138 120.397 0.741 25810 5180 1 10 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.470 0.040 25810 5181 1 10 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.033 -1.468 25810 5182 1 10 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.862 -0.845 25810 5183 1 10 . 1 1 65 65 ASP H H 65 7.866 7.866 8.009 -0.143 25810 5184 1 10 . 1 1 66 66 GLU N N 66 128.324 128.324 125.993 2.331 25810 5185 1 10 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.138 0.056 25810 5186 1 10 . 1 1 66 66 GLU CA C 66 58.452 58.452 59.140 -0.688 25810 5187 1 10 . 1 1 66 66 GLU CB C 66 31.113 31.113 29.968 1.145 25810 5188 1 10 . 1 1 66 66 GLU H H 66 8.187 8.187 8.859 -0.672 25810 5189 1 10 . 1 1 67 67 ASP N N 67 114.662 114.662 114.459 0.203 25810 5190 1 10 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.671 0.019 25810 5191 1 10 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.332 -0.572 25810 5192 1 10 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.102 0.252 25810 5193 1 10 . 1 1 67 67 ASP H H 67 8.111 8.111 8.418 -0.307 25810 5194 1 10 . 1 1 68 68 GLY N N 68 109.084 109.084 107.618 1.466 25810 5195 1 10 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.177 0.959 25810 5196 1 10 . 1 1 68 68 GLY H H 68 7.771 7.771 7.593 0.178 25810 5197 1 10 . 1 1 69 69 SER N N 69 117.283 117.283 116.216 1.067 25810 5198 1 10 . 1 1 69 69 SER HA H 69 4.217 4.217 4.181 0.036 25810 5199 1 10 . 1 1 69 69 SER CA C 69 60.270 60.270 60.123 0.147 25810 5200 1 10 . 1 1 69 69 SER CB C 69 64.648 64.648 63.731 0.917 25810 5201 1 10 . 1 1 69 69 SER H H 69 8.632 8.632 9.266 -0.634 25810 5202 1 10 . 1 1 70 70 GLY N N 70 116.242 116.242 108.711 7.531 25810 5203 1 10 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.396 0.092 25810 5204 1 10 . 1 1 70 70 GLY H H 70 10.710 10.710 8.371 2.339 25810 5205 1 10 . 1 1 71 71 THR N N 71 106.843 106.843 111.576 -4.733 25810 5206 1 10 . 1 1 71 71 THR HA H 71 4.941 4.941 4.621 0.320 25810 5207 1 10 . 1 1 71 71 THR CA C 71 58.422 58.422 59.892 -1.470 25810 5208 1 10 . 1 1 71 71 THR CB C 71 73.822 73.822 72.324 1.498 25810 5209 1 10 . 1 1 71 71 THR H H 71 7.551 7.551 7.480 0.071 25810 5210 1 10 . 1 1 72 72 VAL N N 72 127.231 127.231 123.631 3.600 25810 5211 1 10 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.669 0.405 25810 5212 1 10 . 1 1 72 72 VAL CA C 72 61.797 61.797 60.807 0.990 25810 5213 1 10 . 1 1 72 72 VAL CB C 72 33.925 33.925 31.654 2.271 25810 5214 1 10 . 1 1 72 72 VAL H H 72 9.690 9.690 8.184 1.506 25810 5215 1 10 . 1 1 73 73 ASP N N 73 129.232 129.232 127.548 1.684 25810 5216 1 10 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.828 0.264 25810 5217 1 10 . 1 1 73 73 ASP CA C 73 52.381 52.381 54.329 -1.948 25810 5218 1 10 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.684 -0.644 25810 5219 1 10 . 1 1 73 73 ASP H H 73 8.828 8.828 9.331 -0.503 25810 5220 1 10 . 1 1 74 74 PHE N N 74 118.313 118.313 121.418 -3.105 25810 5221 1 10 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.179 -0.898 25810 5222 1 10 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.520 -1.151 25810 5223 1 10 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.935 -0.345 25810 5224 1 10 . 1 1 74 74 PHE H H 74 8.496 8.496 8.742 -0.246 25810 5225 1 10 . 1 1 75 75 ASP N N 75 117.592 117.592 118.671 -1.079 25810 5226 1 10 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.560 -0.636 25810 5227 1 10 . 1 1 75 75 ASP CA C 75 57.857 57.857 58.300 -0.443 25810 5228 1 10 . 1 1 75 75 ASP CB C 75 39.984 39.984 40.357 -0.373 25810 5229 1 10 . 1 1 75 75 ASP H H 75 7.708 7.708 8.684 -0.976 25810 5230 1 10 . 1 1 76 76 GLU N N 76 120.100 120.100 119.809 0.291 25810 5231 1 10 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.091 -0.172 25810 5232 1 10 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.336 -0.926 25810 5233 1 10 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.499 0.728 25810 5234 1 10 . 1 1 76 76 GLU H H 76 8.267 8.267 8.571 -0.304 25810 5235 1 10 . 1 1 77 77 PHE N N 77 122.101 122.101 121.168 0.933 25810 5236 1 10 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.199 -0.508 25810 5237 1 10 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.441 -0.525 25810 5238 1 10 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.190 0.880 25810 5239 1 10 . 1 1 77 77 PHE H H 77 8.760 8.760 8.772 -0.012 25810 5240 1 10 . 1 1 78 78 LEU N N 78 120.110 120.110 120.653 -0.543 25810 5241 1 10 . 1 1 78 78 LEU HA H 78 3.227 3.227 4.037 -0.810 25810 5242 1 10 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.789 -0.674 25810 5243 1 10 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.943 -0.333 25810 5244 1 10 . 1 1 78 78 LEU H H 78 8.404 8.404 7.971 0.433 25810 5245 1 10 . 1 1 79 79 VAL N N 79 116.259 116.259 115.832 0.427 25810 5246 1 10 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.689 -0.482 25810 5247 1 10 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.430 0.199 25810 5248 1 10 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.707 -0.270 25810 5249 1 10 . 1 1 79 79 VAL H H 79 7.132 7.132 7.784 -0.652 25810 5250 1 10 . 1 1 80 80 MET N N 80 118.429 118.429 120.424 -1.995 25810 5251 1 10 . 1 1 80 80 MET HA H 80 3.810 3.810 4.119 -0.309 25810 5252 1 10 . 1 1 80 80 MET CA C 80 57.828 57.828 58.172 -0.344 25810 5253 1 10 . 1 1 80 80 MET CB C 80 31.114 31.114 32.276 -1.162 25810 5254 1 10 . 1 1 80 80 MET H H 80 7.191 7.191 8.390 -1.199 25810 5255 1 10 . 1 1 81 81 MET H H 81 8.104 8.104 7.917 0.187 25810 5256 1 10 . 1 1 86 86 LYS N N 86 118.058 118.058 123.023 -4.965 25810 5257 1 10 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.932 0.368 25810 5258 1 10 . 1 1 86 86 LYS CA C 86 57.398 57.398 60.036 -2.638 25810 5259 1 10 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.721 0.125 25810 5260 1 10 . 1 1 86 86 LYS H H 86 7.750 7.750 8.345 -0.595 25810 5261 1 10 . 1 1 87 87 ASP N N 87 120.199 120.199 118.666 1.533 25810 5262 1 10 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.369 0.289 25810 5263 1 10 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.624 -2.507 25810 5264 1 10 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.423 0.953 25810 5265 1 10 . 1 1 87 87 ASP H H 87 8.102 8.102 7.817 0.285 25810 5266 1 10 . 1 1 88 88 ASP N N 88 121.497 121.497 118.663 2.834 25810 5267 1 10 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.393 0.297 25810 5268 1 10 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.656 -1.990 25810 5269 1 10 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.636 0.521 25810 5270 1 10 . 1 1 88 88 ASP H H 88 8.363 8.363 8.618 -0.255 25810 5271 1 10 . 1 1 89 89 SER N N 89 115.602 115.602 115.193 0.409 25810 5272 1 10 . 1 1 89 89 SER HA H 89 4.347 4.347 4.299 0.048 25810 5273 1 10 . 1 1 89 89 SER CA C 89 59.571 59.571 60.994 -1.423 25810 5274 1 10 . 1 1 89 89 SER CB C 89 63.999 63.999 63.481 0.518 25810 5275 1 10 . 1 1 89 89 SER H H 89 8.251 8.251 8.108 0.143 25810 5276 1 10 . 1 1 90 90 GLU N N 90 121.265 121.265 120.797 0.468 25810 5277 1 10 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.146 0.084 25810 5278 1 10 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.154 -0.102 25810 5279 1 10 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.202 -0.392 25810 5280 1 10 . 1 1 90 90 GLU H H 90 8.331 8.331 7.656 0.675 25810 5281 1 10 . 1 1 91 91 ASN N N 91 118.544 118.544 116.560 1.984 25810 5282 1 10 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.383 0.272 25810 5283 1 10 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.682 -0.222 25810 5284 1 10 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.940 1.268 25810 5285 1 10 . 1 1 91 91 ASN H H 91 8.131 8.131 7.807 0.324 25810 5286 1 10 . 1 1 95 95 GLN HA H 95 3.993 3.993 3.712 0.281 25810 5287 1 10 . 1 1 95 95 GLN CA C 95 56.411 56.411 57.651 -1.240 25810 5288 1 10 . 1 1 95 95 GLN CB C 95 29.282 29.282 27.913 1.369 25810 5289 1 10 . 1 1 96 96 GLY N N 96 109.372 109.372 105.890 3.482 25810 5290 1 10 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.388 1.300 25810 5291 1 10 . 1 1 96 96 GLY H H 96 8.110 8.110 7.624 0.486 25810 5292 1 10 . 1 1 97 97 ARG N N 97 120.154 120.154 120.799 -0.645 25810 5293 1 10 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.317 0.150 25810 5294 1 10 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.711 -0.144 25810 5295 1 10 . 1 1 97 97 ARG CB C 97 31.505 31.505 28.815 2.690 25810 5296 1 10 . 1 1 97 97 ARG H H 97 7.966 7.966 8.273 -0.307 25810 5297 1 10 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.254 -0.112 25810 5298 1 10 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.304 -0.265 25810 5299 1 10 . 1 1 99 99 VAL CB C 99 30.875 30.875 33.574 -2.699 25810 5300 1 10 . 1 1 100 100 ARG N N 100 125.661 125.661 120.139 5.522 25810 5301 1 10 . 1 1 100 100 ARG HA H 100 4.501 4.501 3.950 0.551 25810 5302 1 10 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.334 -1.777 25810 5303 1 10 . 1 1 100 100 ARG H H 100 8.379 8.379 8.478 -0.099 25810 5304 1 10 . 1 1 102 102 SER HA H 102 4.356 4.356 4.429 -0.073 25810 5305 1 10 . 1 1 102 102 SER CA C 102 57.361 57.361 57.193 0.168 25810 5306 1 10 . 1 1 102 102 SER CB C 102 65.237 65.237 64.696 0.541 25810 5307 1 10 . 1 1 103 103 ALA N N 103 125.468 125.468 129.835 -4.367 25810 5308 1 10 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.075 -0.064 25810 5309 1 10 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.681 1.304 25810 5310 1 10 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.858 -0.265 25810 5311 1 10 . 1 1 103 103 ALA H H 103 9.148 9.148 8.846 0.302 25810 5312 1 10 . 1 1 104 104 ASP N N 104 115.217 115.217 118.635 -3.418 25810 5313 1 10 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.381 -0.073 25810 5314 1 10 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.527 0.780 25810 5315 1 10 . 1 1 104 104 ASP CB C 104 40.978 40.978 39.666 1.312 25810 5316 1 10 . 1 1 104 104 ASP H H 104 8.517 8.517 7.958 0.559 25810 5317 1 10 . 1 1 105 105 ALA N N 105 122.884 122.884 122.660 0.224 25810 5318 1 10 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.353 -0.273 25810 5319 1 10 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.793 0.311 25810 5320 1 10 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.528 -0.191 25810 5321 1 10 . 1 1 105 105 ALA H H 105 7.953 7.953 8.028 -0.075 25810 5322 1 10 . 1 1 106 106 MET N N 106 118.710 118.710 119.231 -0.521 25810 5323 1 10 . 1 1 106 106 MET HA H 106 3.987 3.987 4.090 -0.103 25810 5324 1 10 . 1 1 106 106 MET CA C 106 59.704 59.704 59.028 0.676 25810 5325 1 10 . 1 1 106 106 MET CB C 106 33.450 33.450 32.751 0.699 25810 5326 1 10 . 1 1 106 106 MET H H 106 8.186 8.186 7.621 0.565 25810 5327 1 10 . 1 1 107 107 MET N N 107 116.864 116.864 118.446 -1.582 25810 5328 1 10 . 1 1 107 107 MET HA H 107 4.446 4.446 4.095 0.351 25810 5329 1 10 . 1 1 107 107 MET CA C 107 57.649 57.649 58.710 -1.061 25810 5330 1 10 . 1 1 107 107 MET CB C 107 31.359 31.359 31.961 -0.602 25810 5331 1 10 . 1 1 107 107 MET H H 107 8.483 8.483 7.866 0.617 25810 5332 1 10 . 1 1 108 108 GLN N N 108 117.959 117.959 119.070 -1.111 25810 5333 1 10 . 1 1 108 108 GLN HA H 108 4.009 4.009 4.061 -0.052 25810 5334 1 10 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.721 0.265 25810 5335 1 10 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.622 -0.102 25810 5336 1 10 . 1 1 108 108 GLN H H 108 8.359 8.359 8.304 0.055 25810 5337 1 10 . 1 1 109 109 ALA N N 109 121.657 121.657 122.197 -0.540 25810 5338 1 10 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.111 0.028 25810 5339 1 10 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.757 0.008 25810 5340 1 10 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.499 -0.060 25810 5341 1 10 . 1 1 109 109 ALA H H 109 7.855 7.855 8.177 -0.322 25810 5342 1 10 . 1 1 110 110 LEU N N 110 116.183 116.183 118.485 -2.302 25810 5343 1 10 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.144 -0.019 25810 5344 1 10 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.398 0.034 25810 5345 1 10 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.582 0.050 25810 5346 1 10 . 1 1 110 110 LEU H H 110 7.933 7.933 7.728 0.205 25810 5347 1 10 . 1 1 111 111 LEU CA C 111 55.610 55.610 54.485 1.125 25810 5348 1 10 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.771 1.121 25810 5349 1 10 . 1 1 112 112 GLY N N 112 109.198 109.198 107.311 1.887 25810 5350 1 10 . 1 1 112 112 GLY CA C 112 46.067 46.067 46.494 -0.427 25810 5351 1 10 . 1 1 112 112 GLY H H 112 7.928 7.928 7.761 0.167 25810 5352 1 10 . 1 1 113 113 ALA N N 113 124.374 124.374 125.613 -1.239 25810 5353 1 10 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.251 0.012 25810 5354 1 10 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.100 1.304 25810 5355 1 10 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.908 -0.195 25810 5356 1 10 . 1 1 113 113 ALA H H 113 8.211 8.211 8.333 -0.122 25810 5357 1 10 . 1 1 114 114 ARG N N 114 117.947 117.947 118.944 -0.997 25810 5358 1 10 . 1 1 114 114 ARG HA H 114 4.247 4.247 3.973 0.274 25810 5359 1 10 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.266 0.302 25810 5360 1 10 . 1 1 114 114 ARG CB C 114 30.389 30.389 28.593 1.796 25810 5361 1 10 . 1 1 114 114 ARG H H 114 7.974 7.974 7.813 0.161 25810 5362 1 10 . 1 1 115 115 ALA N N 115 123.079 123.079 123.268 -0.189 25810 5363 1 10 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.068 0.148 25810 5364 1 10 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.773 0.010 25810 5365 1 10 . 1 1 115 115 ALA CB C 115 18.915 18.915 18.417 0.498 25810 5366 1 10 . 1 1 115 115 ALA H H 115 7.969 7.969 8.628 -0.659 25810 5367 1 10 . 1 1 116 116 LYS N N 116 120.562 120.562 122.959 -2.397 25810 5368 1 10 . 1 1 116 116 LYS HA H 116 4.239 4.239 3.920 0.319 25810 5369 1 10 . 1 1 116 116 LYS CA C 116 57.421 57.421 58.586 -1.165 25810 5370 1 10 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.334 1.039 25810 5371 1 10 . 1 1 116 116 LYS H H 116 8.310 8.310 8.759 -0.449 25810 5372 1 10 . 1 1 117 117 GLU N N 117 121.115 121.115 119.672 1.443 25810 5373 1 10 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.166 0.093 25810 5374 1 10 . 1 1 117 117 GLU CA C 117 57.347 57.347 59.040 -1.693 25810 5375 1 10 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.208 0.829 25810 5376 1 10 . 1 1 117 117 GLU H H 117 8.646 8.646 8.686 -0.040 25810 5377 1 10 . 1 1 118 118 SER N N 118 115.616 115.616 115.030 0.586 25810 5378 1 10 . 1 1 118 118 SER HA H 118 4.322 4.322 4.238 0.084 25810 5379 1 10 . 1 1 118 118 SER CA C 118 59.082 59.082 61.198 -2.116 25810 5380 1 10 . 1 1 118 118 SER CB C 118 63.624 63.624 63.303 0.321 25810 5381 1 10 . 1 1 118 118 SER H H 118 8.346 8.346 7.660 0.686 25810 5382 1 10 . 1 1 119 119 LEU N N 119 122.984 122.984 121.523 1.461 25810 5383 1 10 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.271 0.037 25810 5384 1 10 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.427 -0.924 25810 5385 1 10 . 1 1 119 119 LEU CB C 119 42.261 42.261 43.127 -0.866 25810 5386 1 10 . 1 1 119 119 LEU H H 119 7.970 7.970 7.541 0.429 25810 5387 1 10 . 1 1 120 120 ASP N N 120 120.516 120.516 118.956 1.560 25810 5388 1 10 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.782 -0.172 25810 5389 1 10 . 1 1 120 120 ASP CA C 120 54.452 54.452 53.570 0.882 25810 5390 1 10 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.747 -0.727 25810 5391 1 10 . 1 1 120 120 ASP H H 120 8.149 8.149 8.199 -0.050 25810 5392 1 10 . 1 1 121 121 LEU N N 121 122.598 122.598 126.575 -3.977 25810 5393 1 10 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.431 -0.156 25810 5394 1 10 . 1 1 121 121 LEU CA C 121 56.021 56.021 56.287 -0.266 25810 5395 1 10 . 1 1 121 121 LEU CB C 121 42.054 42.054 41.870 0.184 25810 5396 1 10 . 1 1 121 121 LEU H H 121 8.111 8.111 8.679 -0.568 25810 5397 1 10 . 1 1 122 122 ARG N N 122 119.425 119.425 119.881 -0.456 25810 5398 1 10 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.199 0.048 25810 5399 1 10 . 1 1 122 122 ARG CA C 122 56.615 56.615 56.529 0.086 25810 5400 1 10 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.512 -0.076 25810 5401 1 10 . 1 1 122 122 ARG H H 122 8.131 8.131 7.822 0.309 25810 5402 1 10 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.715 0.429 25810 5403 1 10 . 1 1 123 123 ALA CB C 123 19.123 19.123 17.505 1.619 25810 5404 1 10 . 1 1 124 124 HIS N N 124 117.075 117.075 116.070 1.005 25810 5405 1 10 . 1 1 124 124 HIS CA C 124 56.097 56.097 58.609 -2.512 25810 5406 1 10 . 1 1 124 124 HIS CB C 124 30.425 30.425 28.112 2.313 25810 5407 1 10 . 1 1 124 124 HIS H H 124 8.185 8.185 8.228 -0.043 25810 5408 1 10 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.292 0.062 25810 5409 1 10 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.029 0.228 25810 5410 1 10 . 1 1 125 125 LEU CB C 125 42.301 42.301 40.279 2.022 25810 5411 1 11 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.140 0.437 25810 5412 1 11 . 1 1 -7 -7 GLY N N -7 108.818 108.818 105.873 2.945 25810 5413 1 11 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 46.040 -0.856 25810 5414 1 11 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.377 -0.047 25810 5415 1 11 . 1 1 0 0 ASP N N 0 115.716 115.716 115.731 -0.015 25810 5416 1 11 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.153 0.335 25810 5417 1 11 . 1 1 0 0 ASP CA C 0 58.683 58.683 59.731 -1.048 25810 5418 1 11 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.427 0.569 25810 5419 1 11 . 1 1 0 0 ASP H H 0 8.155 8.155 8.663 -0.508 25810 5420 1 11 . 1 1 1 1 MET N N 1 121.815 121.815 121.495 0.320 25810 5421 1 11 . 1 1 1 1 MET HA H 1 4.450 4.450 4.135 0.315 25810 5422 1 11 . 1 1 1 1 MET CA C 1 55.996 55.996 59.091 -3.095 25810 5423 1 11 . 1 1 1 1 MET CB C 1 32.334 32.334 32.131 0.203 25810 5424 1 11 . 1 1 1 1 MET H H 1 8.553 8.553 8.168 0.385 25810 5425 1 11 . 1 1 2 2 ASP N N 2 119.828 119.828 120.199 -0.371 25810 5426 1 11 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.388 0.093 25810 5427 1 11 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.769 -1.646 25810 5428 1 11 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.960 1.151 25810 5429 1 11 . 1 1 3 3 ASP N N 3 119.912 119.912 119.993 -0.081 25810 5430 1 11 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.443 0.033 25810 5431 1 11 . 1 1 3 3 ASP CA C 3 56.220 56.220 57.445 -1.225 25810 5432 1 11 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.844 0.098 25810 5433 1 11 . 1 1 3 3 ASP H H 3 8.098 8.098 8.067 0.031 25810 5434 1 11 . 1 1 4 4 ILE N N 4 120.617 120.617 120.706 -0.089 25810 5435 1 11 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.655 0.192 25810 5436 1 11 . 1 1 4 4 ILE CA C 4 63.837 63.837 65.077 -1.240 25810 5437 1 11 . 1 1 4 4 ILE CB C 4 37.788 37.788 38.015 -0.227 25810 5438 1 11 . 1 1 4 4 ILE H H 4 7.897 7.897 7.564 0.333 25810 5439 1 11 . 1 1 5 5 TYR N N 5 121.116 121.116 120.948 0.168 25810 5440 1 11 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.904 0.404 25810 5441 1 11 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.053 -1.802 25810 5442 1 11 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.373 -0.784 25810 5443 1 11 . 1 1 5 5 TYR H H 5 7.961 7.961 8.726 -0.765 25810 5444 1 11 . 1 1 6 6 LYS N N 6 120.005 120.005 119.441 0.564 25810 5445 1 11 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.763 0.160 25810 5446 1 11 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.646 -0.102 25810 5447 1 11 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.350 0.005 25810 5448 1 11 . 1 1 6 6 LYS H H 6 8.008 8.008 8.187 -0.179 25810 5449 1 11 . 1 1 7 7 ALA N N 7 120.589 120.589 120.925 -0.336 25810 5450 1 11 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.027 0.127 25810 5451 1 11 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.835 -0.318 25810 5452 1 11 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.005 0.081 25810 5453 1 11 . 1 1 7 7 ALA H H 7 7.816 7.816 7.634 0.182 25810 5454 1 11 . 1 1 8 8 ALA N N 8 120.065 120.065 121.285 -1.220 25810 5455 1 11 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.894 0.260 25810 5456 1 11 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.919 -0.221 25810 5457 1 11 . 1 1 8 8 ALA CB C 8 18.483 18.483 17.918 0.565 25810 5458 1 11 . 1 1 8 8 ALA H H 8 7.622 7.622 7.690 -0.068 25810 5459 1 11 . 1 1 9 9 VAL N N 9 118.101 118.101 118.012 0.089 25810 5460 1 11 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.503 0.056 25810 5461 1 11 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.324 -0.290 25810 5462 1 11 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.067 0.615 25810 5463 1 11 . 1 1 9 9 VAL H H 9 7.974 7.974 7.566 0.408 25810 5464 1 11 . 1 1 10 10 GLU N N 10 118.217 118.217 117.501 0.716 25810 5465 1 11 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.015 0.112 25810 5466 1 11 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.755 -0.485 25810 5467 1 11 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.360 0.204 25810 5468 1 11 . 1 1 10 10 GLU H H 10 7.682 7.682 7.558 0.124 25810 5469 1 11 . 1 1 11 11 GLN N N 11 114.903 114.903 116.325 -1.422 25810 5470 1 11 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.209 0.114 25810 5471 1 11 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.176 -1.524 25810 5472 1 11 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.092 -0.645 25810 5473 1 11 . 1 1 11 11 GLN H H 11 7.404 7.404 7.545 -0.141 25810 5474 1 11 . 1 1 12 12 LEU N N 12 120.467 120.467 120.041 0.426 25810 5475 1 11 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.578 0.004 25810 5476 1 11 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.593 1.404 25810 5477 1 11 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.937 0.629 25810 5478 1 11 . 1 1 12 12 LEU H H 12 7.354 7.354 8.068 -0.714 25810 5479 1 11 . 1 1 13 13 THR N N 13 113.431 113.431 113.945 -0.514 25810 5480 1 11 . 1 1 13 13 THR HA H 13 4.462 4.462 4.428 0.034 25810 5481 1 11 . 1 1 13 13 THR CA C 13 60.759 60.759 60.617 0.142 25810 5482 1 11 . 1 1 13 13 THR CB C 13 71.101 71.101 70.564 0.537 25810 5483 1 11 . 1 1 13 13 THR H H 13 8.844 8.844 8.061 0.783 25810 5484 1 11 . 1 1 14 14 GLU N N 14 121.790 121.790 121.536 0.254 25810 5485 1 11 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.973 -0.010 25810 5486 1 11 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.764 -0.890 25810 5487 1 11 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.098 0.220 25810 5488 1 11 . 1 1 14 14 GLU H H 14 9.013 9.013 8.965 0.048 25810 5489 1 11 . 1 1 15 15 GLU N N 15 117.495 117.495 119.009 -1.514 25810 5490 1 11 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.103 -0.043 25810 5491 1 11 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.221 1.111 25810 5492 1 11 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.058 0.118 25810 5493 1 11 . 1 1 15 15 GLU H H 15 8.653 8.653 8.527 0.126 25810 5494 1 11 . 1 1 16 16 GLN N N 16 119.205 119.205 119.707 -0.502 25810 5495 1 11 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.077 -0.220 25810 5496 1 11 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.616 0.332 25810 5497 1 11 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.711 1.020 25810 5498 1 11 . 1 1 16 16 GLN H H 16 7.839 7.839 7.716 0.123 25810 5499 1 11 . 1 1 17 17 LYS N N 17 119.027 119.027 119.712 -0.685 25810 5500 1 11 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.864 0.160 25810 5501 1 11 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.722 1.966 25810 5502 1 11 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.202 -0.146 25810 5503 1 11 . 1 1 17 17 LYS H H 17 8.539 8.539 8.079 0.460 25810 5504 1 11 . 1 1 18 18 ASN N N 18 117.428 117.428 117.957 -0.529 25810 5505 1 11 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.515 0.047 25810 5506 1 11 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.208 -0.035 25810 5507 1 11 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.316 -0.512 25810 5508 1 11 . 1 1 18 18 ASN H H 18 8.552 8.552 7.948 0.604 25810 5509 1 11 . 1 1 19 19 GLU N N 19 123.611 123.611 120.339 3.272 25810 5510 1 11 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.057 0.148 25810 5511 1 11 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.634 0.164 25810 5512 1 11 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.625 -0.219 25810 5513 1 11 . 1 1 19 19 GLU H H 19 8.012 8.012 7.865 0.147 25810 5514 1 11 . 1 1 20 20 PHE N N 20 117.357 117.357 119.254 -1.897 25810 5515 1 11 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.265 0.589 25810 5516 1 11 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.628 -0.895 25810 5517 1 11 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.791 -0.469 25810 5518 1 11 . 1 1 20 20 PHE H H 20 8.320 8.320 8.574 -0.254 25810 5519 1 11 . 1 1 21 21 LYS N N 21 122.064 122.064 120.579 1.485 25810 5520 1 11 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.120 -0.095 25810 5521 1 11 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.195 -0.521 25810 5522 1 11 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.860 -0.176 25810 5523 1 11 . 1 1 21 21 LYS H H 21 8.864 8.864 8.221 0.643 25810 5524 1 11 . 1 1 22 22 ALA N N 22 121.827 121.827 120.945 0.882 25810 5525 1 11 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.144 0.069 25810 5526 1 11 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.030 -0.299 25810 5527 1 11 . 1 1 22 22 ALA H H 22 8.009 8.009 7.676 0.333 25810 5528 1 11 . 1 1 23 23 ALA N N 23 119.945 119.945 121.397 -1.452 25810 5529 1 11 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.111 0.018 25810 5530 1 11 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.793 0.546 25810 5531 1 11 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.217 0.769 25810 5532 1 11 . 1 1 23 23 ALA H H 23 8.178 8.178 7.742 0.436 25810 5533 1 11 . 1 1 24 24 PHE N N 24 121.275 121.275 119.120 2.155 25810 5534 1 11 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.784 -0.246 25810 5535 1 11 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.319 1.094 25810 5536 1 11 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.398 0.343 25810 5537 1 11 . 1 1 24 24 PHE H H 24 8.925 8.925 8.338 0.587 25810 5538 1 11 . 1 1 25 25 ASP N N 25 117.407 117.407 120.138 -2.731 25810 5539 1 11 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.275 -0.011 25810 5540 1 11 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.609 -0.596 25810 5541 1 11 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.917 -1.020 25810 5542 1 11 . 1 1 25 25 ASP H H 25 8.714 8.714 8.104 0.610 25810 5543 1 11 . 1 1 26 26 ILE N N 26 119.320 119.320 120.065 -0.745 25810 5544 1 11 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.736 0.081 25810 5545 1 11 . 1 1 26 26 ILE CA C 26 63.414 63.414 63.939 -0.525 25810 5546 1 11 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.034 -0.592 25810 5547 1 11 . 1 1 26 26 ILE H H 26 7.337 7.337 7.597 -0.260 25810 5548 1 11 . 1 1 27 27 PHE N N 27 123.734 123.734 119.573 4.161 25810 5549 1 11 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.011 -0.435 25810 5550 1 11 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.938 1.680 25810 5551 1 11 . 1 1 27 27 PHE H H 27 8.139 8.139 7.652 0.487 25810 5552 1 11 . 1 1 28 28 VAL N N 28 105.007 105.007 111.430 -6.423 25810 5553 1 11 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.959 0.124 25810 5554 1 11 . 1 1 28 28 VAL CA C 28 61.156 61.156 60.413 0.743 25810 5555 1 11 . 1 1 28 28 VAL CB C 28 31.392 31.392 30.365 1.027 25810 5556 1 11 . 1 1 28 28 VAL H H 28 7.505 7.505 7.273 0.232 25810 5557 1 11 . 1 1 29 29 LEU N N 29 126.175 126.175 122.903 3.272 25810 5558 1 11 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.161 -0.066 25810 5559 1 11 . 1 1 29 29 LEU CA C 29 57.496 57.496 55.989 1.507 25810 5560 1 11 . 1 1 29 29 LEU CB C 29 41.575 41.575 42.281 -0.706 25810 5561 1 11 . 1 1 29 29 LEU H H 29 7.274 7.274 7.188 0.086 25810 5562 1 11 . 1 1 30 30 GLY N N 30 113.173 113.173 112.688 0.485 25810 5563 1 11 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.878 0.662 25810 5564 1 11 . 1 1 30 30 GLY H H 30 8.950 8.950 8.613 0.337 25810 5565 1 11 . 1 1 31 31 ALA N N 31 124.109 124.109 123.462 0.647 25810 5566 1 11 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.131 0.326 25810 5567 1 11 . 1 1 31 31 ALA CA C 31 52.228 52.228 52.127 0.101 25810 5568 1 11 . 1 1 31 31 ALA CB C 31 19.922 19.922 18.905 1.017 25810 5569 1 11 . 1 1 31 31 ALA H H 31 8.131 8.131 7.527 0.604 25810 5570 1 11 . 1 1 32 32 GLU N N 32 124.956 124.956 124.013 0.943 25810 5571 1 11 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.043 0.057 25810 5572 1 11 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.859 0.234 25810 5573 1 11 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.701 0.185 25810 5574 1 11 . 1 1 32 32 GLU H H 32 9.204 9.204 8.907 0.297 25810 5575 1 11 . 1 1 33 33 ASP N N 33 115.544 115.544 116.443 -0.899 25810 5576 1 11 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.640 0.125 25810 5577 1 11 . 1 1 33 33 ASP CA C 33 53.071 53.071 53.524 -0.453 25810 5578 1 11 . 1 1 33 33 ASP CB C 33 41.383 41.383 39.734 1.649 25810 5579 1 11 . 1 1 33 33 ASP H H 33 8.156 8.156 8.048 0.108 25810 5580 1 11 . 1 1 34 34 GLY N N 34 105.580 105.580 108.651 -3.071 25810 5581 1 11 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.829 0.910 25810 5582 1 11 . 1 1 34 34 GLY H H 34 7.582 7.582 7.588 -0.006 25810 5583 1 11 . 1 1 35 35 SER N N 35 113.292 113.292 113.093 0.199 25810 5584 1 11 . 1 1 35 35 SER HA H 35 4.960 4.960 4.717 0.243 25810 5585 1 11 . 1 1 35 35 SER CA C 35 57.390 57.390 56.269 1.121 25810 5586 1 11 . 1 1 35 35 SER CB C 35 66.240 66.240 66.848 -0.608 25810 5587 1 11 . 1 1 35 35 SER H H 35 7.584 7.584 8.286 -0.702 25810 5588 1 11 . 1 1 36 36 ILE N N 36 119.513 119.513 122.865 -3.352 25810 5589 1 11 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.066 -0.303 25810 5590 1 11 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.378 0.910 25810 5591 1 11 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.614 1.991 25810 5592 1 11 . 1 1 36 36 ILE H H 36 9.028 9.028 8.465 0.563 25810 5593 1 11 . 1 1 37 37 SER N N 37 126.146 126.146 121.297 4.849 25810 5594 1 11 . 1 1 37 37 SER HA H 37 5.198 5.198 4.951 0.247 25810 5595 1 11 . 1 1 37 37 SER CA C 37 57.010 57.010 56.765 0.245 25810 5596 1 11 . 1 1 37 37 SER CB C 37 67.563 67.563 65.999 1.564 25810 5597 1 11 . 1 1 37 37 SER H H 37 9.571 9.571 8.330 1.241 25810 5598 1 11 . 1 1 38 38 THR N N 38 111.059 111.059 115.447 -4.388 25810 5599 1 11 . 1 1 38 38 THR HA H 38 4.514 4.514 4.042 0.472 25810 5600 1 11 . 1 1 38 38 THR CA C 38 66.653 66.653 66.710 -0.057 25810 5601 1 11 . 1 1 38 38 THR CB C 38 68.362 68.362 68.754 -0.392 25810 5602 1 11 . 1 1 38 38 THR H H 38 8.794 8.794 8.812 -0.018 25810 5603 1 11 . 1 1 39 39 LYS N N 39 123.369 123.369 120.924 2.445 25810 5604 1 11 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.025 0.031 25810 5605 1 11 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.654 0.112 25810 5606 1 11 . 1 1 39 39 LYS CB C 39 32.203 32.203 31.883 0.320 25810 5607 1 11 . 1 1 39 39 LYS H H 39 8.044 8.044 8.162 -0.118 25810 5608 1 11 . 1 1 40 40 GLU N N 40 119.970 119.970 119.319 0.651 25810 5609 1 11 . 1 1 40 40 GLU HA H 40 4.174 4.174 3.897 0.277 25810 5610 1 11 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.441 1.831 25810 5611 1 11 . 1 1 40 40 GLU CB C 40 30.192 30.192 28.859 1.333 25810 5612 1 11 . 1 1 40 40 GLU H H 40 7.714 7.714 8.294 -0.580 25810 5613 1 11 . 1 1 41 41 LEU N N 41 119.088 119.088 120.437 -1.349 25810 5614 1 11 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.134 0.115 25810 5615 1 11 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.291 0.580 25810 5616 1 11 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.836 0.400 25810 5617 1 11 . 1 1 41 41 LEU H H 41 8.375 8.375 7.737 0.638 25810 5618 1 11 . 1 1 42 42 GLY N N 42 106.311 106.311 107.036 -0.725 25810 5619 1 11 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.246 0.985 25810 5620 1 11 . 1 1 42 42 GLY H H 42 8.581 8.581 8.579 0.002 25810 5621 1 11 . 1 1 43 43 LYS N N 43 120.717 120.717 121.741 -1.024 25810 5622 1 11 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.922 0.049 25810 5623 1 11 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.464 0.576 25810 5624 1 11 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.121 0.272 25810 5625 1 11 . 1 1 43 43 LYS H H 43 7.293 7.293 7.689 -0.396 25810 5626 1 11 . 1 1 44 44 VAL N N 44 119.884 119.884 120.000 -0.116 25810 5627 1 11 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.656 -0.015 25810 5628 1 11 . 1 1 44 44 VAL CA C 44 66.444 66.444 65.725 0.718 25810 5629 1 11 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.431 0.625 25810 5630 1 11 . 1 1 44 44 VAL H H 44 7.560 7.560 7.213 0.347 25810 5631 1 11 . 1 1 45 45 MET N N 45 117.256 117.256 118.650 -1.394 25810 5632 1 11 . 1 1 45 45 MET HA H 45 4.179 4.179 3.919 0.260 25810 5633 1 11 . 1 1 45 45 MET CA C 45 57.934 57.934 59.804 -1.870 25810 5634 1 11 . 1 1 45 45 MET CB C 45 31.407 31.407 32.315 -0.908 25810 5635 1 11 . 1 1 45 45 MET H H 45 8.575 8.575 7.769 0.806 25810 5636 1 11 . 1 1 46 46 ARG N N 46 118.652 118.652 119.452 -0.800 25810 5637 1 11 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.392 0.202 25810 5638 1 11 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.026 0.397 25810 5639 1 11 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.057 -0.197 25810 5640 1 11 . 1 1 46 46 ARG H H 46 8.080 8.080 8.608 -0.528 25810 5641 1 11 . 1 1 47 47 MET N N 47 122.632 122.632 120.442 2.190 25810 5642 1 11 . 1 1 47 47 MET HA H 47 4.179 4.179 4.149 0.030 25810 5643 1 11 . 1 1 47 47 MET CA C 47 59.178 59.178 58.315 0.863 25810 5644 1 11 . 1 1 47 47 MET CB C 47 32.669 32.669 32.393 0.276 25810 5645 1 11 . 1 1 47 47 MET H H 47 7.864 7.864 7.930 -0.066 25810 5646 1 11 . 1 1 48 48 LEU N N 48 117.884 117.884 116.858 1.026 25810 5647 1 11 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.232 0.130 25810 5648 1 11 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.633 -1.095 25810 5649 1 11 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.034 -0.216 25810 5650 1 11 . 1 1 48 48 LEU H H 48 7.485 7.485 7.573 -0.088 25810 5651 1 11 . 1 1 49 49 GLY N N 49 107.912 107.912 106.177 1.735 25810 5652 1 11 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.559 1.405 25810 5653 1 11 . 1 1 49 49 GLY H H 49 7.884 7.884 7.867 0.017 25810 5654 1 11 . 1 1 50 50 GLN N N 50 117.606 117.606 119.707 -2.101 25810 5655 1 11 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.441 0.060 25810 5656 1 11 . 1 1 50 50 GLN CA C 50 53.392 53.392 55.151 -1.759 25810 5657 1 11 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.555 0.218 25810 5658 1 11 . 1 1 50 50 GLN H H 50 8.096 8.096 7.867 0.229 25810 5659 1 11 . 1 1 51 51 ASN N N 51 116.663 116.663 119.558 -2.895 25810 5660 1 11 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.041 0.081 25810 5661 1 11 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.283 0.947 25810 5662 1 11 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.281 -0.135 25810 5663 1 11 . 1 1 51 51 ASN H H 51 8.693 8.693 8.707 -0.014 25810 5664 1 11 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.711 -0.022 25810 5665 1 11 . 1 1 53 53 THR N N 53 113.865 113.865 112.566 1.299 25810 5666 1 11 . 1 1 53 53 THR H H 53 8.985 8.985 8.096 0.889 25810 5667 1 11 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.215 -0.029 25810 5668 1 11 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.621 0.641 25810 5669 1 11 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.824 0.066 25810 5670 1 11 . 1 1 55 55 GLU N N 55 117.475 117.475 117.998 -0.523 25810 5671 1 11 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.033 0.011 25810 5672 1 11 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.713 0.902 25810 5673 1 11 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.121 -0.386 25810 5674 1 11 . 1 1 55 55 GLU H H 55 8.785 8.785 8.977 -0.192 25810 5675 1 11 . 1 1 56 56 GLU N N 56 121.699 121.699 119.405 2.294 25810 5676 1 11 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.097 -0.073 25810 5677 1 11 . 1 1 56 56 GLU CA C 56 59.255 59.255 59.022 0.233 25810 5678 1 11 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.357 0.739 25810 5679 1 11 . 1 1 56 56 GLU H H 56 7.815 7.815 7.614 0.201 25810 5680 1 11 . 1 1 57 57 LEU N N 57 118.421 118.421 121.529 -3.108 25810 5681 1 11 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.027 -0.014 25810 5682 1 11 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.870 -1.308 25810 5683 1 11 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.731 1.001 25810 5684 1 11 . 1 1 57 57 LEU H H 57 8.246 8.246 7.718 0.528 25810 5685 1 11 . 1 1 58 58 GLN N N 58 118.349 118.349 118.709 -0.360 25810 5686 1 11 . 1 1 58 58 GLN HA H 58 3.697 3.697 4.023 -0.326 25810 5687 1 11 . 1 1 58 58 GLN CA C 58 58.337 58.337 58.778 -0.441 25810 5688 1 11 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.303 0.265 25810 5689 1 11 . 1 1 58 58 GLN H H 58 8.003 8.003 8.378 -0.375 25810 5690 1 11 . 1 1 59 59 GLU N N 59 119.049 119.049 120.588 -1.539 25810 5691 1 11 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.081 0.016 25810 5692 1 11 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.313 0.328 25810 5693 1 11 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.279 0.342 25810 5694 1 11 . 1 1 59 59 GLU H H 59 7.979 7.979 7.780 0.199 25810 5695 1 11 . 1 1 60 60 MET N N 60 117.492 117.492 120.136 -2.644 25810 5696 1 11 . 1 1 60 60 MET HA H 60 4.083 4.083 4.094 -0.011 25810 5697 1 11 . 1 1 60 60 MET CA C 60 59.764 59.764 59.583 0.181 25810 5698 1 11 . 1 1 60 60 MET CB C 60 34.533 34.533 32.712 1.821 25810 5699 1 11 . 1 1 60 60 MET H H 60 7.776 7.776 8.196 -0.420 25810 5700 1 11 . 1 1 61 61 ILE N N 61 118.035 118.035 119.524 -1.489 25810 5701 1 11 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.660 0.057 25810 5702 1 11 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.329 -2.216 25810 5703 1 11 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.768 -0.478 25810 5704 1 11 . 1 1 61 61 ILE H H 61 7.564 7.564 7.833 -0.269 25810 5705 1 11 . 1 1 62 62 ASP N N 62 119.355 119.355 120.219 -0.864 25810 5706 1 11 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.416 -0.069 25810 5707 1 11 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.248 0.428 25810 5708 1 11 . 1 1 62 62 ASP CB C 62 40.352 40.352 39.916 0.436 25810 5709 1 11 . 1 1 62 62 ASP H H 62 8.801 8.801 8.323 0.478 25810 5710 1 11 . 1 1 63 63 GLU N N 63 116.439 116.439 119.144 -2.705 25810 5711 1 11 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.182 -0.119 25810 5712 1 11 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.562 0.259 25810 5713 1 11 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.734 0.390 25810 5714 1 11 . 1 1 63 63 GLU H H 63 7.702 7.702 7.970 -0.268 25810 5715 1 11 . 1 1 64 64 VAL N N 64 112.796 112.796 117.096 -4.300 25810 5716 1 11 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.909 0.285 25810 5717 1 11 . 1 1 64 64 VAL CA C 64 61.611 61.611 63.979 -2.368 25810 5718 1 11 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.204 0.460 25810 5719 1 11 . 1 1 64 64 VAL H H 64 7.151 7.151 7.576 -0.425 25810 5720 1 11 . 1 1 65 65 ASP N N 65 121.138 121.138 119.204 1.934 25810 5721 1 11 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.361 0.149 25810 5722 1 11 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.866 -2.301 25810 5723 1 11 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.766 -0.749 25810 5724 1 11 . 1 1 65 65 ASP H H 65 7.866 7.866 7.953 -0.087 25810 5725 1 11 . 1 1 66 66 GLU N N 66 128.324 128.324 124.003 4.321 25810 5726 1 11 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.202 -0.008 25810 5727 1 11 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.326 0.126 25810 5728 1 11 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.655 0.458 25810 5729 1 11 . 1 1 66 66 GLU H H 66 8.187 8.187 8.701 -0.514 25810 5730 1 11 . 1 1 67 67 ASP N N 67 114.662 114.662 115.097 -0.435 25810 5731 1 11 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.741 -0.051 25810 5732 1 11 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.233 -0.472 25810 5733 1 11 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.732 -0.378 25810 5734 1 11 . 1 1 67 67 ASP H H 67 8.111 8.111 8.093 0.018 25810 5735 1 11 . 1 1 68 68 GLY N N 68 109.084 109.084 108.741 0.343 25810 5736 1 11 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.084 1.052 25810 5737 1 11 . 1 1 68 68 GLY H H 68 7.771 7.771 8.127 -0.356 25810 5738 1 11 . 1 1 69 69 SER N N 69 117.283 117.283 117.293 -0.010 25810 5739 1 11 . 1 1 69 69 SER HA H 69 4.217 4.217 4.272 -0.055 25810 5740 1 11 . 1 1 69 69 SER CA C 69 60.270 60.270 59.702 0.568 25810 5741 1 11 . 1 1 69 69 SER CB C 69 64.648 64.648 64.191 0.457 25810 5742 1 11 . 1 1 69 69 SER H H 69 8.632 8.632 8.734 -0.102 25810 5743 1 11 . 1 1 70 70 GLY N N 70 116.242 116.242 112.031 4.211 25810 5744 1 11 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.680 -0.192 25810 5745 1 11 . 1 1 70 70 GLY H H 70 10.710 10.710 9.454 1.256 25810 5746 1 11 . 1 1 71 71 THR N N 71 106.843 106.843 111.074 -4.231 25810 5747 1 11 . 1 1 71 71 THR HA H 71 4.941 4.941 4.728 0.213 25810 5748 1 11 . 1 1 71 71 THR CA C 71 58.422 58.422 59.971 -1.549 25810 5749 1 11 . 1 1 71 71 THR CB C 71 73.822 73.822 72.811 1.011 25810 5750 1 11 . 1 1 71 71 THR H H 71 7.551 7.551 7.488 0.063 25810 5751 1 11 . 1 1 72 72 VAL N N 72 127.231 127.231 118.239 8.992 25810 5752 1 11 . 1 1 72 72 VAL HA H 72 5.074 5.074 5.070 0.004 25810 5753 1 11 . 1 1 72 72 VAL CA C 72 61.797 61.797 60.069 1.728 25810 5754 1 11 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.756 0.169 25810 5755 1 11 . 1 1 72 72 VAL H H 72 9.690 9.690 7.937 1.753 25810 5756 1 11 . 1 1 73 73 ASP N N 73 129.232 129.232 128.700 0.532 25810 5757 1 11 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.848 0.244 25810 5758 1 11 . 1 1 73 73 ASP CA C 73 52.381 52.381 55.114 -2.733 25810 5759 1 11 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.005 0.035 25810 5760 1 11 . 1 1 73 73 ASP H H 73 8.828 8.828 8.433 0.395 25810 5761 1 11 . 1 1 74 74 PHE N N 74 118.313 118.313 121.551 -3.238 25810 5762 1 11 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.734 -0.453 25810 5763 1 11 . 1 1 74 74 PHE CA C 74 61.369 61.369 63.025 -1.655 25810 5764 1 11 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.076 -0.486 25810 5765 1 11 . 1 1 74 74 PHE H H 74 8.496 8.496 9.018 -0.522 25810 5766 1 11 . 1 1 75 75 ASP N N 75 117.592 117.592 119.297 -1.705 25810 5767 1 11 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.075 -0.151 25810 5768 1 11 . 1 1 75 75 ASP CA C 75 57.857 57.857 58.011 -0.154 25810 5769 1 11 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.995 -0.010 25810 5770 1 11 . 1 1 75 75 ASP H H 75 7.708 7.708 8.750 -1.042 25810 5771 1 11 . 1 1 76 76 GLU N N 76 120.100 120.100 119.831 0.269 25810 5772 1 11 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.055 -0.136 25810 5773 1 11 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.185 -0.775 25810 5774 1 11 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.436 0.791 25810 5775 1 11 . 1 1 76 76 GLU H H 76 8.267 8.267 8.438 -0.171 25810 5776 1 11 . 1 1 77 77 PHE N N 77 122.101 122.101 122.041 0.060 25810 5777 1 11 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.265 -0.574 25810 5778 1 11 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.184 -0.268 25810 5779 1 11 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.407 0.663 25810 5780 1 11 . 1 1 77 77 PHE H H 77 8.760 8.760 8.885 -0.125 25810 5781 1 11 . 1 1 78 78 LEU N N 78 120.110 120.110 119.399 0.711 25810 5782 1 11 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.796 -0.569 25810 5783 1 11 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.230 -0.114 25810 5784 1 11 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.475 0.135 25810 5785 1 11 . 1 1 78 78 LEU H H 78 8.404 8.404 8.110 0.294 25810 5786 1 11 . 1 1 79 79 VAL N N 79 116.259 116.259 119.557 -3.298 25810 5787 1 11 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.465 -0.258 25810 5788 1 11 . 1 1 79 79 VAL CA C 79 66.629 66.629 67.193 -0.564 25810 5789 1 11 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.370 0.067 25810 5790 1 11 . 1 1 79 79 VAL H H 79 7.132 7.132 7.456 -0.324 25810 5791 1 11 . 1 1 80 80 MET N N 80 118.429 118.429 118.170 0.259 25810 5792 1 11 . 1 1 80 80 MET HA H 80 3.810 3.810 3.968 -0.158 25810 5793 1 11 . 1 1 80 80 MET CA C 80 57.828 57.828 59.128 -1.300 25810 5794 1 11 . 1 1 80 80 MET CB C 80 31.114 31.114 32.291 -1.177 25810 5795 1 11 . 1 1 80 80 MET H H 80 7.191 7.191 7.825 -0.634 25810 5796 1 11 . 1 1 81 81 MET H H 81 8.104 8.104 7.323 0.781 25810 5797 1 11 . 1 1 86 86 LYS N N 86 118.058 118.058 121.965 -3.907 25810 5798 1 11 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.952 0.348 25810 5799 1 11 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.548 -2.150 25810 5800 1 11 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.619 0.227 25810 5801 1 11 . 1 1 86 86 LYS H H 86 7.750 7.750 8.369 -0.619 25810 5802 1 11 . 1 1 87 87 ASP N N 87 120.199 120.199 119.247 0.952 25810 5803 1 11 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.408 0.250 25810 5804 1 11 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.194 -2.077 25810 5805 1 11 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.518 0.858 25810 5806 1 11 . 1 1 87 87 ASP H H 87 8.102 8.102 8.439 -0.337 25810 5807 1 11 . 1 1 88 88 ASP N N 88 121.497 121.497 118.721 2.776 25810 5808 1 11 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.491 0.199 25810 5809 1 11 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.215 -2.549 25810 5810 1 11 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.425 0.733 25810 5811 1 11 . 1 1 88 88 ASP H H 88 8.363 8.363 8.425 -0.062 25810 5812 1 11 . 1 1 89 89 SER N N 89 115.602 115.602 114.235 1.367 25810 5813 1 11 . 1 1 89 89 SER HA H 89 4.347 4.347 4.261 0.086 25810 5814 1 11 . 1 1 89 89 SER CA C 89 59.571 59.571 61.011 -1.440 25810 5815 1 11 . 1 1 89 89 SER CB C 89 63.999 63.999 63.477 0.522 25810 5816 1 11 . 1 1 89 89 SER H H 89 8.251 8.251 7.948 0.303 25810 5817 1 11 . 1 1 90 90 GLU N N 90 121.265 121.265 120.856 0.409 25810 5818 1 11 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.105 0.125 25810 5819 1 11 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.099 -1.047 25810 5820 1 11 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.294 -0.484 25810 5821 1 11 . 1 1 90 90 GLU H H 90 8.331 8.331 8.291 0.040 25810 5822 1 11 . 1 1 91 91 ASN N N 91 118.544 118.544 115.226 3.318 25810 5823 1 11 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.816 -0.161 25810 5824 1 11 . 1 1 91 91 ASN CA C 91 53.461 53.461 52.276 1.185 25810 5825 1 11 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.962 -0.755 25810 5826 1 11 . 1 1 91 91 ASN H H 91 8.131 8.131 7.996 0.135 25810 5827 1 11 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.550 -0.557 25810 5828 1 11 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.372 1.039 25810 5829 1 11 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.875 -0.593 25810 5830 1 11 . 1 1 96 96 GLY N N 96 109.372 109.372 107.833 1.539 25810 5831 1 11 . 1 1 96 96 GLY CA C 96 45.688 45.688 46.000 -0.312 25810 5832 1 11 . 1 1 96 96 GLY H H 96 8.110 8.110 8.530 -0.420 25810 5833 1 11 . 1 1 97 97 ARG N N 97 120.154 120.154 121.593 -1.439 25810 5834 1 11 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.453 0.014 25810 5835 1 11 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.498 0.068 25810 5836 1 11 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.701 0.803 25810 5837 1 11 . 1 1 97 97 ARG H H 97 7.966 7.966 7.980 -0.014 25810 5838 1 11 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.275 -0.133 25810 5839 1 11 . 1 1 99 99 VAL CA C 99 62.039 62.039 61.737 0.302 25810 5840 1 11 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.812 -1.937 25810 5841 1 11 . 1 1 100 100 ARG N N 100 125.661 125.661 126.457 -0.796 25810 5842 1 11 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.496 0.005 25810 5843 1 11 . 1 1 100 100 ARG CA C 100 55.557 55.557 55.737 -0.180 25810 5844 1 11 . 1 1 100 100 ARG H H 100 8.379 8.379 8.607 -0.228 25810 5845 1 11 . 1 1 102 102 SER HA H 102 4.356 4.356 4.571 -0.215 25810 5846 1 11 . 1 1 102 102 SER CA C 102 57.361 57.361 57.229 0.132 25810 5847 1 11 . 1 1 102 102 SER CB C 102 65.237 65.237 65.275 -0.038 25810 5848 1 11 . 1 1 103 103 ALA N N 103 125.468 125.468 130.767 -5.299 25810 5849 1 11 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.075 -0.064 25810 5850 1 11 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.865 1.120 25810 5851 1 11 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.708 -0.115 25810 5852 1 11 . 1 1 103 103 ALA H H 103 9.148 9.148 8.872 0.276 25810 5853 1 11 . 1 1 104 104 ASP N N 104 115.217 115.217 118.269 -3.052 25810 5854 1 11 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.350 -0.042 25810 5855 1 11 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.465 -0.159 25810 5856 1 11 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.694 0.284 25810 5857 1 11 . 1 1 104 104 ASP H H 104 8.517 8.517 8.061 0.456 25810 5858 1 11 . 1 1 105 105 ALA N N 105 122.884 122.884 121.500 1.384 25810 5859 1 11 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.093 -0.013 25810 5860 1 11 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.932 0.172 25810 5861 1 11 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.427 -0.090 25810 5862 1 11 . 1 1 105 105 ALA H H 105 7.953 7.953 7.633 0.320 25810 5863 1 11 . 1 1 106 106 MET N N 106 118.710 118.710 118.635 0.075 25810 5864 1 11 . 1 1 106 106 MET HA H 106 3.987 3.987 4.075 -0.088 25810 5865 1 11 . 1 1 106 106 MET CA C 106 59.704 59.704 58.899 0.805 25810 5866 1 11 . 1 1 106 106 MET CB C 106 33.450 33.450 32.764 0.687 25810 5867 1 11 . 1 1 106 106 MET H H 106 8.186 8.186 7.677 0.509 25810 5868 1 11 . 1 1 107 107 MET N N 107 116.864 116.864 118.301 -1.437 25810 5869 1 11 . 1 1 107 107 MET HA H 107 4.446 4.446 4.039 0.407 25810 5870 1 11 . 1 1 107 107 MET CA C 107 57.649 57.649 59.279 -1.630 25810 5871 1 11 . 1 1 107 107 MET CB C 107 31.359 31.359 32.218 -0.859 25810 5872 1 11 . 1 1 107 107 MET H H 107 8.483 8.483 8.163 0.320 25810 5873 1 11 . 1 1 108 108 GLN N N 108 117.959 117.959 118.460 -0.501 25810 5874 1 11 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.995 0.014 25810 5875 1 11 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.698 0.288 25810 5876 1 11 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.384 0.136 25810 5877 1 11 . 1 1 108 108 GLN H H 108 8.359 8.359 8.361 -0.002 25810 5878 1 11 . 1 1 109 109 ALA N N 109 121.657 121.657 120.911 0.746 25810 5879 1 11 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.108 0.031 25810 5880 1 11 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.696 0.069 25810 5881 1 11 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.367 0.072 25810 5882 1 11 . 1 1 109 109 ALA H H 109 7.855 7.855 7.616 0.239 25810 5883 1 11 . 1 1 110 110 LEU N N 110 116.183 116.183 117.662 -1.479 25810 5884 1 11 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.112 0.013 25810 5885 1 11 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.435 -0.003 25810 5886 1 11 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.241 0.391 25810 5887 1 11 . 1 1 110 110 LEU H H 110 7.933 7.933 7.536 0.397 25810 5888 1 11 . 1 1 111 111 LEU CA C 111 55.610 55.610 54.251 1.359 25810 5889 1 11 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.275 1.617 25810 5890 1 11 . 1 1 112 112 GLY N N 112 109.198 109.198 108.117 1.081 25810 5891 1 11 . 1 1 112 112 GLY CA C 112 46.067 46.067 46.917 -0.850 25810 5892 1 11 . 1 1 112 112 GLY H H 112 7.928 7.928 7.404 0.524 25810 5893 1 11 . 1 1 113 113 ALA N N 113 124.374 124.374 121.581 2.793 25810 5894 1 11 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.179 0.084 25810 5895 1 11 . 1 1 113 113 ALA CA C 113 53.404 53.404 53.758 -0.353 25810 5896 1 11 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.900 -0.187 25810 5897 1 11 . 1 1 113 113 ALA H H 113 8.211 8.211 7.920 0.291 25810 5898 1 11 . 1 1 114 114 ARG N N 114 117.947 117.947 116.930 1.017 25810 5899 1 11 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.466 -0.219 25810 5900 1 11 . 1 1 114 114 ARG CA C 114 56.568 56.568 54.762 1.806 25810 5901 1 11 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.720 -0.331 25810 5902 1 11 . 1 1 114 114 ARG H H 114 7.974 7.974 7.519 0.455 25810 5903 1 11 . 1 1 115 115 ALA N N 115 123.079 123.079 121.687 1.392 25810 5904 1 11 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.215 0.001 25810 5905 1 11 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.978 0.805 25810 5906 1 11 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.883 -0.968 25810 5907 1 11 . 1 1 115 115 ALA H H 115 7.969 7.969 7.510 0.459 25810 5908 1 11 . 1 1 116 116 LYS N N 116 120.562 120.562 122.734 -2.172 25810 5909 1 11 . 1 1 116 116 LYS HA H 116 4.239 4.239 3.957 0.282 25810 5910 1 11 . 1 1 116 116 LYS CA C 116 57.421 57.421 59.548 -2.127 25810 5911 1 11 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.249 1.124 25810 5912 1 11 . 1 1 116 116 LYS H H 116 8.310 8.310 8.672 -0.362 25810 5913 1 11 . 1 1 117 117 GLU N N 117 121.115 121.115 118.544 2.571 25810 5914 1 11 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.090 0.169 25810 5915 1 11 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.730 -1.383 25810 5916 1 11 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.013 1.024 25810 5917 1 11 . 1 1 117 117 GLU H H 117 8.646 8.646 8.333 0.313 25810 5918 1 11 . 1 1 118 118 SER N N 118 115.616 115.616 113.932 1.684 25810 5919 1 11 . 1 1 118 118 SER HA H 118 4.322 4.322 4.244 0.078 25810 5920 1 11 . 1 1 118 118 SER CA C 118 59.082 59.082 61.221 -2.139 25810 5921 1 11 . 1 1 118 118 SER CB C 118 63.624 63.624 63.509 0.115 25810 5922 1 11 . 1 1 118 118 SER H H 118 8.346 8.346 7.732 0.614 25810 5923 1 11 . 1 1 119 119 LEU N N 119 122.984 122.984 122.242 0.742 25810 5924 1 11 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.494 -0.186 25810 5925 1 11 . 1 1 119 119 LEU CA C 119 55.503 55.503 54.984 0.519 25810 5926 1 11 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.111 0.150 25810 5927 1 11 . 1 1 119 119 LEU H H 119 7.970 7.970 7.397 0.573 25810 5928 1 11 . 1 1 120 120 ASP N N 120 120.516 120.516 120.115 0.401 25810 5929 1 11 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.397 0.213 25810 5930 1 11 . 1 1 120 120 ASP CA C 120 54.452 54.452 56.109 -1.657 25810 5931 1 11 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.716 -0.696 25810 5932 1 11 . 1 1 120 120 ASP H H 120 8.149 8.149 7.646 0.503 25810 5933 1 11 . 1 1 121 121 LEU N N 121 122.598 122.598 124.821 -2.223 25810 5934 1 11 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.408 -0.133 25810 5935 1 11 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.474 0.547 25810 5936 1 11 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.942 -0.888 25810 5937 1 11 . 1 1 121 121 LEU H H 121 8.111 8.111 8.026 0.085 25810 5938 1 11 . 1 1 122 122 ARG N N 122 119.425 119.425 122.557 -3.132 25810 5939 1 11 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.242 0.005 25810 5940 1 11 . 1 1 122 122 ARG CA C 122 56.615 56.615 56.321 0.294 25810 5941 1 11 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.994 -0.558 25810 5942 1 11 . 1 1 122 122 ARG H H 122 8.131 8.131 8.081 0.050 25810 5943 1 11 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.927 1.217 25810 5944 1 11 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.602 -0.479 25810 5945 1 11 . 1 1 124 124 HIS N N 124 117.075 117.075 121.658 -4.583 25810 5946 1 11 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.222 -0.125 25810 5947 1 11 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.566 -0.141 25810 5948 1 11 . 1 1 124 124 HIS H H 124 8.185 8.185 9.013 -0.828 25810 5949 1 11 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.679 -0.325 25810 5950 1 11 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.386 0.871 25810 5951 1 11 . 1 1 125 125 LEU CB C 125 42.301 42.301 43.114 -0.813 25810 5952 1 12 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 27.925 2.652 25810 5953 1 12 . 1 1 -7 -7 GLY N N -7 108.818 108.818 105.779 3.039 25810 5954 1 12 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.349 0.835 25810 5955 1 12 . 1 1 -7 -7 GLY H H -7 8.330 8.330 7.574 0.756 25810 5956 1 12 . 1 1 0 0 ASP N N 0 115.716 115.716 116.677 -0.961 25810 5957 1 12 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.287 0.201 25810 5958 1 12 . 1 1 0 0 ASP CA C 0 58.683 58.683 59.133 -0.450 25810 5959 1 12 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.611 0.385 25810 5960 1 12 . 1 1 0 0 ASP H H 0 8.155 8.155 7.649 0.506 25810 5961 1 12 . 1 1 1 1 MET N N 1 121.815 121.815 119.470 2.345 25810 5962 1 12 . 1 1 1 1 MET HA H 1 4.450 4.450 4.700 -0.250 25810 5963 1 12 . 1 1 1 1 MET CA C 1 55.996 55.996 54.528 1.468 25810 5964 1 12 . 1 1 1 1 MET CB C 1 32.334 32.334 31.950 0.384 25810 5965 1 12 . 1 1 1 1 MET H H 1 8.553 8.553 8.514 0.039 25810 5966 1 12 . 1 1 2 2 ASP N N 2 119.828 119.828 120.995 -1.167 25810 5967 1 12 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.395 0.086 25810 5968 1 12 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.459 -1.336 25810 5969 1 12 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.053 1.058 25810 5970 1 12 . 1 1 3 3 ASP N N 3 119.912 119.912 120.465 -0.553 25810 5971 1 12 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.449 0.027 25810 5972 1 12 . 1 1 3 3 ASP CA C 3 56.220 56.220 57.044 -0.824 25810 5973 1 12 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.123 0.819 25810 5974 1 12 . 1 1 3 3 ASP H H 3 8.098 8.098 8.551 -0.453 25810 5975 1 12 . 1 1 4 4 ILE N N 4 120.617 120.617 120.392 0.225 25810 5976 1 12 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.683 0.164 25810 5977 1 12 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.115 -0.278 25810 5978 1 12 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.596 0.191 25810 5979 1 12 . 1 1 4 4 ILE H H 4 7.897 7.897 7.731 0.167 25810 5980 1 12 . 1 1 5 5 TYR N N 5 121.116 121.116 119.193 1.923 25810 5981 1 12 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.885 0.423 25810 5982 1 12 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.737 -2.486 25810 5983 1 12 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.761 -0.172 25810 5984 1 12 . 1 1 5 5 TYR H H 5 7.961 7.961 7.812 0.149 25810 5985 1 12 . 1 1 6 6 LYS N N 6 120.005 120.005 119.029 0.976 25810 5986 1 12 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.919 0.004 25810 5987 1 12 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.655 -0.111 25810 5988 1 12 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.281 0.074 25810 5989 1 12 . 1 1 6 6 LYS H H 6 8.008 8.008 7.848 0.160 25810 5990 1 12 . 1 1 7 7 ALA N N 7 120.589 120.589 121.827 -1.238 25810 5991 1 12 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.407 -0.253 25810 5992 1 12 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.671 -0.154 25810 5993 1 12 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.399 -0.313 25810 5994 1 12 . 1 1 7 7 ALA H H 7 7.816 7.816 7.869 -0.053 25810 5995 1 12 . 1 1 8 8 ALA N N 8 120.065 120.065 121.845 -1.780 25810 5996 1 12 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.970 0.184 25810 5997 1 12 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.168 -0.470 25810 5998 1 12 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.061 0.422 25810 5999 1 12 . 1 1 8 8 ALA H H 8 7.622 7.622 8.394 -0.772 25810 6000 1 12 . 1 1 9 9 VAL N N 9 118.101 118.101 118.057 0.044 25810 6001 1 12 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.600 -0.041 25810 6002 1 12 . 1 1 9 9 VAL CA C 9 66.034 66.034 67.022 -0.988 25810 6003 1 12 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.310 0.372 25810 6004 1 12 . 1 1 9 9 VAL H H 9 7.974 7.974 7.818 0.156 25810 6005 1 12 . 1 1 10 10 GLU N N 10 118.217 118.217 117.799 0.418 25810 6006 1 12 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.031 0.096 25810 6007 1 12 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.752 -0.483 25810 6008 1 12 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.723 -0.159 25810 6009 1 12 . 1 1 10 10 GLU H H 10 7.682 7.682 7.597 0.085 25810 6010 1 12 . 1 1 11 11 GLN N N 11 114.903 114.903 116.594 -1.691 25810 6011 1 12 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.205 0.118 25810 6012 1 12 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.122 -1.470 25810 6013 1 12 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.909 -0.462 25810 6014 1 12 . 1 1 11 11 GLN H H 11 7.404 7.404 7.885 -0.480 25810 6015 1 12 . 1 1 12 12 LEU N N 12 120.467 120.467 120.287 0.180 25810 6016 1 12 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.267 0.315 25810 6017 1 12 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.871 0.126 25810 6018 1 12 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.599 0.967 25810 6019 1 12 . 1 1 12 12 LEU H H 12 7.354 7.354 8.223 -0.869 25810 6020 1 12 . 1 1 13 13 THR N N 13 113.431 113.431 110.104 3.327 25810 6021 1 12 . 1 1 13 13 THR HA H 13 4.462 4.462 4.640 -0.178 25810 6022 1 12 . 1 1 13 13 THR CA C 13 60.759 60.759 59.364 1.395 25810 6023 1 12 . 1 1 13 13 THR CB C 13 71.101 71.101 71.597 -0.497 25810 6024 1 12 . 1 1 13 13 THR H H 13 8.844 8.844 7.761 1.083 25810 6025 1 12 . 1 1 14 14 GLU N N 14 121.790 121.790 120.298 1.492 25810 6026 1 12 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.061 -0.098 25810 6027 1 12 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.223 -0.349 25810 6028 1 12 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.322 -0.004 25810 6029 1 12 . 1 1 14 14 GLU H H 14 9.013 9.013 9.004 0.009 25810 6030 1 12 . 1 1 15 15 GLU N N 15 117.495 117.495 119.764 -2.269 25810 6031 1 12 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.087 -0.027 25810 6032 1 12 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.303 1.029 25810 6033 1 12 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.093 0.083 25810 6034 1 12 . 1 1 15 15 GLU H H 15 8.653 8.653 8.049 0.604 25810 6035 1 12 . 1 1 16 16 GLN N N 16 119.205 119.205 117.606 1.599 25810 6036 1 12 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.327 -0.470 25810 6037 1 12 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.447 0.501 25810 6038 1 12 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.639 1.092 25810 6039 1 12 . 1 1 16 16 GLN H H 16 7.839 7.839 7.675 0.164 25810 6040 1 12 . 1 1 17 17 LYS N N 17 119.027 119.027 119.778 -0.751 25810 6041 1 12 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.175 -0.151 25810 6042 1 12 . 1 1 17 17 LYS CA C 17 61.688 61.688 60.613 1.075 25810 6043 1 12 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.202 -0.146 25810 6044 1 12 . 1 1 17 17 LYS H H 17 8.539 8.539 8.383 0.156 25810 6045 1 12 . 1 1 18 18 ASN N N 18 117.428 117.428 118.891 -1.463 25810 6046 1 12 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.440 0.122 25810 6047 1 12 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.795 -0.622 25810 6048 1 12 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.794 -0.990 25810 6049 1 12 . 1 1 18 18 ASN H H 18 8.552 8.552 8.500 0.052 25810 6050 1 12 . 1 1 19 19 GLU N N 19 123.611 123.611 118.841 4.770 25810 6051 1 12 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.073 0.132 25810 6052 1 12 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.062 0.737 25810 6053 1 12 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.107 0.299 25810 6054 1 12 . 1 1 19 19 GLU H H 19 8.012 8.012 7.964 0.048 25810 6055 1 12 . 1 1 20 20 PHE N N 20 117.357 117.357 122.549 -5.192 25810 6056 1 12 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.312 0.542 25810 6057 1 12 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.937 -0.204 25810 6058 1 12 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.038 -0.717 25810 6059 1 12 . 1 1 20 20 PHE H H 20 8.320 8.320 7.948 0.372 25810 6060 1 12 . 1 1 21 21 LYS N N 21 122.064 122.064 119.314 2.750 25810 6061 1 12 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.001 1.024 25810 6062 1 12 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.465 -0.791 25810 6063 1 12 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.972 -0.288 25810 6064 1 12 . 1 1 21 21 LYS H H 21 8.864 8.864 8.241 0.623 25810 6065 1 12 . 1 1 22 22 ALA N N 22 121.827 121.827 121.371 0.456 25810 6066 1 12 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.048 0.165 25810 6067 1 12 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.294 -0.563 25810 6068 1 12 . 1 1 22 22 ALA H H 22 8.009 8.009 7.548 0.461 25810 6069 1 12 . 1 1 23 23 ALA N N 23 119.945 119.945 121.611 -1.666 25810 6070 1 12 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.065 0.064 25810 6071 1 12 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.831 0.508 25810 6072 1 12 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.503 0.483 25810 6073 1 12 . 1 1 23 23 ALA H H 23 8.178 8.178 8.048 0.130 25810 6074 1 12 . 1 1 24 24 PHE N N 24 121.275 121.275 119.074 2.201 25810 6075 1 12 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.056 -0.518 25810 6076 1 12 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.589 0.824 25810 6077 1 12 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.983 0.758 25810 6078 1 12 . 1 1 24 24 PHE H H 24 8.925 8.925 8.779 0.146 25810 6079 1 12 . 1 1 25 25 ASP N N 25 117.407 117.407 119.976 -2.569 25810 6080 1 12 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.233 0.031 25810 6081 1 12 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.642 -0.628 25810 6082 1 12 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.249 -0.352 25810 6083 1 12 . 1 1 25 25 ASP H H 25 8.714 8.714 8.408 0.306 25810 6084 1 12 . 1 1 26 26 ILE N N 26 119.320 119.320 119.539 -0.219 25810 6085 1 12 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.582 0.235 25810 6086 1 12 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.434 -1.020 25810 6087 1 12 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.825 -0.383 25810 6088 1 12 . 1 1 26 26 ILE H H 26 7.337 7.337 7.448 -0.111 25810 6089 1 12 . 1 1 27 27 PHE N N 27 123.734 123.734 115.476 8.258 25810 6090 1 12 . 1 1 27 27 PHE CA C 27 60.576 60.576 60.312 0.264 25810 6091 1 12 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.082 1.536 25810 6092 1 12 . 1 1 27 27 PHE H H 27 8.139 8.139 7.685 0.454 25810 6093 1 12 . 1 1 28 28 VAL N N 28 105.007 105.007 112.752 -7.745 25810 6094 1 12 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.855 0.228 25810 6095 1 12 . 1 1 28 28 VAL CA C 28 61.156 61.156 62.177 -1.021 25810 6096 1 12 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.384 0.008 25810 6097 1 12 . 1 1 28 28 VAL H H 28 7.505 7.505 7.597 -0.092 25810 6098 1 12 . 1 1 29 29 LEU N N 29 126.175 126.175 122.251 3.924 25810 6099 1 12 . 1 1 29 29 LEU HA H 29 4.095 4.095 3.986 0.109 25810 6100 1 12 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.030 1.466 25810 6101 1 12 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.246 0.329 25810 6102 1 12 . 1 1 29 29 LEU H H 29 7.274 7.274 7.389 -0.115 25810 6103 1 12 . 1 1 30 30 GLY N N 30 113.173 113.173 111.269 1.904 25810 6104 1 12 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.678 0.862 25810 6105 1 12 . 1 1 30 30 GLY H H 30 8.950 8.950 8.197 0.753 25810 6106 1 12 . 1 1 31 31 ALA N N 31 124.109 124.109 124.311 -0.202 25810 6107 1 12 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.292 0.165 25810 6108 1 12 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.974 0.254 25810 6109 1 12 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.090 0.832 25810 6110 1 12 . 1 1 31 31 ALA H H 31 8.131 8.131 7.536 0.595 25810 6111 1 12 . 1 1 32 32 GLU N N 32 124.956 124.956 123.887 1.069 25810 6112 1 12 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.047 0.053 25810 6113 1 12 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.907 0.185 25810 6114 1 12 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.740 0.146 25810 6115 1 12 . 1 1 32 32 GLU H H 32 9.204 9.204 8.974 0.230 25810 6116 1 12 . 1 1 33 33 ASP N N 33 115.544 115.544 118.671 -3.127 25810 6117 1 12 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.513 0.252 25810 6118 1 12 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.745 -1.674 25810 6119 1 12 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.865 0.517 25810 6120 1 12 . 1 1 33 33 ASP H H 33 8.156 8.156 8.384 -0.228 25810 6121 1 12 . 1 1 34 34 GLY N N 34 105.580 105.580 105.017 0.563 25810 6122 1 12 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.146 1.593 25810 6123 1 12 . 1 1 34 34 GLY H H 34 7.582 7.582 8.399 -0.817 25810 6124 1 12 . 1 1 35 35 SER N N 35 113.292 113.292 113.186 0.106 25810 6125 1 12 . 1 1 35 35 SER HA H 35 4.960 4.960 4.813 0.147 25810 6126 1 12 . 1 1 35 35 SER CA C 35 57.390 57.390 56.340 1.050 25810 6127 1 12 . 1 1 35 35 SER CB C 35 66.240 66.240 66.095 0.145 25810 6128 1 12 . 1 1 35 35 SER H H 35 7.584 7.584 7.471 0.113 25810 6129 1 12 . 1 1 36 36 ILE N N 36 119.513 119.513 122.739 -3.226 25810 6130 1 12 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.195 -0.432 25810 6131 1 12 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.199 1.089 25810 6132 1 12 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.886 1.720 25810 6133 1 12 . 1 1 36 36 ILE H H 36 9.028 9.028 8.098 0.930 25810 6134 1 12 . 1 1 37 37 SER N N 37 126.146 126.146 122.974 3.172 25810 6135 1 12 . 1 1 37 37 SER HA H 37 5.198 5.198 4.852 0.346 25810 6136 1 12 . 1 1 37 37 SER CA C 37 57.010 57.010 56.512 0.498 25810 6137 1 12 . 1 1 37 37 SER CB C 37 67.563 67.563 65.998 1.565 25810 6138 1 12 . 1 1 37 37 SER H H 37 9.571 9.571 8.370 1.201 25810 6139 1 12 . 1 1 38 38 THR N N 38 111.059 111.059 115.472 -4.413 25810 6140 1 12 . 1 1 38 38 THR HA H 38 4.514 4.514 4.070 0.444 25810 6141 1 12 . 1 1 38 38 THR CA C 38 66.653 66.653 65.309 1.344 25810 6142 1 12 . 1 1 38 38 THR CB C 38 68.362 68.362 68.536 -0.174 25810 6143 1 12 . 1 1 38 38 THR H H 38 8.794 8.794 8.847 -0.053 25810 6144 1 12 . 1 1 39 39 LYS N N 39 123.369 123.369 120.685 2.684 25810 6145 1 12 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.019 0.037 25810 6146 1 12 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.884 -0.118 25810 6147 1 12 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.210 -0.007 25810 6148 1 12 . 1 1 39 39 LYS H H 39 8.044 8.044 7.593 0.451 25810 6149 1 12 . 1 1 40 40 GLU N N 40 119.970 119.970 119.280 0.690 25810 6150 1 12 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.193 -0.019 25810 6151 1 12 . 1 1 40 40 GLU CA C 40 61.272 61.272 58.951 2.321 25810 6152 1 12 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.513 0.679 25810 6153 1 12 . 1 1 40 40 GLU H H 40 7.714 7.714 7.870 -0.156 25810 6154 1 12 . 1 1 41 41 LEU N N 41 119.088 119.088 120.297 -1.209 25810 6155 1 12 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.106 0.143 25810 6156 1 12 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.569 0.302 25810 6157 1 12 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.820 0.416 25810 6158 1 12 . 1 1 41 41 LEU H H 41 8.375 8.375 7.978 0.397 25810 6159 1 12 . 1 1 42 42 GLY N N 42 106.311 106.311 107.753 -1.442 25810 6160 1 12 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.373 0.858 25810 6161 1 12 . 1 1 42 42 GLY H H 42 8.581 8.581 8.746 -0.165 25810 6162 1 12 . 1 1 43 43 LYS N N 43 120.717 120.717 122.510 -1.793 25810 6163 1 12 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.064 -0.093 25810 6164 1 12 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.080 0.960 25810 6165 1 12 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.260 0.133 25810 6166 1 12 . 1 1 43 43 LYS H H 43 7.293 7.293 7.686 -0.393 25810 6167 1 12 . 1 1 44 44 VAL N N 44 119.884 119.884 120.661 -0.777 25810 6168 1 12 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.704 -0.063 25810 6169 1 12 . 1 1 44 44 VAL CA C 44 66.444 66.444 67.027 -0.583 25810 6170 1 12 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.861 0.195 25810 6171 1 12 . 1 1 44 44 VAL H H 44 7.560 7.560 7.750 -0.190 25810 6172 1 12 . 1 1 45 45 MET N N 45 117.256 117.256 117.780 -0.524 25810 6173 1 12 . 1 1 45 45 MET HA H 45 4.179 4.179 4.155 0.024 25810 6174 1 12 . 1 1 45 45 MET CA C 45 57.934 57.934 57.602 0.332 25810 6175 1 12 . 1 1 45 45 MET CB C 45 31.407 31.407 31.380 0.027 25810 6176 1 12 . 1 1 45 45 MET H H 45 8.575 8.575 8.554 0.021 25810 6177 1 12 . 1 1 46 46 ARG N N 46 118.652 118.652 121.034 -2.382 25810 6178 1 12 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.212 0.382 25810 6179 1 12 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.448 -0.025 25810 6180 1 12 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.176 -0.316 25810 6181 1 12 . 1 1 46 46 ARG H H 46 8.080 8.080 8.312 -0.233 25810 6182 1 12 . 1 1 47 47 MET N N 47 122.632 122.632 118.207 4.425 25810 6183 1 12 . 1 1 47 47 MET HA H 47 4.179 4.179 4.191 -0.012 25810 6184 1 12 . 1 1 47 47 MET CA C 47 59.178 59.178 58.489 0.689 25810 6185 1 12 . 1 1 47 47 MET CB C 47 32.669 32.669 32.738 -0.069 25810 6186 1 12 . 1 1 47 47 MET H H 47 7.864 7.864 7.751 0.113 25810 6187 1 12 . 1 1 48 48 LEU N N 48 117.884 117.884 117.471 0.413 25810 6188 1 12 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.208 0.154 25810 6189 1 12 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.554 -1.016 25810 6190 1 12 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.358 -0.540 25810 6191 1 12 . 1 1 48 48 LEU H H 48 7.485 7.485 7.717 -0.232 25810 6192 1 12 . 1 1 49 49 GLY N N 49 107.912 107.912 105.741 2.171 25810 6193 1 12 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.580 1.383 25810 6194 1 12 . 1 1 49 49 GLY H H 49 7.884 7.884 7.576 0.308 25810 6195 1 12 . 1 1 50 50 GLN N N 50 117.606 117.606 120.690 -3.084 25810 6196 1 12 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.598 -0.097 25810 6197 1 12 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.472 -1.080 25810 6198 1 12 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.720 -0.947 25810 6199 1 12 . 1 1 50 50 GLN H H 50 8.096 8.096 8.353 -0.257 25810 6200 1 12 . 1 1 51 51 ASN N N 51 116.663 116.663 121.219 -4.556 25810 6201 1 12 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.063 0.059 25810 6202 1 12 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.398 0.832 25810 6203 1 12 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.039 1.107 25810 6204 1 12 . 1 1 51 51 ASN H H 51 8.693 8.693 8.547 0.146 25810 6205 1 12 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.543 0.146 25810 6206 1 12 . 1 1 53 53 THR N N 53 113.865 113.865 114.921 -1.056 25810 6207 1 12 . 1 1 53 53 THR H H 53 8.985 8.985 8.245 0.740 25810 6208 1 12 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.191 -0.005 25810 6209 1 12 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.689 0.573 25810 6210 1 12 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.967 -0.077 25810 6211 1 12 . 1 1 55 55 GLU N N 55 117.475 117.475 117.124 0.351 25810 6212 1 12 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.020 0.024 25810 6213 1 12 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.957 0.658 25810 6214 1 12 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.302 -0.567 25810 6215 1 12 . 1 1 55 55 GLU H H 55 8.785 8.785 8.975 -0.190 25810 6216 1 12 . 1 1 56 56 GLU N N 56 121.699 121.699 119.697 2.002 25810 6217 1 12 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.081 -0.057 25810 6218 1 12 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.984 0.271 25810 6219 1 12 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.654 0.442 25810 6220 1 12 . 1 1 56 56 GLU H H 56 7.815 7.815 7.635 0.180 25810 6221 1 12 . 1 1 57 57 LEU N N 57 118.421 118.421 120.150 -1.729 25810 6222 1 12 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.002 0.011 25810 6223 1 12 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.082 -1.520 25810 6224 1 12 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.781 0.951 25810 6225 1 12 . 1 1 57 57 LEU H H 57 8.246 8.246 8.017 0.229 25810 6226 1 12 . 1 1 58 58 GLN N N 58 118.349 118.349 119.301 -0.952 25810 6227 1 12 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.890 -0.193 25810 6228 1 12 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.412 -1.075 25810 6229 1 12 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.701 -0.133 25810 6230 1 12 . 1 1 58 58 GLN H H 58 8.003 8.003 8.344 -0.341 25810 6231 1 12 . 1 1 59 59 GLU N N 59 119.049 119.049 119.976 -0.927 25810 6232 1 12 . 1 1 59 59 GLU HA H 59 4.097 4.097 3.999 0.098 25810 6233 1 12 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.347 0.293 25810 6234 1 12 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.528 0.093 25810 6235 1 12 . 1 1 59 59 GLU H H 59 7.979 7.979 7.864 0.115 25810 6236 1 12 . 1 1 60 60 MET N N 60 117.492 117.492 118.699 -1.207 25810 6237 1 12 . 1 1 60 60 MET HA H 60 4.083 4.083 4.119 -0.036 25810 6238 1 12 . 1 1 60 60 MET CA C 60 59.764 59.764 59.388 0.376 25810 6239 1 12 . 1 1 60 60 MET CB C 60 34.533 34.533 32.684 1.849 25810 6240 1 12 . 1 1 60 60 MET H H 60 7.776 7.776 8.042 -0.266 25810 6241 1 12 . 1 1 61 61 ILE N N 61 118.035 118.035 120.700 -2.665 25810 6242 1 12 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.679 0.038 25810 6243 1 12 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.859 -1.746 25810 6244 1 12 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.397 -1.107 25810 6245 1 12 . 1 1 61 61 ILE H H 61 7.564 7.564 8.141 -0.577 25810 6246 1 12 . 1 1 62 62 ASP N N 62 119.355 119.355 120.605 -1.250 25810 6247 1 12 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.343 0.004 25810 6248 1 12 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.188 0.488 25810 6249 1 12 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.678 -0.326 25810 6250 1 12 . 1 1 62 62 ASP H H 62 8.801 8.801 8.006 0.795 25810 6251 1 12 . 1 1 63 63 GLU N N 63 116.439 116.439 118.486 -2.047 25810 6252 1 12 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.113 -0.050 25810 6253 1 12 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.523 0.298 25810 6254 1 12 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.788 0.336 25810 6255 1 12 . 1 1 63 63 GLU H H 63 7.702 7.702 7.693 0.009 25810 6256 1 12 . 1 1 64 64 VAL N N 64 112.796 112.796 118.088 -5.292 25810 6257 1 12 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.780 0.414 25810 6258 1 12 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.268 -3.657 25810 6259 1 12 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.163 0.501 25810 6260 1 12 . 1 1 64 64 VAL H H 64 7.151 7.151 7.901 -0.750 25810 6261 1 12 . 1 1 65 65 ASP N N 65 121.138 121.138 119.423 1.715 25810 6262 1 12 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.506 0.004 25810 6263 1 12 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.283 -1.718 25810 6264 1 12 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.268 -0.251 25810 6265 1 12 . 1 1 65 65 ASP H H 65 7.866 7.866 7.935 -0.069 25810 6266 1 12 . 1 1 66 66 GLU N N 66 128.324 128.324 125.358 2.966 25810 6267 1 12 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.083 0.111 25810 6268 1 12 . 1 1 66 66 GLU CA C 66 58.452 58.452 59.495 -1.043 25810 6269 1 12 . 1 1 66 66 GLU CB C 66 31.113 31.113 29.795 1.318 25810 6270 1 12 . 1 1 66 66 GLU H H 66 8.187 8.187 8.823 -0.636 25810 6271 1 12 . 1 1 67 67 ASP N N 67 114.662 114.662 116.068 -1.406 25810 6272 1 12 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.588 0.102 25810 6273 1 12 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.370 -0.610 25810 6274 1 12 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.602 -0.248 25810 6275 1 12 . 1 1 67 67 ASP H H 67 8.111 8.111 8.198 -0.087 25810 6276 1 12 . 1 1 68 68 GLY N N 68 109.084 109.084 107.488 1.596 25810 6277 1 12 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.689 1.447 25810 6278 1 12 . 1 1 68 68 GLY H H 68 7.771 7.771 7.956 -0.185 25810 6279 1 12 . 1 1 69 69 SER N N 69 117.283 117.283 115.813 1.470 25810 6280 1 12 . 1 1 69 69 SER HA H 69 4.217 4.217 4.210 0.007 25810 6281 1 12 . 1 1 69 69 SER CA C 69 60.270 60.270 59.550 0.720 25810 6282 1 12 . 1 1 69 69 SER CB C 69 64.648 64.648 63.998 0.650 25810 6283 1 12 . 1 1 69 69 SER H H 69 8.632 8.632 8.777 -0.145 25810 6284 1 12 . 1 1 70 70 GLY N N 70 116.242 116.242 109.317 6.925 25810 6285 1 12 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.147 0.341 25810 6286 1 12 . 1 1 70 70 GLY H H 70 10.710 10.710 8.351 2.359 25810 6287 1 12 . 1 1 71 71 THR N N 71 106.843 106.843 110.705 -3.862 25810 6288 1 12 . 1 1 71 71 THR HA H 71 4.941 4.941 4.481 0.460 25810 6289 1 12 . 1 1 71 71 THR CA C 71 58.422 58.422 59.736 -1.314 25810 6290 1 12 . 1 1 71 71 THR CB C 71 73.822 73.822 72.057 1.765 25810 6291 1 12 . 1 1 71 71 THR H H 71 7.551 7.551 7.451 0.100 25810 6292 1 12 . 1 1 72 72 VAL N N 72 127.231 127.231 123.317 3.914 25810 6293 1 12 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.678 0.396 25810 6294 1 12 . 1 1 72 72 VAL CA C 72 61.797 61.797 62.083 -0.285 25810 6295 1 12 . 1 1 72 72 VAL CB C 72 33.925 33.925 31.901 2.023 25810 6296 1 12 . 1 1 72 72 VAL H H 72 9.690 9.690 8.618 1.072 25810 6297 1 12 . 1 1 73 73 ASP N N 73 129.232 129.232 126.241 2.991 25810 6298 1 12 . 1 1 73 73 ASP HA H 73 5.092 5.092 5.043 0.049 25810 6299 1 12 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.168 -0.787 25810 6300 1 12 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.046 -0.006 25810 6301 1 12 . 1 1 73 73 ASP H H 73 8.828 8.828 9.297 -0.469 25810 6302 1 12 . 1 1 74 74 PHE N N 74 118.313 118.313 120.187 -1.874 25810 6303 1 12 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.136 -0.855 25810 6304 1 12 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.180 -0.811 25810 6305 1 12 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.531 -0.941 25810 6306 1 12 . 1 1 74 74 PHE H H 74 8.496 8.496 9.036 -0.540 25810 6307 1 12 . 1 1 75 75 ASP N N 75 117.592 117.592 118.804 -1.212 25810 6308 1 12 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.041 -0.117 25810 6309 1 12 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.837 0.020 25810 6310 1 12 . 1 1 75 75 ASP CB C 75 39.984 39.984 40.653 -0.669 25810 6311 1 12 . 1 1 75 75 ASP H H 75 7.708 7.708 8.395 -0.687 25810 6312 1 12 . 1 1 76 76 GLU N N 76 120.100 120.100 121.277 -1.177 25810 6313 1 12 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.055 -0.136 25810 6314 1 12 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.307 -0.897 25810 6315 1 12 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.721 0.506 25810 6316 1 12 . 1 1 76 76 GLU H H 76 8.267 8.267 9.391 -1.124 25810 6317 1 12 . 1 1 77 77 PHE N N 77 122.101 122.101 121.983 0.118 25810 6318 1 12 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.188 -0.497 25810 6319 1 12 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.510 -0.594 25810 6320 1 12 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.374 0.696 25810 6321 1 12 . 1 1 77 77 PHE H H 77 8.760 8.760 8.839 -0.079 25810 6322 1 12 . 1 1 78 78 LEU N N 78 120.110 120.110 119.462 0.648 25810 6323 1 12 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.596 -0.369 25810 6324 1 12 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.770 0.345 25810 6325 1 12 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.591 0.019 25810 6326 1 12 . 1 1 78 78 LEU H H 78 8.404 8.404 8.064 0.340 25810 6327 1 12 . 1 1 79 79 VAL N N 79 116.259 116.259 118.330 -2.071 25810 6328 1 12 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.283 -0.076 25810 6329 1 12 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.459 0.170 25810 6330 1 12 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.164 0.273 25810 6331 1 12 . 1 1 79 79 VAL H H 79 7.132 7.132 7.310 -0.178 25810 6332 1 12 . 1 1 80 80 MET N N 80 118.429 118.429 117.346 1.083 25810 6333 1 12 . 1 1 80 80 MET HA H 80 3.810 3.810 3.957 -0.147 25810 6334 1 12 . 1 1 80 80 MET CA C 80 57.828 57.828 58.785 -0.957 25810 6335 1 12 . 1 1 80 80 MET CB C 80 31.114 31.114 32.425 -1.311 25810 6336 1 12 . 1 1 80 80 MET H H 80 7.191 7.191 7.725 -0.534 25810 6337 1 12 . 1 1 81 81 MET H H 81 8.104 8.104 7.735 0.369 25810 6338 1 12 . 1 1 86 86 LYS N N 86 118.058 118.058 122.287 -4.229 25810 6339 1 12 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.919 0.381 25810 6340 1 12 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.943 -2.545 25810 6341 1 12 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.616 0.230 25810 6342 1 12 . 1 1 86 86 LYS H H 86 7.750 7.750 8.447 -0.697 25810 6343 1 12 . 1 1 87 87 ASP N N 87 120.199 120.199 118.228 1.971 25810 6344 1 12 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.419 0.239 25810 6345 1 12 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.455 -2.338 25810 6346 1 12 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.615 0.761 25810 6347 1 12 . 1 1 87 87 ASP H H 87 8.102 8.102 7.614 0.488 25810 6348 1 12 . 1 1 88 88 ASP N N 88 121.497 121.497 118.263 3.234 25810 6349 1 12 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.436 0.254 25810 6350 1 12 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.514 -1.848 25810 6351 1 12 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.496 0.661 25810 6352 1 12 . 1 1 88 88 ASP H H 88 8.363 8.363 8.311 0.052 25810 6353 1 12 . 1 1 89 89 SER N N 89 115.602 115.602 114.423 1.179 25810 6354 1 12 . 1 1 89 89 SER HA H 89 4.347 4.347 4.153 0.194 25810 6355 1 12 . 1 1 89 89 SER CA C 89 59.571 59.571 61.296 -1.725 25810 6356 1 12 . 1 1 89 89 SER CB C 89 63.999 63.999 63.170 0.829 25810 6357 1 12 . 1 1 89 89 SER H H 89 8.251 8.251 7.939 0.312 25810 6358 1 12 . 1 1 90 90 GLU N N 90 121.265 121.265 121.588 -0.323 25810 6359 1 12 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.130 0.100 25810 6360 1 12 . 1 1 90 90 GLU CA C 90 57.052 57.052 56.614 0.438 25810 6361 1 12 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.835 -0.025 25810 6362 1 12 . 1 1 90 90 GLU H H 90 8.331 8.331 7.798 0.533 25810 6363 1 12 . 1 1 91 91 ASN N N 91 118.544 118.544 119.412 -0.868 25810 6364 1 12 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.326 0.329 25810 6365 1 12 . 1 1 91 91 ASN CA C 91 53.461 53.461 54.128 -0.667 25810 6366 1 12 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.622 1.586 25810 6367 1 12 . 1 1 91 91 ASN H H 91 8.131 8.131 8.032 0.099 25810 6368 1 12 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.584 -0.591 25810 6369 1 12 . 1 1 95 95 GLN CA C 95 56.411 56.411 54.020 2.391 25810 6370 1 12 . 1 1 95 95 GLN CB C 95 29.282 29.282 28.509 0.773 25810 6371 1 12 . 1 1 96 96 GLY N N 96 109.372 109.372 109.312 0.060 25810 6372 1 12 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.152 0.536 25810 6373 1 12 . 1 1 96 96 GLY H H 96 8.110 8.110 8.238 -0.128 25810 6374 1 12 . 1 1 97 97 ARG N N 97 120.154 120.154 120.857 -0.703 25810 6375 1 12 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.249 0.218 25810 6376 1 12 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.842 -0.276 25810 6377 1 12 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.512 0.993 25810 6378 1 12 . 1 1 97 97 ARG H H 97 7.966 7.966 7.937 0.029 25810 6379 1 12 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.329 -0.187 25810 6380 1 12 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.558 -0.519 25810 6381 1 12 . 1 1 99 99 VAL CB C 99 30.875 30.875 34.305 -3.430 25810 6382 1 12 . 1 1 100 100 ARG N N 100 125.661 125.661 127.767 -2.106 25810 6383 1 12 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.566 -0.065 25810 6384 1 12 . 1 1 100 100 ARG CA C 100 55.557 55.557 55.937 -0.380 25810 6385 1 12 . 1 1 100 100 ARG H H 100 8.379 8.379 8.576 -0.198 25810 6386 1 12 . 1 1 102 102 SER HA H 102 4.356 4.356 4.595 -0.238 25810 6387 1 12 . 1 1 102 102 SER CA C 102 57.361 57.361 57.057 0.304 25810 6388 1 12 . 1 1 102 102 SER CB C 102 65.237 65.237 64.696 0.541 25810 6389 1 12 . 1 1 103 103 ALA N N 103 125.468 125.468 124.603 0.865 25810 6390 1 12 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.086 -0.075 25810 6391 1 12 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.034 0.951 25810 6392 1 12 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.026 0.567 25810 6393 1 12 . 1 1 103 103 ALA H H 103 9.148 9.148 8.778 0.370 25810 6394 1 12 . 1 1 104 104 ASP N N 104 115.217 115.217 119.193 -3.976 25810 6395 1 12 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.368 -0.060 25810 6396 1 12 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.176 0.131 25810 6397 1 12 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.069 0.909 25810 6398 1 12 . 1 1 104 104 ASP H H 104 8.517 8.517 8.556 -0.039 25810 6399 1 12 . 1 1 105 105 ALA N N 105 122.884 122.884 123.463 -0.579 25810 6400 1 12 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.072 0.008 25810 6401 1 12 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.929 0.175 25810 6402 1 12 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.599 -0.263 25810 6403 1 12 . 1 1 105 105 ALA H H 105 7.953 7.953 7.793 0.160 25810 6404 1 12 . 1 1 106 106 MET N N 106 118.710 118.710 119.285 -0.575 25810 6405 1 12 . 1 1 106 106 MET HA H 106 3.987 3.987 4.056 -0.069 25810 6406 1 12 . 1 1 106 106 MET CA C 106 59.704 59.704 59.195 0.509 25810 6407 1 12 . 1 1 106 106 MET CB C 106 33.450 33.450 32.685 0.765 25810 6408 1 12 . 1 1 106 106 MET H H 106 8.186 8.186 7.939 0.247 25810 6409 1 12 . 1 1 107 107 MET N N 107 116.864 116.864 119.406 -2.542 25810 6410 1 12 . 1 1 107 107 MET HA H 107 4.446 4.446 3.978 0.468 25810 6411 1 12 . 1 1 107 107 MET CA C 107 57.649 57.649 59.537 -1.888 25810 6412 1 12 . 1 1 107 107 MET CB C 107 31.359 31.359 32.481 -1.123 25810 6413 1 12 . 1 1 107 107 MET H H 107 8.483 8.483 7.777 0.706 25810 6414 1 12 . 1 1 108 108 GLN N N 108 117.959 117.959 119.380 -1.421 25810 6415 1 12 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.954 0.055 25810 6416 1 12 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.154 -0.168 25810 6417 1 12 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.819 -0.299 25810 6418 1 12 . 1 1 108 108 GLN H H 108 8.359 8.359 8.146 0.213 25810 6419 1 12 . 1 1 109 109 ALA N N 109 121.657 121.657 122.616 -0.959 25810 6420 1 12 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.085 0.054 25810 6421 1 12 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.862 -0.097 25810 6422 1 12 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.325 0.114 25810 6423 1 12 . 1 1 109 109 ALA H H 109 7.855 7.855 8.371 -0.516 25810 6424 1 12 . 1 1 110 110 LEU N N 110 116.183 116.183 119.285 -3.102 25810 6425 1 12 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.026 0.099 25810 6426 1 12 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.447 -0.015 25810 6427 1 12 . 1 1 110 110 LEU CB C 110 42.632 42.632 41.958 0.674 25810 6428 1 12 . 1 1 110 110 LEU H H 110 7.933 7.933 8.017 -0.084 25810 6429 1 12 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.938 -0.328 25810 6430 1 12 . 1 1 111 111 LEU CB C 111 42.892 42.892 43.102 -0.210 25810 6431 1 12 . 1 1 112 112 GLY N N 112 109.198 109.198 105.472 3.726 25810 6432 1 12 . 1 1 112 112 GLY CA C 112 46.067 46.067 44.570 1.497 25810 6433 1 12 . 1 1 112 112 GLY H H 112 7.928 7.928 7.647 0.281 25810 6434 1 12 . 1 1 113 113 ALA N N 113 124.374 124.374 122.211 2.163 25810 6435 1 12 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.136 0.127 25810 6436 1 12 . 1 1 113 113 ALA CA C 113 53.404 53.404 53.801 -0.397 25810 6437 1 12 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.766 -0.053 25810 6438 1 12 . 1 1 113 113 ALA H H 113 8.211 8.211 8.473 -0.262 25810 6439 1 12 . 1 1 114 114 ARG N N 114 117.947 117.947 119.840 -1.893 25810 6440 1 12 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.309 -0.062 25810 6441 1 12 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.548 0.020 25810 6442 1 12 . 1 1 114 114 ARG CB C 114 30.389 30.389 31.244 -0.855 25810 6443 1 12 . 1 1 114 114 ARG H H 114 7.974 7.974 8.368 -0.394 25810 6444 1 12 . 1 1 115 115 ALA N N 115 123.079 123.079 126.856 -3.777 25810 6445 1 12 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.387 -0.171 25810 6446 1 12 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.836 0.947 25810 6447 1 12 . 1 1 115 115 ALA CB C 115 18.915 18.915 20.132 -1.217 25810 6448 1 12 . 1 1 115 115 ALA H H 115 7.969 7.969 8.335 -0.366 25810 6449 1 12 . 1 1 116 116 LYS N N 116 120.562 120.562 117.745 2.817 25810 6450 1 12 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.056 0.183 25810 6451 1 12 . 1 1 116 116 LYS CA C 116 57.421 57.421 57.063 0.358 25810 6452 1 12 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.389 0.984 25810 6453 1 12 . 1 1 116 116 LYS H H 116 8.310 8.310 8.288 0.022 25810 6454 1 12 . 1 1 117 117 GLU N N 117 121.115 121.115 120.027 1.088 25810 6455 1 12 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.338 -0.079 25810 6456 1 12 . 1 1 117 117 GLU CA C 117 57.347 57.347 56.892 0.455 25810 6457 1 12 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.712 0.325 25810 6458 1 12 . 1 1 117 117 GLU H H 117 8.646 8.646 8.668 -0.022 25810 6459 1 12 . 1 1 118 118 SER N N 118 115.616 115.616 115.913 -0.297 25810 6460 1 12 . 1 1 118 118 SER HA H 118 4.322 4.322 4.192 0.130 25810 6461 1 12 . 1 1 118 118 SER CA C 118 59.082 59.082 61.702 -2.619 25810 6462 1 12 . 1 1 118 118 SER CB C 118 63.624 63.624 63.215 0.409 25810 6463 1 12 . 1 1 118 118 SER H H 118 8.346 8.346 8.219 0.127 25810 6464 1 12 . 1 1 119 119 LEU N N 119 122.984 122.984 119.043 3.941 25810 6465 1 12 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.109 0.199 25810 6466 1 12 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.273 -0.770 25810 6467 1 12 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.184 0.077 25810 6468 1 12 . 1 1 119 119 LEU H H 119 7.970 7.970 7.758 0.212 25810 6469 1 12 . 1 1 120 120 ASP N N 120 120.516 120.516 117.835 2.681 25810 6470 1 12 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.690 -0.080 25810 6471 1 12 . 1 1 120 120 ASP CA C 120 54.452 54.452 53.569 0.883 25810 6472 1 12 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.803 -0.783 25810 6473 1 12 . 1 1 120 120 ASP H H 120 8.149 8.149 7.873 0.276 25810 6474 1 12 . 1 1 121 121 LEU N N 121 122.598 122.598 120.497 2.101 25810 6475 1 12 . 1 1 121 121 LEU HA H 121 4.275 4.275 3.950 0.325 25810 6476 1 12 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.734 0.287 25810 6477 1 12 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.322 -0.268 25810 6478 1 12 . 1 1 121 121 LEU H H 121 8.111 8.111 8.475 -0.364 25810 6479 1 12 . 1 1 122 122 ARG N N 122 119.425 119.425 122.259 -2.834 25810 6480 1 12 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.399 -0.152 25810 6481 1 12 . 1 1 122 122 ARG CA C 122 56.615 56.615 55.554 1.061 25810 6482 1 12 . 1 1 122 122 ARG CB C 122 30.436 30.436 32.246 -1.810 25810 6483 1 12 . 1 1 122 122 ARG H H 122 8.131 8.131 8.258 -0.127 25810 6484 1 12 . 1 1 123 123 ALA CA C 123 53.144 53.144 53.320 -0.176 25810 6485 1 12 . 1 1 123 123 ALA CB C 123 19.123 19.123 17.736 1.387 25810 6486 1 12 . 1 1 124 124 HIS N N 124 117.075 117.075 118.171 -1.096 25810 6487 1 12 . 1 1 124 124 HIS CA C 124 56.097 56.097 54.545 1.552 25810 6488 1 12 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.347 0.078 25810 6489 1 12 . 1 1 124 124 HIS H H 124 8.185 8.185 8.203 -0.018 25810 6490 1 12 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.125 0.229 25810 6491 1 12 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.764 -0.507 25810 6492 1 12 . 1 1 125 125 LEU CB C 125 42.301 42.301 41.903 0.398 25810 6493 1 13 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 29.315 1.262 25810 6494 1 13 . 1 1 -7 -7 GLY N N -7 108.818 108.818 108.196 0.622 25810 6495 1 13 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.486 0.698 25810 6496 1 13 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.524 -0.194 25810 6497 1 13 . 1 1 0 0 ASP N N 0 115.716 115.716 114.390 1.326 25810 6498 1 13 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.225 0.263 25810 6499 1 13 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.717 -0.034 25810 6500 1 13 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.409 0.587 25810 6501 1 13 . 1 1 0 0 ASP H H 0 8.155 8.155 8.632 -0.477 25810 6502 1 13 . 1 1 1 1 MET N N 1 121.815 121.815 119.724 2.091 25810 6503 1 13 . 1 1 1 1 MET HA H 1 4.450 4.450 4.623 -0.173 25810 6504 1 13 . 1 1 1 1 MET CA C 1 55.996 55.996 56.416 -0.420 25810 6505 1 13 . 1 1 1 1 MET CB C 1 32.334 32.334 32.689 -0.355 25810 6506 1 13 . 1 1 1 1 MET H H 1 8.553 8.553 8.481 0.072 25810 6507 1 13 . 1 1 2 2 ASP N N 2 119.828 119.828 122.402 -2.574 25810 6508 1 13 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.397 0.084 25810 6509 1 13 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.857 -1.734 25810 6510 1 13 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.905 1.206 25810 6511 1 13 . 1 1 3 3 ASP N N 3 119.912 119.912 119.900 0.012 25810 6512 1 13 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.470 0.006 25810 6513 1 13 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.832 -0.612 25810 6514 1 13 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.558 0.384 25810 6515 1 13 . 1 1 3 3 ASP H H 3 8.098 8.098 7.959 0.139 25810 6516 1 13 . 1 1 4 4 ILE N N 4 120.617 120.617 120.046 0.571 25810 6517 1 13 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.688 0.159 25810 6518 1 13 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.900 -1.063 25810 6519 1 13 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.990 -0.202 25810 6520 1 13 . 1 1 4 4 ILE H H 4 7.897 7.897 7.570 0.327 25810 6521 1 13 . 1 1 5 5 TYR N N 5 121.116 121.116 120.188 0.928 25810 6522 1 13 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.944 0.364 25810 6523 1 13 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.787 -1.536 25810 6524 1 13 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.227 -0.638 25810 6525 1 13 . 1 1 5 5 TYR H H 5 7.961 7.961 8.084 -0.123 25810 6526 1 13 . 1 1 6 6 LYS N N 6 120.005 120.005 119.407 0.598 25810 6527 1 13 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.606 0.317 25810 6528 1 13 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.356 0.188 25810 6529 1 13 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.352 0.003 25810 6530 1 13 . 1 1 6 6 LYS H H 6 8.008 8.008 8.055 -0.047 25810 6531 1 13 . 1 1 7 7 ALA N N 7 120.589 120.589 121.509 -0.920 25810 6532 1 13 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.065 0.089 25810 6533 1 13 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.828 -0.311 25810 6534 1 13 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.310 -0.224 25810 6535 1 13 . 1 1 7 7 ALA H H 7 7.816 7.816 8.235 -0.419 25810 6536 1 13 . 1 1 8 8 ALA N N 8 120.065 120.065 121.720 -1.655 25810 6537 1 13 . 1 1 8 8 ALA HA H 8 4.154 4.154 4.145 0.009 25810 6538 1 13 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.725 -0.027 25810 6539 1 13 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.285 0.199 25810 6540 1 13 . 1 1 8 8 ALA H H 8 7.622 7.622 8.167 -0.545 25810 6541 1 13 . 1 1 9 9 VAL N N 9 118.101 118.101 118.951 -0.850 25810 6542 1 13 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.719 -0.160 25810 6543 1 13 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.644 -0.610 25810 6544 1 13 . 1 1 9 9 VAL CB C 9 31.682 31.682 30.929 0.753 25810 6545 1 13 . 1 1 9 9 VAL H H 9 7.974 7.974 7.573 0.401 25810 6546 1 13 . 1 1 10 10 GLU N N 10 118.217 118.217 119.558 -1.341 25810 6547 1 13 . 1 1 10 10 GLU HA H 10 4.127 4.127 3.950 0.177 25810 6548 1 13 . 1 1 10 10 GLU CA C 10 58.269 58.269 59.038 -0.770 25810 6549 1 13 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.587 -0.023 25810 6550 1 13 . 1 1 10 10 GLU H H 10 7.682 7.682 7.560 0.122 25810 6551 1 13 . 1 1 11 11 GLN N N 11 114.903 114.903 116.485 -1.582 25810 6552 1 13 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.154 0.169 25810 6553 1 13 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.729 -2.077 25810 6554 1 13 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.877 -0.429 25810 6555 1 13 . 1 1 11 11 GLN H H 11 7.404 7.404 7.753 -0.349 25810 6556 1 13 . 1 1 12 12 LEU N N 12 120.467 120.467 119.106 1.361 25810 6557 1 13 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.918 -0.336 25810 6558 1 13 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.137 1.860 25810 6559 1 13 . 1 1 12 12 LEU CB C 12 43.566 43.566 44.595 -1.029 25810 6560 1 13 . 1 1 12 12 LEU H H 12 7.354 7.354 8.069 -0.715 25810 6561 1 13 . 1 1 13 13 THR N N 13 113.431 113.431 113.834 -0.403 25810 6562 1 13 . 1 1 13 13 THR HA H 13 4.462 4.462 4.567 -0.105 25810 6563 1 13 . 1 1 13 13 THR CA C 13 60.759 60.759 60.434 0.324 25810 6564 1 13 . 1 1 13 13 THR CB C 13 71.101 71.101 70.476 0.625 25810 6565 1 13 . 1 1 13 13 THR H H 13 8.844 8.844 8.185 0.659 25810 6566 1 13 . 1 1 14 14 GLU N N 14 121.790 121.790 121.618 0.172 25810 6567 1 13 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.972 -0.009 25810 6568 1 13 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.332 -0.458 25810 6569 1 13 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.241 0.077 25810 6570 1 13 . 1 1 14 14 GLU H H 14 9.013 9.013 9.026 -0.013 25810 6571 1 13 . 1 1 15 15 GLU N N 15 117.495 117.495 118.639 -1.144 25810 6572 1 13 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.086 -0.026 25810 6573 1 13 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.638 0.694 25810 6574 1 13 . 1 1 15 15 GLU CB C 15 29.176 29.176 28.827 0.349 25810 6575 1 13 . 1 1 15 15 GLU H H 15 8.653 8.653 8.613 0.040 25810 6576 1 13 . 1 1 16 16 GLN N N 16 119.205 119.205 119.757 -0.552 25810 6577 1 13 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.018 -0.161 25810 6578 1 13 . 1 1 16 16 GLN CA C 16 58.948 58.948 59.037 -0.089 25810 6579 1 13 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.619 1.112 25810 6580 1 13 . 1 1 16 16 GLN H H 16 7.839 7.839 7.758 0.081 25810 6581 1 13 . 1 1 17 17 LYS N N 17 119.027 119.027 119.289 -0.262 25810 6582 1 13 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.004 0.020 25810 6583 1 13 . 1 1 17 17 LYS CA C 17 61.688 61.688 60.507 1.181 25810 6584 1 13 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.271 -0.215 25810 6585 1 13 . 1 1 17 17 LYS H H 17 8.539 8.539 8.016 0.523 25810 6586 1 13 . 1 1 18 18 ASN N N 18 117.428 117.428 118.083 -0.655 25810 6587 1 13 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.511 0.051 25810 6588 1 13 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.001 0.172 25810 6589 1 13 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.057 -0.253 25810 6590 1 13 . 1 1 18 18 ASN H H 18 8.552 8.552 8.006 0.546 25810 6591 1 13 . 1 1 19 19 GLU N N 19 123.611 123.611 120.255 3.356 25810 6592 1 13 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.203 0.002 25810 6593 1 13 . 1 1 19 19 GLU CA C 19 59.798 59.798 58.934 0.864 25810 6594 1 13 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.635 -0.229 25810 6595 1 13 . 1 1 19 19 GLU H H 19 8.012 8.012 7.866 0.146 25810 6596 1 13 . 1 1 20 20 PHE N N 20 117.357 117.357 121.432 -4.075 25810 6597 1 13 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.294 0.560 25810 6598 1 13 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.344 0.389 25810 6599 1 13 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.400 -1.078 25810 6600 1 13 . 1 1 20 20 PHE H H 20 8.320 8.320 8.893 -0.574 25810 6601 1 13 . 1 1 21 21 LYS N N 21 122.064 122.064 119.894 2.170 25810 6602 1 13 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.027 -0.002 25810 6603 1 13 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.766 -1.092 25810 6604 1 13 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.277 -0.593 25810 6605 1 13 . 1 1 21 21 LYS H H 21 8.864 8.864 8.164 0.700 25810 6606 1 13 . 1 1 22 22 ALA N N 22 121.827 121.827 120.701 1.126 25810 6607 1 13 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.127 0.086 25810 6608 1 13 . 1 1 22 22 ALA CB C 22 17.731 17.731 17.959 -0.228 25810 6609 1 13 . 1 1 22 22 ALA H H 22 8.009 8.009 7.692 0.317 25810 6610 1 13 . 1 1 23 23 ALA N N 23 119.945 119.945 121.578 -1.633 25810 6611 1 13 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.022 0.107 25810 6612 1 13 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.500 0.839 25810 6613 1 13 . 1 1 23 23 ALA CB C 23 18.986 18.986 17.813 1.173 25810 6614 1 13 . 1 1 23 23 ALA H H 23 8.178 8.178 7.308 0.870 25810 6615 1 13 . 1 1 24 24 PHE N N 24 121.275 121.275 118.794 2.481 25810 6616 1 13 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.694 -0.156 25810 6617 1 13 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.224 1.189 25810 6618 1 13 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.993 0.748 25810 6619 1 13 . 1 1 24 24 PHE H H 24 8.925 8.925 7.571 1.354 25810 6620 1 13 . 1 1 25 25 ASP N N 25 117.407 117.407 119.328 -1.921 25810 6621 1 13 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.267 -0.003 25810 6622 1 13 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.194 -0.180 25810 6623 1 13 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.736 -0.839 25810 6624 1 13 . 1 1 25 25 ASP H H 25 8.714 8.714 8.004 0.710 25810 6625 1 13 . 1 1 26 26 ILE N N 26 119.320 119.320 118.623 0.697 25810 6626 1 13 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.633 0.184 25810 6627 1 13 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.623 -1.209 25810 6628 1 13 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.959 -0.517 25810 6629 1 13 . 1 1 26 26 ILE H H 26 7.337 7.337 7.362 -0.025 25810 6630 1 13 . 1 1 27 27 PHE N N 27 123.734 123.734 118.187 5.547 25810 6631 1 13 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.325 -0.749 25810 6632 1 13 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.240 1.378 25810 6633 1 13 . 1 1 27 27 PHE H H 27 8.139 8.139 7.509 0.630 25810 6634 1 13 . 1 1 28 28 VAL N N 28 105.007 105.007 110.655 -5.648 25810 6635 1 13 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.186 -0.103 25810 6636 1 13 . 1 1 28 28 VAL CA C 28 61.156 61.156 60.643 0.513 25810 6637 1 13 . 1 1 28 28 VAL CB C 28 31.392 31.392 30.968 0.424 25810 6638 1 13 . 1 1 28 28 VAL H H 28 7.505 7.505 7.179 0.326 25810 6639 1 13 . 1 1 29 29 LEU N N 29 126.175 126.175 120.796 5.379 25810 6640 1 13 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.361 -0.266 25810 6641 1 13 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.202 1.294 25810 6642 1 13 . 1 1 29 29 LEU CB C 29 41.575 41.575 40.963 0.612 25810 6643 1 13 . 1 1 29 29 LEU H H 29 7.274 7.274 7.433 -0.159 25810 6644 1 13 . 1 1 30 30 GLY N N 30 113.173 113.173 109.647 3.526 25810 6645 1 13 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.168 0.372 25810 6646 1 13 . 1 1 30 30 GLY H H 30 8.950 8.950 8.642 0.308 25810 6647 1 13 . 1 1 31 31 ALA N N 31 124.109 124.109 121.767 2.342 25810 6648 1 13 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.177 0.280 25810 6649 1 13 . 1 1 31 31 ALA CA C 31 52.228 52.228 52.245 -0.017 25810 6650 1 13 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.425 0.497 25810 6651 1 13 . 1 1 31 31 ALA H H 31 8.131 8.131 7.389 0.742 25810 6652 1 13 . 1 1 32 32 GLU N N 32 124.956 124.956 124.153 0.803 25810 6653 1 13 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.088 0.012 25810 6654 1 13 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.857 0.236 25810 6655 1 13 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.764 0.122 25810 6656 1 13 . 1 1 32 32 GLU H H 32 9.204 9.204 9.036 0.168 25810 6657 1 13 . 1 1 33 33 ASP N N 33 115.544 115.544 118.078 -2.534 25810 6658 1 13 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.684 0.081 25810 6659 1 13 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.654 -1.583 25810 6660 1 13 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.144 0.239 25810 6661 1 13 . 1 1 33 33 ASP H H 33 8.156 8.156 8.498 -0.342 25810 6662 1 13 . 1 1 34 34 GLY N N 34 105.580 105.580 107.760 -2.180 25810 6663 1 13 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.264 1.475 25810 6664 1 13 . 1 1 34 34 GLY H H 34 7.582 7.582 8.445 -0.863 25810 6665 1 13 . 1 1 35 35 SER N N 35 113.292 113.292 114.545 -1.253 25810 6666 1 13 . 1 1 35 35 SER HA H 35 4.960 4.960 4.637 0.323 25810 6667 1 13 . 1 1 35 35 SER CA C 35 57.390 57.390 56.382 1.008 25810 6668 1 13 . 1 1 35 35 SER CB C 35 66.240 66.240 66.290 -0.050 25810 6669 1 13 . 1 1 35 35 SER H H 35 7.584 7.584 7.520 0.064 25810 6670 1 13 . 1 1 36 36 ILE N N 36 119.513 119.513 120.630 -1.117 25810 6671 1 13 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.223 -0.460 25810 6672 1 13 . 1 1 36 36 ILE CA C 36 63.288 63.288 60.411 2.877 25810 6673 1 13 . 1 1 36 36 ILE CB C 36 39.605 39.605 36.712 2.893 25810 6674 1 13 . 1 1 36 36 ILE H H 36 9.028 9.028 8.067 0.961 25810 6675 1 13 . 1 1 37 37 SER N N 37 126.146 126.146 120.535 5.611 25810 6676 1 13 . 1 1 37 37 SER HA H 37 5.198 5.198 4.966 0.232 25810 6677 1 13 . 1 1 37 37 SER CA C 37 57.010 57.010 56.157 0.853 25810 6678 1 13 . 1 1 37 37 SER CB C 37 67.563 67.563 65.800 1.763 25810 6679 1 13 . 1 1 37 37 SER H H 37 9.571 9.571 8.563 1.008 25810 6680 1 13 . 1 1 38 38 THR N N 38 111.059 111.059 116.337 -5.278 25810 6681 1 13 . 1 1 38 38 THR HA H 38 4.514 4.514 4.072 0.442 25810 6682 1 13 . 1 1 38 38 THR CA C 38 66.653 66.653 66.197 0.456 25810 6683 1 13 . 1 1 38 38 THR CB C 38 68.362 68.362 68.716 -0.354 25810 6684 1 13 . 1 1 38 38 THR H H 38 8.794 8.794 8.615 0.179 25810 6685 1 13 . 1 1 39 39 LYS N N 39 123.369 123.369 120.559 2.810 25810 6686 1 13 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.029 0.027 25810 6687 1 13 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.593 0.173 25810 6688 1 13 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.095 0.108 25810 6689 1 13 . 1 1 39 39 LYS H H 39 8.044 8.044 8.101 -0.057 25810 6690 1 13 . 1 1 40 40 GLU N N 40 119.970 119.970 119.050 0.920 25810 6691 1 13 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.040 0.134 25810 6692 1 13 . 1 1 40 40 GLU CA C 40 61.272 61.272 58.852 2.420 25810 6693 1 13 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.023 1.169 25810 6694 1 13 . 1 1 40 40 GLU H H 40 7.714 7.714 8.168 -0.454 25810 6695 1 13 . 1 1 41 41 LEU N N 41 119.088 119.088 121.411 -2.323 25810 6696 1 13 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.105 0.144 25810 6697 1 13 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.452 0.419 25810 6698 1 13 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.909 0.327 25810 6699 1 13 . 1 1 41 41 LEU H H 41 8.375 8.375 8.750 -0.375 25810 6700 1 13 . 1 1 42 42 GLY N N 42 106.311 106.311 106.467 -0.156 25810 6701 1 13 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.154 1.077 25810 6702 1 13 . 1 1 42 42 GLY H H 42 8.581 8.581 8.011 0.570 25810 6703 1 13 . 1 1 43 43 LYS N N 43 120.717 120.717 121.590 -0.873 25810 6704 1 13 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.989 -0.018 25810 6705 1 13 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.469 0.571 25810 6706 1 13 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.083 0.310 25810 6707 1 13 . 1 1 43 43 LYS H H 43 7.293 7.293 7.636 -0.343 25810 6708 1 13 . 1 1 44 44 VAL N N 44 119.884 119.884 119.655 0.229 25810 6709 1 13 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.832 -0.191 25810 6710 1 13 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.682 -0.238 25810 6711 1 13 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.507 0.549 25810 6712 1 13 . 1 1 44 44 VAL H H 44 7.560 7.560 7.369 0.191 25810 6713 1 13 . 1 1 45 45 MET N N 45 117.256 117.256 118.766 -1.510 25810 6714 1 13 . 1 1 45 45 MET HA H 45 4.179 4.179 4.124 0.055 25810 6715 1 13 . 1 1 45 45 MET CA C 45 57.934 57.934 58.233 -0.299 25810 6716 1 13 . 1 1 45 45 MET CB C 45 31.407 31.407 31.633 -0.226 25810 6717 1 13 . 1 1 45 45 MET H H 45 8.575 8.575 7.950 0.625 25810 6718 1 13 . 1 1 46 46 ARG N N 46 118.652 118.652 119.539 -0.887 25810 6719 1 13 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.022 0.572 25810 6720 1 13 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.385 0.038 25810 6721 1 13 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.184 -0.324 25810 6722 1 13 . 1 1 46 46 ARG H H 46 8.080 8.080 8.089 -0.009 25810 6723 1 13 . 1 1 47 47 MET N N 47 122.632 122.632 118.098 4.534 25810 6724 1 13 . 1 1 47 47 MET HA H 47 4.179 4.179 4.167 0.012 25810 6725 1 13 . 1 1 47 47 MET CA C 47 59.178 59.178 58.693 0.485 25810 6726 1 13 . 1 1 47 47 MET CB C 47 32.669 32.669 32.730 -0.061 25810 6727 1 13 . 1 1 47 47 MET H H 47 7.864 7.864 7.840 0.024 25810 6728 1 13 . 1 1 48 48 LEU N N 48 117.884 117.884 116.142 1.742 25810 6729 1 13 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.170 0.192 25810 6730 1 13 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.301 -0.763 25810 6731 1 13 . 1 1 48 48 LEU CB C 48 41.818 41.818 41.885 -0.067 25810 6732 1 13 . 1 1 48 48 LEU H H 48 7.485 7.485 8.020 -0.535 25810 6733 1 13 . 1 1 49 49 GLY N N 49 107.912 107.912 104.965 2.947 25810 6734 1 13 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.945 1.018 25810 6735 1 13 . 1 1 49 49 GLY H H 49 7.884 7.884 7.516 0.368 25810 6736 1 13 . 1 1 50 50 GLN N N 50 117.606 117.606 119.830 -2.224 25810 6737 1 13 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.413 0.088 25810 6738 1 13 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.873 -1.481 25810 6739 1 13 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.363 0.411 25810 6740 1 13 . 1 1 50 50 GLN H H 50 8.096 8.096 8.059 0.037 25810 6741 1 13 . 1 1 51 51 ASN N N 51 116.663 116.663 119.481 -2.818 25810 6742 1 13 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.032 0.090 25810 6743 1 13 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.094 1.136 25810 6744 1 13 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.894 0.252 25810 6745 1 13 . 1 1 51 51 ASN H H 51 8.693 8.693 8.561 0.132 25810 6746 1 13 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.659 0.030 25810 6747 1 13 . 1 1 53 53 THR N N 53 113.865 113.865 113.546 0.319 25810 6748 1 13 . 1 1 53 53 THR H H 53 8.985 8.985 8.318 0.667 25810 6749 1 13 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.179 0.007 25810 6750 1 13 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.872 0.390 25810 6751 1 13 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.770 0.120 25810 6752 1 13 . 1 1 55 55 GLU N N 55 117.475 117.475 117.092 0.383 25810 6753 1 13 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.041 0.003 25810 6754 1 13 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.875 0.740 25810 6755 1 13 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.186 -0.451 25810 6756 1 13 . 1 1 55 55 GLU H H 55 8.785 8.785 8.913 -0.128 25810 6757 1 13 . 1 1 56 56 GLU N N 56 121.699 121.699 119.963 1.736 25810 6758 1 13 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.081 -0.057 25810 6759 1 13 . 1 1 56 56 GLU CA C 56 59.255 59.255 59.080 0.175 25810 6760 1 13 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.640 0.456 25810 6761 1 13 . 1 1 56 56 GLU H H 56 7.815 7.815 7.588 0.227 25810 6762 1 13 . 1 1 57 57 LEU N N 57 118.421 118.421 120.070 -1.649 25810 6763 1 13 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.951 0.062 25810 6764 1 13 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.987 -1.425 25810 6765 1 13 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.659 1.073 25810 6766 1 13 . 1 1 57 57 LEU H H 57 8.246 8.246 7.963 0.283 25810 6767 1 13 . 1 1 58 58 GLN N N 58 118.349 118.349 119.509 -1.160 25810 6768 1 13 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.873 -0.176 25810 6769 1 13 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.450 -1.113 25810 6770 1 13 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.655 -0.087 25810 6771 1 13 . 1 1 58 58 GLN H H 58 8.003 8.003 8.213 -0.210 25810 6772 1 13 . 1 1 59 59 GLU N N 59 119.049 119.049 119.316 -0.267 25810 6773 1 13 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.223 -0.126 25810 6774 1 13 . 1 1 59 59 GLU CA C 59 59.641 59.641 58.815 0.826 25810 6775 1 13 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.539 0.082 25810 6776 1 13 . 1 1 59 59 GLU H H 59 7.979 7.979 7.773 0.206 25810 6777 1 13 . 1 1 60 60 MET N N 60 117.492 117.492 120.309 -2.817 25810 6778 1 13 . 1 1 60 60 MET HA H 60 4.083 4.083 4.154 -0.071 25810 6779 1 13 . 1 1 60 60 MET CA C 60 59.764 59.764 58.531 1.234 25810 6780 1 13 . 1 1 60 60 MET CB C 60 34.533 34.533 32.409 2.124 25810 6781 1 13 . 1 1 60 60 MET H H 60 7.776 7.776 7.981 -0.205 25810 6782 1 13 . 1 1 61 61 ILE N N 61 118.035 118.035 119.826 -1.791 25810 6783 1 13 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.611 0.106 25810 6784 1 13 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.528 -2.415 25810 6785 1 13 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.343 -1.053 25810 6786 1 13 . 1 1 61 61 ILE H H 61 7.564 7.564 8.174 -0.610 25810 6787 1 13 . 1 1 62 62 ASP N N 62 119.355 119.355 120.645 -1.290 25810 6788 1 13 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.379 -0.032 25810 6789 1 13 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.275 0.401 25810 6790 1 13 . 1 1 62 62 ASP CB C 62 40.352 40.352 39.998 0.354 25810 6791 1 13 . 1 1 62 62 ASP H H 62 8.801 8.801 7.965 0.836 25810 6792 1 13 . 1 1 63 63 GLU N N 63 116.439 116.439 118.531 -2.092 25810 6793 1 13 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.169 -0.106 25810 6794 1 13 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.318 0.503 25810 6795 1 13 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.673 0.451 25810 6796 1 13 . 1 1 63 63 GLU H H 63 7.702 7.702 7.865 -0.163 25810 6797 1 13 . 1 1 64 64 VAL N N 64 112.796 112.796 117.659 -4.863 25810 6798 1 13 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.823 0.371 25810 6799 1 13 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.349 -3.738 25810 6800 1 13 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.976 0.688 25810 6801 1 13 . 1 1 64 64 VAL H H 64 7.151 7.151 7.782 -0.631 25810 6802 1 13 . 1 1 65 65 ASP N N 65 121.138 121.138 119.276 1.862 25810 6803 1 13 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.743 -0.233 25810 6804 1 13 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.442 -1.877 25810 6805 1 13 . 1 1 65 65 ASP CB C 65 41.017 41.017 40.909 0.108 25810 6806 1 13 . 1 1 65 65 ASP H H 65 7.866 7.866 8.188 -0.322 25810 6807 1 13 . 1 1 66 66 GLU N N 66 128.324 128.324 123.047 5.277 25810 6808 1 13 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.164 0.030 25810 6809 1 13 . 1 1 66 66 GLU CA C 66 58.452 58.452 59.352 -0.900 25810 6810 1 13 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.076 1.037 25810 6811 1 13 . 1 1 66 66 GLU H H 66 8.187 8.187 9.238 -1.051 25810 6812 1 13 . 1 1 67 67 ASP N N 67 114.662 114.662 116.534 -1.872 25810 6813 1 13 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.691 -0.001 25810 6814 1 13 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.266 -0.506 25810 6815 1 13 . 1 1 67 67 ASP CB C 67 40.354 40.354 41.495 -1.141 25810 6816 1 13 . 1 1 67 67 ASP H H 67 8.111 8.111 7.794 0.317 25810 6817 1 13 . 1 1 68 68 GLY N N 68 109.084 109.084 107.840 1.244 25810 6818 1 13 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.695 1.441 25810 6819 1 13 . 1 1 68 68 GLY H H 68 7.771 7.771 7.809 -0.038 25810 6820 1 13 . 1 1 69 69 SER N N 69 117.283 117.283 116.595 0.688 25810 6821 1 13 . 1 1 69 69 SER HA H 69 4.217 4.217 4.197 0.020 25810 6822 1 13 . 1 1 69 69 SER CA C 69 60.270 60.270 59.293 0.977 25810 6823 1 13 . 1 1 69 69 SER CB C 69 64.648 64.648 64.034 0.614 25810 6824 1 13 . 1 1 69 69 SER H H 69 8.632 8.632 8.639 -0.007 25810 6825 1 13 . 1 1 70 70 GLY N N 70 116.242 116.242 111.445 4.797 25810 6826 1 13 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.094 0.394 25810 6827 1 13 . 1 1 70 70 GLY H H 70 10.710 10.710 8.863 1.847 25810 6828 1 13 . 1 1 71 71 THR N N 71 106.843 106.843 110.690 -3.847 25810 6829 1 13 . 1 1 71 71 THR HA H 71 4.941 4.941 4.882 0.059 25810 6830 1 13 . 1 1 71 71 THR CA C 71 58.422 58.422 59.466 -1.044 25810 6831 1 13 . 1 1 71 71 THR CB C 71 73.822 73.822 72.578 1.244 25810 6832 1 13 . 1 1 71 71 THR H H 71 7.551 7.551 7.470 0.081 25810 6833 1 13 . 1 1 72 72 VAL N N 72 127.231 127.231 122.737 4.494 25810 6834 1 13 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.653 0.421 25810 6835 1 13 . 1 1 72 72 VAL CA C 72 61.797 61.797 60.378 1.419 25810 6836 1 13 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.841 1.084 25810 6837 1 13 . 1 1 72 72 VAL H H 72 9.690 9.690 8.186 1.504 25810 6838 1 13 . 1 1 73 73 ASP N N 73 129.232 129.232 128.602 0.630 25810 6839 1 13 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.841 0.251 25810 6840 1 13 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.661 -1.280 25810 6841 1 13 . 1 1 73 73 ASP CB C 73 42.040 42.040 41.890 0.150 25810 6842 1 13 . 1 1 73 73 ASP H H 73 8.828 8.828 8.677 0.151 25810 6843 1 13 . 1 1 74 74 PHE N N 74 118.313 118.313 120.350 -2.037 25810 6844 1 13 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.923 -0.642 25810 6845 1 13 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.130 -0.761 25810 6846 1 13 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.747 -0.157 25810 6847 1 13 . 1 1 74 74 PHE H H 74 8.496 8.496 8.687 -0.191 25810 6848 1 13 . 1 1 75 75 ASP N N 75 117.592 117.592 118.658 -1.066 25810 6849 1 13 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.504 -0.580 25810 6850 1 13 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.873 -0.016 25810 6851 1 13 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.920 0.064 25810 6852 1 13 . 1 1 75 75 ASP H H 75 7.708 7.708 8.778 -1.070 25810 6853 1 13 . 1 1 76 76 GLU N N 76 120.100 120.100 119.992 0.108 25810 6854 1 13 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.090 -0.171 25810 6855 1 13 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.369 -0.959 25810 6856 1 13 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.378 0.849 25810 6857 1 13 . 1 1 76 76 GLU H H 76 8.267 8.267 8.595 -0.328 25810 6858 1 13 . 1 1 77 77 PHE N N 77 122.101 122.101 121.824 0.277 25810 6859 1 13 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.200 -0.509 25810 6860 1 13 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.746 -0.830 25810 6861 1 13 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.292 0.778 25810 6862 1 13 . 1 1 77 77 PHE H H 77 8.760 8.760 8.756 0.004 25810 6863 1 13 . 1 1 78 78 LEU N N 78 120.110 120.110 119.017 1.093 25810 6864 1 13 . 1 1 78 78 LEU HA H 78 3.227 3.227 4.052 -0.825 25810 6865 1 13 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.210 -0.095 25810 6866 1 13 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.007 0.603 25810 6867 1 13 . 1 1 78 78 LEU H H 78 8.404 8.404 8.281 0.123 25810 6868 1 13 . 1 1 79 79 VAL N N 79 116.259 116.259 120.013 -3.754 25810 6869 1 13 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.615 -0.408 25810 6870 1 13 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.792 -0.163 25810 6871 1 13 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.260 0.177 25810 6872 1 13 . 1 1 79 79 VAL H H 79 7.132 7.132 7.661 -0.529 25810 6873 1 13 . 1 1 80 80 MET N N 80 118.429 118.429 118.111 0.318 25810 6874 1 13 . 1 1 80 80 MET HA H 80 3.810 3.810 3.984 -0.174 25810 6875 1 13 . 1 1 80 80 MET CA C 80 57.828 57.828 57.949 -0.121 25810 6876 1 13 . 1 1 80 80 MET CB C 80 31.114 31.114 31.859 -0.745 25810 6877 1 13 . 1 1 80 80 MET H H 80 7.191 7.191 8.039 -0.848 25810 6878 1 13 . 1 1 81 81 MET H H 81 8.104 8.104 7.532 0.572 25810 6879 1 13 . 1 1 86 86 LYS N N 86 118.058 118.058 121.765 -3.707 25810 6880 1 13 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.937 0.363 25810 6881 1 13 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.819 -2.421 25810 6882 1 13 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.642 0.204 25810 6883 1 13 . 1 1 86 86 LYS H H 86 7.750 7.750 7.937 -0.187 25810 6884 1 13 . 1 1 87 87 ASP N N 87 120.199 120.199 119.467 0.732 25810 6885 1 13 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.315 0.343 25810 6886 1 13 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.883 -2.766 25810 6887 1 13 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.557 0.819 25810 6888 1 13 . 1 1 87 87 ASP H H 87 8.102 8.102 8.476 -0.374 25810 6889 1 13 . 1 1 88 88 ASP N N 88 121.497 121.497 118.231 3.266 25810 6890 1 13 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.390 0.300 25810 6891 1 13 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.023 -2.357 25810 6892 1 13 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.389 0.768 25810 6893 1 13 . 1 1 88 88 ASP H H 88 8.363 8.363 8.599 -0.236 25810 6894 1 13 . 1 1 89 89 SER N N 89 115.602 115.602 113.833 1.769 25810 6895 1 13 . 1 1 89 89 SER HA H 89 4.347 4.347 4.236 0.111 25810 6896 1 13 . 1 1 89 89 SER CA C 89 59.571 59.571 61.163 -1.592 25810 6897 1 13 . 1 1 89 89 SER CB C 89 63.999 63.999 63.601 0.398 25810 6898 1 13 . 1 1 89 89 SER H H 89 8.251 8.251 7.918 0.333 25810 6899 1 13 . 1 1 90 90 GLU N N 90 121.265 121.265 118.792 2.473 25810 6900 1 13 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.202 0.028 25810 6901 1 13 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.528 -0.476 25810 6902 1 13 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.107 -0.297 25810 6903 1 13 . 1 1 90 90 GLU H H 90 8.331 8.331 8.144 0.187 25810 6904 1 13 . 1 1 91 91 ASN N N 91 118.544 118.544 118.576 -0.032 25810 6905 1 13 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.649 0.006 25810 6906 1 13 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.543 -0.082 25810 6907 1 13 . 1 1 91 91 ASN CB C 91 39.208 39.208 38.433 0.775 25810 6908 1 13 . 1 1 91 91 ASN H H 91 8.131 8.131 8.098 0.033 25810 6909 1 13 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.435 -0.442 25810 6910 1 13 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.480 0.931 25810 6911 1 13 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.114 0.168 25810 6912 1 13 . 1 1 96 96 GLY N N 96 109.372 109.372 111.542 -2.170 25810 6913 1 13 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.667 0.021 25810 6914 1 13 . 1 1 96 96 GLY H H 96 8.110 8.110 8.732 -0.622 25810 6915 1 13 . 1 1 97 97 ARG N N 97 120.154 120.154 120.193 -0.039 25810 6916 1 13 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.379 0.088 25810 6917 1 13 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.792 -1.226 25810 6918 1 13 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.716 0.789 25810 6919 1 13 . 1 1 97 97 ARG H H 97 7.966 7.966 8.070 -0.104 25810 6920 1 13 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.277 -0.135 25810 6921 1 13 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.221 -0.182 25810 6922 1 13 . 1 1 99 99 VAL CB C 99 30.875 30.875 30.717 0.158 25810 6923 1 13 . 1 1 100 100 ARG N N 100 125.661 125.661 124.927 0.734 25810 6924 1 13 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.277 0.224 25810 6925 1 13 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.226 -1.669 25810 6926 1 13 . 1 1 100 100 ARG H H 100 8.379 8.379 7.999 0.380 25810 6927 1 13 . 1 1 102 102 SER HA H 102 4.356 4.356 4.469 -0.113 25810 6928 1 13 . 1 1 102 102 SER CA C 102 57.361 57.361 57.338 0.023 25810 6929 1 13 . 1 1 102 102 SER CB C 102 65.237 65.237 64.714 0.523 25810 6930 1 13 . 1 1 103 103 ALA N N 103 125.468 125.468 124.596 0.872 25810 6931 1 13 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.053 -0.042 25810 6932 1 13 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.113 0.872 25810 6933 1 13 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.195 0.398 25810 6934 1 13 . 1 1 103 103 ALA H H 103 9.148 9.148 8.776 0.372 25810 6935 1 13 . 1 1 104 104 ASP N N 104 115.217 115.217 118.886 -3.669 25810 6936 1 13 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.473 -0.165 25810 6937 1 13 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.681 0.626 25810 6938 1 13 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.430 0.548 25810 6939 1 13 . 1 1 104 104 ASP H H 104 8.517 8.517 8.426 0.091 25810 6940 1 13 . 1 1 105 105 ALA N N 105 122.884 122.884 123.059 -0.175 25810 6941 1 13 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.274 -0.194 25810 6942 1 13 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.908 0.196 25810 6943 1 13 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.525 -0.188 25810 6944 1 13 . 1 1 105 105 ALA H H 105 7.953 7.953 7.896 0.057 25810 6945 1 13 . 1 1 106 106 MET N N 106 118.710 118.710 118.628 0.082 25810 6946 1 13 . 1 1 106 106 MET HA H 106 3.987 3.987 4.091 -0.104 25810 6947 1 13 . 1 1 106 106 MET CA C 106 59.704 59.704 59.124 0.580 25810 6948 1 13 . 1 1 106 106 MET CB C 106 33.450 33.450 32.827 0.623 25810 6949 1 13 . 1 1 106 106 MET H H 106 8.186 8.186 8.152 0.034 25810 6950 1 13 . 1 1 107 107 MET N N 107 116.864 116.864 118.543 -1.679 25810 6951 1 13 . 1 1 107 107 MET HA H 107 4.446 4.446 4.181 0.265 25810 6952 1 13 . 1 1 107 107 MET CA C 107 57.649 57.649 58.411 -0.762 25810 6953 1 13 . 1 1 107 107 MET CB C 107 31.359 31.359 31.914 -0.555 25810 6954 1 13 . 1 1 107 107 MET H H 107 8.483 8.483 7.995 0.488 25810 6955 1 13 . 1 1 108 108 GLN N N 108 117.959 117.959 119.092 -1.133 25810 6956 1 13 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.977 0.032 25810 6957 1 13 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.235 -0.249 25810 6958 1 13 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.574 -0.054 25810 6959 1 13 . 1 1 108 108 GLN H H 108 8.359 8.359 8.458 -0.099 25810 6960 1 13 . 1 1 109 109 ALA N N 109 121.657 121.657 122.903 -1.246 25810 6961 1 13 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.111 0.028 25810 6962 1 13 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.944 -0.179 25810 6963 1 13 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.437 0.002 25810 6964 1 13 . 1 1 109 109 ALA H H 109 7.855 7.855 8.057 -0.202 25810 6965 1 13 . 1 1 110 110 LEU N N 110 116.183 116.183 118.152 -1.969 25810 6966 1 13 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.035 0.090 25810 6967 1 13 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.210 0.222 25810 6968 1 13 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.253 0.379 25810 6969 1 13 . 1 1 110 110 LEU H H 110 7.933 7.933 7.711 0.222 25810 6970 1 13 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.908 -0.298 25810 6971 1 13 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.379 0.513 25810 6972 1 13 . 1 1 112 112 GLY N N 112 109.198 109.198 107.529 1.669 25810 6973 1 13 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.191 0.877 25810 6974 1 13 . 1 1 112 112 GLY H H 112 7.928 7.928 8.187 -0.259 25810 6975 1 13 . 1 1 113 113 ALA N N 113 124.374 124.374 122.397 1.977 25810 6976 1 13 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.071 0.192 25810 6977 1 13 . 1 1 113 113 ALA CA C 113 53.404 53.404 53.081 0.323 25810 6978 1 13 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.483 0.230 25810 6979 1 13 . 1 1 113 113 ALA H H 113 8.211 8.211 8.401 -0.190 25810 6980 1 13 . 1 1 114 114 ARG N N 114 117.947 117.947 120.358 -2.411 25810 6981 1 13 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.379 -0.132 25810 6982 1 13 . 1 1 114 114 ARG CA C 114 56.568 56.568 55.721 0.847 25810 6983 1 13 . 1 1 114 114 ARG CB C 114 30.389 30.389 31.250 -0.862 25810 6984 1 13 . 1 1 114 114 ARG H H 114 7.974 7.974 8.533 -0.559 25810 6985 1 13 . 1 1 115 115 ALA N N 115 123.079 123.079 125.892 -2.813 25810 6986 1 13 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.378 -0.162 25810 6987 1 13 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.636 1.147 25810 6988 1 13 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.621 -0.706 25810 6989 1 13 . 1 1 115 115 ALA H H 115 7.969 7.969 8.253 -0.284 25810 6990 1 13 . 1 1 116 116 LYS N N 116 120.562 120.562 120.352 0.210 25810 6991 1 13 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.254 -0.015 25810 6992 1 13 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.542 0.879 25810 6993 1 13 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.862 0.511 25810 6994 1 13 . 1 1 116 116 LYS H H 116 8.310 8.310 8.146 0.164 25810 6995 1 13 . 1 1 117 117 GLU N N 117 121.115 121.115 123.905 -2.790 25810 6996 1 13 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.045 0.214 25810 6997 1 13 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.633 -1.286 25810 6998 1 13 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.579 0.458 25810 6999 1 13 . 1 1 117 117 GLU H H 117 8.646 8.646 8.949 -0.303 25810 7000 1 13 . 1 1 118 118 SER N N 118 115.616 115.616 115.663 -0.047 25810 7001 1 13 . 1 1 118 118 SER HA H 118 4.322 4.322 4.245 0.077 25810 7002 1 13 . 1 1 118 118 SER CA C 118 59.082 59.082 61.590 -2.508 25810 7003 1 13 . 1 1 118 118 SER CB C 118 63.624 63.624 62.845 0.779 25810 7004 1 13 . 1 1 118 118 SER H H 118 8.346 8.346 8.392 -0.046 25810 7005 1 13 . 1 1 119 119 LEU N N 119 122.984 122.984 119.326 3.658 25810 7006 1 13 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.326 -0.018 25810 7007 1 13 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.040 -0.537 25810 7008 1 13 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.047 0.214 25810 7009 1 13 . 1 1 119 119 LEU H H 119 7.970 7.970 7.614 0.356 25810 7010 1 13 . 1 1 120 120 ASP N N 120 120.516 120.516 118.991 1.525 25810 7011 1 13 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.827 -0.217 25810 7012 1 13 . 1 1 120 120 ASP CA C 120 54.452 54.452 53.621 0.831 25810 7013 1 13 . 1 1 120 120 ASP CB C 120 41.020 41.020 42.197 -1.177 25810 7014 1 13 . 1 1 120 120 ASP H H 120 8.149 8.149 7.705 0.444 25810 7015 1 13 . 1 1 121 121 LEU N N 121 122.598 122.598 119.822 2.776 25810 7016 1 13 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.678 -0.403 25810 7017 1 13 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.691 1.330 25810 7018 1 13 . 1 1 121 121 LEU CB C 121 42.054 42.054 44.608 -2.554 25810 7019 1 13 . 1 1 121 121 LEU H H 121 8.111 8.111 7.264 0.847 25810 7020 1 13 . 1 1 122 122 ARG N N 122 119.425 119.425 121.598 -2.173 25810 7021 1 13 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.554 -0.307 25810 7022 1 13 . 1 1 122 122 ARG CA C 122 56.615 56.615 55.100 1.515 25810 7023 1 13 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.652 -0.216 25810 7024 1 13 . 1 1 122 122 ARG H H 122 8.131 8.131 8.696 -0.565 25810 7025 1 13 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.549 0.595 25810 7026 1 13 . 1 1 123 123 ALA CB C 123 19.123 19.123 18.850 0.273 25810 7027 1 13 . 1 1 124 124 HIS N N 124 117.075 117.075 123.982 -6.907 25810 7028 1 13 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.924 0.173 25810 7029 1 13 . 1 1 124 124 HIS CB C 124 30.425 30.425 29.889 0.536 25810 7030 1 13 . 1 1 124 124 HIS H H 124 8.185 8.185 8.559 -0.374 25810 7031 1 13 . 1 1 125 125 LEU HA H 125 4.354 4.354 3.812 0.542 25810 7032 1 13 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.810 -0.553 25810 7033 1 13 . 1 1 125 125 LEU CB C 125 42.301 42.301 41.900 0.401 25810 7034 1 14 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 29.088 1.489 25810 7035 1 14 . 1 1 -7 -7 GLY N N -7 108.818 108.818 109.768 -0.950 25810 7036 1 14 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.481 -0.297 25810 7037 1 14 . 1 1 -7 -7 GLY H H -7 8.330 8.330 9.076 -0.746 25810 7038 1 14 . 1 1 0 0 ASP N N 0 115.716 115.716 116.181 -0.465 25810 7039 1 14 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.545 -0.057 25810 7040 1 14 . 1 1 0 0 ASP CA C 0 58.683 58.683 59.516 -0.833 25810 7041 1 14 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.675 0.321 25810 7042 1 14 . 1 1 0 0 ASP H H 0 8.155 8.155 8.417 -0.262 25810 7043 1 14 . 1 1 1 1 MET N N 1 121.815 121.815 122.029 -0.214 25810 7044 1 14 . 1 1 1 1 MET HA H 1 4.450 4.450 4.485 -0.035 25810 7045 1 14 . 1 1 1 1 MET CA C 1 55.996 55.996 54.753 1.243 25810 7046 1 14 . 1 1 1 1 MET CB C 1 32.334 32.334 31.000 1.334 25810 7047 1 14 . 1 1 1 1 MET H H 1 8.553 8.553 8.372 0.181 25810 7048 1 14 . 1 1 2 2 ASP N N 2 119.828 119.828 122.043 -2.215 25810 7049 1 14 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.432 0.049 25810 7050 1 14 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.593 -1.470 25810 7051 1 14 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.175 0.937 25810 7052 1 14 . 1 1 3 3 ASP N N 3 119.912 119.912 120.058 -0.146 25810 7053 1 14 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.338 0.139 25810 7054 1 14 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.535 -0.315 25810 7055 1 14 . 1 1 3 3 ASP CB C 3 40.942 40.942 39.590 1.352 25810 7056 1 14 . 1 1 3 3 ASP H H 3 8.098 8.098 8.726 -0.628 25810 7057 1 14 . 1 1 4 4 ILE N N 4 120.617 120.617 121.401 -0.784 25810 7058 1 14 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.561 0.286 25810 7059 1 14 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.447 -0.610 25810 7060 1 14 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.756 0.032 25810 7061 1 14 . 1 1 4 4 ILE H H 4 7.897 7.897 7.241 0.656 25810 7062 1 14 . 1 1 5 5 TYR N N 5 121.116 121.116 118.117 2.999 25810 7063 1 14 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.072 0.236 25810 7064 1 14 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.192 -0.941 25810 7065 1 14 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.543 0.046 25810 7066 1 14 . 1 1 5 5 TYR H H 5 7.961 7.961 7.583 0.378 25810 7067 1 14 . 1 1 6 6 LYS N N 6 120.005 120.005 119.323 0.682 25810 7068 1 14 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.953 -0.030 25810 7069 1 14 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.249 0.295 25810 7070 1 14 . 1 1 6 6 LYS CB C 6 32.355 32.355 31.958 0.397 25810 7071 1 14 . 1 1 6 6 LYS H H 6 8.008 8.008 8.622 -0.614 25810 7072 1 14 . 1 1 7 7 ALA N N 7 120.589 120.589 121.682 -1.093 25810 7073 1 14 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.126 0.028 25810 7074 1 14 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.938 -0.421 25810 7075 1 14 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.305 -0.219 25810 7076 1 14 . 1 1 7 7 ALA H H 7 7.816 7.816 7.923 -0.107 25810 7077 1 14 . 1 1 8 8 ALA N N 8 120.065 120.065 121.320 -1.255 25810 7078 1 14 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.943 0.211 25810 7079 1 14 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.026 -0.328 25810 7080 1 14 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.417 0.066 25810 7081 1 14 . 1 1 8 8 ALA H H 8 7.622 7.622 7.547 0.075 25810 7082 1 14 . 1 1 9 9 VAL N N 9 118.101 118.101 119.096 -0.995 25810 7083 1 14 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.818 -0.259 25810 7084 1 14 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.786 -0.752 25810 7085 1 14 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.841 -0.159 25810 7086 1 14 . 1 1 9 9 VAL H H 9 7.974 7.974 8.035 -0.061 25810 7087 1 14 . 1 1 10 10 GLU N N 10 118.217 118.217 119.135 -0.918 25810 7088 1 14 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.031 0.096 25810 7089 1 14 . 1 1 10 10 GLU CA C 10 58.269 58.269 59.050 -0.781 25810 7090 1 14 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.709 -0.145 25810 7091 1 14 . 1 1 10 10 GLU H H 10 7.682 7.682 7.819 -0.137 25810 7092 1 14 . 1 1 11 11 GLN N N 11 114.903 114.903 116.156 -1.253 25810 7093 1 14 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.209 0.114 25810 7094 1 14 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.501 -1.849 25810 7095 1 14 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.037 -0.590 25810 7096 1 14 . 1 1 11 11 GLN H H 11 7.404 7.404 7.706 -0.302 25810 7097 1 14 . 1 1 12 12 LEU N N 12 120.467 120.467 119.143 1.324 25810 7098 1 14 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.941 -0.359 25810 7099 1 14 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.678 1.319 25810 7100 1 14 . 1 1 12 12 LEU CB C 12 43.566 43.566 44.819 -1.253 25810 7101 1 14 . 1 1 12 12 LEU H H 12 7.354 7.354 8.042 -0.688 25810 7102 1 14 . 1 1 13 13 THR N N 13 113.431 113.431 112.689 0.742 25810 7103 1 14 . 1 1 13 13 THR HA H 13 4.462 4.462 4.722 -0.260 25810 7104 1 14 . 1 1 13 13 THR CA C 13 60.759 60.759 59.325 1.434 25810 7105 1 14 . 1 1 13 13 THR CB C 13 71.101 71.101 71.127 -0.026 25810 7106 1 14 . 1 1 13 13 THR H H 13 8.844 8.844 8.274 0.570 25810 7107 1 14 . 1 1 14 14 GLU N N 14 121.790 121.790 121.646 0.144 25810 7108 1 14 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.034 -0.071 25810 7109 1 14 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.590 -0.716 25810 7110 1 14 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.219 0.099 25810 7111 1 14 . 1 1 14 14 GLU H H 14 9.013 9.013 8.908 0.105 25810 7112 1 14 . 1 1 15 15 GLU N N 15 117.495 117.495 118.734 -1.239 25810 7113 1 14 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.075 -0.015 25810 7114 1 14 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.455 0.877 25810 7115 1 14 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.128 0.048 25810 7116 1 14 . 1 1 15 15 GLU H H 15 8.653 8.653 8.646 0.007 25810 7117 1 14 . 1 1 16 16 GLN N N 16 119.205 119.205 119.867 -0.662 25810 7118 1 14 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.112 -0.255 25810 7119 1 14 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.773 0.175 25810 7120 1 14 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.728 1.003 25810 7121 1 14 . 1 1 16 16 GLN H H 16 7.839 7.839 7.615 0.224 25810 7122 1 14 . 1 1 17 17 LYS N N 17 119.027 119.027 120.111 -1.084 25810 7123 1 14 . 1 1 17 17 LYS HA H 17 4.024 4.024 3.952 0.072 25810 7124 1 14 . 1 1 17 17 LYS CA C 17 61.688 61.688 60.330 1.358 25810 7125 1 14 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.197 -0.141 25810 7126 1 14 . 1 1 17 17 LYS H H 17 8.539 8.539 8.001 0.538 25810 7127 1 14 . 1 1 18 18 ASN N N 18 117.428 117.428 117.559 -0.131 25810 7128 1 14 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.508 0.054 25810 7129 1 14 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.051 0.122 25810 7130 1 14 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.331 -0.527 25810 7131 1 14 . 1 1 18 18 ASN H H 18 8.552 8.552 7.868 0.684 25810 7132 1 14 . 1 1 19 19 GLU N N 19 123.611 123.611 119.896 3.715 25810 7133 1 14 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.094 0.111 25810 7134 1 14 . 1 1 19 19 GLU CA C 19 59.798 59.798 58.945 0.853 25810 7135 1 14 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.791 -0.385 25810 7136 1 14 . 1 1 19 19 GLU H H 19 8.012 8.012 7.718 0.294 25810 7137 1 14 . 1 1 20 20 PHE N N 20 117.357 117.357 121.671 -4.314 25810 7138 1 14 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.301 0.553 25810 7139 1 14 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.489 0.244 25810 7140 1 14 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.264 -0.942 25810 7141 1 14 . 1 1 20 20 PHE H H 20 8.320 8.320 8.910 -0.590 25810 7142 1 14 . 1 1 21 21 LYS N N 21 122.064 122.064 120.396 1.668 25810 7143 1 14 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.990 0.035 25810 7144 1 14 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.875 -1.201 25810 7145 1 14 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.224 -0.540 25810 7146 1 14 . 1 1 21 21 LYS H H 21 8.864 8.864 8.111 0.753 25810 7147 1 14 . 1 1 22 22 ALA N N 22 121.827 121.827 120.988 0.839 25810 7148 1 14 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.101 0.112 25810 7149 1 14 . 1 1 22 22 ALA CB C 22 17.731 17.731 17.861 -0.130 25810 7150 1 14 . 1 1 22 22 ALA H H 22 8.009 8.009 7.772 0.237 25810 7151 1 14 . 1 1 23 23 ALA N N 23 119.945 119.945 121.120 -1.175 25810 7152 1 14 . 1 1 23 23 ALA HA H 23 4.129 4.129 3.934 0.195 25810 7153 1 14 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.646 0.693 25810 7154 1 14 . 1 1 23 23 ALA CB C 23 18.986 18.986 17.782 1.204 25810 7155 1 14 . 1 1 23 23 ALA H H 23 8.178 8.178 7.204 0.974 25810 7156 1 14 . 1 1 24 24 PHE N N 24 121.275 121.275 118.882 2.393 25810 7157 1 14 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.981 -0.443 25810 7158 1 14 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.308 1.105 25810 7159 1 14 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.429 0.312 25810 7160 1 14 . 1 1 24 24 PHE H H 24 8.925 8.925 8.072 0.853 25810 7161 1 14 . 1 1 25 25 ASP N N 25 117.407 117.407 120.928 -3.521 25810 7162 1 14 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.334 -0.070 25810 7163 1 14 . 1 1 25 25 ASP CA C 25 57.014 57.014 58.085 -1.071 25810 7164 1 14 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.846 -0.949 25810 7165 1 14 . 1 1 25 25 ASP H H 25 8.714 8.714 8.375 0.339 25810 7166 1 14 . 1 1 26 26 ILE N N 26 119.320 119.320 115.802 3.518 25810 7167 1 14 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.778 0.039 25810 7168 1 14 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.501 -1.087 25810 7169 1 14 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.657 -0.215 25810 7170 1 14 . 1 1 26 26 ILE H H 26 7.337 7.337 7.558 -0.221 25810 7171 1 14 . 1 1 27 27 PHE N N 27 123.734 123.734 119.042 4.692 25810 7172 1 14 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.874 -1.298 25810 7173 1 14 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.551 1.067 25810 7174 1 14 . 1 1 27 27 PHE H H 27 8.139 8.139 7.520 0.619 25810 7175 1 14 . 1 1 28 28 VAL N N 28 105.007 105.007 117.577 -12.570 25810 7176 1 14 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.809 0.274 25810 7177 1 14 . 1 1 28 28 VAL CA C 28 61.156 61.156 62.392 -1.236 25810 7178 1 14 . 1 1 28 28 VAL CB C 28 31.392 31.392 32.098 -0.706 25810 7179 1 14 . 1 1 28 28 VAL H H 28 7.505 7.505 8.102 -0.597 25810 7180 1 14 . 1 1 29 29 LEU N N 29 126.175 126.175 121.905 4.270 25810 7181 1 14 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.072 0.022 25810 7182 1 14 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.705 0.791 25810 7183 1 14 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.836 -0.261 25810 7184 1 14 . 1 1 29 29 LEU H H 29 7.274 7.274 7.262 0.012 25810 7185 1 14 . 1 1 30 30 GLY N N 30 113.173 113.173 112.676 0.497 25810 7186 1 14 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.378 0.162 25810 7187 1 14 . 1 1 30 30 GLY H H 30 8.950 8.950 8.577 0.373 25810 7188 1 14 . 1 1 31 31 ALA N N 31 124.109 124.109 124.462 -0.353 25810 7189 1 14 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.514 -0.057 25810 7190 1 14 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.721 1.506 25810 7191 1 14 . 1 1 31 31 ALA CB C 31 19.922 19.922 18.716 1.206 25810 7192 1 14 . 1 1 31 31 ALA H H 31 8.131 8.131 7.804 0.327 25810 7193 1 14 . 1 1 32 32 GLU N N 32 124.956 124.956 124.276 0.680 25810 7194 1 14 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.062 0.038 25810 7195 1 14 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.662 0.431 25810 7196 1 14 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.646 0.239 25810 7197 1 14 . 1 1 32 32 GLU H H 32 9.204 9.204 8.892 0.312 25810 7198 1 14 . 1 1 33 33 ASP N N 33 115.544 115.544 117.143 -1.599 25810 7199 1 14 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.508 0.257 25810 7200 1 14 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.662 -1.591 25810 7201 1 14 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.663 0.720 25810 7202 1 14 . 1 1 33 33 ASP H H 33 8.156 8.156 8.089 0.067 25810 7203 1 14 . 1 1 34 34 GLY N N 34 105.580 105.580 106.744 -1.164 25810 7204 1 14 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.345 1.394 25810 7205 1 14 . 1 1 34 34 GLY H H 34 7.582 7.582 7.757 -0.175 25810 7206 1 14 . 1 1 35 35 SER N N 35 113.292 113.292 114.838 -1.546 25810 7207 1 14 . 1 1 35 35 SER HA H 35 4.960 4.960 4.646 0.314 25810 7208 1 14 . 1 1 35 35 SER CA C 35 57.390 57.390 57.120 0.270 25810 7209 1 14 . 1 1 35 35 SER CB C 35 66.240 66.240 66.176 0.064 25810 7210 1 14 . 1 1 35 35 SER H H 35 7.584 7.584 7.541 0.043 25810 7211 1 14 . 1 1 36 36 ILE N N 36 119.513 119.513 119.855 -0.342 25810 7212 1 14 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.087 -0.324 25810 7213 1 14 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.429 0.859 25810 7214 1 14 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.729 1.876 25810 7215 1 14 . 1 1 36 36 ILE H H 36 9.028 9.028 8.489 0.539 25810 7216 1 14 . 1 1 37 37 SER N N 37 126.146 126.146 120.581 5.565 25810 7217 1 14 . 1 1 37 37 SER HA H 37 5.198 5.198 4.893 0.305 25810 7218 1 14 . 1 1 37 37 SER CA C 37 57.010 57.010 56.393 0.617 25810 7219 1 14 . 1 1 37 37 SER CB C 37 67.563 67.563 66.564 0.999 25810 7220 1 14 . 1 1 37 37 SER H H 37 9.571 9.571 7.701 1.870 25810 7221 1 14 . 1 1 38 38 THR N N 38 111.059 111.059 113.749 -2.690 25810 7222 1 14 . 1 1 38 38 THR HA H 38 4.514 4.514 4.015 0.499 25810 7223 1 14 . 1 1 38 38 THR CA C 38 66.653 66.653 65.869 0.784 25810 7224 1 14 . 1 1 38 38 THR CB C 38 68.362 68.362 68.728 -0.366 25810 7225 1 14 . 1 1 38 38 THR H H 38 8.794 8.794 8.682 0.112 25810 7226 1 14 . 1 1 39 39 LYS N N 39 123.369 123.369 121.757 1.612 25810 7227 1 14 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.994 0.062 25810 7228 1 14 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.398 0.368 25810 7229 1 14 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.252 -0.049 25810 7230 1 14 . 1 1 39 39 LYS H H 39 8.044 8.044 7.649 0.395 25810 7231 1 14 . 1 1 40 40 GLU N N 40 119.970 119.970 120.031 -0.061 25810 7232 1 14 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.085 0.089 25810 7233 1 14 . 1 1 40 40 GLU CA C 40 61.272 61.272 58.731 2.541 25810 7234 1 14 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.616 0.576 25810 7235 1 14 . 1 1 40 40 GLU H H 40 7.714 7.714 7.518 0.196 25810 7236 1 14 . 1 1 41 41 LEU N N 41 119.088 119.088 119.813 -0.725 25810 7237 1 14 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.109 0.140 25810 7238 1 14 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.392 0.479 25810 7239 1 14 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.569 0.667 25810 7240 1 14 . 1 1 41 41 LEU H H 41 8.375 8.375 8.641 -0.266 25810 7241 1 14 . 1 1 42 42 GLY N N 42 106.311 106.311 106.575 -0.264 25810 7242 1 14 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.173 1.058 25810 7243 1 14 . 1 1 42 42 GLY H H 42 8.581 8.581 8.402 0.179 25810 7244 1 14 . 1 1 43 43 LYS N N 43 120.717 120.717 121.574 -0.857 25810 7245 1 14 . 1 1 43 43 LYS HA H 43 3.971 3.971 3.987 -0.016 25810 7246 1 14 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.265 0.775 25810 7247 1 14 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.070 0.323 25810 7248 1 14 . 1 1 43 43 LYS H H 43 7.293 7.293 7.473 -0.180 25810 7249 1 14 . 1 1 44 44 VAL N N 44 119.884 119.884 119.741 0.143 25810 7250 1 14 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.724 -0.083 25810 7251 1 14 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.397 0.047 25810 7252 1 14 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.490 0.566 25810 7253 1 14 . 1 1 44 44 VAL H H 44 7.560 7.560 7.274 0.286 25810 7254 1 14 . 1 1 45 45 MET N N 45 117.256 117.256 118.360 -1.104 25810 7255 1 14 . 1 1 45 45 MET HA H 45 4.179 4.179 4.067 0.112 25810 7256 1 14 . 1 1 45 45 MET CA C 45 57.934 57.934 58.271 -0.337 25810 7257 1 14 . 1 1 45 45 MET CB C 45 31.407 31.407 31.765 -0.358 25810 7258 1 14 . 1 1 45 45 MET H H 45 8.575 8.575 7.773 0.802 25810 7259 1 14 . 1 1 46 46 ARG N N 46 118.652 118.652 119.112 -0.460 25810 7260 1 14 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.132 0.462 25810 7261 1 14 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.080 0.343 25810 7262 1 14 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.080 -0.220 25810 7263 1 14 . 1 1 46 46 ARG H H 46 8.080 8.080 7.915 0.165 25810 7264 1 14 . 1 1 47 47 MET N N 47 122.632 122.632 119.262 3.370 25810 7265 1 14 . 1 1 47 47 MET HA H 47 4.179 4.179 4.154 0.025 25810 7266 1 14 . 1 1 47 47 MET CA C 47 59.178 59.178 58.598 0.580 25810 7267 1 14 . 1 1 47 47 MET CB C 47 32.669 32.669 32.709 -0.040 25810 7268 1 14 . 1 1 47 47 MET H H 47 7.864 7.864 7.827 0.037 25810 7269 1 14 . 1 1 48 48 LEU N N 48 117.884 117.884 118.071 -0.187 25810 7270 1 14 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.300 0.062 25810 7271 1 14 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.787 -1.249 25810 7272 1 14 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.538 -0.720 25810 7273 1 14 . 1 1 48 48 LEU H H 48 7.485 7.485 7.777 -0.292 25810 7274 1 14 . 1 1 49 49 GLY N N 49 107.912 107.912 105.925 1.987 25810 7275 1 14 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.685 1.278 25810 7276 1 14 . 1 1 49 49 GLY H H 49 7.884 7.884 7.539 0.345 25810 7277 1 14 . 1 1 50 50 GLN N N 50 117.606 117.606 120.765 -3.159 25810 7278 1 14 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.419 0.082 25810 7279 1 14 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.797 -1.405 25810 7280 1 14 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.394 0.379 25810 7281 1 14 . 1 1 50 50 GLN H H 50 8.096 8.096 8.029 0.067 25810 7282 1 14 . 1 1 51 51 ASN N N 51 116.663 116.663 121.005 -4.342 25810 7283 1 14 . 1 1 51 51 ASN HA H 51 5.122 5.122 4.722 0.400 25810 7284 1 14 . 1 1 51 51 ASN CA C 51 51.230 51.230 51.373 -0.143 25810 7285 1 14 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.039 1.107 25810 7286 1 14 . 1 1 51 51 ASN H H 51 8.693 8.693 8.478 0.215 25810 7287 1 14 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.586 0.103 25810 7288 1 14 . 1 1 53 53 THR N N 53 113.865 113.865 112.666 1.199 25810 7289 1 14 . 1 1 53 53 THR H H 53 8.985 8.985 7.651 1.334 25810 7290 1 14 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.411 -0.225 25810 7291 1 14 . 1 1 54 54 PRO CA C 54 66.262 66.262 64.662 1.600 25810 7292 1 14 . 1 1 54 54 PRO CB C 54 31.890 31.890 32.066 -0.176 25810 7293 1 14 . 1 1 55 55 GLU N N 55 117.475 117.475 119.443 -1.968 25810 7294 1 14 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.044 -0.000 25810 7295 1 14 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.782 0.833 25810 7296 1 14 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.972 -0.237 25810 7297 1 14 . 1 1 55 55 GLU H H 55 8.785 8.785 8.784 0.001 25810 7298 1 14 . 1 1 56 56 GLU N N 56 121.699 121.699 120.582 1.117 25810 7299 1 14 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.160 -0.136 25810 7300 1 14 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.940 0.315 25810 7301 1 14 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.120 0.976 25810 7302 1 14 . 1 1 56 56 GLU H H 56 7.815 7.815 8.436 -0.621 25810 7303 1 14 . 1 1 57 57 LEU N N 57 118.421 118.421 120.793 -2.372 25810 7304 1 14 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.950 0.063 25810 7305 1 14 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.123 -1.562 25810 7306 1 14 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.806 0.926 25810 7307 1 14 . 1 1 57 57 LEU H H 57 8.246 8.246 8.270 -0.024 25810 7308 1 14 . 1 1 58 58 GLN N N 58 118.349 118.349 118.668 -0.319 25810 7309 1 14 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.946 -0.249 25810 7310 1 14 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.163 -0.826 25810 7311 1 14 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.600 -0.032 25810 7312 1 14 . 1 1 58 58 GLN H H 58 8.003 8.003 7.980 0.023 25810 7313 1 14 . 1 1 59 59 GLU N N 59 119.049 119.049 120.238 -1.189 25810 7314 1 14 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.113 -0.016 25810 7315 1 14 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.031 0.610 25810 7316 1 14 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.337 0.284 25810 7317 1 14 . 1 1 59 59 GLU H H 59 7.979 7.979 7.656 0.323 25810 7318 1 14 . 1 1 60 60 MET N N 60 117.492 117.492 120.237 -2.745 25810 7319 1 14 . 1 1 60 60 MET HA H 60 4.083 4.083 4.226 -0.143 25810 7320 1 14 . 1 1 60 60 MET CA C 60 59.764 59.764 58.187 1.577 25810 7321 1 14 . 1 1 60 60 MET CB C 60 34.533 34.533 32.534 1.999 25810 7322 1 14 . 1 1 60 60 MET H H 60 7.776 7.776 8.452 -0.676 25810 7323 1 14 . 1 1 61 61 ILE N N 61 118.035 118.035 119.673 -1.638 25810 7324 1 14 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.671 0.046 25810 7325 1 14 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.737 -1.624 25810 7326 1 14 . 1 1 61 61 ILE CB C 61 36.290 36.290 38.060 -1.770 25810 7327 1 14 . 1 1 61 61 ILE H H 61 7.564 7.564 8.348 -0.784 25810 7328 1 14 . 1 1 62 62 ASP N N 62 119.355 119.355 120.096 -0.741 25810 7329 1 14 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.351 -0.004 25810 7330 1 14 . 1 1 62 62 ASP CA C 62 57.676 57.676 56.999 0.676 25810 7331 1 14 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.617 -0.265 25810 7332 1 14 . 1 1 62 62 ASP H H 62 8.801 8.801 7.819 0.982 25810 7333 1 14 . 1 1 63 63 GLU N N 63 116.439 116.439 119.752 -3.313 25810 7334 1 14 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.114 -0.051 25810 7335 1 14 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.938 -0.117 25810 7336 1 14 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.933 0.191 25810 7337 1 14 . 1 1 63 63 GLU H H 63 7.702 7.702 8.029 -0.327 25810 7338 1 14 . 1 1 64 64 VAL N N 64 112.796 112.796 113.210 -0.414 25810 7339 1 14 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.958 0.236 25810 7340 1 14 . 1 1 64 64 VAL CA C 64 61.611 61.611 63.201 -1.590 25810 7341 1 14 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.583 1.081 25810 7342 1 14 . 1 1 64 64 VAL H H 64 7.151 7.151 7.796 -0.645 25810 7343 1 14 . 1 1 65 65 ASP N N 65 121.138 121.138 119.229 1.909 25810 7344 1 14 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.302 0.208 25810 7345 1 14 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.509 -1.944 25810 7346 1 14 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.818 -0.801 25810 7347 1 14 . 1 1 65 65 ASP H H 65 7.866 7.866 7.403 0.463 25810 7348 1 14 . 1 1 66 66 GLU N N 66 128.324 128.324 124.912 3.412 25810 7349 1 14 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.090 0.104 25810 7350 1 14 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.639 -0.187 25810 7351 1 14 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.263 0.850 25810 7352 1 14 . 1 1 66 66 GLU H H 66 8.187 8.187 8.795 -0.608 25810 7353 1 14 . 1 1 67 67 ASP N N 67 114.662 114.662 116.632 -1.970 25810 7354 1 14 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.673 0.017 25810 7355 1 14 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.203 -0.443 25810 7356 1 14 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.949 -0.595 25810 7357 1 14 . 1 1 67 67 ASP H H 67 8.111 8.111 7.900 0.211 25810 7358 1 14 . 1 1 68 68 GLY N N 68 109.084 109.084 108.026 1.058 25810 7359 1 14 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.842 1.294 25810 7360 1 14 . 1 1 68 68 GLY H H 68 7.771 7.771 8.357 -0.586 25810 7361 1 14 . 1 1 69 69 SER N N 69 117.283 117.283 116.768 0.515 25810 7362 1 14 . 1 1 69 69 SER HA H 69 4.217 4.217 4.254 -0.037 25810 7363 1 14 . 1 1 69 69 SER CA C 69 60.270 60.270 59.754 0.516 25810 7364 1 14 . 1 1 69 69 SER CB C 69 64.648 64.648 63.665 0.983 25810 7365 1 14 . 1 1 69 69 SER H H 69 8.632 8.632 8.305 0.327 25810 7366 1 14 . 1 1 70 70 GLY N N 70 116.242 116.242 109.574 6.668 25810 7367 1 14 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.671 -0.183 25810 7368 1 14 . 1 1 70 70 GLY H H 70 10.710 10.710 9.324 1.386 25810 7369 1 14 . 1 1 71 71 THR N N 71 106.843 106.843 110.625 -3.782 25810 7370 1 14 . 1 1 71 71 THR HA H 71 4.941 4.941 4.624 0.317 25810 7371 1 14 . 1 1 71 71 THR CA C 71 58.422 58.422 59.449 -1.027 25810 7372 1 14 . 1 1 71 71 THR CB C 71 73.822 73.822 72.450 1.372 25810 7373 1 14 . 1 1 71 71 THR H H 71 7.551 7.551 7.168 0.383 25810 7374 1 14 . 1 1 72 72 VAL N N 72 127.231 127.231 122.801 4.430 25810 7375 1 14 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.674 0.400 25810 7376 1 14 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.359 0.438 25810 7377 1 14 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.677 1.248 25810 7378 1 14 . 1 1 72 72 VAL H H 72 9.690 9.690 8.706 0.984 25810 7379 1 14 . 1 1 73 73 ASP N N 73 129.232 129.232 126.424 2.808 25810 7380 1 14 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.821 0.271 25810 7381 1 14 . 1 1 73 73 ASP CA C 73 52.381 52.381 54.896 -2.515 25810 7382 1 14 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.586 -0.546 25810 7383 1 14 . 1 1 73 73 ASP H H 73 8.828 8.828 8.305 0.523 25810 7384 1 14 . 1 1 74 74 PHE N N 74 118.313 118.313 119.233 -0.920 25810 7385 1 14 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.899 -0.618 25810 7386 1 14 . 1 1 74 74 PHE CA C 74 61.369 61.369 63.273 -1.905 25810 7387 1 14 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.612 -0.022 25810 7388 1 14 . 1 1 74 74 PHE H H 74 8.496 8.496 9.132 -0.636 25810 7389 1 14 . 1 1 75 75 ASP N N 75 117.592 117.592 119.013 -1.421 25810 7390 1 14 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.530 -0.606 25810 7391 1 14 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.753 0.104 25810 7392 1 14 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.799 0.185 25810 7393 1 14 . 1 1 75 75 ASP H H 75 7.708 7.708 8.838 -1.130 25810 7394 1 14 . 1 1 76 76 GLU N N 76 120.100 120.100 120.458 -0.358 25810 7395 1 14 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.122 -0.203 25810 7396 1 14 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.160 -0.750 25810 7397 1 14 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.475 0.752 25810 7398 1 14 . 1 1 76 76 GLU H H 76 8.267 8.267 8.460 -0.193 25810 7399 1 14 . 1 1 77 77 PHE N N 77 122.101 122.101 121.491 0.610 25810 7400 1 14 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.155 -0.464 25810 7401 1 14 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.695 -0.779 25810 7402 1 14 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.163 0.906 25810 7403 1 14 . 1 1 77 77 PHE H H 77 8.760 8.760 8.500 0.260 25810 7404 1 14 . 1 1 78 78 LEU N N 78 120.110 120.110 119.823 0.287 25810 7405 1 14 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.946 -0.719 25810 7406 1 14 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.072 0.044 25810 7407 1 14 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.819 -0.209 25810 7408 1 14 . 1 1 78 78 LEU H H 78 8.404 8.404 7.670 0.734 25810 7409 1 14 . 1 1 79 79 VAL N N 79 116.259 116.259 118.253 -1.994 25810 7410 1 14 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.576 -0.369 25810 7411 1 14 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.431 0.198 25810 7412 1 14 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.504 -0.067 25810 7413 1 14 . 1 1 79 79 VAL H H 79 7.132 7.132 7.783 -0.651 25810 7414 1 14 . 1 1 80 80 MET N N 80 118.429 118.429 119.272 -0.843 25810 7415 1 14 . 1 1 80 80 MET HA H 80 3.810 3.810 3.981 -0.171 25810 7416 1 14 . 1 1 80 80 MET CA C 80 57.828 57.828 58.333 -0.505 25810 7417 1 14 . 1 1 80 80 MET CB C 80 31.114 31.114 32.413 -1.299 25810 7418 1 14 . 1 1 80 80 MET H H 80 7.191 7.191 8.403 -1.212 25810 7419 1 14 . 1 1 81 81 MET H H 81 8.104 8.104 7.413 0.691 25810 7420 1 14 . 1 1 86 86 LYS N N 86 118.058 118.058 122.016 -3.958 25810 7421 1 14 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.959 0.341 25810 7422 1 14 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.224 -1.826 25810 7423 1 14 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.553 0.293 25810 7424 1 14 . 1 1 86 86 LYS H H 86 7.750 7.750 8.218 -0.468 25810 7425 1 14 . 1 1 87 87 ASP N N 87 120.199 120.199 119.320 0.879 25810 7426 1 14 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.356 0.302 25810 7427 1 14 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.094 -1.977 25810 7428 1 14 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.672 0.704 25810 7429 1 14 . 1 1 87 87 ASP H H 87 8.102 8.102 7.825 0.277 25810 7430 1 14 . 1 1 88 88 ASP N N 88 121.497 121.497 118.907 2.590 25810 7431 1 14 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.467 0.223 25810 7432 1 14 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.168 -2.502 25810 7433 1 14 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.507 0.650 25810 7434 1 14 . 1 1 88 88 ASP H H 88 8.363 8.363 8.559 -0.196 25810 7435 1 14 . 1 1 89 89 SER N N 89 115.602 115.602 116.590 -0.988 25810 7436 1 14 . 1 1 89 89 SER HA H 89 4.347 4.347 4.228 0.119 25810 7437 1 14 . 1 1 89 89 SER CA C 89 59.571 59.571 61.601 -2.030 25810 7438 1 14 . 1 1 89 89 SER CB C 89 63.999 63.999 62.733 1.266 25810 7439 1 14 . 1 1 89 89 SER H H 89 8.251 8.251 8.109 0.142 25810 7440 1 14 . 1 1 90 90 GLU N N 90 121.265 121.265 121.508 -0.243 25810 7441 1 14 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.118 0.112 25810 7442 1 14 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.684 -1.632 25810 7443 1 14 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.552 0.258 25810 7444 1 14 . 1 1 90 90 GLU H H 90 8.331 8.331 7.814 0.517 25810 7445 1 14 . 1 1 91 91 ASN N N 91 118.544 118.544 116.285 2.259 25810 7446 1 14 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.707 -0.052 25810 7447 1 14 . 1 1 91 91 ASN CA C 91 53.461 53.461 52.890 0.571 25810 7448 1 14 . 1 1 91 91 ASN CB C 91 39.208 39.208 38.929 0.279 25810 7449 1 14 . 1 1 91 91 ASN H H 91 8.131 8.131 7.581 0.550 25810 7450 1 14 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.598 -0.605 25810 7451 1 14 . 1 1 95 95 GLN CA C 95 56.411 56.411 54.915 1.496 25810 7452 1 14 . 1 1 95 95 GLN CB C 95 29.282 29.282 30.662 -1.379 25810 7453 1 14 . 1 1 96 96 GLY N N 96 109.372 109.372 109.759 -0.387 25810 7454 1 14 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.924 -0.236 25810 7455 1 14 . 1 1 96 96 GLY H H 96 8.110 8.110 8.636 -0.526 25810 7456 1 14 . 1 1 97 97 ARG N N 97 120.154 120.154 120.759 -0.605 25810 7457 1 14 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.554 -0.087 25810 7458 1 14 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.604 -0.038 25810 7459 1 14 . 1 1 97 97 ARG CB C 97 31.505 31.505 31.183 0.322 25810 7460 1 14 . 1 1 97 97 ARG H H 97 7.966 7.966 7.947 0.019 25810 7461 1 14 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.062 0.080 25810 7462 1 14 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.461 -0.422 25810 7463 1 14 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.140 -1.265 25810 7464 1 14 . 1 1 100 100 ARG N N 100 125.661 125.661 126.174 -0.513 25810 7465 1 14 . 1 1 100 100 ARG HA H 100 4.501 4.501 3.998 0.503 25810 7466 1 14 . 1 1 100 100 ARG CA C 100 55.557 55.557 58.401 -2.844 25810 7467 1 14 . 1 1 100 100 ARG H H 100 8.379 8.379 8.653 -0.274 25810 7468 1 14 . 1 1 102 102 SER HA H 102 4.356 4.356 4.466 -0.110 25810 7469 1 14 . 1 1 102 102 SER CA C 102 57.361 57.361 58.327 -0.966 25810 7470 1 14 . 1 1 102 102 SER CB C 102 65.237 65.237 64.505 0.732 25810 7471 1 14 . 1 1 103 103 ALA N N 103 125.468 125.468 125.569 -0.101 25810 7472 1 14 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.114 -0.103 25810 7473 1 14 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.361 0.625 25810 7474 1 14 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.436 0.157 25810 7475 1 14 . 1 1 103 103 ALA H H 103 9.148 9.148 8.747 0.401 25810 7476 1 14 . 1 1 104 104 ASP N N 104 115.217 115.217 118.102 -2.885 25810 7477 1 14 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.504 -0.196 25810 7478 1 14 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.718 0.589 25810 7479 1 14 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.048 0.930 25810 7480 1 14 . 1 1 104 104 ASP H H 104 8.517 8.517 8.640 -0.123 25810 7481 1 14 . 1 1 105 105 ALA N N 105 122.884 122.884 122.082 0.802 25810 7482 1 14 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.145 -0.065 25810 7483 1 14 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.799 0.305 25810 7484 1 14 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.225 0.112 25810 7485 1 14 . 1 1 105 105 ALA H H 105 7.953 7.953 8.121 -0.168 25810 7486 1 14 . 1 1 106 106 MET N N 106 118.710 118.710 119.017 -0.307 25810 7487 1 14 . 1 1 106 106 MET HA H 106 3.987 3.987 4.091 -0.104 25810 7488 1 14 . 1 1 106 106 MET CA C 106 59.704 59.704 59.134 0.570 25810 7489 1 14 . 1 1 106 106 MET CB C 106 33.450 33.450 32.838 0.612 25810 7490 1 14 . 1 1 106 106 MET H H 106 8.186 8.186 8.373 -0.187 25810 7491 1 14 . 1 1 107 107 MET N N 107 116.864 116.864 118.941 -2.077 25810 7492 1 14 . 1 1 107 107 MET HA H 107 4.446 4.446 4.104 0.342 25810 7493 1 14 . 1 1 107 107 MET CA C 107 57.649 57.649 57.866 -0.217 25810 7494 1 14 . 1 1 107 107 MET CB C 107 31.359 31.359 31.801 -0.442 25810 7495 1 14 . 1 1 107 107 MET H H 107 8.483 8.483 7.824 0.659 25810 7496 1 14 . 1 1 108 108 GLN N N 108 117.959 117.959 119.123 -1.164 25810 7497 1 14 . 1 1 108 108 GLN HA H 108 4.009 4.009 4.008 0.001 25810 7498 1 14 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.043 -0.057 25810 7499 1 14 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.615 -0.095 25810 7500 1 14 . 1 1 108 108 GLN H H 108 8.359 8.359 8.143 0.216 25810 7501 1 14 . 1 1 109 109 ALA N N 109 121.657 121.657 122.718 -1.061 25810 7502 1 14 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.123 0.016 25810 7503 1 14 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.934 -0.169 25810 7504 1 14 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.473 -0.034 25810 7505 1 14 . 1 1 109 109 ALA H H 109 7.855 7.855 8.323 -0.468 25810 7506 1 14 . 1 1 110 110 LEU N N 110 116.183 116.183 119.024 -2.841 25810 7507 1 14 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.119 0.006 25810 7508 1 14 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.296 0.136 25810 7509 1 14 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.218 0.414 25810 7510 1 14 . 1 1 110 110 LEU H H 110 7.933 7.933 7.947 -0.014 25810 7511 1 14 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.600 -0.990 25810 7512 1 14 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.748 0.144 25810 7513 1 14 . 1 1 112 112 GLY N N 112 109.198 109.198 104.656 4.542 25810 7514 1 14 . 1 1 112 112 GLY CA C 112 46.067 46.067 44.664 1.403 25810 7515 1 14 . 1 1 112 112 GLY H H 112 7.928 7.928 7.894 0.034 25810 7516 1 14 . 1 1 113 113 ALA N N 113 124.374 124.374 123.885 0.489 25810 7517 1 14 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.439 -0.176 25810 7518 1 14 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.258 1.146 25810 7519 1 14 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.571 -0.858 25810 7520 1 14 . 1 1 113 113 ALA H H 113 8.211 8.211 8.308 -0.097 25810 7521 1 14 . 1 1 114 114 ARG N N 114 117.947 117.947 120.988 -3.041 25810 7522 1 14 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.210 0.037 25810 7523 1 14 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.064 0.504 25810 7524 1 14 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.157 0.232 25810 7525 1 14 . 1 1 114 114 ARG H H 114 7.974 7.974 8.181 -0.207 25810 7526 1 14 . 1 1 115 115 ALA N N 115 123.079 123.079 126.573 -3.494 25810 7527 1 14 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.518 -0.302 25810 7528 1 14 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.442 1.341 25810 7529 1 14 . 1 1 115 115 ALA CB C 115 18.915 18.915 20.179 -1.264 25810 7530 1 14 . 1 1 115 115 ALA H H 115 7.969 7.969 8.339 -0.370 25810 7531 1 14 . 1 1 116 116 LYS N N 116 120.562 120.562 119.768 0.794 25810 7532 1 14 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.495 -0.256 25810 7533 1 14 . 1 1 116 116 LYS CA C 116 57.421 57.421 55.946 1.475 25810 7534 1 14 . 1 1 116 116 LYS CB C 116 33.373 33.373 34.005 -0.632 25810 7535 1 14 . 1 1 116 116 LYS H H 116 8.310 8.310 8.392 -0.082 25810 7536 1 14 . 1 1 117 117 GLU N N 117 121.115 121.115 119.007 2.108 25810 7537 1 14 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.016 0.243 25810 7538 1 14 . 1 1 117 117 GLU CA C 117 57.347 57.347 57.661 -0.314 25810 7539 1 14 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.575 0.462 25810 7540 1 14 . 1 1 117 117 GLU H H 117 8.646 8.646 8.782 -0.136 25810 7541 1 14 . 1 1 118 118 SER N N 118 115.616 115.616 114.679 0.937 25810 7542 1 14 . 1 1 118 118 SER HA H 118 4.322 4.322 4.231 0.091 25810 7543 1 14 . 1 1 118 118 SER CA C 118 59.082 59.082 60.258 -1.176 25810 7544 1 14 . 1 1 118 118 SER CB C 118 63.624 63.624 63.174 0.450 25810 7545 1 14 . 1 1 118 118 SER H H 118 8.346 8.346 8.148 0.198 25810 7546 1 14 . 1 1 119 119 LEU N N 119 122.984 122.984 120.906 2.078 25810 7547 1 14 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.205 0.103 25810 7548 1 14 . 1 1 119 119 LEU CA C 119 55.503 55.503 55.974 -0.471 25810 7549 1 14 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.133 0.128 25810 7550 1 14 . 1 1 119 119 LEU H H 119 7.970 7.970 7.674 0.296 25810 7551 1 14 . 1 1 120 120 ASP N N 120 120.516 120.516 118.844 1.672 25810 7552 1 14 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.652 -0.042 25810 7553 1 14 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.480 -0.028 25810 7554 1 14 . 1 1 120 120 ASP CB C 120 41.020 41.020 41.824 -0.804 25810 7555 1 14 . 1 1 120 120 ASP H H 120 8.149 8.149 7.647 0.502 25810 7556 1 14 . 1 1 121 121 LEU N N 121 122.598 122.598 120.721 1.877 25810 7557 1 14 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.659 -0.384 25810 7558 1 14 . 1 1 121 121 LEU CA C 121 56.021 56.021 53.378 2.643 25810 7559 1 14 . 1 1 121 121 LEU CB C 121 42.054 42.054 45.386 -3.332 25810 7560 1 14 . 1 1 121 121 LEU H H 121 8.111 8.111 7.949 0.162 25810 7561 1 14 . 1 1 122 122 ARG N N 122 119.425 119.425 119.967 -0.542 25810 7562 1 14 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.214 0.033 25810 7563 1 14 . 1 1 122 122 ARG CA C 122 56.615 56.615 58.374 -1.760 25810 7564 1 14 . 1 1 122 122 ARG CB C 122 30.436 30.436 29.890 0.546 25810 7565 1 14 . 1 1 122 122 ARG H H 122 8.131 8.131 8.706 -0.575 25810 7566 1 14 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.851 0.293 25810 7567 1 14 . 1 1 123 123 ALA CB C 123 19.123 19.123 18.938 0.185 25810 7568 1 14 . 1 1 124 124 HIS N N 124 117.075 117.075 116.995 0.080 25810 7569 1 14 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.678 -0.581 25810 7570 1 14 . 1 1 124 124 HIS CB C 124 30.425 30.425 27.676 2.749 25810 7571 1 14 . 1 1 124 124 HIS H H 124 8.185 8.185 7.808 0.377 25810 7572 1 14 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.418 -0.064 25810 7573 1 14 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.285 -0.028 25810 7574 1 14 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.565 -0.264 25810 7575 1 15 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 31.698 -1.121 25810 7576 1 15 . 1 1 -7 -7 GLY N N -7 108.818 108.818 109.506 -0.688 25810 7577 1 15 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.405 0.779 25810 7578 1 15 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.624 -0.294 25810 7579 1 15 . 1 1 0 0 ASP N N 0 115.716 115.716 117.294 -1.578 25810 7580 1 15 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.415 0.073 25810 7581 1 15 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.416 0.267 25810 7582 1 15 . 1 1 0 0 ASP CB C 0 63.996 63.996 64.338 -0.342 25810 7583 1 15 . 1 1 0 0 ASP H H 0 8.155 8.155 8.232 -0.077 25810 7584 1 15 . 1 1 1 1 MET N N 1 121.815 121.815 121.013 0.802 25810 7585 1 15 . 1 1 1 1 MET HA H 1 4.450 4.450 4.067 0.383 25810 7586 1 15 . 1 1 1 1 MET CA C 1 55.996 55.996 56.057 -0.061 25810 7587 1 15 . 1 1 1 1 MET CB C 1 32.334 32.334 30.213 2.121 25810 7588 1 15 . 1 1 1 1 MET H H 1 8.553 8.553 8.760 -0.207 25810 7589 1 15 . 1 1 2 2 ASP N N 2 119.828 119.828 119.761 0.067 25810 7590 1 15 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.159 0.322 25810 7591 1 15 . 1 1 2 2 ASP CA C 2 56.123 56.123 56.918 -0.795 25810 7592 1 15 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.155 0.956 25810 7593 1 15 . 1 1 3 3 ASP N N 3 119.912 119.912 120.273 -0.361 25810 7594 1 15 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.447 0.029 25810 7595 1 15 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.863 -0.643 25810 7596 1 15 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.558 0.384 25810 7597 1 15 . 1 1 3 3 ASP H H 3 8.098 8.098 8.466 -0.368 25810 7598 1 15 . 1 1 4 4 ILE N N 4 120.617 120.617 119.640 0.977 25810 7599 1 15 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.730 0.117 25810 7600 1 15 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.327 -0.490 25810 7601 1 15 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.939 -0.151 25810 7602 1 15 . 1 1 4 4 ILE H H 4 7.897 7.897 7.876 0.021 25810 7603 1 15 . 1 1 5 5 TYR N N 5 121.116 121.116 118.935 2.181 25810 7604 1 15 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.023 0.285 25810 7605 1 15 . 1 1 5 5 TYR CA C 5 60.251 60.251 60.187 0.064 25810 7606 1 15 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.408 0.181 25810 7607 1 15 . 1 1 5 5 TYR H H 5 7.961 7.961 8.020 -0.059 25810 7608 1 15 . 1 1 6 6 LYS N N 6 120.005 120.005 119.669 0.336 25810 7609 1 15 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.910 0.013 25810 7610 1 15 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.018 0.526 25810 7611 1 15 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.148 0.207 25810 7612 1 15 . 1 1 6 6 LYS H H 6 8.008 8.008 8.674 -0.666 25810 7613 1 15 . 1 1 7 7 ALA N N 7 120.589 120.589 121.295 -0.706 25810 7614 1 15 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.069 0.085 25810 7615 1 15 . 1 1 7 7 ALA CA C 7 54.517 54.517 55.066 -0.549 25810 7616 1 15 . 1 1 7 7 ALA CB C 7 18.086 18.086 17.944 0.142 25810 7617 1 15 . 1 1 7 7 ALA H H 7 7.816 7.816 7.878 -0.062 25810 7618 1 15 . 1 1 8 8 ALA N N 8 120.065 120.065 121.082 -1.017 25810 7619 1 15 . 1 1 8 8 ALA HA H 8 4.154 4.154 4.212 -0.058 25810 7620 1 15 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.606 0.092 25810 7621 1 15 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.297 0.186 25810 7622 1 15 . 1 1 8 8 ALA H H 8 7.622 7.622 7.670 -0.048 25810 7623 1 15 . 1 1 9 9 VAL N N 9 118.101 118.101 118.090 0.011 25810 7624 1 15 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.594 -0.035 25810 7625 1 15 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.417 -0.383 25810 7626 1 15 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.654 0.028 25810 7627 1 15 . 1 1 9 9 VAL H H 9 7.974 7.974 7.423 0.551 25810 7628 1 15 . 1 1 10 10 GLU N N 10 118.217 118.217 117.027 1.190 25810 7629 1 15 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.049 0.078 25810 7630 1 15 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.627 -0.358 25810 7631 1 15 . 1 1 10 10 GLU CB C 10 29.564 29.564 30.079 -0.516 25810 7632 1 15 . 1 1 10 10 GLU H H 10 7.682 7.682 8.106 -0.424 25810 7633 1 15 . 1 1 11 11 GLN N N 11 114.903 114.903 116.184 -1.281 25810 7634 1 15 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.150 0.173 25810 7635 1 15 . 1 1 11 11 GLN CA C 11 55.652 55.652 57.323 -1.671 25810 7636 1 15 . 1 1 11 11 GLN CB C 11 29.447 29.447 28.868 0.579 25810 7637 1 15 . 1 1 11 11 GLN H H 11 7.404 7.404 7.785 -0.381 25810 7638 1 15 . 1 1 12 12 LEU N N 12 120.467 120.467 122.753 -2.286 25810 7639 1 15 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.260 0.322 25810 7640 1 15 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.702 0.295 25810 7641 1 15 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.365 1.201 25810 7642 1 15 . 1 1 12 12 LEU H H 12 7.354 7.354 7.558 -0.204 25810 7643 1 15 . 1 1 13 13 THR N N 13 113.431 113.431 113.743 -0.312 25810 7644 1 15 . 1 1 13 13 THR HA H 13 4.462 4.462 4.549 -0.087 25810 7645 1 15 . 1 1 13 13 THR CA C 13 60.759 60.759 59.982 0.777 25810 7646 1 15 . 1 1 13 13 THR CB C 13 71.101 71.101 70.304 0.797 25810 7647 1 15 . 1 1 13 13 THR H H 13 8.844 8.844 7.983 0.861 25810 7648 1 15 . 1 1 14 14 GLU N N 14 121.790 121.790 121.635 0.155 25810 7649 1 15 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.002 -0.039 25810 7650 1 15 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.528 -0.654 25810 7651 1 15 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.353 -0.035 25810 7652 1 15 . 1 1 14 14 GLU H H 14 9.013 9.013 8.879 0.134 25810 7653 1 15 . 1 1 15 15 GLU N N 15 117.495 117.495 119.331 -1.836 25810 7654 1 15 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.044 0.016 25810 7655 1 15 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.575 0.757 25810 7656 1 15 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.252 -0.076 25810 7657 1 15 . 1 1 15 15 GLU H H 15 8.653 8.653 8.686 -0.033 25810 7658 1 15 . 1 1 16 16 GLN N N 16 119.205 119.205 118.531 0.674 25810 7659 1 15 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.094 -0.237 25810 7660 1 15 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.778 0.170 25810 7661 1 15 . 1 1 16 16 GLN CB C 16 29.731 29.731 29.024 0.707 25810 7662 1 15 . 1 1 16 16 GLN H H 16 7.839 7.839 7.704 0.135 25810 7663 1 15 . 1 1 17 17 LYS N N 17 119.027 119.027 120.436 -1.409 25810 7664 1 15 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.138 -0.114 25810 7665 1 15 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.649 2.039 25810 7666 1 15 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.408 -0.352 25810 7667 1 15 . 1 1 17 17 LYS H H 17 8.539 8.539 8.452 0.087 25810 7668 1 15 . 1 1 18 18 ASN N N 18 117.428 117.428 118.369 -0.941 25810 7669 1 15 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.467 0.095 25810 7670 1 15 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.696 -0.523 25810 7671 1 15 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.493 -0.689 25810 7672 1 15 . 1 1 18 18 ASN H H 18 8.552 8.552 8.577 -0.025 25810 7673 1 15 . 1 1 19 19 GLU N N 19 123.611 123.611 120.835 2.776 25810 7674 1 15 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.019 0.186 25810 7675 1 15 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.586 0.213 25810 7676 1 15 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.450 -0.044 25810 7677 1 15 . 1 1 19 19 GLU H H 19 8.012 8.012 8.067 -0.055 25810 7678 1 15 . 1 1 20 20 PHE N N 20 117.357 117.357 118.998 -1.641 25810 7679 1 15 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.366 0.488 25810 7680 1 15 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.745 -1.012 25810 7681 1 15 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.131 -0.809 25810 7682 1 15 . 1 1 20 20 PHE H H 20 8.320 8.320 8.185 0.135 25810 7683 1 15 . 1 1 21 21 LYS N N 21 122.064 122.064 120.554 1.510 25810 7684 1 15 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.147 -0.122 25810 7685 1 15 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.918 -1.244 25810 7686 1 15 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.449 -0.765 25810 7687 1 15 . 1 1 21 21 LYS H H 21 8.864 8.864 8.643 0.221 25810 7688 1 15 . 1 1 22 22 ALA N N 22 121.827 121.827 121.285 0.542 25810 7689 1 15 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.135 0.078 25810 7690 1 15 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.112 -0.381 25810 7691 1 15 . 1 1 22 22 ALA H H 22 8.009 8.009 8.399 -0.390 25810 7692 1 15 . 1 1 23 23 ALA N N 23 119.945 119.945 121.469 -1.524 25810 7693 1 15 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.135 -0.006 25810 7694 1 15 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.906 0.433 25810 7695 1 15 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.434 0.552 25810 7696 1 15 . 1 1 23 23 ALA H H 23 8.178 8.178 8.041 0.137 25810 7697 1 15 . 1 1 24 24 PHE N N 24 121.275 121.275 119.564 1.711 25810 7698 1 15 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.000 -0.462 25810 7699 1 15 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.176 1.237 25810 7700 1 15 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.262 0.479 25810 7701 1 15 . 1 1 24 24 PHE H H 24 8.925 8.925 8.490 0.435 25810 7702 1 15 . 1 1 25 25 ASP N N 25 117.407 117.407 119.904 -2.497 25810 7703 1 15 . 1 1 25 25 ASP HA H 25 4.264 4.264 3.935 0.329 25810 7704 1 15 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.091 -0.077 25810 7705 1 15 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.569 -0.672 25810 7706 1 15 . 1 1 25 25 ASP H H 25 8.714 8.714 8.289 0.425 25810 7707 1 15 . 1 1 26 26 ILE N N 26 119.320 119.320 119.294 0.026 25810 7708 1 15 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.584 0.233 25810 7709 1 15 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.688 -1.274 25810 7710 1 15 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.876 -0.433 25810 7711 1 15 . 1 1 26 26 ILE H H 26 7.337 7.337 7.504 -0.167 25810 7712 1 15 . 1 1 27 27 PHE N N 27 123.734 123.734 117.704 6.030 25810 7713 1 15 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.158 -0.582 25810 7714 1 15 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.034 1.584 25810 7715 1 15 . 1 1 27 27 PHE H H 27 8.139 8.139 7.642 0.497 25810 7716 1 15 . 1 1 28 28 VAL N N 28 105.007 105.007 117.145 -12.138 25810 7717 1 15 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.700 0.383 25810 7718 1 15 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.433 -2.277 25810 7719 1 15 . 1 1 28 28 VAL CB C 28 31.392 31.392 32.139 -0.747 25810 7720 1 15 . 1 1 28 28 VAL H H 28 7.505 7.505 7.722 -0.217 25810 7721 1 15 . 1 1 29 29 LEU N N 29 126.175 126.175 121.129 5.046 25810 7722 1 15 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.136 -0.041 25810 7723 1 15 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.742 0.754 25810 7724 1 15 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.022 0.553 25810 7725 1 15 . 1 1 29 29 LEU H H 29 7.274 7.274 7.259 0.015 25810 7726 1 15 . 1 1 30 30 GLY N N 30 113.173 113.173 110.811 2.362 25810 7727 1 15 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.818 0.722 25810 7728 1 15 . 1 1 30 30 GLY H H 30 8.950 8.950 8.414 0.536 25810 7729 1 15 . 1 1 31 31 ALA N N 31 124.109 124.109 124.142 -0.033 25810 7730 1 15 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.550 -0.093 25810 7731 1 15 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.102 1.126 25810 7732 1 15 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.786 0.136 25810 7733 1 15 . 1 1 31 31 ALA H H 31 8.131 8.131 7.557 0.574 25810 7734 1 15 . 1 1 32 32 GLU N N 32 124.956 124.956 123.980 0.976 25810 7735 1 15 . 1 1 32 32 GLU HA H 32 4.100 4.100 3.981 0.119 25810 7736 1 15 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.795 0.298 25810 7737 1 15 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.551 0.335 25810 7738 1 15 . 1 1 32 32 GLU H H 32 9.204 9.204 8.967 0.237 25810 7739 1 15 . 1 1 33 33 ASP N N 33 115.544 115.544 117.771 -2.227 25810 7740 1 15 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.494 0.271 25810 7741 1 15 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.680 -1.609 25810 7742 1 15 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.931 0.452 25810 7743 1 15 . 1 1 33 33 ASP H H 33 8.156 8.156 8.147 0.009 25810 7744 1 15 . 1 1 34 34 GLY N N 34 105.580 105.580 106.851 -1.271 25810 7745 1 15 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.612 1.127 25810 7746 1 15 . 1 1 34 34 GLY H H 34 7.582 7.582 7.691 -0.109 25810 7747 1 15 . 1 1 35 35 SER N N 35 113.292 113.292 112.231 1.061 25810 7748 1 15 . 1 1 35 35 SER HA H 35 4.960 4.960 4.910 0.050 25810 7749 1 15 . 1 1 35 35 SER CA C 35 57.390 57.390 55.746 1.644 25810 7750 1 15 . 1 1 35 35 SER CB C 35 66.240 66.240 66.686 -0.446 25810 7751 1 15 . 1 1 35 35 SER H H 35 7.584 7.584 7.377 0.207 25810 7752 1 15 . 1 1 36 36 ILE N N 36 119.513 119.513 118.595 0.918 25810 7753 1 15 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.413 -0.650 25810 7754 1 15 . 1 1 36 36 ILE CA C 36 63.288 63.288 61.357 1.931 25810 7755 1 15 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.335 2.270 25810 7756 1 15 . 1 1 36 36 ILE H H 36 9.028 9.028 8.034 0.994 25810 7757 1 15 . 1 1 37 37 SER N N 37 126.146 126.146 121.753 4.393 25810 7758 1 15 . 1 1 37 37 SER HA H 37 5.198 5.198 5.011 0.187 25810 7759 1 15 . 1 1 37 37 SER CA C 37 57.010 57.010 56.761 0.249 25810 7760 1 15 . 1 1 37 37 SER CB C 37 67.563 67.563 65.915 1.648 25810 7761 1 15 . 1 1 37 37 SER H H 37 9.571 9.571 9.217 0.354 25810 7762 1 15 . 1 1 38 38 THR N N 38 111.059 111.059 113.161 -2.102 25810 7763 1 15 . 1 1 38 38 THR HA H 38 4.514 4.514 4.109 0.405 25810 7764 1 15 . 1 1 38 38 THR CA C 38 66.653 66.653 65.941 0.712 25810 7765 1 15 . 1 1 38 38 THR CB C 38 68.362 68.362 68.451 -0.089 25810 7766 1 15 . 1 1 38 38 THR H H 38 8.794 8.794 8.686 0.108 25810 7767 1 15 . 1 1 39 39 LYS N N 39 123.369 123.369 121.358 2.011 25810 7768 1 15 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.966 0.090 25810 7769 1 15 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.653 0.113 25810 7770 1 15 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.320 -0.117 25810 7771 1 15 . 1 1 39 39 LYS H H 39 8.044 8.044 7.551 0.493 25810 7772 1 15 . 1 1 40 40 GLU N N 40 119.970 119.970 119.513 0.457 25810 7773 1 15 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.128 0.046 25810 7774 1 15 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.228 2.044 25810 7775 1 15 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.285 0.907 25810 7776 1 15 . 1 1 40 40 GLU H H 40 7.714 7.714 7.988 -0.274 25810 7777 1 15 . 1 1 41 41 LEU N N 41 119.088 119.088 120.579 -1.491 25810 7778 1 15 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.041 0.208 25810 7779 1 15 . 1 1 41 41 LEU CA C 41 57.871 57.871 58.026 -0.155 25810 7780 1 15 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.806 0.430 25810 7781 1 15 . 1 1 41 41 LEU H H 41 8.375 8.375 7.663 0.712 25810 7782 1 15 . 1 1 42 42 GLY N N 42 106.311 106.311 106.832 -0.521 25810 7783 1 15 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.182 1.049 25810 7784 1 15 . 1 1 42 42 GLY H H 42 8.581 8.581 8.578 0.003 25810 7785 1 15 . 1 1 43 43 LYS N N 43 120.717 120.717 122.234 -1.517 25810 7786 1 15 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.063 -0.092 25810 7787 1 15 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.310 0.730 25810 7788 1 15 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.559 -0.166 25810 7789 1 15 . 1 1 43 43 LYS H H 43 7.293 7.293 7.569 -0.276 25810 7790 1 15 . 1 1 44 44 VAL N N 44 119.884 119.884 119.922 -0.038 25810 7791 1 15 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.850 -0.209 25810 7792 1 15 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.295 0.149 25810 7793 1 15 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.462 0.594 25810 7794 1 15 . 1 1 44 44 VAL H H 44 7.560 7.560 7.705 -0.145 25810 7795 1 15 . 1 1 45 45 MET N N 45 117.256 117.256 118.046 -0.790 25810 7796 1 15 . 1 1 45 45 MET HA H 45 4.179 4.179 4.116 0.063 25810 7797 1 15 . 1 1 45 45 MET CA C 45 57.934 57.934 57.904 0.030 25810 7798 1 15 . 1 1 45 45 MET CB C 45 31.407 31.407 31.279 0.128 25810 7799 1 15 . 1 1 45 45 MET H H 45 8.575 8.575 8.142 0.433 25810 7800 1 15 . 1 1 46 46 ARG N N 46 118.652 118.652 119.484 -0.832 25810 7801 1 15 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.176 0.418 25810 7802 1 15 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.291 0.132 25810 7803 1 15 . 1 1 46 46 ARG CB C 46 29.860 29.860 29.956 -0.096 25810 7804 1 15 . 1 1 46 46 ARG H H 46 8.080 8.080 8.058 0.022 25810 7805 1 15 . 1 1 47 47 MET N N 47 122.632 122.632 117.902 4.730 25810 7806 1 15 . 1 1 47 47 MET HA H 47 4.179 4.179 4.207 -0.029 25810 7807 1 15 . 1 1 47 47 MET CA C 47 59.178 59.178 58.629 0.549 25810 7808 1 15 . 1 1 47 47 MET CB C 47 32.669 32.669 32.570 0.099 25810 7809 1 15 . 1 1 47 47 MET H H 47 7.864 7.864 7.608 0.256 25810 7810 1 15 . 1 1 48 48 LEU N N 48 117.884 117.884 116.922 0.962 25810 7811 1 15 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.271 0.091 25810 7812 1 15 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.512 -0.974 25810 7813 1 15 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.303 -0.485 25810 7814 1 15 . 1 1 48 48 LEU H H 48 7.485 7.485 7.697 -0.212 25810 7815 1 15 . 1 1 49 49 GLY N N 49 107.912 107.912 106.106 1.806 25810 7816 1 15 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.752 1.211 25810 7817 1 15 . 1 1 49 49 GLY H H 49 7.884 7.884 7.642 0.242 25810 7818 1 15 . 1 1 50 50 GLN N N 50 117.606 117.606 119.410 -1.804 25810 7819 1 15 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.538 -0.037 25810 7820 1 15 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.345 -0.953 25810 7821 1 15 . 1 1 50 50 GLN CB C 50 30.773 30.773 32.104 -1.331 25810 7822 1 15 . 1 1 50 50 GLN H H 50 8.096 8.096 8.288 -0.192 25810 7823 1 15 . 1 1 51 51 ASN N N 51 116.663 116.663 120.572 -3.909 25810 7824 1 15 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.067 0.055 25810 7825 1 15 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.502 0.728 25810 7826 1 15 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.684 -0.538 25810 7827 1 15 . 1 1 51 51 ASN H H 51 8.693 8.693 8.615 0.078 25810 7828 1 15 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.473 0.216 25810 7829 1 15 . 1 1 53 53 THR N N 53 113.865 113.865 113.968 -0.103 25810 7830 1 15 . 1 1 53 53 THR H H 53 8.985 8.985 8.115 0.870 25810 7831 1 15 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.270 -0.084 25810 7832 1 15 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.684 0.578 25810 7833 1 15 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.892 -0.002 25810 7834 1 15 . 1 1 55 55 GLU N N 55 117.475 117.475 117.883 -0.408 25810 7835 1 15 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.036 0.008 25810 7836 1 15 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.790 0.825 25810 7837 1 15 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.776 -0.041 25810 7838 1 15 . 1 1 55 55 GLU H H 55 8.785 8.785 8.819 -0.034 25810 7839 1 15 . 1 1 56 56 GLU N N 56 121.699 121.699 119.461 2.238 25810 7840 1 15 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.089 -0.065 25810 7841 1 15 . 1 1 56 56 GLU CA C 56 59.255 59.255 59.118 0.137 25810 7842 1 15 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.289 0.807 25810 7843 1 15 . 1 1 56 56 GLU H H 56 7.815 7.815 8.067 -0.252 25810 7844 1 15 . 1 1 57 57 LEU N N 57 118.421 118.421 120.121 -1.700 25810 7845 1 15 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.005 0.008 25810 7846 1 15 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.139 -1.577 25810 7847 1 15 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.530 1.202 25810 7848 1 15 . 1 1 57 57 LEU H H 57 8.246 8.246 7.749 0.497 25810 7849 1 15 . 1 1 58 58 GLN N N 58 118.349 118.349 118.816 -0.467 25810 7850 1 15 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.989 -0.292 25810 7851 1 15 . 1 1 58 58 GLN CA C 58 58.337 58.337 58.733 -0.396 25810 7852 1 15 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.225 0.343 25810 7853 1 15 . 1 1 58 58 GLN H H 58 8.003 8.003 8.264 -0.261 25810 7854 1 15 . 1 1 59 59 GLU N N 59 119.049 119.049 119.769 -0.720 25810 7855 1 15 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.079 0.018 25810 7856 1 15 . 1 1 59 59 GLU CA C 59 59.641 59.641 58.817 0.824 25810 7857 1 15 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.359 0.262 25810 7858 1 15 . 1 1 59 59 GLU H H 59 7.979 7.979 7.825 0.154 25810 7859 1 15 . 1 1 60 60 MET N N 60 117.492 117.492 121.387 -3.895 25810 7860 1 15 . 1 1 60 60 MET HA H 60 4.083 4.083 4.176 -0.093 25810 7861 1 15 . 1 1 60 60 MET CA C 60 59.764 59.764 59.416 0.348 25810 7862 1 15 . 1 1 60 60 MET CB C 60 34.533 34.533 32.979 1.554 25810 7863 1 15 . 1 1 60 60 MET H H 60 7.776 7.776 8.515 -0.739 25810 7864 1 15 . 1 1 61 61 ILE N N 61 118.035 118.035 119.302 -1.267 25810 7865 1 15 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.683 0.034 25810 7866 1 15 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.684 -1.571 25810 7867 1 15 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.921 -1.631 25810 7868 1 15 . 1 1 61 61 ILE H H 61 7.564 7.564 8.305 -0.741 25810 7869 1 15 . 1 1 62 62 ASP N N 62 119.355 119.355 120.931 -1.576 25810 7870 1 15 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.373 -0.026 25810 7871 1 15 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.658 0.018 25810 7872 1 15 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.218 0.134 25810 7873 1 15 . 1 1 62 62 ASP H H 62 8.801 8.801 7.856 0.945 25810 7874 1 15 . 1 1 63 63 GLU N N 63 116.439 116.439 119.234 -2.795 25810 7875 1 15 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.008 0.055 25810 7876 1 15 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.998 -0.177 25810 7877 1 15 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.884 0.239 25810 7878 1 15 . 1 1 63 63 GLU H H 63 7.702 7.702 7.843 -0.141 25810 7879 1 15 . 1 1 64 64 VAL N N 64 112.796 112.796 117.434 -4.638 25810 7880 1 15 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.764 0.430 25810 7881 1 15 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.461 -3.850 25810 7882 1 15 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.765 0.899 25810 7883 1 15 . 1 1 64 64 VAL H H 64 7.151 7.151 7.448 -0.297 25810 7884 1 15 . 1 1 65 65 ASP N N 65 121.138 121.138 118.876 2.262 25810 7885 1 15 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.308 0.202 25810 7886 1 15 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.981 -2.416 25810 7887 1 15 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.945 -0.928 25810 7888 1 15 . 1 1 65 65 ASP H H 65 7.866 7.866 8.016 -0.150 25810 7889 1 15 . 1 1 66 66 GLU N N 66 128.324 128.324 123.353 4.971 25810 7890 1 15 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.252 -0.058 25810 7891 1 15 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.421 0.031 25810 7892 1 15 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.653 0.460 25810 7893 1 15 . 1 1 66 66 GLU H H 66 8.187 8.187 8.919 -0.732 25810 7894 1 15 . 1 1 67 67 ASP N N 67 114.662 114.662 117.890 -3.228 25810 7895 1 15 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.795 -0.105 25810 7896 1 15 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.806 -1.046 25810 7897 1 15 . 1 1 67 67 ASP CB C 67 40.354 40.354 41.564 -1.210 25810 7898 1 15 . 1 1 67 67 ASP H H 67 8.111 8.111 8.291 -0.180 25810 7899 1 15 . 1 1 68 68 GLY N N 68 109.084 109.084 108.206 0.878 25810 7900 1 15 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.092 1.044 25810 7901 1 15 . 1 1 68 68 GLY H H 68 7.771 7.771 8.151 -0.380 25810 7902 1 15 . 1 1 69 69 SER N N 69 117.283 117.283 116.622 0.661 25810 7903 1 15 . 1 1 69 69 SER HA H 69 4.217 4.217 4.257 -0.040 25810 7904 1 15 . 1 1 69 69 SER CA C 69 60.270 60.270 59.596 0.674 25810 7905 1 15 . 1 1 69 69 SER CB C 69 64.648 64.648 63.764 0.884 25810 7906 1 15 . 1 1 69 69 SER H H 69 8.632 8.632 8.086 0.546 25810 7907 1 15 . 1 1 70 70 GLY N N 70 116.242 116.242 109.700 6.542 25810 7908 1 15 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.607 -0.119 25810 7909 1 15 . 1 1 70 70 GLY H H 70 10.710 10.710 8.897 1.813 25810 7910 1 15 . 1 1 71 71 THR N N 71 106.843 106.843 115.432 -8.589 25810 7911 1 15 . 1 1 71 71 THR HA H 71 4.941 4.941 4.580 0.361 25810 7912 1 15 . 1 1 71 71 THR CA C 71 58.422 58.422 61.435 -3.013 25810 7913 1 15 . 1 1 71 71 THR CB C 71 73.822 73.822 72.017 1.805 25810 7914 1 15 . 1 1 71 71 THR H H 71 7.551 7.551 7.490 0.061 25810 7915 1 15 . 1 1 72 72 VAL N N 72 127.231 127.231 126.158 1.073 25810 7916 1 15 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.734 0.340 25810 7917 1 15 . 1 1 72 72 VAL CA C 72 61.797 61.797 60.860 0.937 25810 7918 1 15 . 1 1 72 72 VAL CB C 72 33.925 33.925 34.014 -0.089 25810 7919 1 15 . 1 1 72 72 VAL H H 72 9.690 9.690 8.248 1.442 25810 7920 1 15 . 1 1 73 73 ASP N N 73 129.232 129.232 126.246 2.986 25810 7921 1 15 . 1 1 73 73 ASP HA H 73 5.092 5.092 5.057 0.035 25810 7922 1 15 . 1 1 73 73 ASP CA C 73 52.381 52.381 52.197 0.184 25810 7923 1 15 . 1 1 73 73 ASP CB C 73 42.040 42.040 43.830 -1.790 25810 7924 1 15 . 1 1 73 73 ASP H H 73 8.828 8.828 8.048 0.780 25810 7925 1 15 . 1 1 74 74 PHE N N 74 118.313 118.313 120.269 -1.956 25810 7926 1 15 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.250 0.031 25810 7927 1 15 . 1 1 74 74 PHE CA C 74 61.369 61.369 61.470 -0.101 25810 7928 1 15 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.559 0.031 25810 7929 1 15 . 1 1 74 74 PHE H H 74 8.496 8.496 8.751 -0.255 25810 7930 1 15 . 1 1 75 75 ASP N N 75 117.592 117.592 118.605 -1.013 25810 7931 1 15 . 1 1 75 75 ASP HA H 75 3.924 3.924 3.409 0.515 25810 7932 1 15 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.381 0.476 25810 7933 1 15 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.603 0.381 25810 7934 1 15 . 1 1 75 75 ASP H H 75 7.708 7.708 8.485 -0.777 25810 7935 1 15 . 1 1 76 76 GLU N N 76 120.100 120.100 119.588 0.512 25810 7936 1 15 . 1 1 76 76 GLU HA H 76 3.919 3.919 3.972 -0.053 25810 7937 1 15 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.047 -0.637 25810 7938 1 15 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.459 0.768 25810 7939 1 15 . 1 1 76 76 GLU H H 76 8.267 8.267 8.351 -0.084 25810 7940 1 15 . 1 1 77 77 PHE N N 77 122.101 122.101 121.919 0.182 25810 7941 1 15 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.076 -0.385 25810 7942 1 15 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.208 -0.292 25810 7943 1 15 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.095 0.975 25810 7944 1 15 . 1 1 77 77 PHE H H 77 8.760 8.760 8.506 0.254 25810 7945 1 15 . 1 1 78 78 LEU N N 78 120.110 120.110 119.687 0.423 25810 7946 1 15 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.434 -0.207 25810 7947 1 15 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.855 0.260 25810 7948 1 15 . 1 1 78 78 LEU CB C 78 41.610 41.610 40.690 0.920 25810 7949 1 15 . 1 1 78 78 LEU H H 78 8.404 8.404 8.026 0.378 25810 7950 1 15 . 1 1 79 79 VAL N N 79 116.259 116.259 114.526 1.733 25810 7951 1 15 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.260 -0.053 25810 7952 1 15 . 1 1 79 79 VAL CA C 79 66.629 66.629 65.583 1.046 25810 7953 1 15 . 1 1 79 79 VAL CB C 79 31.437 31.437 30.909 0.528 25810 7954 1 15 . 1 1 79 79 VAL H H 79 7.132 7.132 7.276 -0.144 25810 7955 1 15 . 1 1 80 80 MET N N 80 118.429 118.429 120.592 -2.163 25810 7956 1 15 . 1 1 80 80 MET HA H 80 3.810 3.810 3.996 -0.186 25810 7957 1 15 . 1 1 80 80 MET CA C 80 57.828 57.828 57.653 0.175 25810 7958 1 15 . 1 1 80 80 MET CB C 80 31.114 31.114 31.776 -0.662 25810 7959 1 15 . 1 1 80 80 MET H H 80 7.191 7.191 8.425 -1.234 25810 7960 1 15 . 1 1 81 81 MET H H 81 8.104 8.104 7.903 0.201 25810 7961 1 15 . 1 1 86 86 LYS N N 86 118.058 118.058 121.734 -3.676 25810 7962 1 15 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.969 0.331 25810 7963 1 15 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.285 -1.887 25810 7964 1 15 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.659 0.187 25810 7965 1 15 . 1 1 86 86 LYS H H 86 7.750 7.750 8.414 -0.664 25810 7966 1 15 . 1 1 87 87 ASP N N 87 120.199 120.199 118.715 1.484 25810 7967 1 15 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.360 0.298 25810 7968 1 15 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.582 -2.465 25810 7969 1 15 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.729 0.647 25810 7970 1 15 . 1 1 87 87 ASP H H 87 8.102 8.102 7.972 0.130 25810 7971 1 15 . 1 1 88 88 ASP N N 88 121.497 121.497 118.322 3.175 25810 7972 1 15 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.463 0.227 25810 7973 1 15 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.521 -1.855 25810 7974 1 15 . 1 1 88 88 ASP CB C 88 41.157 41.157 41.188 -0.031 25810 7975 1 15 . 1 1 88 88 ASP H H 88 8.363 8.363 7.805 0.558 25810 7976 1 15 . 1 1 89 89 SER N N 89 115.602 115.602 116.601 -0.999 25810 7977 1 15 . 1 1 89 89 SER HA H 89 4.347 4.347 4.299 0.048 25810 7978 1 15 . 1 1 89 89 SER CA C 89 59.571 59.571 61.149 -1.578 25810 7979 1 15 . 1 1 89 89 SER CB C 89 63.999 63.999 63.086 0.913 25810 7980 1 15 . 1 1 89 89 SER H H 89 8.251 8.251 7.766 0.485 25810 7981 1 15 . 1 1 90 90 GLU N N 90 121.265 121.265 121.513 -0.248 25810 7982 1 15 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.043 0.187 25810 7983 1 15 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.773 -1.722 25810 7984 1 15 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.374 0.436 25810 7985 1 15 . 1 1 90 90 GLU H H 90 8.331 8.331 8.235 0.096 25810 7986 1 15 . 1 1 91 91 ASN N N 91 118.544 118.544 116.991 1.553 25810 7987 1 15 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.513 0.142 25810 7988 1 15 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.592 -0.131 25810 7989 1 15 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.169 0.039 25810 7990 1 15 . 1 1 91 91 ASN H H 91 8.131 8.131 7.515 0.616 25810 7991 1 15 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.278 -0.285 25810 7992 1 15 . 1 1 95 95 GLN CA C 95 56.411 56.411 56.510 -0.099 25810 7993 1 15 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.357 -0.075 25810 7994 1 15 . 1 1 96 96 GLY N N 96 109.372 109.372 108.831 0.541 25810 7995 1 15 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.639 1.049 25810 7996 1 15 . 1 1 96 96 GLY H H 96 8.110 8.110 8.122 -0.012 25810 7997 1 15 . 1 1 97 97 ARG N N 97 120.154 120.154 121.904 -1.750 25810 7998 1 15 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.544 -0.077 25810 7999 1 15 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.258 0.308 25810 8000 1 15 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.324 1.181 25810 8001 1 15 . 1 1 97 97 ARG H H 97 7.966 7.966 8.208 -0.242 25810 8002 1 15 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.224 -0.082 25810 8003 1 15 . 1 1 99 99 VAL CA C 99 62.039 62.039 61.552 0.487 25810 8004 1 15 . 1 1 99 99 VAL CB C 99 30.875 30.875 33.991 -3.116 25810 8005 1 15 . 1 1 100 100 ARG N N 100 125.661 125.661 127.077 -1.416 25810 8006 1 15 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.176 0.325 25810 8007 1 15 . 1 1 100 100 ARG CA C 100 55.557 55.557 58.166 -2.609 25810 8008 1 15 . 1 1 100 100 ARG H H 100 8.379 8.379 8.587 -0.208 25810 8009 1 15 . 1 1 102 102 SER HA H 102 4.356 4.356 4.357 -0.001 25810 8010 1 15 . 1 1 102 102 SER CA C 102 57.361 57.361 58.643 -1.282 25810 8011 1 15 . 1 1 102 102 SER CB C 102 65.237 65.237 64.283 0.954 25810 8012 1 15 . 1 1 103 103 ALA N N 103 125.468 125.468 127.364 -1.896 25810 8013 1 15 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.034 -0.023 25810 8014 1 15 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.074 0.911 25810 8015 1 15 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.157 0.436 25810 8016 1 15 . 1 1 103 103 ALA H H 103 9.148 9.148 8.849 0.299 25810 8017 1 15 . 1 1 104 104 ASP N N 104 115.217 115.217 118.858 -3.641 25810 8018 1 15 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.359 -0.051 25810 8019 1 15 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.657 -0.350 25810 8020 1 15 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.080 0.898 25810 8021 1 15 . 1 1 104 104 ASP H H 104 8.517 8.517 8.698 -0.181 25810 8022 1 15 . 1 1 105 105 ALA N N 105 122.884 122.884 122.768 0.116 25810 8023 1 15 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.119 -0.039 25810 8024 1 15 . 1 1 105 105 ALA CA C 105 55.104 55.104 55.001 0.103 25810 8025 1 15 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.421 -0.084 25810 8026 1 15 . 1 1 105 105 ALA H H 105 7.953 7.953 7.545 0.408 25810 8027 1 15 . 1 1 106 106 MET N N 106 118.710 118.710 117.930 0.780 25810 8028 1 15 . 1 1 106 106 MET HA H 106 3.987 3.987 4.135 -0.148 25810 8029 1 15 . 1 1 106 106 MET CA C 106 59.704 59.704 58.157 1.547 25810 8030 1 15 . 1 1 106 106 MET CB C 106 33.450 33.450 31.921 1.529 25810 8031 1 15 . 1 1 106 106 MET H H 106 8.186 8.186 7.708 0.478 25810 8032 1 15 . 1 1 107 107 MET N N 107 116.864 116.864 118.696 -1.832 25810 8033 1 15 . 1 1 107 107 MET HA H 107 4.446 4.446 4.055 0.391 25810 8034 1 15 . 1 1 107 107 MET CA C 107 57.649 57.649 59.506 -1.857 25810 8035 1 15 . 1 1 107 107 MET CB C 107 31.359 31.359 32.270 -0.911 25810 8036 1 15 . 1 1 107 107 MET H H 107 8.483 8.483 8.466 0.017 25810 8037 1 15 . 1 1 108 108 GLN N N 108 117.959 117.959 118.384 -0.425 25810 8038 1 15 . 1 1 108 108 GLN HA H 108 4.009 4.009 4.004 0.005 25810 8039 1 15 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.816 0.170 25810 8040 1 15 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.178 0.342 25810 8041 1 15 . 1 1 108 108 GLN H H 108 8.359 8.359 8.364 -0.005 25810 8042 1 15 . 1 1 109 109 ALA N N 109 121.657 121.657 122.692 -1.035 25810 8043 1 15 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.024 0.115 25810 8044 1 15 . 1 1 109 109 ALA CA C 109 54.765 54.765 55.016 -0.251 25810 8045 1 15 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.379 0.060 25810 8046 1 15 . 1 1 109 109 ALA H H 109 7.855 7.855 8.283 -0.428 25810 8047 1 15 . 1 1 110 110 LEU N N 110 116.183 116.183 118.391 -2.208 25810 8048 1 15 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.063 0.062 25810 8049 1 15 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.357 0.075 25810 8050 1 15 . 1 1 110 110 LEU CB C 110 42.632 42.632 41.696 0.936 25810 8051 1 15 . 1 1 110 110 LEU H H 110 7.933 7.933 7.682 0.251 25810 8052 1 15 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.202 -0.592 25810 8053 1 15 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.534 0.358 25810 8054 1 15 . 1 1 112 112 GLY N N 112 109.198 109.198 105.339 3.859 25810 8055 1 15 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.874 0.193 25810 8056 1 15 . 1 1 112 112 GLY H H 112 7.928 7.928 8.361 -0.433 25810 8057 1 15 . 1 1 113 113 ALA N N 113 124.374 124.374 121.298 3.076 25810 8058 1 15 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.068 0.195 25810 8059 1 15 . 1 1 113 113 ALA CA C 113 53.404 53.404 53.686 -0.282 25810 8060 1 15 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.233 -0.520 25810 8061 1 15 . 1 1 113 113 ALA H H 113 8.211 8.211 8.168 0.043 25810 8062 1 15 . 1 1 114 114 ARG N N 114 117.947 117.947 119.108 -1.161 25810 8063 1 15 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.397 -0.150 25810 8064 1 15 . 1 1 114 114 ARG CA C 114 56.568 56.568 55.459 1.109 25810 8065 1 15 . 1 1 114 114 ARG CB C 114 30.389 30.389 31.131 -0.742 25810 8066 1 15 . 1 1 114 114 ARG H H 114 7.974 7.974 8.159 -0.185 25810 8067 1 15 . 1 1 115 115 ALA N N 115 123.079 123.079 125.510 -2.431 25810 8068 1 15 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.405 -0.189 25810 8069 1 15 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.436 1.347 25810 8070 1 15 . 1 1 115 115 ALA CB C 115 18.915 18.915 20.032 -1.117 25810 8071 1 15 . 1 1 115 115 ALA H H 115 7.969 7.969 8.274 -0.305 25810 8072 1 15 . 1 1 116 116 LYS N N 116 120.562 120.562 119.673 0.889 25810 8073 1 15 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.435 -0.196 25810 8074 1 15 . 1 1 116 116 LYS CA C 116 57.421 57.421 55.910 1.511 25810 8075 1 15 . 1 1 116 116 LYS CB C 116 33.373 33.373 33.190 0.184 25810 8076 1 15 . 1 1 116 116 LYS H H 116 8.310 8.310 8.262 0.048 25810 8077 1 15 . 1 1 117 117 GLU N N 117 121.115 121.115 121.924 -0.809 25810 8078 1 15 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.535 -0.276 25810 8079 1 15 . 1 1 117 117 GLU CA C 117 57.347 57.347 55.875 1.472 25810 8080 1 15 . 1 1 117 117 GLU CB C 117 30.037 30.037 28.350 1.687 25810 8081 1 15 . 1 1 117 117 GLU H H 117 8.646 8.646 8.578 0.068 25810 8082 1 15 . 1 1 118 118 SER N N 118 115.616 115.616 117.095 -1.479 25810 8083 1 15 . 1 1 118 118 SER HA H 118 4.322 4.322 4.265 0.057 25810 8084 1 15 . 1 1 118 118 SER CA C 118 59.082 59.082 60.904 -1.822 25810 8085 1 15 . 1 1 118 118 SER CB C 118 63.624 63.624 63.568 0.056 25810 8086 1 15 . 1 1 118 118 SER H H 118 8.346 8.346 8.706 -0.360 25810 8087 1 15 . 1 1 119 119 LEU N N 119 122.984 122.984 120.581 2.403 25810 8088 1 15 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.355 -0.047 25810 8089 1 15 . 1 1 119 119 LEU CA C 119 55.503 55.503 54.992 0.510 25810 8090 1 15 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.480 -0.218 25810 8091 1 15 . 1 1 119 119 LEU H H 119 7.970 7.970 7.855 0.115 25810 8092 1 15 . 1 1 120 120 ASP N N 120 120.516 120.516 117.350 3.166 25810 8093 1 15 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.230 0.380 25810 8094 1 15 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.249 -0.797 25810 8095 1 15 . 1 1 120 120 ASP CB C 120 41.020 41.020 39.840 1.179 25810 8096 1 15 . 1 1 120 120 ASP H H 120 8.149 8.149 7.768 0.381 25810 8097 1 15 . 1 1 121 121 LEU N N 121 122.598 122.598 119.978 2.620 25810 8098 1 15 . 1 1 121 121 LEU HA H 121 4.275 4.275 3.980 0.295 25810 8099 1 15 . 1 1 121 121 LEU CA C 121 56.021 56.021 56.335 -0.314 25810 8100 1 15 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.098 -0.044 25810 8101 1 15 . 1 1 121 121 LEU H H 121 8.111 8.111 8.426 -0.315 25810 8102 1 15 . 1 1 122 122 ARG N N 122 119.425 119.425 118.996 0.429 25810 8103 1 15 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.009 0.238 25810 8104 1 15 . 1 1 122 122 ARG CA C 122 56.615 56.615 57.164 -0.549 25810 8105 1 15 . 1 1 122 122 ARG CB C 122 30.436 30.436 29.749 0.687 25810 8106 1 15 . 1 1 122 122 ARG H H 122 8.131 8.131 8.764 -0.633 25810 8107 1 15 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.403 0.741 25810 8108 1 15 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.728 -0.605 25810 8109 1 15 . 1 1 124 124 HIS N N 124 117.075 117.075 117.759 -0.684 25810 8110 1 15 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.361 0.736 25810 8111 1 15 . 1 1 124 124 HIS CB C 124 30.425 30.425 31.248 -0.823 25810 8112 1 15 . 1 1 124 124 HIS H H 124 8.185 8.185 8.294 -0.109 25810 8113 1 15 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.824 -0.470 25810 8114 1 15 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.448 0.809 25810 8115 1 15 . 1 1 125 125 LEU CB C 125 42.301 42.301 43.123 -0.822 25810 8116 1 16 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 28.020 2.557 25810 8117 1 16 . 1 1 -7 -7 GLY N N -7 108.818 108.818 108.845 -0.027 25810 8118 1 16 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.839 -0.655 25810 8119 1 16 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.408 -0.078 25810 8120 1 16 . 1 1 0 0 ASP N N 0 115.716 115.716 117.031 -1.315 25810 8121 1 16 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.568 -0.080 25810 8122 1 16 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.394 0.289 25810 8123 1 16 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.966 0.030 25810 8124 1 16 . 1 1 0 0 ASP H H 0 8.155 8.155 8.357 -0.202 25810 8125 1 16 . 1 1 1 1 MET N N 1 121.815 121.815 125.558 -3.743 25810 8126 1 16 . 1 1 1 1 MET HA H 1 4.450 4.450 4.583 -0.133 25810 8127 1 16 . 1 1 1 1 MET CA C 1 55.996 55.996 54.847 1.149 25810 8128 1 16 . 1 1 1 1 MET CB C 1 32.334 32.334 33.462 -1.127 25810 8129 1 16 . 1 1 1 1 MET H H 1 8.553 8.553 8.391 0.162 25810 8130 1 16 . 1 1 2 2 ASP N N 2 119.828 119.828 124.600 -4.772 25810 8131 1 16 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.160 0.321 25810 8132 1 16 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.120 -0.997 25810 8133 1 16 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.763 0.348 25810 8134 1 16 . 1 1 3 3 ASP N N 3 119.912 119.912 120.050 -0.138 25810 8135 1 16 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.437 0.039 25810 8136 1 16 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.804 -0.584 25810 8137 1 16 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.751 0.191 25810 8138 1 16 . 1 1 3 3 ASP H H 3 8.098 8.098 8.593 -0.495 25810 8139 1 16 . 1 1 4 4 ILE N N 4 120.617 120.617 120.263 0.354 25810 8140 1 16 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.679 0.168 25810 8141 1 16 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.639 -0.803 25810 8142 1 16 . 1 1 4 4 ILE CB C 4 37.788 37.788 38.100 -0.312 25810 8143 1 16 . 1 1 4 4 ILE H H 4 7.897 7.897 7.462 0.435 25810 8144 1 16 . 1 1 5 5 TYR N N 5 121.116 121.116 118.966 2.150 25810 8145 1 16 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.989 0.319 25810 8146 1 16 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.582 -1.331 25810 8147 1 16 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.664 -0.075 25810 8148 1 16 . 1 1 5 5 TYR H H 5 7.961 7.961 7.827 0.134 25810 8149 1 16 . 1 1 6 6 LYS N N 6 120.005 120.005 119.558 0.447 25810 8150 1 16 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.925 -0.002 25810 8151 1 16 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.172 0.372 25810 8152 1 16 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.474 -0.119 25810 8153 1 16 . 1 1 6 6 LYS H H 6 8.008 8.008 8.280 -0.272 25810 8154 1 16 . 1 1 7 7 ALA N N 7 120.589 120.589 121.408 -0.819 25810 8155 1 16 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.079 0.075 25810 8156 1 16 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.889 -0.372 25810 8157 1 16 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.059 0.027 25810 8158 1 16 . 1 1 7 7 ALA H H 7 7.816 7.816 8.024 -0.208 25810 8159 1 16 . 1 1 8 8 ALA N N 8 120.065 120.065 120.421 -0.356 25810 8160 1 16 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.952 0.202 25810 8161 1 16 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.704 -0.006 25810 8162 1 16 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.584 -0.101 25810 8163 1 16 . 1 1 8 8 ALA H H 8 7.622 7.622 7.910 -0.288 25810 8164 1 16 . 1 1 9 9 VAL N N 9 118.101 118.101 116.718 1.383 25810 8165 1 16 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.684 -0.125 25810 8166 1 16 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.629 0.405 25810 8167 1 16 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.706 -0.024 25810 8168 1 16 . 1 1 9 9 VAL H H 9 7.974 7.974 7.305 0.669 25810 8169 1 16 . 1 1 10 10 GLU N N 10 118.217 118.217 120.075 -1.858 25810 8170 1 16 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.033 0.094 25810 8171 1 16 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.787 -0.518 25810 8172 1 16 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.535 0.028 25810 8173 1 16 . 1 1 10 10 GLU H H 10 7.682 7.682 7.825 -0.143 25810 8174 1 16 . 1 1 11 11 GLN N N 11 114.903 114.903 116.999 -2.096 25810 8175 1 16 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.276 0.047 25810 8176 1 16 . 1 1 11 11 GLN CA C 11 55.652 55.652 55.332 0.320 25810 8177 1 16 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.117 0.330 25810 8178 1 16 . 1 1 11 11 GLN H H 11 7.404 7.404 7.606 -0.202 25810 8179 1 16 . 1 1 12 12 LEU N N 12 120.467 120.467 118.816 1.651 25810 8180 1 16 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.394 0.188 25810 8181 1 16 . 1 1 12 12 LEU CA C 12 54.997 54.997 55.501 -0.504 25810 8182 1 16 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.688 0.879 25810 8183 1 16 . 1 1 12 12 LEU H H 12 7.354 7.354 7.367 -0.013 25810 8184 1 16 . 1 1 13 13 THR N N 13 113.431 113.431 110.180 3.251 25810 8185 1 16 . 1 1 13 13 THR HA H 13 4.462 4.462 4.535 -0.073 25810 8186 1 16 . 1 1 13 13 THR CA C 13 60.759 60.759 60.688 0.070 25810 8187 1 16 . 1 1 13 13 THR CB C 13 71.101 71.101 70.909 0.192 25810 8188 1 16 . 1 1 13 13 THR H H 13 8.844 8.844 7.981 0.863 25810 8189 1 16 . 1 1 14 14 GLU N N 14 121.790 121.790 123.152 -1.362 25810 8190 1 16 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.040 -0.077 25810 8191 1 16 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.180 -0.306 25810 8192 1 16 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.266 0.052 25810 8193 1 16 . 1 1 14 14 GLU H H 14 9.013 9.013 9.111 -0.098 25810 8194 1 16 . 1 1 15 15 GLU N N 15 117.495 117.495 118.577 -1.082 25810 8195 1 16 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.098 -0.038 25810 8196 1 16 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.749 0.583 25810 8197 1 16 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.058 0.118 25810 8198 1 16 . 1 1 15 15 GLU H H 15 8.653 8.653 8.735 -0.082 25810 8199 1 16 . 1 1 16 16 GLN N N 16 119.205 119.205 118.099 1.106 25810 8200 1 16 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.197 -0.340 25810 8201 1 16 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.256 0.692 25810 8202 1 16 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.411 1.320 25810 8203 1 16 . 1 1 16 16 GLN H H 16 7.839 7.839 7.681 0.158 25810 8204 1 16 . 1 1 17 17 LYS N N 17 119.027 119.027 121.214 -2.187 25810 8205 1 16 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.193 -0.169 25810 8206 1 16 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.828 1.860 25810 8207 1 16 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.411 -0.355 25810 8208 1 16 . 1 1 17 17 LYS H H 17 8.539 8.539 8.064 0.475 25810 8209 1 16 . 1 1 18 18 ASN N N 18 117.428 117.428 118.504 -1.076 25810 8210 1 16 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.440 0.122 25810 8211 1 16 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.861 -0.688 25810 8212 1 16 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.367 -0.563 25810 8213 1 16 . 1 1 18 18 ASN H H 18 8.552 8.552 8.567 -0.015 25810 8214 1 16 . 1 1 19 19 GLU N N 19 123.611 123.611 120.695 2.916 25810 8215 1 16 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.127 0.078 25810 8216 1 16 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.447 0.351 25810 8217 1 16 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.454 -0.048 25810 8218 1 16 . 1 1 19 19 GLU H H 19 8.012 8.012 7.867 0.145 25810 8219 1 16 . 1 1 20 20 PHE N N 20 117.357 117.357 121.190 -3.833 25810 8220 1 16 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.176 0.678 25810 8221 1 16 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.983 -0.250 25810 8222 1 16 . 1 1 20 20 PHE CB C 20 38.322 38.322 39.260 -0.938 25810 8223 1 16 . 1 1 20 20 PHE H H 20 8.320 8.320 8.504 -0.184 25810 8224 1 16 . 1 1 21 21 LYS N N 21 122.064 122.064 119.887 2.177 25810 8225 1 16 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.748 0.277 25810 8226 1 16 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.711 -1.037 25810 8227 1 16 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.315 -0.631 25810 8228 1 16 . 1 1 21 21 LYS H H 21 8.864 8.864 8.477 0.387 25810 8229 1 16 . 1 1 22 22 ALA N N 22 121.827 121.827 120.535 1.292 25810 8230 1 16 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.164 0.049 25810 8231 1 16 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.507 -0.776 25810 8232 1 16 . 1 1 22 22 ALA H H 22 8.009 8.009 7.527 0.482 25810 8233 1 16 . 1 1 23 23 ALA N N 23 119.945 119.945 121.523 -1.578 25810 8234 1 16 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.101 0.028 25810 8235 1 16 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.385 0.954 25810 8236 1 16 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.193 0.793 25810 8237 1 16 . 1 1 23 23 ALA H H 23 8.178 8.178 7.905 0.273 25810 8238 1 16 . 1 1 24 24 PHE N N 24 121.275 121.275 118.955 2.320 25810 8239 1 16 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.635 -0.097 25810 8240 1 16 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.354 1.059 25810 8241 1 16 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.848 0.893 25810 8242 1 16 . 1 1 24 24 PHE H H 24 8.925 8.925 8.342 0.583 25810 8243 1 16 . 1 1 25 25 ASP N N 25 117.407 117.407 118.575 -1.168 25810 8244 1 16 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.258 0.006 25810 8245 1 16 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.650 -0.636 25810 8246 1 16 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.364 -0.467 25810 8247 1 16 . 1 1 25 25 ASP H H 25 8.714 8.714 7.811 0.903 25810 8248 1 16 . 1 1 26 26 ILE N N 26 119.320 119.320 118.880 0.440 25810 8249 1 16 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.703 0.114 25810 8250 1 16 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.040 -0.626 25810 8251 1 16 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.974 -0.532 25810 8252 1 16 . 1 1 26 26 ILE H H 26 7.337 7.337 7.073 0.264 25810 8253 1 16 . 1 1 27 27 PHE N N 27 123.734 123.734 118.862 4.872 25810 8254 1 16 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.585 -1.009 25810 8255 1 16 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.498 1.121 25810 8256 1 16 . 1 1 27 27 PHE H H 27 8.139 8.139 8.313 -0.174 25810 8257 1 16 . 1 1 28 28 VAL N N 28 105.007 105.007 109.380 -4.373 25810 8258 1 16 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.205 -0.122 25810 8259 1 16 . 1 1 28 28 VAL CA C 28 61.156 61.156 60.268 0.888 25810 8260 1 16 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.755 -0.362 25810 8261 1 16 . 1 1 28 28 VAL H H 28 7.505 7.505 7.326 0.179 25810 8262 1 16 . 1 1 29 29 LEU N N 29 126.175 126.175 125.466 0.709 25810 8263 1 16 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.124 -0.029 25810 8264 1 16 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.165 1.331 25810 8265 1 16 . 1 1 29 29 LEU CB C 29 41.575 41.575 40.148 1.427 25810 8266 1 16 . 1 1 29 29 LEU H H 29 7.274 7.274 7.520 -0.246 25810 8267 1 16 . 1 1 30 30 GLY N N 30 113.173 113.173 112.209 0.964 25810 8268 1 16 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.118 0.422 25810 8269 1 16 . 1 1 30 30 GLY H H 30 8.950 8.950 8.346 0.604 25810 8270 1 16 . 1 1 31 31 ALA N N 31 124.109 124.109 124.267 -0.158 25810 8271 1 16 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.425 0.032 25810 8272 1 16 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.035 1.193 25810 8273 1 16 . 1 1 31 31 ALA CB C 31 19.922 19.922 18.713 1.209 25810 8274 1 16 . 1 1 31 31 ALA H H 31 8.131 8.131 7.674 0.457 25810 8275 1 16 . 1 1 32 32 GLU N N 32 124.956 124.956 124.545 0.411 25810 8276 1 16 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.076 0.024 25810 8277 1 16 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.245 0.848 25810 8278 1 16 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.476 0.410 25810 8279 1 16 . 1 1 32 32 GLU H H 32 9.204 9.204 8.560 0.644 25810 8280 1 16 . 1 1 33 33 ASP N N 33 115.544 115.544 117.869 -2.325 25810 8281 1 16 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.516 0.249 25810 8282 1 16 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.396 -1.325 25810 8283 1 16 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.021 0.362 25810 8284 1 16 . 1 1 33 33 ASP H H 33 8.156 8.156 8.129 0.027 25810 8285 1 16 . 1 1 34 34 GLY N N 34 105.580 105.580 107.334 -1.754 25810 8286 1 16 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.794 0.945 25810 8287 1 16 . 1 1 34 34 GLY H H 34 7.582 7.582 7.731 -0.149 25810 8288 1 16 . 1 1 35 35 SER N N 35 113.292 113.292 114.054 -0.762 25810 8289 1 16 . 1 1 35 35 SER HA H 35 4.960 4.960 4.717 0.243 25810 8290 1 16 . 1 1 35 35 SER CA C 35 57.390 57.390 57.177 0.213 25810 8291 1 16 . 1 1 35 35 SER CB C 35 66.240 66.240 66.511 -0.271 25810 8292 1 16 . 1 1 35 35 SER H H 35 7.584 7.584 7.518 0.066 25810 8293 1 16 . 1 1 36 36 ILE N N 36 119.513 119.513 124.490 -4.977 25810 8294 1 16 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.253 -0.490 25810 8295 1 16 . 1 1 36 36 ILE CA C 36 63.288 63.288 61.734 1.554 25810 8296 1 16 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.717 1.888 25810 8297 1 16 . 1 1 36 36 ILE H H 36 9.028 9.028 8.158 0.871 25810 8298 1 16 . 1 1 37 37 SER N N 37 126.146 126.146 122.679 3.467 25810 8299 1 16 . 1 1 37 37 SER HA H 37 5.198 5.198 4.926 0.272 25810 8300 1 16 . 1 1 37 37 SER CA C 37 57.010 57.010 56.331 0.679 25810 8301 1 16 . 1 1 37 37 SER CB C 37 67.563 67.563 65.701 1.862 25810 8302 1 16 . 1 1 37 37 SER H H 37 9.571 9.571 8.272 1.299 25810 8303 1 16 . 1 1 38 38 THR N N 38 111.059 111.059 113.591 -2.532 25810 8304 1 16 . 1 1 38 38 THR HA H 38 4.514 4.514 4.045 0.469 25810 8305 1 16 . 1 1 38 38 THR CA C 38 66.653 66.653 65.847 0.806 25810 8306 1 16 . 1 1 38 38 THR CB C 38 68.362 68.362 68.269 0.093 25810 8307 1 16 . 1 1 38 38 THR H H 38 8.794 8.794 8.883 -0.089 25810 8308 1 16 . 1 1 39 39 LYS N N 39 123.369 123.369 121.635 1.734 25810 8309 1 16 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.034 0.022 25810 8310 1 16 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.512 0.254 25810 8311 1 16 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.087 0.116 25810 8312 1 16 . 1 1 39 39 LYS H H 39 8.044 8.044 7.644 0.400 25810 8313 1 16 . 1 1 40 40 GLU N N 40 119.970 119.970 120.353 -0.383 25810 8314 1 16 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.046 0.128 25810 8315 1 16 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.052 2.220 25810 8316 1 16 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.230 0.962 25810 8317 1 16 . 1 1 40 40 GLU H H 40 7.714 7.714 7.499 0.215 25810 8318 1 16 . 1 1 41 41 LEU N N 41 119.088 119.088 119.947 -0.859 25810 8319 1 16 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.224 0.025 25810 8320 1 16 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.733 0.138 25810 8321 1 16 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.292 0.944 25810 8322 1 16 . 1 1 41 41 LEU H H 41 8.375 8.375 8.120 0.255 25810 8323 1 16 . 1 1 42 42 GLY N N 42 106.311 106.311 106.996 -0.685 25810 8324 1 16 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.331 0.899 25810 8325 1 16 . 1 1 42 42 GLY H H 42 8.581 8.581 8.655 -0.074 25810 8326 1 16 . 1 1 43 43 LYS N N 43 120.717 120.717 122.592 -1.875 25810 8327 1 16 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.083 -0.112 25810 8328 1 16 . 1 1 43 43 LYS CA C 43 60.040 60.040 58.846 1.194 25810 8329 1 16 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.136 0.257 25810 8330 1 16 . 1 1 43 43 LYS H H 43 7.293 7.293 7.735 -0.442 25810 8331 1 16 . 1 1 44 44 VAL N N 44 119.884 119.884 119.474 0.410 25810 8332 1 16 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.628 0.013 25810 8333 1 16 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.755 -0.311 25810 8334 1 16 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.252 0.804 25810 8335 1 16 . 1 1 44 44 VAL H H 44 7.560 7.560 7.735 -0.175 25810 8336 1 16 . 1 1 45 45 MET N N 45 117.256 117.256 117.547 -0.291 25810 8337 1 16 . 1 1 45 45 MET HA H 45 4.179 4.179 4.148 0.031 25810 8338 1 16 . 1 1 45 45 MET CA C 45 57.934 57.934 57.200 0.733 25810 8339 1 16 . 1 1 45 45 MET CB C 45 31.407 31.407 30.943 0.464 25810 8340 1 16 . 1 1 45 45 MET H H 45 8.575 8.575 8.178 0.397 25810 8341 1 16 . 1 1 46 46 ARG N N 46 118.652 118.652 121.204 -2.552 25810 8342 1 16 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.218 0.376 25810 8343 1 16 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.483 -0.060 25810 8344 1 16 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.202 -0.342 25810 8345 1 16 . 1 1 46 46 ARG H H 46 8.080 8.080 8.181 -0.101 25810 8346 1 16 . 1 1 47 47 MET N N 47 122.632 122.632 117.923 4.709 25810 8347 1 16 . 1 1 47 47 MET HA H 47 4.179 4.179 4.135 0.044 25810 8348 1 16 . 1 1 47 47 MET CA C 47 59.178 59.178 58.407 0.770 25810 8349 1 16 . 1 1 47 47 MET CB C 47 32.669 32.669 32.711 -0.042 25810 8350 1 16 . 1 1 47 47 MET H H 47 7.864 7.864 7.634 0.230 25810 8351 1 16 . 1 1 48 48 LEU N N 48 117.884 117.884 116.633 1.251 25810 8352 1 16 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.039 0.323 25810 8353 1 16 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.987 -1.449 25810 8354 1 16 . 1 1 48 48 LEU CB C 48 41.818 41.818 41.927 -0.109 25810 8355 1 16 . 1 1 48 48 LEU H H 48 7.485 7.485 7.598 -0.113 25810 8356 1 16 . 1 1 49 49 GLY N N 49 107.912 107.912 104.670 3.242 25810 8357 1 16 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.811 1.152 25810 8358 1 16 . 1 1 49 49 GLY H H 49 7.884 7.884 7.520 0.364 25810 8359 1 16 . 1 1 50 50 GLN N N 50 117.606 117.606 120.137 -2.531 25810 8360 1 16 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.527 -0.026 25810 8361 1 16 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.509 -1.117 25810 8362 1 16 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.474 -0.701 25810 8363 1 16 . 1 1 50 50 GLN H H 50 8.096 8.096 8.002 0.094 25810 8364 1 16 . 1 1 51 51 ASN N N 51 116.663 116.663 121.214 -4.551 25810 8365 1 16 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.159 -0.037 25810 8366 1 16 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.788 0.442 25810 8367 1 16 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.785 0.361 25810 8368 1 16 . 1 1 51 51 ASN H H 51 8.693 8.693 8.685 0.008 25810 8369 1 16 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.529 0.160 25810 8370 1 16 . 1 1 53 53 THR N N 53 113.865 113.865 113.934 -0.069 25810 8371 1 16 . 1 1 53 53 THR H H 53 8.985 8.985 8.483 0.502 25810 8372 1 16 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.199 -0.013 25810 8373 1 16 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.382 0.881 25810 8374 1 16 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.786 0.104 25810 8375 1 16 . 1 1 55 55 GLU N N 55 117.475 117.475 118.522 -1.047 25810 8376 1 16 . 1 1 55 55 GLU HA H 55 4.044 4.044 3.981 0.063 25810 8377 1 16 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.952 0.663 25810 8378 1 16 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.427 -0.692 25810 8379 1 16 . 1 1 55 55 GLU H H 55 8.785 8.785 8.896 -0.111 25810 8380 1 16 . 1 1 56 56 GLU N N 56 121.699 121.699 119.388 2.311 25810 8381 1 16 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.342 -0.318 25810 8382 1 16 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.757 0.498 25810 8383 1 16 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.524 0.572 25810 8384 1 16 . 1 1 56 56 GLU H H 56 7.815 7.815 7.581 0.234 25810 8385 1 16 . 1 1 57 57 LEU N N 57 118.421 118.421 121.860 -3.439 25810 8386 1 16 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.010 0.003 25810 8387 1 16 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.875 -1.313 25810 8388 1 16 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.777 0.955 25810 8389 1 16 . 1 1 57 57 LEU H H 57 8.246 8.246 7.827 0.419 25810 8390 1 16 . 1 1 58 58 GLN N N 58 118.349 118.349 119.233 -0.884 25810 8391 1 16 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.978 -0.281 25810 8392 1 16 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.200 -0.863 25810 8393 1 16 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.521 0.047 25810 8394 1 16 . 1 1 58 58 GLN H H 58 8.003 8.003 8.549 -0.546 25810 8395 1 16 . 1 1 59 59 GLU N N 59 119.049 119.049 120.177 -1.128 25810 8396 1 16 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.015 0.082 25810 8397 1 16 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.171 0.470 25810 8398 1 16 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.414 0.207 25810 8399 1 16 . 1 1 59 59 GLU H H 59 7.979 7.979 7.805 0.174 25810 8400 1 16 . 1 1 60 60 MET N N 60 117.492 117.492 120.188 -2.696 25810 8401 1 16 . 1 1 60 60 MET HA H 60 4.083 4.083 4.125 -0.042 25810 8402 1 16 . 1 1 60 60 MET CA C 60 59.764 59.764 59.353 0.411 25810 8403 1 16 . 1 1 60 60 MET CB C 60 34.533 34.533 32.773 1.760 25810 8404 1 16 . 1 1 60 60 MET H H 60 7.776 7.776 8.183 -0.407 25810 8405 1 16 . 1 1 61 61 ILE N N 61 118.035 118.035 119.692 -1.657 25810 8406 1 16 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.580 0.137 25810 8407 1 16 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.201 -2.088 25810 8408 1 16 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.715 -1.425 25810 8409 1 16 . 1 1 61 61 ILE H H 61 7.564 7.564 7.931 -0.367 25810 8410 1 16 . 1 1 62 62 ASP N N 62 119.355 119.355 119.679 -0.324 25810 8411 1 16 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.300 0.047 25810 8412 1 16 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.534 0.142 25810 8413 1 16 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.826 -0.474 25810 8414 1 16 . 1 1 62 62 ASP H H 62 8.801 8.801 8.254 0.547 25810 8415 1 16 . 1 1 63 63 GLU N N 63 116.439 116.439 118.858 -2.419 25810 8416 1 16 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.107 -0.044 25810 8417 1 16 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.745 0.076 25810 8418 1 16 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.831 0.293 25810 8419 1 16 . 1 1 63 63 GLU H H 63 7.702 7.702 7.831 -0.129 25810 8420 1 16 . 1 1 64 64 VAL N N 64 112.796 112.796 116.914 -4.118 25810 8421 1 16 . 1 1 64 64 VAL HA H 64 4.194 4.194 4.022 0.172 25810 8422 1 16 . 1 1 64 64 VAL CA C 64 61.611 61.611 63.745 -2.134 25810 8423 1 16 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.352 0.312 25810 8424 1 16 . 1 1 64 64 VAL H H 64 7.151 7.151 7.424 -0.273 25810 8425 1 16 . 1 1 65 65 ASP N N 65 121.138 121.138 119.567 1.571 25810 8426 1 16 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.747 -0.237 25810 8427 1 16 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.145 -1.580 25810 8428 1 16 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.871 -0.854 25810 8429 1 16 . 1 1 65 65 ASP H H 65 7.866 7.866 7.631 0.235 25810 8430 1 16 . 1 1 66 66 GLU N N 66 128.324 128.324 126.404 1.920 25810 8431 1 16 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.062 0.132 25810 8432 1 16 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.166 0.286 25810 8433 1 16 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.580 0.533 25810 8434 1 16 . 1 1 66 66 GLU H H 66 8.187 8.187 8.998 -0.811 25810 8435 1 16 . 1 1 67 67 ASP N N 67 114.662 114.662 115.651 -0.989 25810 8436 1 16 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.717 -0.027 25810 8437 1 16 . 1 1 67 67 ASP CA C 67 52.760 52.760 52.945 -0.185 25810 8438 1 16 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.880 -0.526 25810 8439 1 16 . 1 1 67 67 ASP H H 67 8.111 8.111 8.338 -0.227 25810 8440 1 16 . 1 1 68 68 GLY N N 68 109.084 109.084 108.229 0.855 25810 8441 1 16 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.234 0.902 25810 8442 1 16 . 1 1 68 68 GLY H H 68 7.771 7.771 8.459 -0.688 25810 8443 1 16 . 1 1 69 69 SER N N 69 117.283 117.283 116.921 0.362 25810 8444 1 16 . 1 1 69 69 SER HA H 69 4.217 4.217 4.205 0.012 25810 8445 1 16 . 1 1 69 69 SER CA C 69 60.270 60.270 58.800 1.470 25810 8446 1 16 . 1 1 69 69 SER CB C 69 64.648 64.648 64.117 0.531 25810 8447 1 16 . 1 1 69 69 SER H H 69 8.632 8.632 8.209 0.423 25810 8448 1 16 . 1 1 70 70 GLY N N 70 116.242 116.242 111.669 4.573 25810 8449 1 16 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.637 -0.149 25810 8450 1 16 . 1 1 70 70 GLY H H 70 10.710 10.710 9.433 1.277 25810 8451 1 16 . 1 1 71 71 THR N N 71 106.843 106.843 110.741 -3.898 25810 8452 1 16 . 1 1 71 71 THR HA H 71 4.941 4.941 4.676 0.265 25810 8453 1 16 . 1 1 71 71 THR CA C 71 58.422 58.422 59.914 -1.492 25810 8454 1 16 . 1 1 71 71 THR CB C 71 73.822 73.822 72.713 1.109 25810 8455 1 16 . 1 1 71 71 THR H H 71 7.551 7.551 7.481 0.070 25810 8456 1 16 . 1 1 72 72 VAL N N 72 127.231 127.231 121.681 5.550 25810 8457 1 16 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.585 0.489 25810 8458 1 16 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.875 -0.078 25810 8459 1 16 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.973 -0.048 25810 8460 1 16 . 1 1 72 72 VAL H H 72 9.690 9.690 8.404 1.286 25810 8461 1 16 . 1 1 73 73 ASP N N 73 129.232 129.232 126.532 2.700 25810 8462 1 16 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.965 0.127 25810 8463 1 16 . 1 1 73 73 ASP CA C 73 52.381 52.381 51.828 0.554 25810 8464 1 16 . 1 1 73 73 ASP CB C 73 42.040 42.040 44.000 -1.960 25810 8465 1 16 . 1 1 73 73 ASP H H 73 8.828 8.828 8.058 0.770 25810 8466 1 16 . 1 1 74 74 PHE N N 74 118.313 118.313 119.658 -1.345 25810 8467 1 16 . 1 1 74 74 PHE HA H 74 3.281 3.281 4.440 -1.159 25810 8468 1 16 . 1 1 74 74 PHE CA C 74 61.369 61.369 63.236 -1.867 25810 8469 1 16 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.149 -0.559 25810 8470 1 16 . 1 1 74 74 PHE H H 74 8.496 8.496 8.966 -0.470 25810 8471 1 16 . 1 1 75 75 ASP N N 75 117.592 117.592 118.909 -1.317 25810 8472 1 16 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.501 -0.577 25810 8473 1 16 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.816 0.041 25810 8474 1 16 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.854 0.130 25810 8475 1 16 . 1 1 75 75 ASP H H 75 7.708 7.708 8.826 -1.118 25810 8476 1 16 . 1 1 76 76 GLU N N 76 120.100 120.100 119.195 0.905 25810 8477 1 16 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.131 -0.212 25810 8478 1 16 . 1 1 76 76 GLU CA C 76 58.410 58.410 58.875 -0.465 25810 8479 1 16 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.490 0.737 25810 8480 1 16 . 1 1 76 76 GLU H H 76 8.267 8.267 8.609 -0.342 25810 8481 1 16 . 1 1 77 77 PHE N N 77 122.101 122.101 121.598 0.503 25810 8482 1 16 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.131 -0.440 25810 8483 1 16 . 1 1 77 77 PHE CA C 77 60.916 60.916 60.348 0.568 25810 8484 1 16 . 1 1 77 77 PHE CB C 77 40.070 40.070 38.499 1.571 25810 8485 1 16 . 1 1 77 77 PHE H H 77 8.760 8.760 8.414 0.346 25810 8486 1 16 . 1 1 78 78 LEU N N 78 120.110 120.110 118.977 1.133 25810 8487 1 16 . 1 1 78 78 LEU HA H 78 3.227 3.227 2.773 0.454 25810 8488 1 16 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.632 0.483 25810 8489 1 16 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.429 0.181 25810 8490 1 16 . 1 1 78 78 LEU H H 78 8.404 8.404 7.436 0.968 25810 8491 1 16 . 1 1 79 79 VAL N N 79 116.259 116.259 116.067 0.192 25810 8492 1 16 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.410 -0.203 25810 8493 1 16 . 1 1 79 79 VAL CA C 79 66.629 66.629 65.513 1.116 25810 8494 1 16 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.383 0.055 25810 8495 1 16 . 1 1 79 79 VAL H H 79 7.132 7.132 7.067 0.065 25810 8496 1 16 . 1 1 80 80 MET N N 80 118.429 118.429 119.933 -1.504 25810 8497 1 16 . 1 1 80 80 MET HA H 80 3.810 3.810 4.012 -0.202 25810 8498 1 16 . 1 1 80 80 MET CA C 80 57.828 57.828 58.460 -0.632 25810 8499 1 16 . 1 1 80 80 MET CB C 80 31.114 31.114 32.607 -1.493 25810 8500 1 16 . 1 1 80 80 MET H H 80 7.191 7.191 7.540 -0.349 25810 8501 1 16 . 1 1 81 81 MET H H 81 8.104 8.104 7.841 0.263 25810 8502 1 16 . 1 1 86 86 LYS N N 86 118.058 118.058 122.272 -4.214 25810 8503 1 16 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.990 0.310 25810 8504 1 16 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.563 -2.165 25810 8505 1 16 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.687 0.159 25810 8506 1 16 . 1 1 86 86 LYS H H 86 7.750 7.750 8.276 -0.526 25810 8507 1 16 . 1 1 87 87 ASP N N 87 120.199 120.199 119.314 0.885 25810 8508 1 16 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.414 0.244 25810 8509 1 16 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.524 -2.407 25810 8510 1 16 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.075 1.301 25810 8511 1 16 . 1 1 87 87 ASP H H 87 8.102 8.102 8.127 -0.025 25810 8512 1 16 . 1 1 88 88 ASP N N 88 121.497 121.497 119.307 2.190 25810 8513 1 16 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.417 0.273 25810 8514 1 16 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.489 -2.823 25810 8515 1 16 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.082 1.075 25810 8516 1 16 . 1 1 88 88 ASP H H 88 8.363 8.363 8.575 -0.212 25810 8517 1 16 . 1 1 89 89 SER N N 89 115.602 115.602 116.102 -0.500 25810 8518 1 16 . 1 1 89 89 SER HA H 89 4.347 4.347 4.188 0.159 25810 8519 1 16 . 1 1 89 89 SER CA C 89 59.571 59.571 61.669 -2.098 25810 8520 1 16 . 1 1 89 89 SER CB C 89 63.999 63.999 63.223 0.776 25810 8521 1 16 . 1 1 89 89 SER H H 89 8.251 8.251 7.919 0.332 25810 8522 1 16 . 1 1 90 90 GLU N N 90 121.265 121.265 120.667 0.598 25810 8523 1 16 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.180 0.050 25810 8524 1 16 . 1 1 90 90 GLU CA C 90 57.052 57.052 59.295 -2.243 25810 8525 1 16 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.605 0.205 25810 8526 1 16 . 1 1 90 90 GLU H H 90 8.331 8.331 7.780 0.551 25810 8527 1 16 . 1 1 91 91 ASN N N 91 118.544 118.544 118.619 -0.075 25810 8528 1 16 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.757 -0.102 25810 8529 1 16 . 1 1 91 91 ASN CA C 91 53.461 53.461 55.445 -1.984 25810 8530 1 16 . 1 1 91 91 ASN CB C 91 39.208 39.208 38.236 0.972 25810 8531 1 16 . 1 1 91 91 ASN H H 91 8.131 8.131 8.282 -0.151 25810 8532 1 16 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.025 -0.032 25810 8533 1 16 . 1 1 95 95 GLN CA C 95 56.411 56.411 56.332 0.079 25810 8534 1 16 . 1 1 95 95 GLN CB C 95 29.282 29.282 28.619 0.663 25810 8535 1 16 . 1 1 96 96 GLY N N 96 109.372 109.372 107.352 2.020 25810 8536 1 16 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.880 0.808 25810 8537 1 16 . 1 1 96 96 GLY H H 96 8.110 8.110 8.254 -0.144 25810 8538 1 16 . 1 1 97 97 ARG N N 97 120.154 120.154 118.826 1.328 25810 8539 1 16 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.297 0.170 25810 8540 1 16 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.894 -0.327 25810 8541 1 16 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.508 0.997 25810 8542 1 16 . 1 1 97 97 ARG H H 97 7.966 7.966 8.418 -0.452 25810 8543 1 16 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.203 -0.061 25810 8544 1 16 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.154 -0.115 25810 8545 1 16 . 1 1 99 99 VAL CB C 99 30.875 30.875 31.685 -0.810 25810 8546 1 16 . 1 1 100 100 ARG N N 100 125.661 125.661 119.964 5.697 25810 8547 1 16 . 1 1 100 100 ARG HA H 100 4.501 4.501 3.990 0.511 25810 8548 1 16 . 1 1 100 100 ARG CA C 100 55.557 55.557 58.193 -2.635 25810 8549 1 16 . 1 1 100 100 ARG H H 100 8.379 8.379 8.441 -0.062 25810 8550 1 16 . 1 1 102 102 SER HA H 102 4.356 4.356 4.618 -0.262 25810 8551 1 16 . 1 1 102 102 SER CA C 102 57.361 57.361 57.747 -0.386 25810 8552 1 16 . 1 1 102 102 SER CB C 102 65.237 65.237 64.964 0.273 25810 8553 1 16 . 1 1 103 103 ALA N N 103 125.468 125.468 126.070 -0.602 25810 8554 1 16 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.015 -0.004 25810 8555 1 16 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.467 0.518 25810 8556 1 16 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.217 0.376 25810 8557 1 16 . 1 1 103 103 ALA H H 103 9.148 9.148 9.115 0.033 25810 8558 1 16 . 1 1 104 104 ASP N N 104 115.217 115.217 119.290 -4.073 25810 8559 1 16 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.418 -0.110 25810 8560 1 16 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.117 0.190 25810 8561 1 16 . 1 1 104 104 ASP CB C 104 40.978 40.978 39.941 1.036 25810 8562 1 16 . 1 1 104 104 ASP H H 104 8.517 8.517 8.695 -0.178 25810 8563 1 16 . 1 1 105 105 ALA N N 105 122.884 122.884 123.380 -0.496 25810 8564 1 16 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.103 -0.023 25810 8565 1 16 . 1 1 105 105 ALA CA C 105 55.104 55.104 55.042 0.062 25810 8566 1 16 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.621 -0.284 25810 8567 1 16 . 1 1 105 105 ALA H H 105 7.953 7.953 8.106 -0.153 25810 8568 1 16 . 1 1 106 106 MET N N 106 118.710 118.710 119.385 -0.675 25810 8569 1 16 . 1 1 106 106 MET HA H 106 3.987 3.987 4.160 -0.173 25810 8570 1 16 . 1 1 106 106 MET CA C 106 59.704 59.704 58.069 1.635 25810 8571 1 16 . 1 1 106 106 MET CB C 106 33.450 33.450 32.278 1.172 25810 8572 1 16 . 1 1 106 106 MET H H 106 8.186 8.186 8.074 0.112 25810 8573 1 16 . 1 1 107 107 MET N N 107 116.864 116.864 119.381 -2.517 25810 8574 1 16 . 1 1 107 107 MET HA H 107 4.446 4.446 3.977 0.469 25810 8575 1 16 . 1 1 107 107 MET CA C 107 57.649 57.649 59.674 -2.025 25810 8576 1 16 . 1 1 107 107 MET CB C 107 31.359 31.359 32.178 -0.819 25810 8577 1 16 . 1 1 107 107 MET H H 107 8.483 8.483 8.195 0.288 25810 8578 1 16 . 1 1 108 108 GLN N N 108 117.959 117.959 119.169 -1.210 25810 8579 1 16 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.916 0.093 25810 8580 1 16 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.188 -0.202 25810 8581 1 16 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.816 -0.295 25810 8582 1 16 . 1 1 108 108 GLN H H 108 8.359 8.359 7.925 0.434 25810 8583 1 16 . 1 1 109 109 ALA N N 109 121.657 121.657 122.828 -1.171 25810 8584 1 16 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.069 0.070 25810 8585 1 16 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.962 -0.196 25810 8586 1 16 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.490 -0.051 25810 8587 1 16 . 1 1 109 109 ALA H H 109 7.855 7.855 8.067 -0.212 25810 8588 1 16 . 1 1 110 110 LEU N N 110 116.183 116.183 118.596 -2.413 25810 8589 1 16 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.034 0.091 25810 8590 1 16 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.338 0.094 25810 8591 1 16 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.059 0.572 25810 8592 1 16 . 1 1 110 110 LEU H H 110 7.933 7.933 8.004 -0.071 25810 8593 1 16 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.798 -1.188 25810 8594 1 16 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.385 0.507 25810 8595 1 16 . 1 1 112 112 GLY N N 112 109.198 109.198 107.335 1.863 25810 8596 1 16 . 1 1 112 112 GLY CA C 112 46.067 46.067 46.267 -0.200 25810 8597 1 16 . 1 1 112 112 GLY H H 112 7.928 7.928 8.494 -0.566 25810 8598 1 16 . 1 1 113 113 ALA N N 113 124.374 124.374 125.574 -1.200 25810 8599 1 16 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.256 0.007 25810 8600 1 16 . 1 1 113 113 ALA CA C 113 53.404 53.404 51.948 1.456 25810 8601 1 16 . 1 1 113 113 ALA CB C 113 18.713 18.713 19.418 -0.705 25810 8602 1 16 . 1 1 113 113 ALA H H 113 8.211 8.211 8.229 -0.018 25810 8603 1 16 . 1 1 114 114 ARG N N 114 117.947 117.947 120.766 -2.819 25810 8604 1 16 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.116 0.131 25810 8605 1 16 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.435 0.133 25810 8606 1 16 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.896 -0.507 25810 8607 1 16 . 1 1 114 114 ARG H H 114 7.974 7.974 8.388 -0.414 25810 8608 1 16 . 1 1 115 115 ALA N N 115 123.079 123.079 124.074 -0.995 25810 8609 1 16 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.372 -0.157 25810 8610 1 16 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.657 1.126 25810 8611 1 16 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.540 -0.625 25810 8612 1 16 . 1 1 115 115 ALA H H 115 7.969 7.969 8.287 -0.318 25810 8613 1 16 . 1 1 116 116 LYS N N 116 120.562 120.562 120.385 0.177 25810 8614 1 16 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.116 0.123 25810 8615 1 16 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.967 0.454 25810 8616 1 16 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.311 1.062 25810 8617 1 16 . 1 1 116 116 LYS H H 116 8.310 8.310 8.321 -0.011 25810 8618 1 16 . 1 1 117 117 GLU N N 117 121.115 121.115 123.030 -1.915 25810 8619 1 16 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.495 -0.236 25810 8620 1 16 . 1 1 117 117 GLU CA C 117 57.347 57.347 56.257 1.090 25810 8621 1 16 . 1 1 117 117 GLU CB C 117 30.037 30.037 30.082 -0.045 25810 8622 1 16 . 1 1 117 117 GLU H H 117 8.646 8.646 8.878 -0.232 25810 8623 1 16 . 1 1 118 118 SER N N 118 115.616 115.616 120.147 -4.531 25810 8624 1 16 . 1 1 118 118 SER HA H 118 4.322 4.322 4.169 0.153 25810 8625 1 16 . 1 1 118 118 SER CA C 118 59.082 59.082 61.377 -2.295 25810 8626 1 16 . 1 1 118 118 SER CB C 118 63.624 63.624 63.406 0.218 25810 8627 1 16 . 1 1 118 118 SER H H 118 8.346 8.346 8.922 -0.576 25810 8628 1 16 . 1 1 119 119 LEU N N 119 122.984 122.984 120.481 2.503 25810 8629 1 16 . 1 1 119 119 LEU HA H 119 4.308 4.308 3.966 0.342 25810 8630 1 16 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.373 -0.871 25810 8631 1 16 . 1 1 119 119 LEU CB C 119 42.261 42.261 41.893 0.368 25810 8632 1 16 . 1 1 119 119 LEU H H 119 7.970 7.970 8.065 -0.095 25810 8633 1 16 . 1 1 120 120 ASP N N 120 120.516 120.516 118.837 1.679 25810 8634 1 16 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.415 0.195 25810 8635 1 16 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.303 -0.851 25810 8636 1 16 . 1 1 120 120 ASP CB C 120 41.020 41.020 40.558 0.462 25810 8637 1 16 . 1 1 120 120 ASP H H 120 8.149 8.149 7.428 0.721 25810 8638 1 16 . 1 1 121 121 LEU N N 121 122.598 122.598 121.361 1.237 25810 8639 1 16 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.181 0.094 25810 8640 1 16 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.431 0.590 25810 8641 1 16 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.217 -0.163 25810 8642 1 16 . 1 1 121 121 LEU H H 121 8.111 8.111 8.339 -0.228 25810 8643 1 16 . 1 1 122 122 ARG N N 122 119.425 119.425 121.014 -1.589 25810 8644 1 16 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.364 -0.117 25810 8645 1 16 . 1 1 122 122 ARG CA C 122 56.615 56.615 56.456 0.159 25810 8646 1 16 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.694 -0.258 25810 8647 1 16 . 1 1 122 122 ARG H H 122 8.131 8.131 8.326 -0.195 25810 8648 1 16 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.263 1.881 25810 8649 1 16 . 1 1 123 123 ALA CB C 123 19.123 19.123 20.816 -1.693 25810 8650 1 16 . 1 1 124 124 HIS N N 124 117.075 117.075 121.268 -4.193 25810 8651 1 16 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.192 0.905 25810 8652 1 16 . 1 1 124 124 HIS CB C 124 30.425 30.425 28.824 1.601 25810 8653 1 16 . 1 1 124 124 HIS H H 124 8.185 8.185 8.536 -0.351 25810 8654 1 16 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.553 -0.199 25810 8655 1 16 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.671 0.586 25810 8656 1 16 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.613 -0.312 25810 8657 1 17 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 29.719 0.858 25810 8658 1 17 . 1 1 -7 -7 GLY N N -7 108.818 108.818 108.870 -0.052 25810 8659 1 17 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.446 -0.262 25810 8660 1 17 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.682 -0.352 25810 8661 1 17 . 1 1 0 0 ASP N N 0 115.716 115.716 114.340 1.376 25810 8662 1 17 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.317 0.171 25810 8663 1 17 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.671 0.012 25810 8664 1 17 . 1 1 0 0 ASP CB C 0 63.996 63.996 64.139 -0.143 25810 8665 1 17 . 1 1 0 0 ASP H H 0 8.155 8.155 8.332 -0.177 25810 8666 1 17 . 1 1 1 1 MET N N 1 121.815 121.815 116.559 5.256 25810 8667 1 17 . 1 1 1 1 MET HA H 1 4.450 4.450 4.169 0.281 25810 8668 1 17 . 1 1 1 1 MET CA C 1 55.996 55.996 56.064 -0.068 25810 8669 1 17 . 1 1 1 1 MET CB C 1 32.334 32.334 31.643 0.691 25810 8670 1 17 . 1 1 1 1 MET H H 1 8.553 8.553 8.767 -0.214 25810 8671 1 17 . 1 1 2 2 ASP N N 2 119.828 119.828 118.879 0.949 25810 8672 1 17 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.315 0.166 25810 8673 1 17 . 1 1 2 2 ASP CA C 2 56.123 56.123 56.940 -0.817 25810 8674 1 17 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.106 1.005 25810 8675 1 17 . 1 1 3 3 ASP N N 3 119.912 119.912 120.652 -0.740 25810 8676 1 17 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.393 0.083 25810 8677 1 17 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.415 -0.195 25810 8678 1 17 . 1 1 3 3 ASP CB C 3 40.942 40.942 39.917 1.024 25810 8679 1 17 . 1 1 3 3 ASP H H 3 8.098 8.098 8.805 -0.707 25810 8680 1 17 . 1 1 4 4 ILE N N 4 120.617 120.617 120.816 -0.199 25810 8681 1 17 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.714 0.133 25810 8682 1 17 . 1 1 4 4 ILE CA C 4 63.837 63.837 63.927 -0.090 25810 8683 1 17 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.835 -0.047 25810 8684 1 17 . 1 1 4 4 ILE H H 4 7.897 7.897 7.690 0.207 25810 8685 1 17 . 1 1 5 5 TYR N N 5 121.116 121.116 120.815 0.301 25810 8686 1 17 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.907 0.401 25810 8687 1 17 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.427 -1.176 25810 8688 1 17 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.212 -0.623 25810 8689 1 17 . 1 1 5 5 TYR H H 5 7.961 7.961 8.449 -0.488 25810 8690 1 17 . 1 1 6 6 LYS N N 6 120.005 120.005 117.965 2.040 25810 8691 1 17 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.648 0.275 25810 8692 1 17 . 1 1 6 6 LYS CA C 6 59.544 59.544 58.815 0.729 25810 8693 1 17 . 1 1 6 6 LYS CB C 6 32.355 32.355 31.844 0.511 25810 8694 1 17 . 1 1 6 6 LYS H H 6 8.008 8.008 8.461 -0.453 25810 8695 1 17 . 1 1 7 7 ALA N N 7 120.589 120.589 121.450 -0.861 25810 8696 1 17 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.005 0.149 25810 8697 1 17 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.923 -0.406 25810 8698 1 17 . 1 1 7 7 ALA CB C 7 18.086 18.086 17.918 0.168 25810 8699 1 17 . 1 1 7 7 ALA H H 7 7.816 7.816 7.846 -0.030 25810 8700 1 17 . 1 1 8 8 ALA N N 8 120.065 120.065 120.474 -0.409 25810 8701 1 17 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.788 0.366 25810 8702 1 17 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.881 -0.183 25810 8703 1 17 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.158 0.325 25810 8704 1 17 . 1 1 8 8 ALA H H 8 7.622 7.622 7.398 0.224 25810 8705 1 17 . 1 1 9 9 VAL N N 9 118.101 118.101 117.624 0.477 25810 8706 1 17 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.504 0.055 25810 8707 1 17 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.331 -0.297 25810 8708 1 17 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.045 0.637 25810 8709 1 17 . 1 1 9 9 VAL H H 9 7.974 7.974 7.469 0.505 25810 8710 1 17 . 1 1 10 10 GLU N N 10 118.217 118.217 117.311 0.906 25810 8711 1 17 . 1 1 10 10 GLU HA H 10 4.127 4.127 3.997 0.130 25810 8712 1 17 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.497 -0.228 25810 8713 1 17 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.498 0.066 25810 8714 1 17 . 1 1 10 10 GLU H H 10 7.682 7.682 7.965 -0.283 25810 8715 1 17 . 1 1 11 11 GLN N N 11 114.903 114.903 115.833 -0.930 25810 8716 1 17 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.288 0.035 25810 8717 1 17 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.492 -0.840 25810 8718 1 17 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.159 -0.712 25810 8719 1 17 . 1 1 11 11 GLN H H 11 7.404 7.404 7.522 -0.118 25810 8720 1 17 . 1 1 12 12 LEU N N 12 120.467 120.467 120.565 -0.098 25810 8721 1 17 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.534 0.048 25810 8722 1 17 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.017 0.980 25810 8723 1 17 . 1 1 12 12 LEU CB C 12 43.566 43.566 43.043 0.523 25810 8724 1 17 . 1 1 12 12 LEU H H 12 7.354 7.354 7.951 -0.597 25810 8725 1 17 . 1 1 13 13 THR N N 13 113.431 113.431 113.195 0.236 25810 8726 1 17 . 1 1 13 13 THR HA H 13 4.462 4.462 4.417 0.045 25810 8727 1 17 . 1 1 13 13 THR CA C 13 60.759 60.759 61.004 -0.245 25810 8728 1 17 . 1 1 13 13 THR CB C 13 71.101 71.101 70.482 0.619 25810 8729 1 17 . 1 1 13 13 THR H H 13 8.844 8.844 8.427 0.417 25810 8730 1 17 . 1 1 14 14 GLU N N 14 121.790 121.790 121.687 0.103 25810 8731 1 17 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.957 0.006 25810 8732 1 17 . 1 1 14 14 GLU CA C 14 59.874 59.874 59.812 0.062 25810 8733 1 17 . 1 1 14 14 GLU CB C 14 29.318 29.318 28.930 0.388 25810 8734 1 17 . 1 1 14 14 GLU H H 14 9.013 9.013 8.932 0.081 25810 8735 1 17 . 1 1 15 15 GLU N N 15 117.495 117.495 120.023 -2.528 25810 8736 1 17 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.009 0.051 25810 8737 1 17 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.446 0.886 25810 8738 1 17 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.365 -0.189 25810 8739 1 17 . 1 1 15 15 GLU H H 15 8.653 8.653 8.587 0.066 25810 8740 1 17 . 1 1 16 16 GLN N N 16 119.205 119.205 118.429 0.776 25810 8741 1 17 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.235 -0.378 25810 8742 1 17 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.559 0.389 25810 8743 1 17 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.855 0.876 25810 8744 1 17 . 1 1 16 16 GLN H H 16 7.839 7.839 7.651 0.188 25810 8745 1 17 . 1 1 17 17 LYS N N 17 119.027 119.027 120.195 -1.168 25810 8746 1 17 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.202 -0.178 25810 8747 1 17 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.277 2.411 25810 8748 1 17 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.196 -0.140 25810 8749 1 17 . 1 1 17 17 LYS H H 17 8.539 8.539 7.876 0.663 25810 8750 1 17 . 1 1 18 18 ASN N N 18 117.428 117.428 117.725 -0.297 25810 8751 1 17 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.546 0.016 25810 8752 1 17 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.381 -0.208 25810 8753 1 17 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.620 -0.816 25810 8754 1 17 . 1 1 18 18 ASN H H 18 8.552 8.552 7.949 0.603 25810 8755 1 17 . 1 1 19 19 GLU N N 19 123.611 123.611 120.912 2.699 25810 8756 1 17 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.011 0.194 25810 8757 1 17 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.388 0.410 25810 8758 1 17 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.454 -0.048 25810 8759 1 17 . 1 1 19 19 GLU H H 19 8.012 8.012 7.756 0.256 25810 8760 1 17 . 1 1 20 20 PHE N N 20 117.357 117.357 119.984 -2.627 25810 8761 1 17 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.266 0.588 25810 8762 1 17 . 1 1 20 20 PHE CA C 20 60.733 60.733 62.780 -2.047 25810 8763 1 17 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.824 -0.502 25810 8764 1 17 . 1 1 20 20 PHE H H 20 8.320 8.320 9.009 -0.689 25810 8765 1 17 . 1 1 21 21 LYS N N 21 122.064 122.064 119.347 2.717 25810 8766 1 17 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.200 -0.175 25810 8767 1 17 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.785 -1.111 25810 8768 1 17 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.097 -0.413 25810 8769 1 17 . 1 1 21 21 LYS H H 21 8.864 8.864 8.096 0.768 25810 8770 1 17 . 1 1 22 22 ALA N N 22 121.827 121.827 121.275 0.552 25810 8771 1 17 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.242 -0.029 25810 8772 1 17 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.453 -0.722 25810 8773 1 17 . 1 1 22 22 ALA H H 22 8.009 8.009 7.758 0.251 25810 8774 1 17 . 1 1 23 23 ALA N N 23 119.945 119.945 122.384 -2.439 25810 8775 1 17 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.102 0.027 25810 8776 1 17 . 1 1 23 23 ALA CA C 23 55.339 55.339 55.216 0.123 25810 8777 1 17 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.621 0.365 25810 8778 1 17 . 1 1 23 23 ALA H H 23 8.178 8.178 8.768 -0.590 25810 8779 1 17 . 1 1 24 24 PHE N N 24 121.275 121.275 119.058 2.217 25810 8780 1 17 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.130 -0.592 25810 8781 1 17 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.419 0.994 25810 8782 1 17 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.495 0.246 25810 8783 1 17 . 1 1 24 24 PHE H H 24 8.925 8.925 8.962 -0.037 25810 8784 1 17 . 1 1 25 25 ASP N N 25 117.407 117.407 119.754 -2.347 25810 8785 1 17 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.201 0.063 25810 8786 1 17 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.355 -0.341 25810 8787 1 17 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.333 -0.436 25810 8788 1 17 . 1 1 25 25 ASP H H 25 8.714 8.714 8.158 0.556 25810 8789 1 17 . 1 1 26 26 ILE N N 26 119.320 119.320 118.431 0.889 25810 8790 1 17 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.661 0.156 25810 8791 1 17 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.618 -1.204 25810 8792 1 17 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.042 -0.600 25810 8793 1 17 . 1 1 26 26 ILE H H 26 7.337 7.337 7.702 -0.365 25810 8794 1 17 . 1 1 27 27 PHE N N 27 123.734 123.734 118.982 4.752 25810 8795 1 17 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.274 -0.698 25810 8796 1 17 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.972 1.646 25810 8797 1 17 . 1 1 27 27 PHE H H 27 8.139 8.139 7.683 0.456 25810 8798 1 17 . 1 1 28 28 VAL N N 28 105.007 105.007 111.849 -6.842 25810 8799 1 17 . 1 1 28 28 VAL HA H 28 4.083 4.083 4.025 0.058 25810 8800 1 17 . 1 1 28 28 VAL CA C 28 61.156 61.156 60.272 0.884 25810 8801 1 17 . 1 1 28 28 VAL CB C 28 31.392 31.392 30.084 1.308 25810 8802 1 17 . 1 1 28 28 VAL H H 28 7.505 7.505 7.420 0.085 25810 8803 1 17 . 1 1 29 29 LEU N N 29 126.175 126.175 123.534 2.641 25810 8804 1 17 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.244 -0.149 25810 8805 1 17 . 1 1 29 29 LEU CA C 29 57.496 57.496 55.903 1.593 25810 8806 1 17 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.657 -0.082 25810 8807 1 17 . 1 1 29 29 LEU H H 29 7.274 7.274 7.421 -0.147 25810 8808 1 17 . 1 1 30 30 GLY N N 30 113.173 113.173 113.123 0.050 25810 8809 1 17 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.947 0.593 25810 8810 1 17 . 1 1 30 30 GLY H H 30 8.950 8.950 8.457 0.493 25810 8811 1 17 . 1 1 31 31 ALA N N 31 124.109 124.109 121.927 2.182 25810 8812 1 17 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.194 0.263 25810 8813 1 17 . 1 1 31 31 ALA CA C 31 52.228 52.228 52.192 0.036 25810 8814 1 17 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.675 0.247 25810 8815 1 17 . 1 1 31 31 ALA H H 31 8.131 8.131 7.394 0.737 25810 8816 1 17 . 1 1 32 32 GLU N N 32 124.956 124.956 123.380 1.576 25810 8817 1 17 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.153 -0.053 25810 8818 1 17 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.499 0.594 25810 8819 1 17 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.895 -0.009 25810 8820 1 17 . 1 1 32 32 GLU H H 32 9.204 9.204 8.998 0.206 25810 8821 1 17 . 1 1 33 33 ASP N N 33 115.544 115.544 119.267 -3.723 25810 8822 1 17 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.778 -0.013 25810 8823 1 17 . 1 1 33 33 ASP CA C 33 53.071 53.071 53.921 -0.850 25810 8824 1 17 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.039 0.344 25810 8825 1 17 . 1 1 33 33 ASP H H 33 8.156 8.156 8.389 -0.233 25810 8826 1 17 . 1 1 34 34 GLY N N 34 105.580 105.580 106.714 -1.134 25810 8827 1 17 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.455 1.284 25810 8828 1 17 . 1 1 34 34 GLY H H 34 7.582 7.582 8.295 -0.713 25810 8829 1 17 . 1 1 35 35 SER N N 35 113.292 113.292 114.673 -1.381 25810 8830 1 17 . 1 1 35 35 SER HA H 35 4.960 4.960 4.678 0.282 25810 8831 1 17 . 1 1 35 35 SER CA C 35 57.390 57.390 56.372 1.018 25810 8832 1 17 . 1 1 35 35 SER CB C 35 66.240 66.240 65.118 1.122 25810 8833 1 17 . 1 1 35 35 SER H H 35 7.584 7.584 7.532 0.052 25810 8834 1 17 . 1 1 36 36 ILE N N 36 119.513 119.513 124.583 -5.070 25810 8835 1 17 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.142 -0.379 25810 8836 1 17 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.531 0.757 25810 8837 1 17 . 1 1 36 36 ILE CB C 36 39.605 39.605 38.852 0.753 25810 8838 1 17 . 1 1 36 36 ILE H H 36 9.028 9.028 8.735 0.293 25810 8839 1 17 . 1 1 37 37 SER N N 37 126.146 126.146 122.071 4.075 25810 8840 1 17 . 1 1 37 37 SER HA H 37 5.198 5.198 4.823 0.375 25810 8841 1 17 . 1 1 37 37 SER CA C 37 57.010 57.010 56.756 0.254 25810 8842 1 17 . 1 1 37 37 SER CB C 37 67.563 67.563 66.309 1.254 25810 8843 1 17 . 1 1 37 37 SER H H 37 9.571 9.571 7.898 1.673 25810 8844 1 17 . 1 1 38 38 THR N N 38 111.059 111.059 118.002 -6.943 25810 8845 1 17 . 1 1 38 38 THR HA H 38 4.514 4.514 3.925 0.589 25810 8846 1 17 . 1 1 38 38 THR CA C 38 66.653 66.653 66.317 0.336 25810 8847 1 17 . 1 1 38 38 THR CB C 38 68.362 68.362 68.529 -0.167 25810 8848 1 17 . 1 1 38 38 THR H H 38 8.794 8.794 8.985 -0.191 25810 8849 1 17 . 1 1 39 39 LYS N N 39 123.369 123.369 120.626 2.743 25810 8850 1 17 . 1 1 39 39 LYS HA H 39 4.056 4.056 3.970 0.086 25810 8851 1 17 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.688 0.078 25810 8852 1 17 . 1 1 39 39 LYS CB C 39 32.203 32.203 31.377 0.827 25810 8853 1 17 . 1 1 39 39 LYS H H 39 8.044 8.044 8.389 -0.345 25810 8854 1 17 . 1 1 40 40 GLU N N 40 119.970 119.970 120.093 -0.123 25810 8855 1 17 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.078 0.096 25810 8856 1 17 . 1 1 40 40 GLU CA C 40 61.272 61.272 58.904 2.368 25810 8857 1 17 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.326 0.866 25810 8858 1 17 . 1 1 40 40 GLU H H 40 7.714 7.714 7.674 0.040 25810 8859 1 17 . 1 1 41 41 LEU N N 41 119.088 119.088 120.845 -1.757 25810 8860 1 17 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.148 0.101 25810 8861 1 17 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.686 0.185 25810 8862 1 17 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.228 1.008 25810 8863 1 17 . 1 1 41 41 LEU H H 41 8.375 8.375 7.780 0.595 25810 8864 1 17 . 1 1 42 42 GLY N N 42 106.311 106.311 106.537 -0.226 25810 8865 1 17 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.136 1.095 25810 8866 1 17 . 1 1 42 42 GLY H H 42 8.581 8.581 8.645 -0.064 25810 8867 1 17 . 1 1 43 43 LYS N N 43 120.717 120.717 122.262 -1.545 25810 8868 1 17 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.023 -0.052 25810 8869 1 17 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.172 0.868 25810 8870 1 17 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.452 -0.059 25810 8871 1 17 . 1 1 43 43 LYS H H 43 7.293 7.293 7.458 -0.165 25810 8872 1 17 . 1 1 44 44 VAL N N 44 119.884 119.884 119.333 0.551 25810 8873 1 17 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.707 -0.066 25810 8874 1 17 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.129 0.315 25810 8875 1 17 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.965 0.091 25810 8876 1 17 . 1 1 44 44 VAL H H 44 7.560 7.560 7.684 -0.124 25810 8877 1 17 . 1 1 45 45 MET N N 45 117.256 117.256 118.848 -1.592 25810 8878 1 17 . 1 1 45 45 MET HA H 45 4.179 4.179 4.141 0.038 25810 8879 1 17 . 1 1 45 45 MET CA C 45 57.934 57.934 57.192 0.742 25810 8880 1 17 . 1 1 45 45 MET CB C 45 31.407 31.407 31.023 0.384 25810 8881 1 17 . 1 1 45 45 MET H H 45 8.575 8.575 8.296 0.279 25810 8882 1 17 . 1 1 46 46 ARG N N 46 118.652 118.652 119.345 -0.693 25810 8883 1 17 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.244 0.350 25810 8884 1 17 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.233 0.189 25810 8885 1 17 . 1 1 46 46 ARG CB C 46 29.860 29.860 29.945 -0.085 25810 8886 1 17 . 1 1 46 46 ARG H H 46 8.080 8.080 7.980 0.100 25810 8887 1 17 . 1 1 47 47 MET N N 47 122.632 122.632 119.012 3.620 25810 8888 1 17 . 1 1 47 47 MET HA H 47 4.179 4.179 4.197 -0.018 25810 8889 1 17 . 1 1 47 47 MET CA C 47 59.178 59.178 58.299 0.879 25810 8890 1 17 . 1 1 47 47 MET CB C 47 32.669 32.669 32.679 -0.010 25810 8891 1 17 . 1 1 47 47 MET H H 47 7.864 7.864 7.618 0.246 25810 8892 1 17 . 1 1 48 48 LEU N N 48 117.884 117.884 117.863 0.021 25810 8893 1 17 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.414 -0.052 25810 8894 1 17 . 1 1 48 48 LEU CA C 48 54.538 54.538 54.592 -0.054 25810 8895 1 17 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.009 -0.191 25810 8896 1 17 . 1 1 48 48 LEU H H 48 7.485 7.485 7.872 -0.387 25810 8897 1 17 . 1 1 49 49 GLY N N 49 107.912 107.912 107.218 0.694 25810 8898 1 17 . 1 1 49 49 GLY CA C 49 45.963 45.963 45.028 0.935 25810 8899 1 17 . 1 1 49 49 GLY H H 49 7.884 7.884 7.843 0.041 25810 8900 1 17 . 1 1 50 50 GLN N N 50 117.606 117.606 120.706 -3.100 25810 8901 1 17 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.418 0.083 25810 8902 1 17 . 1 1 50 50 GLN CA C 50 53.392 53.392 55.092 -1.700 25810 8903 1 17 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.181 0.592 25810 8904 1 17 . 1 1 50 50 GLN H H 50 8.096 8.096 7.666 0.430 25810 8905 1 17 . 1 1 51 51 ASN N N 51 116.663 116.663 123.029 -6.366 25810 8906 1 17 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.068 0.054 25810 8907 1 17 . 1 1 51 51 ASN CA C 51 51.230 51.230 49.873 1.357 25810 8908 1 17 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.905 0.241 25810 8909 1 17 . 1 1 51 51 ASN H H 51 8.693 8.693 8.739 -0.046 25810 8910 1 17 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.621 0.068 25810 8911 1 17 . 1 1 53 53 THR N N 53 113.865 113.865 113.194 0.671 25810 8912 1 17 . 1 1 53 53 THR H H 53 8.985 8.985 8.155 0.830 25810 8913 1 17 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.201 -0.015 25810 8914 1 17 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.648 0.614 25810 8915 1 17 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.714 0.176 25810 8916 1 17 . 1 1 55 55 GLU N N 55 117.475 117.475 117.231 0.244 25810 8917 1 17 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.080 -0.036 25810 8918 1 17 . 1 1 55 55 GLU CA C 55 60.615 60.615 60.067 0.548 25810 8919 1 17 . 1 1 55 55 GLU CB C 55 28.735 28.735 28.879 -0.144 25810 8920 1 17 . 1 1 55 55 GLU H H 55 8.785 8.785 8.929 -0.144 25810 8921 1 17 . 1 1 56 56 GLU N N 56 121.699 121.699 120.357 1.342 25810 8922 1 17 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.095 -0.071 25810 8923 1 17 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.993 0.262 25810 8924 1 17 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.393 0.703 25810 8925 1 17 . 1 1 56 56 GLU H H 56 7.815 7.815 7.923 -0.108 25810 8926 1 17 . 1 1 57 57 LEU N N 57 118.421 118.421 119.960 -1.539 25810 8927 1 17 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.958 0.055 25810 8928 1 17 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.014 -1.452 25810 8929 1 17 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.684 1.048 25810 8930 1 17 . 1 1 57 57 LEU H H 57 8.246 8.246 7.844 0.402 25810 8931 1 17 . 1 1 58 58 GLN N N 58 118.349 118.349 118.963 -0.614 25810 8932 1 17 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.897 -0.200 25810 8933 1 17 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.275 -0.938 25810 8934 1 17 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.663 -0.095 25810 8935 1 17 . 1 1 58 58 GLN H H 58 8.003 8.003 7.988 0.015 25810 8936 1 17 . 1 1 59 59 GLU N N 59 119.049 119.049 120.027 -0.978 25810 8937 1 17 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.051 0.046 25810 8938 1 17 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.289 0.352 25810 8939 1 17 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.331 0.290 25810 8940 1 17 . 1 1 59 59 GLU H H 59 7.979 7.979 7.884 0.095 25810 8941 1 17 . 1 1 60 60 MET N N 60 117.492 117.492 118.336 -0.844 25810 8942 1 17 . 1 1 60 60 MET HA H 60 4.083 4.083 4.249 -0.166 25810 8943 1 17 . 1 1 60 60 MET CA C 60 59.764 59.764 57.618 2.146 25810 8944 1 17 . 1 1 60 60 MET CB C 60 34.533 34.533 32.091 2.442 25810 8945 1 17 . 1 1 60 60 MET H H 60 7.776 7.776 8.121 -0.345 25810 8946 1 17 . 1 1 61 61 ILE N N 61 118.035 118.035 120.427 -2.392 25810 8947 1 17 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.712 0.005 25810 8948 1 17 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.018 -1.905 25810 8949 1 17 . 1 1 61 61 ILE CB C 61 36.290 36.290 36.700 -0.410 25810 8950 1 17 . 1 1 61 61 ILE H H 61 7.564 7.564 8.045 -0.481 25810 8951 1 17 . 1 1 62 62 ASP N N 62 119.355 119.355 121.249 -1.894 25810 8952 1 17 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.328 0.019 25810 8953 1 17 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.313 0.363 25810 8954 1 17 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.594 -0.242 25810 8955 1 17 . 1 1 62 62 ASP H H 62 8.801 8.801 8.282 0.519 25810 8956 1 17 . 1 1 63 63 GLU N N 63 116.439 116.439 118.793 -2.354 25810 8957 1 17 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.037 0.026 25810 8958 1 17 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.920 -0.099 25810 8959 1 17 . 1 1 63 63 GLU CB C 63 30.124 30.124 30.025 0.099 25810 8960 1 17 . 1 1 63 63 GLU H H 63 7.702 7.702 7.725 -0.023 25810 8961 1 17 . 1 1 64 64 VAL N N 64 112.796 112.796 117.140 -4.344 25810 8962 1 17 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.828 0.366 25810 8963 1 17 . 1 1 64 64 VAL CA C 64 61.611 61.611 64.746 -3.135 25810 8964 1 17 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.065 0.599 25810 8965 1 17 . 1 1 64 64 VAL H H 64 7.151 7.151 7.697 -0.546 25810 8966 1 17 . 1 1 65 65 ASP N N 65 121.138 121.138 118.582 2.556 25810 8967 1 17 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.551 -0.041 25810 8968 1 17 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.597 -2.032 25810 8969 1 17 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.929 -0.912 25810 8970 1 17 . 1 1 65 65 ASP H H 65 7.866 7.866 8.110 -0.244 25810 8971 1 17 . 1 1 66 66 GLU N N 66 128.324 128.324 124.458 3.866 25810 8972 1 17 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.240 -0.046 25810 8973 1 17 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.492 -0.040 25810 8974 1 17 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.321 0.792 25810 8975 1 17 . 1 1 66 66 GLU H H 66 8.187 8.187 8.459 -0.272 25810 8976 1 17 . 1 1 67 67 ASP N N 67 114.662 114.662 115.233 -0.571 25810 8977 1 17 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.701 -0.011 25810 8978 1 17 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.123 -0.363 25810 8979 1 17 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.361 -0.007 25810 8980 1 17 . 1 1 67 67 ASP H H 67 8.111 8.111 8.136 -0.025 25810 8981 1 17 . 1 1 68 68 GLY N N 68 109.084 109.084 108.562 0.522 25810 8982 1 17 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.066 1.070 25810 8983 1 17 . 1 1 68 68 GLY H H 68 7.771 7.771 8.037 -0.266 25810 8984 1 17 . 1 1 69 69 SER N N 69 117.283 117.283 116.014 1.269 25810 8985 1 17 . 1 1 69 69 SER HA H 69 4.217 4.217 4.203 0.014 25810 8986 1 17 . 1 1 69 69 SER CA C 69 60.270 60.270 59.539 0.731 25810 8987 1 17 . 1 1 69 69 SER CB C 69 64.648 64.648 64.064 0.584 25810 8988 1 17 . 1 1 69 69 SER H H 69 8.632 8.632 8.882 -0.250 25810 8989 1 17 . 1 1 70 70 GLY N N 70 116.242 116.242 110.395 5.847 25810 8990 1 17 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.336 0.152 25810 8991 1 17 . 1 1 70 70 GLY H H 70 10.710 10.710 9.253 1.457 25810 8992 1 17 . 1 1 71 71 THR N N 71 106.843 106.843 111.387 -4.544 25810 8993 1 17 . 1 1 71 71 THR HA H 71 4.941 4.941 4.745 0.196 25810 8994 1 17 . 1 1 71 71 THR CA C 71 58.422 58.422 59.841 -1.419 25810 8995 1 17 . 1 1 71 71 THR CB C 71 73.822 73.822 72.778 1.044 25810 8996 1 17 . 1 1 71 71 THR H H 71 7.551 7.551 7.483 0.068 25810 8997 1 17 . 1 1 72 72 VAL N N 72 127.231 127.231 122.180 5.051 25810 8998 1 17 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.472 0.602 25810 8999 1 17 . 1 1 72 72 VAL CA C 72 61.797 61.797 62.008 -0.211 25810 9000 1 17 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.066 0.860 25810 9001 1 17 . 1 1 72 72 VAL H H 72 9.690 9.690 8.207 1.483 25810 9002 1 17 . 1 1 73 73 ASP N N 73 129.232 129.232 127.158 2.074 25810 9003 1 17 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.881 0.211 25810 9004 1 17 . 1 1 73 73 ASP CA C 73 52.381 52.381 52.199 0.182 25810 9005 1 17 . 1 1 73 73 ASP CB C 73 42.040 42.040 43.060 -1.020 25810 9006 1 17 . 1 1 73 73 ASP H H 73 8.828 8.828 8.382 0.446 25810 9007 1 17 . 1 1 74 74 PHE N N 74 118.313 118.313 121.619 -3.306 25810 9008 1 17 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.265 0.016 25810 9009 1 17 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.125 -0.756 25810 9010 1 17 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.816 -0.226 25810 9011 1 17 . 1 1 74 74 PHE H H 74 8.496 8.496 8.611 -0.115 25810 9012 1 17 . 1 1 75 75 ASP N N 75 117.592 117.592 117.428 0.164 25810 9013 1 17 . 1 1 75 75 ASP HA H 75 3.924 3.924 3.938 -0.014 25810 9014 1 17 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.342 0.515 25810 9015 1 17 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.323 0.661 25810 9016 1 17 . 1 1 75 75 ASP H H 75 7.708 7.708 8.561 -0.853 25810 9017 1 17 . 1 1 76 76 GLU N N 76 120.100 120.100 119.801 0.299 25810 9018 1 17 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.007 -0.088 25810 9019 1 17 . 1 1 76 76 GLU CA C 76 58.410 58.410 58.886 -0.476 25810 9020 1 17 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.394 0.833 25810 9021 1 17 . 1 1 76 76 GLU H H 76 8.267 8.267 8.169 0.098 25810 9022 1 17 . 1 1 77 77 PHE N N 77 122.101 122.101 121.466 0.635 25810 9023 1 17 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.161 -0.470 25810 9024 1 17 . 1 1 77 77 PHE CA C 77 60.916 60.916 60.479 0.437 25810 9025 1 17 . 1 1 77 77 PHE CB C 77 40.070 40.070 38.929 1.141 25810 9026 1 17 . 1 1 77 77 PHE H H 77 8.760 8.760 8.759 0.001 25810 9027 1 17 . 1 1 78 78 LEU N N 78 120.110 120.110 118.564 1.546 25810 9028 1 17 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.234 -0.007 25810 9029 1 17 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.748 0.367 25810 9030 1 17 . 1 1 78 78 LEU CB C 78 41.610 41.610 40.397 1.213 25810 9031 1 17 . 1 1 78 78 LEU H H 78 8.404 8.404 7.638 0.766 25810 9032 1 17 . 1 1 79 79 VAL N N 79 116.259 116.259 119.307 -3.048 25810 9033 1 17 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.467 -0.260 25810 9034 1 17 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.707 -0.078 25810 9035 1 17 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.230 0.207 25810 9036 1 17 . 1 1 79 79 VAL H H 79 7.132 7.132 7.924 -0.792 25810 9037 1 17 . 1 1 80 80 MET N N 80 118.429 118.429 119.898 -1.469 25810 9038 1 17 . 1 1 80 80 MET HA H 80 3.810 3.810 3.960 -0.150 25810 9039 1 17 . 1 1 80 80 MET CA C 80 57.828 57.828 59.282 -1.454 25810 9040 1 17 . 1 1 80 80 MET CB C 80 31.114 31.114 32.613 -1.499 25810 9041 1 17 . 1 1 80 80 MET H H 80 7.191 7.191 8.228 -1.037 25810 9042 1 17 . 1 1 81 81 MET H H 81 8.104 8.104 7.581 0.523 25810 9043 1 17 . 1 1 86 86 LYS N N 86 118.058 118.058 122.055 -3.997 25810 9044 1 17 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.007 0.293 25810 9045 1 17 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.190 -1.792 25810 9046 1 17 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.441 0.405 25810 9047 1 17 . 1 1 86 86 LYS H H 86 7.750 7.750 8.275 -0.525 25810 9048 1 17 . 1 1 87 87 ASP N N 87 120.199 120.199 119.736 0.463 25810 9049 1 17 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.355 0.303 25810 9050 1 17 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.711 -2.594 25810 9051 1 17 . 1 1 87 87 ASP CB C 87 41.376 41.376 39.995 1.381 25810 9052 1 17 . 1 1 87 87 ASP H H 87 8.102 8.102 8.500 -0.398 25810 9053 1 17 . 1 1 88 88 ASP N N 88 121.497 121.497 118.372 3.125 25810 9054 1 17 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.528 0.162 25810 9055 1 17 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.842 -2.176 25810 9056 1 17 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.364 0.793 25810 9057 1 17 . 1 1 88 88 ASP H H 88 8.363 8.363 8.557 -0.194 25810 9058 1 17 . 1 1 89 89 SER N N 89 115.602 115.602 114.437 1.165 25810 9059 1 17 . 1 1 89 89 SER HA H 89 4.347 4.347 4.230 0.117 25810 9060 1 17 . 1 1 89 89 SER CA C 89 59.571 59.571 60.782 -1.211 25810 9061 1 17 . 1 1 89 89 SER CB C 89 63.999 63.999 63.522 0.477 25810 9062 1 17 . 1 1 89 89 SER H H 89 8.251 8.251 7.940 0.311 25810 9063 1 17 . 1 1 90 90 GLU N N 90 121.265 121.265 120.581 0.684 25810 9064 1 17 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.199 0.031 25810 9065 1 17 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.074 -1.022 25810 9066 1 17 . 1 1 90 90 GLU CB C 90 29.810 29.810 30.454 -0.644 25810 9067 1 17 . 1 1 90 90 GLU H H 90 8.331 8.331 8.204 0.127 25810 9068 1 17 . 1 1 91 91 ASN N N 91 118.544 118.544 115.982 2.562 25810 9069 1 17 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.810 -0.155 25810 9070 1 17 . 1 1 91 91 ASN CA C 91 53.461 53.461 52.213 1.248 25810 9071 1 17 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.873 -0.665 25810 9072 1 17 . 1 1 91 91 ASN H H 91 8.131 8.131 7.841 0.290 25810 9073 1 17 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.139 -0.146 25810 9074 1 17 . 1 1 95 95 GLN CA C 95 56.411 56.411 57.794 -1.383 25810 9075 1 17 . 1 1 95 95 GLN CB C 95 29.282 29.282 28.362 0.920 25810 9076 1 17 . 1 1 96 96 GLY N N 96 109.372 109.372 107.863 1.509 25810 9077 1 17 . 1 1 96 96 GLY CA C 96 45.688 45.688 46.075 -0.387 25810 9078 1 17 . 1 1 96 96 GLY H H 96 8.110 8.110 8.647 -0.537 25810 9079 1 17 . 1 1 97 97 ARG N N 97 120.154 120.154 119.597 0.557 25810 9080 1 17 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.249 0.218 25810 9081 1 17 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.548 -0.982 25810 9082 1 17 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.599 0.906 25810 9083 1 17 . 1 1 97 97 ARG H H 97 7.966 7.966 7.590 0.376 25810 9084 1 17 . 1 1 99 99 VAL HA H 99 4.142 4.142 3.803 0.339 25810 9085 1 17 . 1 1 99 99 VAL CA C 99 62.039 62.039 63.490 -1.451 25810 9086 1 17 . 1 1 99 99 VAL CB C 99 30.875 30.875 29.284 1.591 25810 9087 1 17 . 1 1 100 100 ARG N N 100 125.661 125.661 118.588 7.073 25810 9088 1 17 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.057 0.444 25810 9089 1 17 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.826 -2.269 25810 9090 1 17 . 1 1 100 100 ARG H H 100 8.379 8.379 7.837 0.542 25810 9091 1 17 . 1 1 102 102 SER HA H 102 4.356 4.356 4.446 -0.090 25810 9092 1 17 . 1 1 102 102 SER CA C 102 57.361 57.361 58.423 -1.062 25810 9093 1 17 . 1 1 102 102 SER CB C 102 65.237 65.237 64.160 1.077 25810 9094 1 17 . 1 1 103 103 ALA N N 103 125.468 125.468 128.257 -2.789 25810 9095 1 17 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.052 -0.041 25810 9096 1 17 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.920 1.065 25810 9097 1 17 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.133 0.461 25810 9098 1 17 . 1 1 103 103 ALA H H 103 9.148 9.148 8.797 0.351 25810 9099 1 17 . 1 1 104 104 ASP N N 104 115.217 115.217 118.795 -3.578 25810 9100 1 17 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.330 -0.022 25810 9101 1 17 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.637 -0.330 25810 9102 1 17 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.400 0.578 25810 9103 1 17 . 1 1 104 104 ASP H H 104 8.517 8.517 8.812 -0.295 25810 9104 1 17 . 1 1 105 105 ALA N N 105 122.884 122.884 122.475 0.409 25810 9105 1 17 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.099 -0.019 25810 9106 1 17 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.885 0.219 25810 9107 1 17 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.320 0.017 25810 9108 1 17 . 1 1 105 105 ALA H H 105 7.953 7.953 7.384 0.569 25810 9109 1 17 . 1 1 106 106 MET N N 106 118.710 118.710 117.934 0.776 25810 9110 1 17 . 1 1 106 106 MET HA H 106 3.987 3.987 4.070 -0.083 25810 9111 1 17 . 1 1 106 106 MET CA C 106 59.704 59.704 59.226 0.478 25810 9112 1 17 . 1 1 106 106 MET CB C 106 33.450 33.450 32.751 0.699 25810 9113 1 17 . 1 1 106 106 MET H H 106 8.186 8.186 7.564 0.622 25810 9114 1 17 . 1 1 107 107 MET N N 107 116.864 116.864 118.837 -1.973 25810 9115 1 17 . 1 1 107 107 MET HA H 107 4.446 4.446 4.189 0.257 25810 9116 1 17 . 1 1 107 107 MET CA C 107 57.649 57.649 57.616 0.033 25810 9117 1 17 . 1 1 107 107 MET CB C 107 31.359 31.359 32.011 -0.652 25810 9118 1 17 . 1 1 107 107 MET H H 107 8.483 8.483 8.318 0.165 25810 9119 1 17 . 1 1 108 108 GLN N N 108 117.959 117.959 120.867 -2.908 25810 9120 1 17 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.991 0.018 25810 9121 1 17 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.756 0.230 25810 9122 1 17 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.407 0.113 25810 9123 1 17 . 1 1 108 108 GLN H H 108 8.359 8.359 8.123 0.236 25810 9124 1 17 . 1 1 109 109 ALA N N 109 121.657 121.657 120.276 1.381 25810 9125 1 17 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.183 -0.044 25810 9126 1 17 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.172 0.593 25810 9127 1 17 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.558 -0.119 25810 9128 1 17 . 1 1 109 109 ALA H H 109 7.855 7.855 7.605 0.250 25810 9129 1 17 . 1 1 110 110 LEU N N 110 116.183 116.183 117.871 -1.688 25810 9130 1 17 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.056 0.069 25810 9131 1 17 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.066 0.365 25810 9132 1 17 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.715 -0.083 25810 9133 1 17 . 1 1 110 110 LEU H H 110 7.933 7.933 7.520 0.413 25810 9134 1 17 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.456 0.154 25810 9135 1 17 . 1 1 111 111 LEU CB C 111 42.892 42.892 44.144 -1.252 25810 9136 1 17 . 1 1 112 112 GLY N N 112 109.198 109.198 107.371 1.827 25810 9137 1 17 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.633 0.434 25810 9138 1 17 . 1 1 112 112 GLY H H 112 7.928 7.928 7.759 0.169 25810 9139 1 17 . 1 1 113 113 ALA N N 113 124.374 124.374 122.650 1.724 25810 9140 1 17 . 1 1 113 113 ALA HA H 113 4.263 4.263 3.960 0.303 25810 9141 1 17 . 1 1 113 113 ALA CA C 113 53.404 53.404 53.464 -0.060 25810 9142 1 17 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.814 -0.101 25810 9143 1 17 . 1 1 113 113 ALA H H 113 8.211 8.211 8.047 0.164 25810 9144 1 17 . 1 1 114 114 ARG N N 114 117.947 117.947 119.339 -1.392 25810 9145 1 17 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.465 -0.218 25810 9146 1 17 . 1 1 114 114 ARG CA C 114 56.568 56.568 54.770 1.798 25810 9147 1 17 . 1 1 114 114 ARG CB C 114 30.389 30.389 32.472 -2.083 25810 9148 1 17 . 1 1 114 114 ARG H H 114 7.974 7.974 8.456 -0.482 25810 9149 1 17 . 1 1 115 115 ALA N N 115 123.079 123.079 123.827 -0.748 25810 9150 1 17 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.274 -0.058 25810 9151 1 17 . 1 1 115 115 ALA CA C 115 52.783 52.783 53.113 -0.330 25810 9152 1 17 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.076 -0.161 25810 9153 1 17 . 1 1 115 115 ALA H H 115 7.969 7.969 8.518 -0.549 25810 9154 1 17 . 1 1 116 116 LYS N N 116 120.562 120.562 124.041 -3.479 25810 9155 1 17 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.310 -0.071 25810 9156 1 17 . 1 1 116 116 LYS CA C 116 57.421 57.421 57.294 0.127 25810 9157 1 17 . 1 1 116 116 LYS CB C 116 33.373 33.373 33.472 -0.099 25810 9158 1 17 . 1 1 116 116 LYS H H 116 8.310 8.310 8.389 -0.079 25810 9159 1 17 . 1 1 117 117 GLU N N 117 121.115 121.115 120.181 0.934 25810 9160 1 17 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.153 0.106 25810 9161 1 17 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.928 -1.581 25810 9162 1 17 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.144 0.893 25810 9163 1 17 . 1 1 117 117 GLU H H 117 8.646 8.646 8.748 -0.102 25810 9164 1 17 . 1 1 118 118 SER N N 118 115.616 115.616 114.468 1.148 25810 9165 1 17 . 1 1 118 118 SER HA H 118 4.322 4.322 4.245 0.077 25810 9166 1 17 . 1 1 118 118 SER CA C 118 59.082 59.082 60.624 -1.542 25810 9167 1 17 . 1 1 118 118 SER CB C 118 63.624 63.624 63.266 0.358 25810 9168 1 17 . 1 1 118 118 SER H H 118 8.346 8.346 8.020 0.326 25810 9169 1 17 . 1 1 119 119 LEU N N 119 122.984 122.984 119.791 3.193 25810 9170 1 17 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.149 0.159 25810 9171 1 17 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.311 -0.808 25810 9172 1 17 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.330 -0.069 25810 9173 1 17 . 1 1 119 119 LEU H H 119 7.970 7.970 7.640 0.330 25810 9174 1 17 . 1 1 120 120 ASP N N 120 120.516 120.516 118.552 1.964 25810 9175 1 17 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.811 -0.201 25810 9176 1 17 . 1 1 120 120 ASP CA C 120 54.452 54.452 53.963 0.489 25810 9177 1 17 . 1 1 120 120 ASP CB C 120 41.020 41.020 40.291 0.729 25810 9178 1 17 . 1 1 120 120 ASP H H 120 8.149 8.149 7.767 0.382 25810 9179 1 17 . 1 1 121 121 LEU N N 121 122.598 122.598 123.089 -0.491 25810 9180 1 17 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.661 -0.386 25810 9181 1 17 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.413 1.607 25810 9182 1 17 . 1 1 121 121 LEU CB C 121 42.054 42.054 44.190 -2.136 25810 9183 1 17 . 1 1 121 121 LEU H H 121 8.111 8.111 7.653 0.458 25810 9184 1 17 . 1 1 122 122 ARG N N 122 119.425 119.425 121.238 -1.813 25810 9185 1 17 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.598 -0.351 25810 9186 1 17 . 1 1 122 122 ARG CA C 122 56.615 56.615 55.371 1.244 25810 9187 1 17 . 1 1 122 122 ARG CB C 122 30.436 30.436 31.646 -1.210 25810 9188 1 17 . 1 1 122 122 ARG H H 122 8.131 8.131 8.465 -0.334 25810 9189 1 17 . 1 1 123 123 ALA CA C 123 53.144 53.144 53.520 -0.376 25810 9190 1 17 . 1 1 123 123 ALA CB C 123 19.123 19.123 18.891 0.232 25810 9191 1 17 . 1 1 124 124 HIS N N 124 117.075 117.075 118.572 -1.497 25810 9192 1 17 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.013 0.084 25810 9193 1 17 . 1 1 124 124 HIS CB C 124 30.425 30.425 30.247 0.178 25810 9194 1 17 . 1 1 124 124 HIS H H 124 8.185 8.185 7.905 0.280 25810 9195 1 17 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.198 0.156 25810 9196 1 17 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.551 -0.294 25810 9197 1 17 . 1 1 125 125 LEU CB C 125 42.301 42.301 41.719 0.582 25810 9198 1 18 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.768 -0.191 25810 9199 1 18 . 1 1 -7 -7 GLY N N -7 108.818 108.818 109.888 -1.070 25810 9200 1 18 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.949 0.235 25810 9201 1 18 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.804 -0.474 25810 9202 1 18 . 1 1 0 0 ASP N N 0 115.716 115.716 116.242 -0.526 25810 9203 1 18 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.547 -0.059 25810 9204 1 18 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.039 0.643 25810 9205 1 18 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.447 0.549 25810 9206 1 18 . 1 1 0 0 ASP H H 0 8.155 8.155 8.119 0.036 25810 9207 1 18 . 1 1 1 1 MET N N 1 121.815 121.815 122.020 -0.205 25810 9208 1 18 . 1 1 1 1 MET HA H 1 4.450 4.450 4.445 0.005 25810 9209 1 18 . 1 1 1 1 MET CA C 1 55.996 55.996 57.881 -1.885 25810 9210 1 18 . 1 1 1 1 MET CB C 1 32.334 32.334 31.887 0.447 25810 9211 1 18 . 1 1 1 1 MET H H 1 8.553 8.553 8.530 0.023 25810 9212 1 18 . 1 1 2 2 ASP N N 2 119.828 119.828 118.913 0.915 25810 9213 1 18 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.340 0.141 25810 9214 1 18 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.463 -1.340 25810 9215 1 18 . 1 1 2 2 ASP CB C 2 41.111 41.111 39.704 1.407 25810 9216 1 18 . 1 1 3 3 ASP N N 3 119.912 119.912 120.079 -0.167 25810 9217 1 18 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.467 0.009 25810 9218 1 18 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.810 -0.590 25810 9219 1 18 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.501 0.441 25810 9220 1 18 . 1 1 3 3 ASP H H 3 8.098 8.098 8.341 -0.243 25810 9221 1 18 . 1 1 4 4 ILE N N 4 120.617 120.617 120.451 0.166 25810 9222 1 18 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.614 0.233 25810 9223 1 18 . 1 1 4 4 ILE CA C 4 63.837 63.837 65.417 -1.580 25810 9224 1 18 . 1 1 4 4 ILE CB C 4 37.788 37.788 38.089 -0.301 25810 9225 1 18 . 1 1 4 4 ILE H H 4 7.897 7.897 7.647 0.250 25810 9226 1 18 . 1 1 5 5 TYR N N 5 121.116 121.116 119.019 2.097 25810 9227 1 18 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.061 0.247 25810 9228 1 18 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.788 -1.537 25810 9229 1 18 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.792 -0.203 25810 9230 1 18 . 1 1 5 5 TYR H H 5 7.961 7.961 8.128 -0.167 25810 9231 1 18 . 1 1 6 6 LYS N N 6 120.005 120.005 118.735 1.270 25810 9232 1 18 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.925 -0.002 25810 9233 1 18 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.228 0.316 25810 9234 1 18 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.023 0.332 25810 9235 1 18 . 1 1 6 6 LYS H H 6 8.008 8.008 8.489 -0.481 25810 9236 1 18 . 1 1 7 7 ALA N N 7 120.589 120.589 121.364 -0.775 25810 9237 1 18 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.115 0.039 25810 9238 1 18 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.945 -0.428 25810 9239 1 18 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.083 0.003 25810 9240 1 18 . 1 1 7 7 ALA H H 7 7.816 7.816 8.303 -0.487 25810 9241 1 18 . 1 1 8 8 ALA N N 8 120.065 120.065 121.045 -0.980 25810 9242 1 18 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.846 0.308 25810 9243 1 18 . 1 1 8 8 ALA CA C 8 54.698 54.698 55.031 -0.333 25810 9244 1 18 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.353 0.130 25810 9245 1 18 . 1 1 8 8 ALA H H 8 7.622 7.622 7.893 -0.271 25810 9246 1 18 . 1 1 9 9 VAL N N 9 118.101 118.101 119.572 -1.471 25810 9247 1 18 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.918 -0.359 25810 9248 1 18 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.277 -0.243 25810 9249 1 18 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.304 0.378 25810 9250 1 18 . 1 1 9 9 VAL H H 9 7.974 7.974 7.871 0.103 25810 9251 1 18 . 1 1 10 10 GLU N N 10 118.217 118.217 118.586 -0.369 25810 9252 1 18 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.031 0.096 25810 9253 1 18 . 1 1 10 10 GLU CA C 10 58.269 58.269 59.168 -0.899 25810 9254 1 18 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.617 -0.053 25810 9255 1 18 . 1 1 10 10 GLU H H 10 7.682 7.682 7.677 0.005 25810 9256 1 18 . 1 1 11 11 GLN N N 11 114.903 114.903 115.656 -0.753 25810 9257 1 18 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.275 0.048 25810 9258 1 18 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.925 -1.272 25810 9259 1 18 . 1 1 11 11 GLN CB C 11 29.447 29.447 30.177 -0.730 25810 9260 1 18 . 1 1 11 11 GLN H H 11 7.404 7.404 7.804 -0.400 25810 9261 1 18 . 1 1 12 12 LEU N N 12 120.467 120.467 120.470 -0.003 25810 9262 1 18 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.671 -0.089 25810 9263 1 18 . 1 1 12 12 LEU CA C 12 54.997 54.997 53.631 1.366 25810 9264 1 18 . 1 1 12 12 LEU CB C 12 43.566 43.566 43.671 -0.105 25810 9265 1 18 . 1 1 12 12 LEU H H 12 7.354 7.354 8.383 -1.029 25810 9266 1 18 . 1 1 13 13 THR N N 13 113.431 113.431 113.699 -0.268 25810 9267 1 18 . 1 1 13 13 THR HA H 13 4.462 4.462 4.391 0.071 25810 9268 1 18 . 1 1 13 13 THR CA C 13 60.759 60.759 60.654 0.105 25810 9269 1 18 . 1 1 13 13 THR CB C 13 71.101 71.101 70.134 0.967 25810 9270 1 18 . 1 1 13 13 THR H H 13 8.844 8.844 8.403 0.441 25810 9271 1 18 . 1 1 14 14 GLU N N 14 121.790 121.790 120.877 0.913 25810 9272 1 18 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.039 -0.076 25810 9273 1 18 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.561 -0.687 25810 9274 1 18 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.029 0.289 25810 9275 1 18 . 1 1 14 14 GLU H H 14 9.013 9.013 9.061 -0.048 25810 9276 1 18 . 1 1 15 15 GLU N N 15 117.495 117.495 117.947 -0.452 25810 9277 1 18 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.109 -0.049 25810 9278 1 18 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.473 0.859 25810 9279 1 18 . 1 1 15 15 GLU CB C 15 29.176 29.176 28.958 0.218 25810 9280 1 18 . 1 1 15 15 GLU H H 15 8.653 8.653 8.731 -0.078 25810 9281 1 18 . 1 1 16 16 GLN N N 16 119.205 119.205 118.863 0.342 25810 9282 1 18 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.146 -0.289 25810 9283 1 18 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.386 0.562 25810 9284 1 18 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.670 1.061 25810 9285 1 18 . 1 1 16 16 GLN H H 16 7.839 7.839 7.672 0.167 25810 9286 1 18 . 1 1 17 17 LYS N N 17 119.027 119.027 120.858 -1.831 25810 9287 1 18 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.056 -0.032 25810 9288 1 18 . 1 1 17 17 LYS CA C 17 61.688 61.688 60.019 1.669 25810 9289 1 18 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.416 -0.360 25810 9290 1 18 . 1 1 17 17 LYS H H 17 8.539 8.539 8.181 0.358 25810 9291 1 18 . 1 1 18 18 ASN N N 18 117.428 117.428 117.684 -0.256 25810 9292 1 18 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.497 0.065 25810 9293 1 18 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.516 -0.343 25810 9294 1 18 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.438 -0.634 25810 9295 1 18 . 1 1 18 18 ASN H H 18 8.552 8.552 8.187 0.365 25810 9296 1 18 . 1 1 19 19 GLU N N 19 123.611 123.611 120.629 2.982 25810 9297 1 18 . 1 1 19 19 GLU HA H 19 4.205 4.205 3.991 0.214 25810 9298 1 18 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.268 0.530 25810 9299 1 18 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.425 -0.019 25810 9300 1 18 . 1 1 19 19 GLU H H 19 8.012 8.012 7.760 0.252 25810 9301 1 18 . 1 1 20 20 PHE N N 20 117.357 117.357 119.598 -2.241 25810 9302 1 18 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.300 0.554 25810 9303 1 18 . 1 1 20 20 PHE CA C 20 60.733 60.733 62.088 -1.355 25810 9304 1 18 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.803 -0.481 25810 9305 1 18 . 1 1 20 20 PHE H H 20 8.320 8.320 8.541 -0.221 25810 9306 1 18 . 1 1 21 21 LYS N N 21 122.064 122.064 119.109 2.955 25810 9307 1 18 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.036 -0.011 25810 9308 1 18 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.869 -1.195 25810 9309 1 18 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.389 -0.705 25810 9310 1 18 . 1 1 21 21 LYS H H 21 8.864 8.864 8.454 0.410 25810 9311 1 18 . 1 1 22 22 ALA N N 22 121.827 121.827 120.963 0.864 25810 9312 1 18 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.278 -0.065 25810 9313 1 18 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.606 -0.875 25810 9314 1 18 . 1 1 22 22 ALA H H 22 8.009 8.009 7.646 0.363 25810 9315 1 18 . 1 1 23 23 ALA N N 23 119.945 119.945 121.525 -1.580 25810 9316 1 18 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.189 -0.060 25810 9317 1 18 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.813 0.526 25810 9318 1 18 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.344 0.642 25810 9319 1 18 . 1 1 23 23 ALA H H 23 8.178 8.178 7.996 0.182 25810 9320 1 18 . 1 1 24 24 PHE N N 24 121.275 121.275 118.460 2.815 25810 9321 1 18 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.791 -0.253 25810 9322 1 18 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.189 1.224 25810 9323 1 18 . 1 1 24 24 PHE CB C 24 39.741 39.741 38.965 0.776 25810 9324 1 18 . 1 1 24 24 PHE H H 24 8.925 8.925 8.135 0.790 25810 9325 1 18 . 1 1 25 25 ASP N N 25 117.407 117.407 119.397 -1.990 25810 9326 1 18 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.285 -0.021 25810 9327 1 18 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.576 -0.562 25810 9328 1 18 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.107 -0.210 25810 9329 1 18 . 1 1 25 25 ASP H H 25 8.714 8.714 7.948 0.766 25810 9330 1 18 . 1 1 26 26 ILE N N 26 119.320 119.320 119.697 -0.377 25810 9331 1 18 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.664 0.153 25810 9332 1 18 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.454 -1.040 25810 9333 1 18 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.005 -0.563 25810 9334 1 18 . 1 1 26 26 ILE H H 26 7.337 7.337 7.268 0.069 25810 9335 1 18 . 1 1 27 27 PHE N N 27 123.734 123.734 118.016 5.718 25810 9336 1 18 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.234 -0.658 25810 9337 1 18 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.566 2.052 25810 9338 1 18 . 1 1 27 27 PHE H H 27 8.139 8.139 7.751 0.388 25810 9339 1 18 . 1 1 28 28 VAL N N 28 105.007 105.007 117.708 -12.701 25810 9340 1 18 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.625 0.458 25810 9341 1 18 . 1 1 28 28 VAL CA C 28 61.156 61.156 63.974 -2.818 25810 9342 1 18 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.301 0.091 25810 9343 1 18 . 1 1 28 28 VAL H H 28 7.505 7.505 7.492 0.013 25810 9344 1 18 . 1 1 29 29 LEU N N 29 126.175 126.175 119.424 6.751 25810 9345 1 18 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.207 -0.112 25810 9346 1 18 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.426 1.070 25810 9347 1 18 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.903 -0.328 25810 9348 1 18 . 1 1 29 29 LEU H H 29 7.274 7.274 7.276 -0.002 25810 9349 1 18 . 1 1 30 30 GLY N N 30 113.173 113.173 107.980 5.193 25810 9350 1 18 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.255 0.285 25810 9351 1 18 . 1 1 30 30 GLY H H 30 8.950 8.950 8.792 0.158 25810 9352 1 18 . 1 1 31 31 ALA N N 31 124.109 124.109 123.102 1.007 25810 9353 1 18 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.586 -0.129 25810 9354 1 18 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.915 1.313 25810 9355 1 18 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.605 0.317 25810 9356 1 18 . 1 1 31 31 ALA H H 31 8.131 8.131 7.438 0.693 25810 9357 1 18 . 1 1 32 32 GLU N N 32 124.956 124.956 124.537 0.419 25810 9358 1 18 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.060 0.040 25810 9359 1 18 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.682 0.411 25810 9360 1 18 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.426 0.460 25810 9361 1 18 . 1 1 32 32 GLU H H 32 9.204 9.204 9.008 0.196 25810 9362 1 18 . 1 1 33 33 ASP N N 33 115.544 115.544 116.239 -0.695 25810 9363 1 18 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.555 0.210 25810 9364 1 18 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.601 -1.530 25810 9365 1 18 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.700 0.683 25810 9366 1 18 . 1 1 33 33 ASP H H 33 8.156 8.156 8.373 -0.217 25810 9367 1 18 . 1 1 34 34 GLY N N 34 105.580 105.580 107.798 -2.218 25810 9368 1 18 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.465 1.274 25810 9369 1 18 . 1 1 34 34 GLY H H 34 7.582 7.582 7.854 -0.272 25810 9370 1 18 . 1 1 35 35 SER N N 35 113.292 113.292 113.790 -0.498 25810 9371 1 18 . 1 1 35 35 SER HA H 35 4.960 4.960 4.720 0.240 25810 9372 1 18 . 1 1 35 35 SER CA C 35 57.390 57.390 56.063 1.327 25810 9373 1 18 . 1 1 35 35 SER CB C 35 66.240 66.240 65.523 0.716 25810 9374 1 18 . 1 1 35 35 SER H H 35 7.584 7.584 7.512 0.072 25810 9375 1 18 . 1 1 36 36 ILE N N 36 119.513 119.513 125.421 -5.908 25810 9376 1 18 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.216 -0.453 25810 9377 1 18 . 1 1 36 36 ILE CA C 36 63.288 63.288 60.443 2.845 25810 9378 1 18 . 1 1 36 36 ILE CB C 36 39.605 39.605 35.512 4.093 25810 9379 1 18 . 1 1 36 36 ILE H H 36 9.028 9.028 8.676 0.352 25810 9380 1 18 . 1 1 37 37 SER N N 37 126.146 126.146 123.027 3.119 25810 9381 1 18 . 1 1 37 37 SER HA H 37 5.198 5.198 4.668 0.530 25810 9382 1 18 . 1 1 37 37 SER CA C 37 57.010 57.010 57.714 -0.704 25810 9383 1 18 . 1 1 37 37 SER CB C 37 67.563 67.563 65.073 2.490 25810 9384 1 18 . 1 1 37 37 SER H H 37 9.571 9.571 8.310 1.261 25810 9385 1 18 . 1 1 38 38 THR N N 38 111.059 111.059 113.472 -2.413 25810 9386 1 18 . 1 1 38 38 THR HA H 38 4.514 4.514 4.118 0.396 25810 9387 1 18 . 1 1 38 38 THR CA C 38 66.653 66.653 65.678 0.975 25810 9388 1 18 . 1 1 38 38 THR CB C 38 68.362 68.362 68.405 -0.043 25810 9389 1 18 . 1 1 38 38 THR H H 38 8.794 8.794 8.599 0.195 25810 9390 1 18 . 1 1 39 39 LYS N N 39 123.369 123.369 121.894 1.475 25810 9391 1 18 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.026 0.030 25810 9392 1 18 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.535 0.231 25810 9393 1 18 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.179 0.024 25810 9394 1 18 . 1 1 39 39 LYS H H 39 8.044 8.044 7.828 0.216 25810 9395 1 18 . 1 1 40 40 GLU N N 40 119.970 119.970 119.745 0.225 25810 9396 1 18 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.041 0.133 25810 9397 1 18 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.322 1.950 25810 9398 1 18 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.450 0.742 25810 9399 1 18 . 1 1 40 40 GLU H H 40 7.714 7.714 7.617 0.097 25810 9400 1 18 . 1 1 41 41 LEU N N 41 119.088 119.088 120.136 -1.048 25810 9401 1 18 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.196 0.053 25810 9402 1 18 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.918 -0.047 25810 9403 1 18 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.081 1.155 25810 9404 1 18 . 1 1 41 41 LEU H H 41 8.375 8.375 7.955 0.420 25810 9405 1 18 . 1 1 42 42 GLY N N 42 106.311 106.311 106.955 -0.644 25810 9406 1 18 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.253 0.978 25810 9407 1 18 . 1 1 42 42 GLY H H 42 8.581 8.581 8.105 0.476 25810 9408 1 18 . 1 1 43 43 LYS N N 43 120.717 120.717 122.400 -1.683 25810 9409 1 18 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.002 -0.031 25810 9410 1 18 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.387 0.653 25810 9411 1 18 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.420 -0.027 25810 9412 1 18 . 1 1 43 43 LYS H H 43 7.293 7.293 7.596 -0.303 25810 9413 1 18 . 1 1 44 44 VAL N N 44 119.884 119.884 120.968 -1.084 25810 9414 1 18 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.597 0.044 25810 9415 1 18 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.696 -0.252 25810 9416 1 18 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.877 0.179 25810 9417 1 18 . 1 1 44 44 VAL H H 44 7.560 7.560 8.138 -0.578 25810 9418 1 18 . 1 1 45 45 MET N N 45 117.256 117.256 118.064 -0.808 25810 9419 1 18 . 1 1 45 45 MET HA H 45 4.179 4.179 4.121 0.058 25810 9420 1 18 . 1 1 45 45 MET CA C 45 57.934 57.934 57.996 -0.062 25810 9421 1 18 . 1 1 45 45 MET CB C 45 31.407 31.407 31.413 -0.006 25810 9422 1 18 . 1 1 45 45 MET H H 45 8.575 8.575 8.442 0.133 25810 9423 1 18 . 1 1 46 46 ARG N N 46 118.652 118.652 119.620 -0.968 25810 9424 1 18 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.175 0.419 25810 9425 1 18 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.405 0.018 25810 9426 1 18 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.160 -0.300 25810 9427 1 18 . 1 1 46 46 ARG H H 46 8.080 8.080 7.702 0.378 25810 9428 1 18 . 1 1 47 47 MET N N 47 122.632 122.632 119.358 3.274 25810 9429 1 18 . 1 1 47 47 MET HA H 47 4.179 4.179 4.157 0.022 25810 9430 1 18 . 1 1 47 47 MET CA C 47 59.178 59.178 58.880 0.298 25810 9431 1 18 . 1 1 47 47 MET CB C 47 32.669 32.669 32.520 0.149 25810 9432 1 18 . 1 1 47 47 MET H H 47 7.864 7.864 7.669 0.195 25810 9433 1 18 . 1 1 48 48 LEU N N 48 117.884 117.884 117.269 0.615 25810 9434 1 18 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.252 0.110 25810 9435 1 18 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.613 -1.075 25810 9436 1 18 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.368 -0.550 25810 9437 1 18 . 1 1 48 48 LEU H H 48 7.485 7.485 7.758 -0.273 25810 9438 1 18 . 1 1 49 49 GLY N N 49 107.912 107.912 105.940 1.972 25810 9439 1 18 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.863 1.100 25810 9440 1 18 . 1 1 49 49 GLY H H 49 7.884 7.884 7.795 0.089 25810 9441 1 18 . 1 1 50 50 GLN N N 50 117.606 117.606 119.632 -2.026 25810 9442 1 18 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.598 -0.097 25810 9443 1 18 . 1 1 50 50 GLN CA C 50 53.392 53.392 53.661 -0.269 25810 9444 1 18 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.488 -0.715 25810 9445 1 18 . 1 1 50 50 GLN H H 50 8.096 8.096 8.049 0.047 25810 9446 1 18 . 1 1 51 51 ASN N N 51 116.663 116.663 120.052 -3.389 25810 9447 1 18 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.027 0.095 25810 9448 1 18 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.409 0.821 25810 9449 1 18 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.880 -0.734 25810 9450 1 18 . 1 1 51 51 ASN H H 51 8.693 8.693 8.547 0.146 25810 9451 1 18 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.523 0.166 25810 9452 1 18 . 1 1 53 53 THR N N 53 113.865 113.865 114.547 -0.682 25810 9453 1 18 . 1 1 53 53 THR H H 53 8.985 8.985 8.561 0.424 25810 9454 1 18 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.115 0.071 25810 9455 1 18 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.826 0.436 25810 9456 1 18 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.720 0.170 25810 9457 1 18 . 1 1 55 55 GLU N N 55 117.475 117.475 116.582 0.893 25810 9458 1 18 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.112 -0.068 25810 9459 1 18 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.614 1.001 25810 9460 1 18 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.300 -0.565 25810 9461 1 18 . 1 1 55 55 GLU H H 55 8.785 8.785 8.832 -0.047 25810 9462 1 18 . 1 1 56 56 GLU N N 56 121.699 121.699 120.029 1.670 25810 9463 1 18 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.040 -0.016 25810 9464 1 18 . 1 1 56 56 GLU CA C 56 59.255 59.255 59.380 -0.125 25810 9465 1 18 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.673 0.423 25810 9466 1 18 . 1 1 56 56 GLU H H 56 7.815 7.815 7.589 0.226 25810 9467 1 18 . 1 1 57 57 LEU N N 57 118.421 118.421 117.257 1.164 25810 9468 1 18 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.181 -0.168 25810 9469 1 18 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.577 -2.015 25810 9470 1 18 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.127 1.605 25810 9471 1 18 . 1 1 57 57 LEU H H 57 8.246 8.246 7.614 0.632 25810 9472 1 18 . 1 1 58 58 GLN N N 58 118.349 118.349 119.981 -1.632 25810 9473 1 18 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.851 -0.154 25810 9474 1 18 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.421 -1.084 25810 9475 1 18 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.644 -0.076 25810 9476 1 18 . 1 1 58 58 GLN H H 58 8.003 8.003 8.321 -0.318 25810 9477 1 18 . 1 1 59 59 GLU N N 59 119.049 119.049 120.289 -1.240 25810 9478 1 18 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.063 0.034 25810 9479 1 18 . 1 1 59 59 GLU CA C 59 59.641 59.641 58.978 0.663 25810 9480 1 18 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.166 0.455 25810 9481 1 18 . 1 1 59 59 GLU H H 59 7.979 7.979 8.273 -0.294 25810 9482 1 18 . 1 1 60 60 MET N N 60 117.492 117.492 120.240 -2.748 25810 9483 1 18 . 1 1 60 60 MET HA H 60 4.083 4.083 4.154 -0.071 25810 9484 1 18 . 1 1 60 60 MET CA C 60 59.764 59.764 59.324 0.440 25810 9485 1 18 . 1 1 60 60 MET CB C 60 34.533 34.533 32.660 1.873 25810 9486 1 18 . 1 1 60 60 MET H H 60 7.776 7.776 7.648 0.128 25810 9487 1 18 . 1 1 61 61 ILE N N 61 118.035 118.035 119.387 -1.352 25810 9488 1 18 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.581 0.136 25810 9489 1 18 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.470 -2.357 25810 9490 1 18 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.673 -1.383 25810 9491 1 18 . 1 1 61 61 ILE H H 61 7.564 7.564 8.039 -0.475 25810 9492 1 18 . 1 1 62 62 ASP N N 62 119.355 119.355 120.144 -0.789 25810 9493 1 18 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.368 -0.021 25810 9494 1 18 . 1 1 62 62 ASP CA C 62 57.676 57.676 56.963 0.713 25810 9495 1 18 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.718 -0.366 25810 9496 1 18 . 1 1 62 62 ASP H H 62 8.801 8.801 7.986 0.815 25810 9497 1 18 . 1 1 63 63 GLU N N 63 116.439 116.439 118.354 -1.915 25810 9498 1 18 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.114 -0.051 25810 9499 1 18 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.768 0.053 25810 9500 1 18 . 1 1 63 63 GLU CB C 63 30.124 30.124 30.239 -0.115 25810 9501 1 18 . 1 1 63 63 GLU H H 63 7.702 7.702 8.233 -0.531 25810 9502 1 18 . 1 1 64 64 VAL N N 64 112.796 112.796 112.510 0.286 25810 9503 1 18 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.982 0.212 25810 9504 1 18 . 1 1 64 64 VAL CA C 64 61.611 61.611 63.024 -1.413 25810 9505 1 18 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.858 0.807 25810 9506 1 18 . 1 1 64 64 VAL H H 64 7.151 7.151 7.613 -0.462 25810 9507 1 18 . 1 1 65 65 ASP N N 65 121.138 121.138 120.861 0.277 25810 9508 1 18 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.383 0.127 25810 9509 1 18 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.820 -2.255 25810 9510 1 18 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.223 -0.206 25810 9511 1 18 . 1 1 65 65 ASP H H 65 7.866 7.866 7.634 0.232 25810 9512 1 18 . 1 1 66 66 GLU N N 66 128.324 128.324 126.269 2.055 25810 9513 1 18 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.227 -0.033 25810 9514 1 18 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.421 0.031 25810 9515 1 18 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.668 0.445 25810 9516 1 18 . 1 1 66 66 GLU H H 66 8.187 8.187 8.314 -0.127 25810 9517 1 18 . 1 1 67 67 ASP N N 67 114.662 114.662 115.492 -0.830 25810 9518 1 18 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.685 0.005 25810 9519 1 18 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.324 -0.564 25810 9520 1 18 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.473 -0.119 25810 9521 1 18 . 1 1 67 67 ASP H H 67 8.111 8.111 8.099 0.012 25810 9522 1 18 . 1 1 68 68 GLY N N 68 109.084 109.084 108.476 0.608 25810 9523 1 18 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.196 0.940 25810 9524 1 18 . 1 1 68 68 GLY H H 68 7.771 7.771 7.780 -0.009 25810 9525 1 18 . 1 1 69 69 SER N N 69 117.283 117.283 117.197 0.086 25810 9526 1 18 . 1 1 69 69 SER HA H 69 4.217 4.217 4.329 -0.112 25810 9527 1 18 . 1 1 69 69 SER CA C 69 60.270 60.270 59.013 1.257 25810 9528 1 18 . 1 1 69 69 SER CB C 69 64.648 64.648 63.918 0.730 25810 9529 1 18 . 1 1 69 69 SER H H 69 8.632 8.632 8.834 -0.202 25810 9530 1 18 . 1 1 70 70 GLY N N 70 116.242 116.242 111.295 4.947 25810 9531 1 18 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.402 0.086 25810 9532 1 18 . 1 1 70 70 GLY H H 70 10.710 10.710 9.297 1.413 25810 9533 1 18 . 1 1 71 71 THR N N 71 106.843 106.843 111.109 -4.266 25810 9534 1 18 . 1 1 71 71 THR HA H 71 4.941 4.941 4.775 0.166 25810 9535 1 18 . 1 1 71 71 THR CA C 71 58.422 58.422 59.647 -1.224 25810 9536 1 18 . 1 1 71 71 THR CB C 71 73.822 73.822 72.698 1.124 25810 9537 1 18 . 1 1 71 71 THR H H 71 7.551 7.551 7.450 0.101 25810 9538 1 18 . 1 1 72 72 VAL N N 72 127.231 127.231 115.861 11.370 25810 9539 1 18 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.903 0.171 25810 9540 1 18 . 1 1 72 72 VAL CA C 72 61.797 61.797 59.891 1.906 25810 9541 1 18 . 1 1 72 72 VAL CB C 72 33.925 33.925 33.443 0.482 25810 9542 1 18 . 1 1 72 72 VAL H H 72 9.690 9.690 8.158 1.532 25810 9543 1 18 . 1 1 73 73 ASP N N 73 129.232 129.232 128.884 0.348 25810 9544 1 18 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.862 0.230 25810 9545 1 18 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.941 -1.560 25810 9546 1 18 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.144 -0.103 25810 9547 1 18 . 1 1 73 73 ASP H H 73 8.828 8.828 8.209 0.619 25810 9548 1 18 . 1 1 74 74 PHE N N 74 118.313 118.313 120.213 -1.900 25810 9549 1 18 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.870 -0.589 25810 9550 1 18 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.079 -0.710 25810 9551 1 18 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.469 -0.879 25810 9552 1 18 . 1 1 74 74 PHE H H 74 8.496 8.496 8.784 -0.288 25810 9553 1 18 . 1 1 75 75 ASP N N 75 117.592 117.592 116.871 0.721 25810 9554 1 18 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.312 -0.388 25810 9555 1 18 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.390 0.467 25810 9556 1 18 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.223 0.761 25810 9557 1 18 . 1 1 75 75 ASP H H 75 7.708 7.708 9.001 -1.293 25810 9558 1 18 . 1 1 76 76 GLU N N 76 120.100 120.100 119.815 0.285 25810 9559 1 18 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.030 -0.111 25810 9560 1 18 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.074 -0.664 25810 9561 1 18 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.305 0.922 25810 9562 1 18 . 1 1 76 76 GLU H H 76 8.267 8.267 8.340 -0.073 25810 9563 1 18 . 1 1 77 77 PHE N N 77 122.101 122.101 120.967 1.134 25810 9564 1 18 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.082 -0.391 25810 9565 1 18 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.194 -0.278 25810 9566 1 18 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.145 0.925 25810 9567 1 18 . 1 1 77 77 PHE H H 77 8.760 8.760 8.494 0.266 25810 9568 1 18 . 1 1 78 78 LEU N N 78 120.110 120.110 119.866 0.244 25810 9569 1 18 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.507 -0.280 25810 9570 1 18 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.320 -0.205 25810 9571 1 18 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.536 0.074 25810 9572 1 18 . 1 1 78 78 LEU H H 78 8.404 8.404 7.560 0.844 25810 9573 1 18 . 1 1 79 79 VAL N N 79 116.259 116.259 118.168 -1.909 25810 9574 1 18 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.406 -0.199 25810 9575 1 18 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.133 0.496 25810 9576 1 18 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.923 -0.486 25810 9577 1 18 . 1 1 79 79 VAL H H 79 7.132 7.132 7.597 -0.465 25810 9578 1 18 . 1 1 80 80 MET N N 80 118.429 118.429 117.730 0.699 25810 9579 1 18 . 1 1 80 80 MET HA H 80 3.810 3.810 3.990 -0.180 25810 9580 1 18 . 1 1 80 80 MET CA C 80 57.828 57.828 57.703 0.125 25810 9581 1 18 . 1 1 80 80 MET CB C 80 31.114 31.114 31.435 -0.321 25810 9582 1 18 . 1 1 80 80 MET H H 80 7.191 7.191 7.729 -0.538 25810 9583 1 18 . 1 1 81 81 MET H H 81 8.104 8.104 7.309 0.795 25810 9584 1 18 . 1 1 86 86 LYS N N 86 118.058 118.058 122.611 -4.553 25810 9585 1 18 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.025 0.275 25810 9586 1 18 . 1 1 86 86 LYS CA C 86 57.398 57.398 58.921 -1.523 25810 9587 1 18 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.662 0.184 25810 9588 1 18 . 1 1 86 86 LYS H H 86 7.750 7.750 8.154 -0.404 25810 9589 1 18 . 1 1 87 87 ASP N N 87 120.199 120.199 118.669 1.530 25810 9590 1 18 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.261 0.397 25810 9591 1 18 . 1 1 87 87 ASP CA C 87 55.117 55.117 58.789 -3.672 25810 9592 1 18 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.599 0.777 25810 9593 1 18 . 1 1 87 87 ASP H H 87 8.102 8.102 8.062 0.040 25810 9594 1 18 . 1 1 88 88 ASP N N 88 121.497 121.497 117.992 3.505 25810 9595 1 18 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.363 0.327 25810 9596 1 18 . 1 1 88 88 ASP CA C 88 54.666 54.666 57.468 -2.802 25810 9597 1 18 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.429 0.728 25810 9598 1 18 . 1 1 88 88 ASP H H 88 8.363 8.363 8.535 -0.172 25810 9599 1 18 . 1 1 89 89 SER N N 89 115.602 115.602 114.815 0.787 25810 9600 1 18 . 1 1 89 89 SER HA H 89 4.347 4.347 4.228 0.119 25810 9601 1 18 . 1 1 89 89 SER CA C 89 59.571 59.571 61.104 -1.533 25810 9602 1 18 . 1 1 89 89 SER CB C 89 63.999 63.999 63.388 0.611 25810 9603 1 18 . 1 1 89 89 SER H H 89 8.251 8.251 7.825 0.426 25810 9604 1 18 . 1 1 90 90 GLU N N 90 121.265 121.265 121.928 -0.663 25810 9605 1 18 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.131 0.099 25810 9606 1 18 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.678 -1.626 25810 9607 1 18 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.869 -0.059 25810 9608 1 18 . 1 1 90 90 GLU H H 90 8.331 8.331 7.846 0.485 25810 9609 1 18 . 1 1 91 91 ASN N N 91 118.544 118.544 115.333 3.211 25810 9610 1 18 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.668 -0.013 25810 9611 1 18 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.527 -0.066 25810 9612 1 18 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.396 -0.188 25810 9613 1 18 . 1 1 91 91 ASN H H 91 8.131 8.131 7.616 0.515 25810 9614 1 18 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.444 -0.451 25810 9615 1 18 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.348 1.063 25810 9616 1 18 . 1 1 95 95 GLN CB C 95 29.282 29.282 30.852 -1.570 25810 9617 1 18 . 1 1 96 96 GLY N N 96 109.372 109.372 110.705 -1.333 25810 9618 1 18 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.348 0.340 25810 9619 1 18 . 1 1 96 96 GLY H H 96 8.110 8.110 8.413 -0.303 25810 9620 1 18 . 1 1 97 97 ARG N N 97 120.154 120.154 122.206 -2.052 25810 9621 1 18 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.462 0.005 25810 9622 1 18 . 1 1 97 97 ARG CA C 97 55.566 55.566 55.618 -0.052 25810 9623 1 18 . 1 1 97 97 ARG CB C 97 31.505 31.505 31.422 0.083 25810 9624 1 18 . 1 1 97 97 ARG H H 97 7.966 7.966 8.595 -0.629 25810 9625 1 18 . 1 1 99 99 VAL HA H 99 4.142 4.142 3.645 0.497 25810 9626 1 18 . 1 1 99 99 VAL CA C 99 62.039 62.039 63.661 -1.622 25810 9627 1 18 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.182 -1.307 25810 9628 1 18 . 1 1 100 100 ARG N N 100 125.661 125.661 117.245 8.416 25810 9629 1 18 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.391 0.110 25810 9630 1 18 . 1 1 100 100 ARG CA C 100 55.557 55.557 55.920 -0.363 25810 9631 1 18 . 1 1 100 100 ARG H H 100 8.379 8.379 8.193 0.186 25810 9632 1 18 . 1 1 102 102 SER HA H 102 4.356 4.356 4.463 -0.107 25810 9633 1 18 . 1 1 102 102 SER CA C 102 57.361 57.361 57.386 -0.025 25810 9634 1 18 . 1 1 102 102 SER CB C 102 65.237 65.237 65.124 0.113 25810 9635 1 18 . 1 1 103 103 ALA N N 103 125.468 125.468 130.502 -5.034 25810 9636 1 18 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.103 -0.092 25810 9637 1 18 . 1 1 103 103 ALA CA C 103 55.985 55.985 54.618 1.367 25810 9638 1 18 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.805 -0.212 25810 9639 1 18 . 1 1 103 103 ALA H H 103 9.148 9.148 8.824 0.324 25810 9640 1 18 . 1 1 104 104 ASP N N 104 115.217 115.217 119.292 -4.075 25810 9641 1 18 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.262 0.046 25810 9642 1 18 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.688 -0.382 25810 9643 1 18 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.468 0.510 25810 9644 1 18 . 1 1 104 104 ASP H H 104 8.517 8.517 8.023 0.494 25810 9645 1 18 . 1 1 105 105 ALA N N 105 122.884 122.884 121.867 1.017 25810 9646 1 18 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.133 -0.053 25810 9647 1 18 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.809 0.295 25810 9648 1 18 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.472 -0.135 25810 9649 1 18 . 1 1 105 105 ALA H H 105 7.953 7.953 7.780 0.173 25810 9650 1 18 . 1 1 106 106 MET N N 106 118.710 118.710 119.268 -0.558 25810 9651 1 18 . 1 1 106 106 MET HA H 106 3.987 3.987 4.039 -0.052 25810 9652 1 18 . 1 1 106 106 MET CA C 106 59.704 59.704 58.983 0.721 25810 9653 1 18 . 1 1 106 106 MET CB C 106 33.450 33.450 32.741 0.709 25810 9654 1 18 . 1 1 106 106 MET H H 106 8.186 8.186 7.670 0.515 25810 9655 1 18 . 1 1 107 107 MET N N 107 116.864 116.864 118.949 -2.085 25810 9656 1 18 . 1 1 107 107 MET HA H 107 4.446 4.446 3.913 0.533 25810 9657 1 18 . 1 1 107 107 MET CA C 107 57.649 57.649 59.337 -1.688 25810 9658 1 18 . 1 1 107 107 MET CB C 107 31.359 31.359 32.288 -0.929 25810 9659 1 18 . 1 1 107 107 MET H H 107 8.483 8.483 8.336 0.147 25810 9660 1 18 . 1 1 108 108 GLN N N 108 117.959 117.959 118.257 -0.298 25810 9661 1 18 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.898 0.111 25810 9662 1 18 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.934 0.052 25810 9663 1 18 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.558 -0.038 25810 9664 1 18 . 1 1 108 108 GLN H H 108 8.359 8.359 7.892 0.467 25810 9665 1 18 . 1 1 109 109 ALA N N 109 121.657 121.657 122.836 -1.179 25810 9666 1 18 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.026 0.113 25810 9667 1 18 . 1 1 109 109 ALA CA C 109 54.765 54.765 55.195 -0.430 25810 9668 1 18 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.460 -0.022 25810 9669 1 18 . 1 1 109 109 ALA H H 109 7.855 7.855 8.248 -0.393 25810 9670 1 18 . 1 1 110 110 LEU N N 110 116.183 116.183 119.302 -3.119 25810 9671 1 18 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.037 0.088 25810 9672 1 18 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.878 -0.446 25810 9673 1 18 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.094 0.538 25810 9674 1 18 . 1 1 110 110 LEU H H 110 7.933 7.933 8.032 -0.099 25810 9675 1 18 . 1 1 111 111 LEU CA C 111 55.610 55.610 56.730 -1.121 25810 9676 1 18 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.684 0.207 25810 9677 1 18 . 1 1 112 112 GLY N N 112 109.198 109.198 105.009 4.189 25810 9678 1 18 . 1 1 112 112 GLY CA C 112 46.067 46.067 46.132 -0.065 25810 9679 1 18 . 1 1 112 112 GLY H H 112 7.928 7.928 8.206 -0.278 25810 9680 1 18 . 1 1 113 113 ALA N N 113 124.374 124.374 124.070 0.304 25810 9681 1 18 . 1 1 113 113 ALA HA H 113 4.263 4.263 3.797 0.466 25810 9682 1 18 . 1 1 113 113 ALA CA C 113 53.404 53.404 54.366 -0.962 25810 9683 1 18 . 1 1 113 113 ALA CB C 113 18.713 18.713 17.046 1.667 25810 9684 1 18 . 1 1 113 113 ALA H H 113 8.211 8.211 8.093 0.118 25810 9685 1 18 . 1 1 114 114 ARG N N 114 117.947 117.947 122.780 -4.833 25810 9686 1 18 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.468 -0.221 25810 9687 1 18 . 1 1 114 114 ARG CA C 114 56.568 56.568 55.163 1.405 25810 9688 1 18 . 1 1 114 114 ARG CB C 114 30.389 30.389 31.297 -0.908 25810 9689 1 18 . 1 1 114 114 ARG H H 114 7.974 7.974 8.601 -0.627 25810 9690 1 18 . 1 1 115 115 ALA N N 115 123.079 123.079 122.464 0.615 25810 9691 1 18 . 1 1 115 115 ALA HA H 115 4.216 4.216 3.981 0.235 25810 9692 1 18 . 1 1 115 115 ALA CA C 115 52.783 52.783 53.173 -0.390 25810 9693 1 18 . 1 1 115 115 ALA CB C 115 18.915 18.915 18.561 0.354 25810 9694 1 18 . 1 1 115 115 ALA H H 115 7.969 7.969 7.938 0.031 25810 9695 1 18 . 1 1 116 116 LYS N N 116 120.562 120.562 119.872 0.690 25810 9696 1 18 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.541 -0.302 25810 9697 1 18 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.019 1.402 25810 9698 1 18 . 1 1 116 116 LYS CB C 116 33.373 33.373 33.424 -0.051 25810 9699 1 18 . 1 1 116 116 LYS H H 116 8.310 8.310 8.229 0.081 25810 9700 1 18 . 1 1 117 117 GLU N N 117 121.115 121.115 122.618 -1.503 25810 9701 1 18 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.515 -0.256 25810 9702 1 18 . 1 1 117 117 GLU CA C 117 57.347 57.347 56.919 0.428 25810 9703 1 18 . 1 1 117 117 GLU CB C 117 30.037 30.037 30.001 0.036 25810 9704 1 18 . 1 1 117 117 GLU H H 117 8.646 8.646 8.860 -0.214 25810 9705 1 18 . 1 1 118 118 SER N N 118 115.616 115.616 115.620 -0.004 25810 9706 1 18 . 1 1 118 118 SER HA H 118 4.322 4.322 4.427 -0.105 25810 9707 1 18 . 1 1 118 118 SER CA C 118 59.082 59.082 59.456 -0.374 25810 9708 1 18 . 1 1 118 118 SER CB C 118 63.624 63.624 63.854 -0.230 25810 9709 1 18 . 1 1 118 118 SER H H 118 8.346 8.346 8.339 0.007 25810 9710 1 18 . 1 1 119 119 LEU N N 119 122.984 122.984 120.515 2.469 25810 9711 1 18 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.565 -0.257 25810 9712 1 18 . 1 1 119 119 LEU CA C 119 55.503 55.503 54.967 0.536 25810 9713 1 18 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.818 -0.557 25810 9714 1 18 . 1 1 119 119 LEU H H 119 7.970 7.970 7.566 0.404 25810 9715 1 18 . 1 1 120 120 ASP N N 120 120.516 120.516 118.456 2.060 25810 9716 1 18 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.320 0.290 25810 9717 1 18 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.312 0.140 25810 9718 1 18 . 1 1 120 120 ASP CB C 120 41.020 41.020 39.952 1.068 25810 9719 1 18 . 1 1 120 120 ASP H H 120 8.149 8.149 8.269 -0.120 25810 9720 1 18 . 1 1 121 121 LEU N N 121 122.598 122.598 120.300 2.298 25810 9721 1 18 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.176 0.099 25810 9722 1 18 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.914 1.107 25810 9723 1 18 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.205 -0.151 25810 9724 1 18 . 1 1 121 121 LEU H H 121 8.111 8.111 7.910 0.201 25810 9725 1 18 . 1 1 122 122 ARG N N 122 119.425 119.425 120.221 -0.796 25810 9726 1 18 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.160 0.087 25810 9727 1 18 . 1 1 122 122 ARG CA C 122 56.615 56.615 55.867 0.748 25810 9728 1 18 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.360 0.076 25810 9729 1 18 . 1 1 122 122 ARG H H 122 8.131 8.131 8.263 -0.132 25810 9730 1 18 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.509 1.635 25810 9731 1 18 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.527 -0.404 25810 9732 1 18 . 1 1 124 124 HIS N N 124 117.075 117.075 115.713 1.362 25810 9733 1 18 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.502 -0.404 25810 9734 1 18 . 1 1 124 124 HIS CB C 124 30.425 30.425 28.753 1.672 25810 9735 1 18 . 1 1 124 124 HIS H H 124 8.185 8.185 8.413 -0.228 25810 9736 1 18 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.703 -0.349 25810 9737 1 18 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.053 1.204 25810 9738 1 18 . 1 1 125 125 LEU CB C 125 42.301 42.301 44.932 -2.631 25810 9739 1 19 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.554 0.023 25810 9740 1 19 . 1 1 -7 -7 GLY N N -7 108.818 108.818 109.525 -0.707 25810 9741 1 19 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 45.556 -0.372 25810 9742 1 19 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.380 -0.050 25810 9743 1 19 . 1 1 0 0 ASP N N 0 115.716 115.716 113.873 1.843 25810 9744 1 19 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.322 0.166 25810 9745 1 19 . 1 1 0 0 ASP CA C 0 58.683 58.683 58.268 0.415 25810 9746 1 19 . 1 1 0 0 ASP CB C 0 63.996 63.996 63.203 0.793 25810 9747 1 19 . 1 1 0 0 ASP H H 0 8.155 8.155 8.343 -0.188 25810 9748 1 19 . 1 1 1 1 MET N N 1 121.815 121.815 121.623 0.192 25810 9749 1 19 . 1 1 1 1 MET HA H 1 4.450 4.450 4.180 0.270 25810 9750 1 19 . 1 1 1 1 MET CA C 1 55.996 55.996 58.213 -2.217 25810 9751 1 19 . 1 1 1 1 MET CB C 1 32.334 32.334 32.018 0.316 25810 9752 1 19 . 1 1 1 1 MET H H 1 8.553 8.553 8.221 0.332 25810 9753 1 19 . 1 1 2 2 ASP N N 2 119.828 119.828 117.975 1.853 25810 9754 1 19 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.339 0.142 25810 9755 1 19 . 1 1 2 2 ASP CA C 2 56.123 56.123 58.379 -2.256 25810 9756 1 19 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.520 0.591 25810 9757 1 19 . 1 1 3 3 ASP N N 3 119.912 119.912 120.719 -0.807 25810 9758 1 19 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.449 0.027 25810 9759 1 19 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.856 -0.636 25810 9760 1 19 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.611 0.331 25810 9761 1 19 . 1 1 3 3 ASP H H 3 8.098 8.098 8.205 -0.107 25810 9762 1 19 . 1 1 4 4 ILE N N 4 120.617 120.617 120.275 0.342 25810 9763 1 19 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.633 0.214 25810 9764 1 19 . 1 1 4 4 ILE CA C 4 63.837 63.837 65.081 -1.244 25810 9765 1 19 . 1 1 4 4 ILE CB C 4 37.788 37.788 38.001 -0.213 25810 9766 1 19 . 1 1 4 4 ILE H H 4 7.897 7.897 7.617 0.280 25810 9767 1 19 . 1 1 5 5 TYR N N 5 121.116 121.116 121.171 -0.055 25810 9768 1 19 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.941 0.367 25810 9769 1 19 . 1 1 5 5 TYR CA C 5 60.251 60.251 62.154 -1.903 25810 9770 1 19 . 1 1 5 5 TYR CB C 5 37.589 37.589 38.260 -0.671 25810 9771 1 19 . 1 1 5 5 TYR H H 5 7.961 7.961 8.287 -0.326 25810 9772 1 19 . 1 1 6 6 LYS N N 6 120.005 120.005 118.706 1.299 25810 9773 1 19 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.672 0.251 25810 9774 1 19 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.597 -0.053 25810 9775 1 19 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.208 0.147 25810 9776 1 19 . 1 1 6 6 LYS H H 6 8.008 8.008 8.471 -0.463 25810 9777 1 19 . 1 1 7 7 ALA N N 7 120.589 120.589 121.290 -0.701 25810 9778 1 19 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.088 0.066 25810 9779 1 19 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.771 -0.254 25810 9780 1 19 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.025 0.061 25810 9781 1 19 . 1 1 7 7 ALA H H 7 7.816 7.816 7.842 -0.026 25810 9782 1 19 . 1 1 8 8 ALA N N 8 120.065 120.065 121.854 -1.789 25810 9783 1 19 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.948 0.206 25810 9784 1 19 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.979 -0.281 25810 9785 1 19 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.037 0.446 25810 9786 1 19 . 1 1 8 8 ALA H H 8 7.622 7.622 7.919 -0.297 25810 9787 1 19 . 1 1 9 9 VAL N N 9 118.101 118.101 117.403 0.698 25810 9788 1 19 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.506 0.053 25810 9789 1 19 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.411 0.623 25810 9790 1 19 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.615 0.067 25810 9791 1 19 . 1 1 9 9 VAL H H 9 7.974 7.974 7.548 0.426 25810 9792 1 19 . 1 1 10 10 GLU N N 10 118.217 118.217 118.395 -0.178 25810 9793 1 19 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.004 0.123 25810 9794 1 19 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.623 -0.354 25810 9795 1 19 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.568 -0.004 25810 9796 1 19 . 1 1 10 10 GLU H H 10 7.682 7.682 7.526 0.156 25810 9797 1 19 . 1 1 11 11 GLN N N 11 114.903 114.903 116.205 -1.302 25810 9798 1 19 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.224 0.099 25810 9799 1 19 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.687 -1.034 25810 9800 1 19 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.779 -0.332 25810 9801 1 19 . 1 1 11 11 GLN H H 11 7.404 7.404 7.733 -0.329 25810 9802 1 19 . 1 1 12 12 LEU N N 12 120.467 120.467 121.609 -1.142 25810 9803 1 19 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.275 0.307 25810 9804 1 19 . 1 1 12 12 LEU CA C 12 54.997 54.997 55.171 -0.174 25810 9805 1 19 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.516 1.050 25810 9806 1 19 . 1 1 12 12 LEU H H 12 7.354 7.354 8.168 -0.814 25810 9807 1 19 . 1 1 13 13 THR N N 13 113.431 113.431 110.838 2.593 25810 9808 1 19 . 1 1 13 13 THR HA H 13 4.462 4.462 4.526 -0.064 25810 9809 1 19 . 1 1 13 13 THR CA C 13 60.759 60.759 59.747 1.012 25810 9810 1 19 . 1 1 13 13 THR CB C 13 71.101 71.101 70.790 0.311 25810 9811 1 19 . 1 1 13 13 THR H H 13 8.844 8.844 7.704 1.140 25810 9812 1 19 . 1 1 14 14 GLU N N 14 121.790 121.790 121.108 0.682 25810 9813 1 19 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.986 -0.023 25810 9814 1 19 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.233 -0.358 25810 9815 1 19 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.600 -0.282 25810 9816 1 19 . 1 1 14 14 GLU H H 14 9.013 9.013 8.933 0.080 25810 9817 1 19 . 1 1 15 15 GLU N N 15 117.495 117.495 118.251 -0.756 25810 9818 1 19 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.031 0.029 25810 9819 1 19 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.574 0.758 25810 9820 1 19 . 1 1 15 15 GLU CB C 15 29.176 29.176 28.921 0.255 25810 9821 1 19 . 1 1 15 15 GLU H H 15 8.653 8.653 8.629 0.024 25810 9822 1 19 . 1 1 16 16 GLN N N 16 119.205 119.205 118.302 0.903 25810 9823 1 19 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.054 -0.197 25810 9824 1 19 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.396 0.552 25810 9825 1 19 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.495 1.236 25810 9826 1 19 . 1 1 16 16 GLN H H 16 7.839 7.839 7.601 0.238 25810 9827 1 19 . 1 1 17 17 LYS N N 17 119.027 119.027 120.648 -1.621 25810 9828 1 19 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.199 -0.175 25810 9829 1 19 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.533 2.155 25810 9830 1 19 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.317 -0.261 25810 9831 1 19 . 1 1 17 17 LYS H H 17 8.539 8.539 7.777 0.762 25810 9832 1 19 . 1 1 18 18 ASN N N 18 117.428 117.428 117.657 -0.229 25810 9833 1 19 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.470 0.092 25810 9834 1 19 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.577 -0.404 25810 9835 1 19 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.423 -0.619 25810 9836 1 19 . 1 1 18 18 ASN H H 18 8.552 8.552 8.256 0.296 25810 9837 1 19 . 1 1 19 19 GLU N N 19 123.611 123.611 120.123 3.488 25810 9838 1 19 . 1 1 19 19 GLU HA H 19 4.205 4.205 3.986 0.219 25810 9839 1 19 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.526 0.272 25810 9840 1 19 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.198 0.208 25810 9841 1 19 . 1 1 19 19 GLU H H 19 8.012 8.012 7.824 0.188 25810 9842 1 19 . 1 1 20 20 PHE N N 20 117.357 117.357 118.218 -0.861 25810 9843 1 19 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.432 0.422 25810 9844 1 19 . 1 1 20 20 PHE CA C 20 60.733 60.733 60.662 0.071 25810 9845 1 19 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.939 -0.617 25810 9846 1 19 . 1 1 20 20 PHE H H 20 8.320 8.320 7.757 0.563 25810 9847 1 19 . 1 1 21 21 LYS N N 21 122.064 122.064 121.401 0.663 25810 9848 1 19 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.146 -0.121 25810 9849 1 19 . 1 1 21 21 LYS CA C 21 58.674 58.674 60.002 -1.328 25810 9850 1 19 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.414 -0.730 25810 9851 1 19 . 1 1 21 21 LYS H H 21 8.864 8.864 8.503 0.361 25810 9852 1 19 . 1 1 22 22 ALA N N 22 121.827 121.827 120.943 0.884 25810 9853 1 19 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.303 -0.090 25810 9854 1 19 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.338 -0.607 25810 9855 1 19 . 1 1 22 22 ALA H H 22 8.009 8.009 7.682 0.327 25810 9856 1 19 . 1 1 23 23 ALA N N 23 119.945 119.945 121.228 -1.283 25810 9857 1 19 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.206 -0.077 25810 9858 1 19 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.764 0.575 25810 9859 1 19 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.412 0.574 25810 9860 1 19 . 1 1 23 23 ALA H H 23 8.178 8.178 7.632 0.546 25810 9861 1 19 . 1 1 24 24 PHE N N 24 121.275 121.275 119.120 2.155 25810 9862 1 19 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.840 -0.302 25810 9863 1 19 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.444 0.969 25810 9864 1 19 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.103 0.638 25810 9865 1 19 . 1 1 24 24 PHE H H 24 8.925 8.925 8.375 0.550 25810 9866 1 19 . 1 1 25 25 ASP N N 25 117.407 117.407 118.450 -1.043 25810 9867 1 19 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.323 -0.059 25810 9868 1 19 . 1 1 25 25 ASP CA C 25 57.014 57.014 58.038 -1.024 25810 9869 1 19 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.952 -1.055 25810 9870 1 19 . 1 1 25 25 ASP H H 25 8.714 8.714 8.034 0.680 25810 9871 1 19 . 1 1 26 26 ILE N N 26 119.320 119.320 118.502 0.818 25810 9872 1 19 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.788 0.029 25810 9873 1 19 . 1 1 26 26 ILE CA C 26 63.414 63.414 63.739 -0.325 25810 9874 1 19 . 1 1 26 26 ILE CB C 26 37.442 37.442 38.147 -0.705 25810 9875 1 19 . 1 1 26 26 ILE H H 26 7.337 7.337 7.183 0.154 25810 9876 1 19 . 1 1 27 27 PHE N N 27 123.734 123.734 119.458 4.276 25810 9877 1 19 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.566 -0.990 25810 9878 1 19 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.833 1.785 25810 9879 1 19 . 1 1 27 27 PHE H H 27 8.139 8.139 8.297 -0.158 25810 9880 1 19 . 1 1 28 28 VAL N N 28 105.007 105.007 113.702 -8.695 25810 9881 1 19 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.873 0.210 25810 9882 1 19 . 1 1 28 28 VAL CA C 28 61.156 61.156 61.000 0.156 25810 9883 1 19 . 1 1 28 28 VAL CB C 28 31.392 31.392 29.140 2.252 25810 9884 1 19 . 1 1 28 28 VAL H H 28 7.505 7.505 7.544 -0.039 25810 9885 1 19 . 1 1 29 29 LEU N N 29 126.175 126.175 118.805 7.370 25810 9886 1 19 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.082 0.013 25810 9887 1 19 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.338 1.158 25810 9888 1 19 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.230 0.345 25810 9889 1 19 . 1 1 29 29 LEU H H 29 7.274 7.274 7.255 0.019 25810 9890 1 19 . 1 1 30 30 GLY N N 30 113.173 113.173 109.019 4.154 25810 9891 1 19 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.224 0.316 25810 9892 1 19 . 1 1 30 30 GLY H H 30 8.950 8.950 8.555 0.395 25810 9893 1 19 . 1 1 31 31 ALA N N 31 124.109 124.109 123.657 0.452 25810 9894 1 19 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.599 -0.142 25810 9895 1 19 . 1 1 31 31 ALA CA C 31 52.228 52.228 50.756 1.472 25810 9896 1 19 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.256 0.666 25810 9897 1 19 . 1 1 31 31 ALA H H 31 8.131 8.131 7.918 0.213 25810 9898 1 19 . 1 1 32 32 GLU N N 32 124.956 124.956 123.803 1.153 25810 9899 1 19 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.009 0.091 25810 9900 1 19 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.469 0.624 25810 9901 1 19 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.622 0.264 25810 9902 1 19 . 1 1 32 32 GLU H H 32 9.204 9.204 8.780 0.424 25810 9903 1 19 . 1 1 33 33 ASP N N 33 115.544 115.544 117.338 -1.794 25810 9904 1 19 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.493 0.272 25810 9905 1 19 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.499 -1.428 25810 9906 1 19 . 1 1 33 33 ASP CB C 33 41.383 41.383 41.023 0.360 25810 9907 1 19 . 1 1 33 33 ASP H H 33 8.156 8.156 7.990 0.166 25810 9908 1 19 . 1 1 34 34 GLY N N 34 105.580 105.580 106.059 -0.479 25810 9909 1 19 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.259 1.480 25810 9910 1 19 . 1 1 34 34 GLY H H 34 7.582 7.582 7.625 -0.043 25810 9911 1 19 . 1 1 35 35 SER N N 35 113.292 113.292 114.696 -1.404 25810 9912 1 19 . 1 1 35 35 SER HA H 35 4.960 4.960 4.607 0.353 25810 9913 1 19 . 1 1 35 35 SER CA C 35 57.390 57.390 57.376 0.014 25810 9914 1 19 . 1 1 35 35 SER CB C 35 66.240 66.240 65.046 1.194 25810 9915 1 19 . 1 1 35 35 SER H H 35 7.584 7.584 7.625 -0.041 25810 9916 1 19 . 1 1 36 36 ILE N N 36 119.513 119.513 123.839 -4.326 25810 9917 1 19 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.250 -0.487 25810 9918 1 19 . 1 1 36 36 ILE CA C 36 63.288 63.288 60.785 2.503 25810 9919 1 19 . 1 1 36 36 ILE CB C 36 39.605 39.605 38.175 1.430 25810 9920 1 19 . 1 1 36 36 ILE H H 36 9.028 9.028 8.674 0.354 25810 9921 1 19 . 1 1 37 37 SER N N 37 126.146 126.146 122.246 3.900 25810 9922 1 19 . 1 1 37 37 SER HA H 37 5.198 5.198 4.688 0.510 25810 9923 1 19 . 1 1 37 37 SER CA C 37 57.010 57.010 57.632 -0.622 25810 9924 1 19 . 1 1 37 37 SER CB C 37 67.563 67.563 64.936 2.627 25810 9925 1 19 . 1 1 37 37 SER H H 37 9.571 9.571 8.549 1.022 25810 9926 1 19 . 1 1 38 38 THR N N 38 111.059 111.059 113.465 -2.406 25810 9927 1 19 . 1 1 38 38 THR HA H 38 4.514 4.514 4.092 0.422 25810 9928 1 19 . 1 1 38 38 THR CA C 38 66.653 66.653 65.600 1.053 25810 9929 1 19 . 1 1 38 38 THR CB C 38 68.362 68.362 68.670 -0.308 25810 9930 1 19 . 1 1 38 38 THR H H 38 8.794 8.794 8.670 0.124 25810 9931 1 19 . 1 1 39 39 LYS N N 39 123.369 123.369 120.431 2.938 25810 9932 1 19 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.004 0.052 25810 9933 1 19 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.812 -0.046 25810 9934 1 19 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.080 0.123 25810 9935 1 19 . 1 1 39 39 LYS H H 39 8.044 8.044 8.182 -0.138 25810 9936 1 19 . 1 1 40 40 GLU N N 40 119.970 119.970 119.973 -0.003 25810 9937 1 19 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.035 0.139 25810 9938 1 19 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.173 2.099 25810 9939 1 19 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.243 0.949 25810 9940 1 19 . 1 1 40 40 GLU H H 40 7.714 7.714 7.590 0.124 25810 9941 1 19 . 1 1 41 41 LEU N N 41 119.088 119.088 120.253 -1.165 25810 9942 1 19 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.067 0.182 25810 9943 1 19 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.666 0.205 25810 9944 1 19 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.905 0.331 25810 9945 1 19 . 1 1 41 41 LEU H H 41 8.375 8.375 7.763 0.612 25810 9946 1 19 . 1 1 42 42 GLY N N 42 106.311 106.311 107.178 -0.867 25810 9947 1 19 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.253 0.978 25810 9948 1 19 . 1 1 42 42 GLY H H 42 8.581 8.581 8.485 0.096 25810 9949 1 19 . 1 1 43 43 LYS N N 43 120.717 120.717 122.579 -1.862 25810 9950 1 19 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.059 -0.088 25810 9951 1 19 . 1 1 43 43 LYS CA C 43 60.040 60.040 58.889 1.151 25810 9952 1 19 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.104 0.289 25810 9953 1 19 . 1 1 43 43 LYS H H 43 7.293 7.293 7.670 -0.377 25810 9954 1 19 . 1 1 44 44 VAL N N 44 119.884 119.884 120.293 -0.409 25810 9955 1 19 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.666 -0.025 25810 9956 1 19 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.376 0.068 25810 9957 1 19 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.475 0.581 25810 9958 1 19 . 1 1 44 44 VAL H H 44 7.560 7.560 7.522 0.038 25810 9959 1 19 . 1 1 45 45 MET N N 45 117.256 117.256 118.326 -1.070 25810 9960 1 19 . 1 1 45 45 MET HA H 45 4.179 4.179 4.098 0.081 25810 9961 1 19 . 1 1 45 45 MET CA C 45 57.934 57.934 59.429 -1.495 25810 9962 1 19 . 1 1 45 45 MET CB C 45 31.407 31.407 32.392 -0.984 25810 9963 1 19 . 1 1 45 45 MET H H 45 8.575 8.575 8.135 0.440 25810 9964 1 19 . 1 1 46 46 ARG N N 46 118.652 118.652 120.008 -1.356 25810 9965 1 19 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.221 0.373 25810 9966 1 19 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.455 -0.032 25810 9967 1 19 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.239 -0.379 25810 9968 1 19 . 1 1 46 46 ARG H H 46 8.080 8.080 8.267 -0.187 25810 9969 1 19 . 1 1 47 47 MET N N 47 122.632 122.632 118.069 4.563 25810 9970 1 19 . 1 1 47 47 MET HA H 47 4.179 4.179 4.151 0.028 25810 9971 1 19 . 1 1 47 47 MET CA C 47 59.178 59.178 58.552 0.626 25810 9972 1 19 . 1 1 47 47 MET CB C 47 32.669 32.669 32.637 0.032 25810 9973 1 19 . 1 1 47 47 MET H H 47 7.864 7.864 7.697 0.167 25810 9974 1 19 . 1 1 48 48 LEU N N 48 117.884 117.884 116.729 1.155 25810 9975 1 19 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.028 0.334 25810 9976 1 19 . 1 1 48 48 LEU CA C 48 54.538 54.538 56.596 -2.058 25810 9977 1 19 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.164 -0.346 25810 9978 1 19 . 1 1 48 48 LEU H H 48 7.485 7.485 7.521 -0.036 25810 9979 1 19 . 1 1 49 49 GLY N N 49 107.912 107.912 104.026 3.886 25810 9980 1 19 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.651 1.312 25810 9981 1 19 . 1 1 49 49 GLY H H 49 7.884 7.884 7.563 0.321 25810 9982 1 19 . 1 1 50 50 GLN N N 50 117.606 117.606 118.440 -0.834 25810 9983 1 19 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.664 -0.163 25810 9984 1 19 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.013 -0.621 25810 9985 1 19 . 1 1 50 50 GLN CB C 50 30.773 30.773 30.770 0.003 25810 9986 1 19 . 1 1 50 50 GLN H H 50 8.096 8.096 7.680 0.416 25810 9987 1 19 . 1 1 51 51 ASN N N 51 116.663 116.663 118.446 -1.783 25810 9988 1 19 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.157 -0.035 25810 9989 1 19 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.915 0.315 25810 9990 1 19 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.426 0.720 25810 9991 1 19 . 1 1 51 51 ASN H H 51 8.693 8.693 8.623 0.070 25810 9992 1 19 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.641 0.048 25810 9993 1 19 . 1 1 53 53 THR N N 53 113.865 113.865 116.556 -2.691 25810 9994 1 19 . 1 1 53 53 THR H H 53 8.985 8.985 7.846 1.139 25810 9995 1 19 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.181 0.005 25810 9996 1 19 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.439 0.823 25810 9997 1 19 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.968 -0.078 25810 9998 1 19 . 1 1 55 55 GLU N N 55 117.475 117.475 117.364 0.111 25810 9999 1 19 . 1 1 55 55 GLU HA H 55 4.044 4.044 3.969 0.075 25810 10000 1 19 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.841 0.774 25810 10001 1 19 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.228 -0.493 25810 10002 1 19 . 1 1 55 55 GLU H H 55 8.785 8.785 8.814 -0.029 25810 10003 1 19 . 1 1 56 56 GLU N N 56 121.699 121.699 119.511 2.188 25810 10004 1 19 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.107 -0.083 25810 10005 1 19 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.905 0.350 25810 10006 1 19 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.164 0.932 25810 10007 1 19 . 1 1 56 56 GLU H H 56 7.815 7.815 7.659 0.156 25810 10008 1 19 . 1 1 57 57 LEU N N 57 118.421 118.421 121.404 -2.983 25810 10009 1 19 . 1 1 57 57 LEU HA H 57 4.013 4.013 3.890 0.123 25810 10010 1 19 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.615 -2.053 25810 10011 1 19 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.860 0.872 25810 10012 1 19 . 1 1 57 57 LEU H H 57 8.246 8.246 8.950 -0.704 25810 10013 1 19 . 1 1 58 58 GLN N N 58 118.349 118.349 118.594 -0.245 25810 10014 1 19 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.947 -0.250 25810 10015 1 19 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.183 -0.846 25810 10016 1 19 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.357 0.211 25810 10017 1 19 . 1 1 58 58 GLN H H 58 8.003 8.003 8.071 -0.068 25810 10018 1 19 . 1 1 59 59 GLU N N 59 119.049 119.049 120.474 -1.425 25810 10019 1 19 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.103 -0.006 25810 10020 1 19 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.097 0.544 25810 10021 1 19 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.204 0.417 25810 10022 1 19 . 1 1 59 59 GLU H H 59 7.979 7.979 7.904 0.075 25810 10023 1 19 . 1 1 60 60 MET N N 60 117.492 117.492 119.902 -2.410 25810 10024 1 19 . 1 1 60 60 MET HA H 60 4.083 4.083 4.205 -0.122 25810 10025 1 19 . 1 1 60 60 MET CA C 60 59.764 59.764 57.902 1.862 25810 10026 1 19 . 1 1 60 60 MET CB C 60 34.533 34.533 32.493 2.040 25810 10027 1 19 . 1 1 60 60 MET H H 60 7.776 7.776 8.336 -0.560 25810 10028 1 19 . 1 1 61 61 ILE N N 61 118.035 118.035 119.985 -1.950 25810 10029 1 19 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.557 0.160 25810 10030 1 19 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.707 -2.594 25810 10031 1 19 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.414 -1.124 25810 10032 1 19 . 1 1 61 61 ILE H H 61 7.564 7.564 8.555 -0.991 25810 10033 1 19 . 1 1 62 62 ASP N N 62 119.355 119.355 120.294 -0.939 25810 10034 1 19 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.304 0.043 25810 10035 1 19 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.264 0.412 25810 10036 1 19 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.497 -0.145 25810 10037 1 19 . 1 1 62 62 ASP H H 62 8.801 8.801 8.194 0.607 25810 10038 1 19 . 1 1 63 63 GLU N N 63 116.439 116.439 118.228 -1.789 25810 10039 1 19 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.101 -0.038 25810 10040 1 19 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.705 0.116 25810 10041 1 19 . 1 1 63 63 GLU CB C 63 30.124 30.124 30.065 0.059 25810 10042 1 19 . 1 1 63 63 GLU H H 63 7.702 7.702 7.739 -0.037 25810 10043 1 19 . 1 1 64 64 VAL N N 64 112.796 112.796 116.933 -4.137 25810 10044 1 19 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.895 0.299 25810 10045 1 19 . 1 1 64 64 VAL CA C 64 61.611 61.611 63.540 -1.929 25810 10046 1 19 . 1 1 64 64 VAL CB C 64 32.664 32.664 31.940 0.724 25810 10047 1 19 . 1 1 64 64 VAL H H 64 7.151 7.151 7.445 -0.294 25810 10048 1 19 . 1 1 65 65 ASP N N 65 121.138 121.138 119.405 1.733 25810 10049 1 19 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.677 -0.167 25810 10050 1 19 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.802 -2.237 25810 10051 1 19 . 1 1 65 65 ASP CB C 65 41.017 41.017 40.601 0.416 25810 10052 1 19 . 1 1 65 65 ASP H H 65 7.866 7.866 8.058 -0.192 25810 10053 1 19 . 1 1 66 66 GLU N N 66 128.324 128.324 126.690 1.634 25810 10054 1 19 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.182 0.012 25810 10055 1 19 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.235 0.217 25810 10056 1 19 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.653 0.460 25810 10057 1 19 . 1 1 66 66 GLU H H 66 8.187 8.187 9.149 -0.962 25810 10058 1 19 . 1 1 67 67 ASP N N 67 114.662 114.662 116.481 -1.819 25810 10059 1 19 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.610 0.080 25810 10060 1 19 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.364 -0.604 25810 10061 1 19 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.720 -0.366 25810 10062 1 19 . 1 1 67 67 ASP H H 67 8.111 8.111 8.379 -0.268 25810 10063 1 19 . 1 1 68 68 GLY N N 68 109.084 109.084 108.117 0.967 25810 10064 1 19 . 1 1 68 68 GLY CA C 68 47.136 47.136 45.979 1.157 25810 10065 1 19 . 1 1 68 68 GLY H H 68 7.771 7.771 8.053 -0.282 25810 10066 1 19 . 1 1 69 69 SER N N 69 117.283 117.283 116.695 0.588 25810 10067 1 19 . 1 1 69 69 SER HA H 69 4.217 4.217 4.217 -0.000 25810 10068 1 19 . 1 1 69 69 SER CA C 69 60.270 60.270 59.114 1.157 25810 10069 1 19 . 1 1 69 69 SER CB C 69 64.648 64.648 63.995 0.653 25810 10070 1 19 . 1 1 69 69 SER H H 69 8.632 8.632 8.752 -0.120 25810 10071 1 19 . 1 1 70 70 GLY N N 70 116.242 116.242 109.870 6.372 25810 10072 1 19 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.319 0.169 25810 10073 1 19 . 1 1 70 70 GLY H H 70 10.710 10.710 9.249 1.461 25810 10074 1 19 . 1 1 71 71 THR N N 71 106.843 106.843 111.366 -4.523 25810 10075 1 19 . 1 1 71 71 THR HA H 71 4.941 4.941 4.644 0.297 25810 10076 1 19 . 1 1 71 71 THR CA C 71 58.422 58.422 59.541 -1.119 25810 10077 1 19 . 1 1 71 71 THR CB C 71 73.822 73.822 72.540 1.282 25810 10078 1 19 . 1 1 71 71 THR H H 71 7.551 7.551 7.520 0.031 25810 10079 1 19 . 1 1 72 72 VAL N N 72 127.231 127.231 118.752 8.479 25810 10080 1 19 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.609 0.465 25810 10081 1 19 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.206 0.591 25810 10082 1 19 . 1 1 72 72 VAL CB C 72 33.925 33.925 31.144 2.781 25810 10083 1 19 . 1 1 72 72 VAL H H 72 9.690 9.690 8.564 1.126 25810 10084 1 19 . 1 1 73 73 ASP N N 73 129.232 129.232 128.231 1.001 25810 10085 1 19 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.706 0.386 25810 10086 1 19 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.901 -1.520 25810 10087 1 19 . 1 1 73 73 ASP CB C 73 42.040 42.040 43.405 -1.365 25810 10088 1 19 . 1 1 73 73 ASP H H 73 8.828 8.828 8.133 0.695 25810 10089 1 19 . 1 1 74 74 PHE N N 74 118.313 118.313 119.504 -1.191 25810 10090 1 19 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.893 -0.612 25810 10091 1 19 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.599 -1.230 25810 10092 1 19 . 1 1 74 74 PHE CB C 74 38.590 38.590 38.374 0.216 25810 10093 1 19 . 1 1 74 74 PHE H H 74 8.496 8.496 8.667 -0.171 25810 10094 1 19 . 1 1 75 75 ASP N N 75 117.592 117.592 117.959 -0.367 25810 10095 1 19 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.455 -0.531 25810 10096 1 19 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.242 0.615 25810 10097 1 19 . 1 1 75 75 ASP CB C 75 39.984 39.984 38.817 1.167 25810 10098 1 19 . 1 1 75 75 ASP H H 75 7.708 7.708 8.760 -1.052 25810 10099 1 19 . 1 1 76 76 GLU N N 76 120.100 120.100 119.980 0.120 25810 10100 1 19 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.017 -0.098 25810 10101 1 19 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.009 -0.599 25810 10102 1 19 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.300 0.927 25810 10103 1 19 . 1 1 76 76 GLU H H 76 8.267 8.267 8.334 -0.067 25810 10104 1 19 . 1 1 77 77 PHE N N 77 122.101 122.101 121.168 0.933 25810 10105 1 19 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.147 -0.456 25810 10106 1 19 . 1 1 77 77 PHE CA C 77 60.916 60.916 60.560 0.356 25810 10107 1 19 . 1 1 77 77 PHE CB C 77 40.070 40.070 38.963 1.107 25810 10108 1 19 . 1 1 77 77 PHE H H 77 8.760 8.760 8.662 0.098 25810 10109 1 19 . 1 1 78 78 LEU N N 78 120.110 120.110 119.851 0.259 25810 10110 1 19 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.225 0.002 25810 10111 1 19 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.318 -0.203 25810 10112 1 19 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.677 -0.067 25810 10113 1 19 . 1 1 78 78 LEU H H 78 8.404 8.404 7.559 0.845 25810 10114 1 19 . 1 1 79 79 VAL N N 79 116.259 116.259 118.714 -2.455 25810 10115 1 19 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.510 -0.303 25810 10116 1 19 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.749 -0.120 25810 10117 1 19 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.215 0.222 25810 10118 1 19 . 1 1 79 79 VAL H H 79 7.132 7.132 7.629 -0.497 25810 10119 1 19 . 1 1 80 80 MET N N 80 118.429 118.429 119.438 -1.009 25810 10120 1 19 . 1 1 80 80 MET HA H 80 3.810 3.810 4.081 -0.271 25810 10121 1 19 . 1 1 80 80 MET CA C 80 57.828 57.828 57.634 0.194 25810 10122 1 19 . 1 1 80 80 MET CB C 80 31.114 31.114 32.340 -1.226 25810 10123 1 19 . 1 1 80 80 MET H H 80 7.191 7.191 7.617 -0.426 25810 10124 1 19 . 1 1 81 81 MET H H 81 8.104 8.104 7.318 0.786 25810 10125 1 19 . 1 1 86 86 LYS N N 86 118.058 118.058 121.915 -3.857 25810 10126 1 19 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.906 0.394 25810 10127 1 19 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.603 -2.205 25810 10128 1 19 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.676 0.170 25810 10129 1 19 . 1 1 86 86 LYS H H 86 7.750 7.750 8.303 -0.553 25810 10130 1 19 . 1 1 87 87 ASP N N 87 120.199 120.199 118.264 1.935 25810 10131 1 19 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.405 0.253 25810 10132 1 19 . 1 1 87 87 ASP CA C 87 55.117 55.117 56.942 -1.825 25810 10133 1 19 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.440 0.936 25810 10134 1 19 . 1 1 87 87 ASP H H 87 8.102 8.102 7.750 0.352 25810 10135 1 19 . 1 1 88 88 ASP N N 88 121.497 121.497 118.619 2.878 25810 10136 1 19 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.369 0.321 25810 10137 1 19 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.738 -2.072 25810 10138 1 19 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.911 0.246 25810 10139 1 19 . 1 1 88 88 ASP H H 88 8.363 8.363 8.265 0.098 25810 10140 1 19 . 1 1 89 89 SER N N 89 115.602 115.602 114.240 1.362 25810 10141 1 19 . 1 1 89 89 SER HA H 89 4.347 4.347 4.214 0.133 25810 10142 1 19 . 1 1 89 89 SER CA C 89 59.571 59.571 61.390 -1.819 25810 10143 1 19 . 1 1 89 89 SER CB C 89 63.999 63.999 63.177 0.822 25810 10144 1 19 . 1 1 89 89 SER H H 89 8.251 8.251 7.793 0.458 25810 10145 1 19 . 1 1 90 90 GLU N N 90 121.265 121.265 118.127 3.138 25810 10146 1 19 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.198 0.032 25810 10147 1 19 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.065 -0.013 25810 10148 1 19 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.949 -0.139 25810 10149 1 19 . 1 1 90 90 GLU H H 90 8.331 8.331 7.765 0.566 25810 10150 1 19 . 1 1 91 91 ASN N N 91 118.544 118.544 116.011 2.533 25810 10151 1 19 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.225 0.430 25810 10152 1 19 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.304 0.157 25810 10153 1 19 . 1 1 91 91 ASN CB C 91 39.208 39.208 37.138 2.070 25810 10154 1 19 . 1 1 91 91 ASN H H 91 8.131 8.131 7.793 0.338 25810 10155 1 19 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.541 -0.548 25810 10156 1 19 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.282 1.129 25810 10157 1 19 . 1 1 95 95 GLN CB C 95 29.282 29.282 28.383 0.899 25810 10158 1 19 . 1 1 96 96 GLY N N 96 109.372 109.372 109.565 -0.193 25810 10159 1 19 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.208 0.480 25810 10160 1 19 . 1 1 96 96 GLY H H 96 8.110 8.110 8.007 0.103 25810 10161 1 19 . 1 1 97 97 ARG N N 97 120.154 120.154 122.529 -2.375 25810 10162 1 19 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.189 0.278 25810 10163 1 19 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.637 -1.071 25810 10164 1 19 . 1 1 97 97 ARG CB C 97 31.505 31.505 31.022 0.483 25810 10165 1 19 . 1 1 97 97 ARG H H 97 7.966 7.966 7.909 0.057 25810 10166 1 19 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.353 -0.211 25810 10167 1 19 . 1 1 99 99 VAL CA C 99 62.039 62.039 60.655 1.384 25810 10168 1 19 . 1 1 99 99 VAL CB C 99 30.875 30.875 33.069 -2.194 25810 10169 1 19 . 1 1 100 100 ARG N N 100 125.661 125.661 125.052 0.609 25810 10170 1 19 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.175 0.326 25810 10171 1 19 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.894 -2.337 25810 10172 1 19 . 1 1 100 100 ARG H H 100 8.379 8.379 8.471 -0.092 25810 10173 1 19 . 1 1 102 102 SER HA H 102 4.356 4.356 4.621 -0.265 25810 10174 1 19 . 1 1 102 102 SER CA C 102 57.361 57.361 57.208 0.153 25810 10175 1 19 . 1 1 102 102 SER CB C 102 65.237 65.237 65.483 -0.246 25810 10176 1 19 . 1 1 103 103 ALA N N 103 125.468 125.468 124.009 1.459 25810 10177 1 19 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.109 -0.098 25810 10178 1 19 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.114 0.871 25810 10179 1 19 . 1 1 103 103 ALA CB C 103 18.593 18.593 17.891 0.702 25810 10180 1 19 . 1 1 103 103 ALA H H 103 9.148 9.148 8.835 0.313 25810 10181 1 19 . 1 1 104 104 ASP N N 104 115.217 115.217 118.529 -3.312 25810 10182 1 19 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.417 -0.109 25810 10183 1 19 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.663 0.644 25810 10184 1 19 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.495 0.484 25810 10185 1 19 . 1 1 104 104 ASP H H 104 8.517 8.517 8.482 0.035 25810 10186 1 19 . 1 1 105 105 ALA N N 105 122.884 122.884 123.225 -0.341 25810 10187 1 19 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.047 0.033 25810 10188 1 19 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.929 0.174 25810 10189 1 19 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.561 -0.224 25810 10190 1 19 . 1 1 105 105 ALA H H 105 7.953 7.953 7.779 0.174 25810 10191 1 19 . 1 1 106 106 MET N N 106 118.710 118.710 118.984 -0.274 25810 10192 1 19 . 1 1 106 106 MET HA H 106 3.987 3.987 4.131 -0.144 25810 10193 1 19 . 1 1 106 106 MET CA C 106 59.704 59.704 58.439 1.265 25810 10194 1 19 . 1 1 106 106 MET CB C 106 33.450 33.450 32.240 1.210 25810 10195 1 19 . 1 1 106 106 MET H H 106 8.186 8.186 8.047 0.139 25810 10196 1 19 . 1 1 107 107 MET N N 107 116.864 116.864 118.184 -1.320 25810 10197 1 19 . 1 1 107 107 MET HA H 107 4.446 4.446 4.066 0.380 25810 10198 1 19 . 1 1 107 107 MET CA C 107 57.649 57.649 59.487 -1.838 25810 10199 1 19 . 1 1 107 107 MET CB C 107 31.359 31.359 32.200 -0.841 25810 10200 1 19 . 1 1 107 107 MET H H 107 8.483 8.483 7.851 0.632 25810 10201 1 19 . 1 1 108 108 GLN N N 108 117.959 117.959 119.592 -1.633 25810 10202 1 19 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.937 0.072 25810 10203 1 19 . 1 1 108 108 GLN CA C 108 58.986 58.986 59.199 -0.213 25810 10204 1 19 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.834 -0.314 25810 10205 1 19 . 1 1 108 108 GLN H H 108 8.359 8.359 8.141 0.218 25810 10206 1 19 . 1 1 109 109 ALA N N 109 121.657 121.657 122.287 -0.630 25810 10207 1 19 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.092 0.047 25810 10208 1 19 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.781 -0.016 25810 10209 1 19 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.378 0.061 25810 10210 1 19 . 1 1 109 109 ALA H H 109 7.855 7.855 8.108 -0.253 25810 10211 1 19 . 1 1 110 110 LEU N N 110 116.183 116.183 119.015 -2.832 25810 10212 1 19 . 1 1 110 110 LEU HA H 110 4.125 4.125 3.994 0.131 25810 10213 1 19 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.666 -0.234 25810 10214 1 19 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.132 0.500 25810 10215 1 19 . 1 1 110 110 LEU H H 110 7.933 7.933 8.048 -0.115 25810 10216 1 19 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.989 -0.379 25810 10217 1 19 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.853 0.039 25810 10218 1 19 . 1 1 112 112 GLY N N 112 109.198 109.198 106.243 2.955 25810 10219 1 19 . 1 1 112 112 GLY CA C 112 46.067 46.067 44.666 1.401 25810 10220 1 19 . 1 1 112 112 GLY H H 112 7.928 7.928 7.639 0.289 25810 10221 1 19 . 1 1 113 113 ALA N N 113 124.374 124.374 124.412 -0.038 25810 10222 1 19 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.749 -0.486 25810 10223 1 19 . 1 1 113 113 ALA CA C 113 53.404 53.404 51.116 2.288 25810 10224 1 19 . 1 1 113 113 ALA CB C 113 18.713 18.713 20.068 -1.355 25810 10225 1 19 . 1 1 113 113 ALA H H 113 8.211 8.211 8.358 -0.147 25810 10226 1 19 . 1 1 114 114 ARG N N 114 117.947 117.947 121.412 -3.465 25810 10227 1 19 . 1 1 114 114 ARG HA H 114 4.247 4.247 3.947 0.300 25810 10228 1 19 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.652 -0.084 25810 10229 1 19 . 1 1 114 114 ARG CB C 114 30.389 30.389 29.803 0.586 25810 10230 1 19 . 1 1 114 114 ARG H H 114 7.974 7.974 8.687 -0.713 25810 10231 1 19 . 1 1 115 115 ALA N N 115 123.079 123.079 125.100 -2.021 25810 10232 1 19 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.597 -0.381 25810 10233 1 19 . 1 1 115 115 ALA CA C 115 52.783 52.783 51.734 1.048 25810 10234 1 19 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.004 -0.089 25810 10235 1 19 . 1 1 115 115 ALA H H 115 7.969 7.969 8.346 -0.377 25810 10236 1 19 . 1 1 116 116 LYS N N 116 120.562 120.562 123.327 -2.765 25810 10237 1 19 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.539 -0.300 25810 10238 1 19 . 1 1 116 116 LYS CA C 116 57.421 57.421 55.944 1.477 25810 10239 1 19 . 1 1 116 116 LYS CB C 116 33.373 33.373 35.421 -2.048 25810 10240 1 19 . 1 1 116 116 LYS H H 116 8.310 8.310 8.153 0.157 25810 10241 1 19 . 1 1 117 117 GLU N N 117 121.115 121.115 123.591 -2.476 25810 10242 1 19 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.579 -0.320 25810 10243 1 19 . 1 1 117 117 GLU CA C 117 57.347 57.347 56.090 1.257 25810 10244 1 19 . 1 1 117 117 GLU CB C 117 30.037 30.037 30.320 -0.283 25810 10245 1 19 . 1 1 117 117 GLU H H 117 8.646 8.646 8.889 -0.243 25810 10246 1 19 . 1 1 118 118 SER N N 118 115.616 115.616 120.493 -4.877 25810 10247 1 19 . 1 1 118 118 SER HA H 118 4.322 4.322 4.111 0.211 25810 10248 1 19 . 1 1 118 118 SER CA C 118 59.082 59.082 60.508 -1.426 25810 10249 1 19 . 1 1 118 118 SER CB C 118 63.624 63.624 63.448 0.176 25810 10250 1 19 . 1 1 118 118 SER H H 118 8.346 8.346 8.957 -0.611 25810 10251 1 19 . 1 1 119 119 LEU N N 119 122.984 122.984 119.040 3.944 25810 10252 1 19 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.037 0.271 25810 10253 1 19 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.480 -0.977 25810 10254 1 19 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.027 0.234 25810 10255 1 19 . 1 1 119 119 LEU H H 119 7.970 7.970 7.766 0.203 25810 10256 1 19 . 1 1 120 120 ASP N N 120 120.516 120.516 116.039 4.477 25810 10257 1 19 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.732 -0.122 25810 10258 1 19 . 1 1 120 120 ASP CA C 120 54.452 54.452 53.353 1.099 25810 10259 1 19 . 1 1 120 120 ASP CB C 120 41.020 41.020 42.989 -1.969 25810 10260 1 19 . 1 1 120 120 ASP H H 120 8.149 8.149 7.581 0.568 25810 10261 1 19 . 1 1 121 121 LEU N N 121 122.598 122.598 116.657 5.941 25810 10262 1 19 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.665 -0.390 25810 10263 1 19 . 1 1 121 121 LEU CA C 121 56.021 56.021 54.941 1.080 25810 10264 1 19 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.218 -0.164 25810 10265 1 19 . 1 1 121 121 LEU H H 121 8.111 8.111 8.103 0.008 25810 10266 1 19 . 1 1 122 122 ARG N N 122 119.425 119.425 121.168 -1.743 25810 10267 1 19 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.178 0.069 25810 10268 1 19 . 1 1 122 122 ARG CA C 122 56.615 56.615 57.436 -0.821 25810 10269 1 19 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.473 -0.037 25810 10270 1 19 . 1 1 122 122 ARG H H 122 8.131 8.131 8.173 -0.042 25810 10271 1 19 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.262 0.882 25810 10272 1 19 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.482 -0.359 25810 10273 1 19 . 1 1 124 124 HIS N N 124 117.075 117.075 117.158 -0.083 25810 10274 1 19 . 1 1 124 124 HIS CA C 124 56.097 56.097 56.152 -0.055 25810 10275 1 19 . 1 1 124 124 HIS CB C 124 30.425 30.425 29.788 0.637 25810 10276 1 19 . 1 1 124 124 HIS H H 124 8.185 8.185 8.321 -0.136 25810 10277 1 19 . 1 1 125 125 LEU HA H 125 4.354 4.354 3.837 0.517 25810 10278 1 19 . 1 1 125 125 LEU CA C 125 55.257 55.257 55.114 0.143 25810 10279 1 19 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.250 0.051 25810 10280 1 20 . 1 1 -9 -9 HIS CB C -9 30.577 30.577 30.250 0.327 25810 10281 1 20 . 1 1 -7 -7 GLY N N -7 108.818 108.818 110.078 -1.260 25810 10282 1 20 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.887 0.297 25810 10283 1 20 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.364 -0.034 25810 10284 1 20 . 1 1 0 0 ASP N N 0 115.716 115.716 117.171 -1.455 25810 10285 1 20 . 1 1 0 0 ASP HA H 0 4.488 4.488 4.632 -0.144 25810 10286 1 20 . 1 1 0 0 ASP CA C 0 58.683 58.683 57.887 0.796 25810 10287 1 20 . 1 1 0 0 ASP CB C 0 63.996 63.996 64.575 -0.579 25810 10288 1 20 . 1 1 0 0 ASP H H 0 8.155 8.155 8.288 -0.133 25810 10289 1 20 . 1 1 1 1 MET N N 1 121.815 121.815 120.500 1.315 25810 10290 1 20 . 1 1 1 1 MET HA H 1 4.450 4.450 4.892 -0.442 25810 10291 1 20 . 1 1 1 1 MET CA C 1 55.996 55.996 54.857 1.139 25810 10292 1 20 . 1 1 1 1 MET CB C 1 32.334 32.334 32.505 -0.171 25810 10293 1 20 . 1 1 1 1 MET H H 1 8.553 8.553 8.910 -0.357 25810 10294 1 20 . 1 1 2 2 ASP N N 2 119.828 119.828 123.715 -3.887 25810 10295 1 20 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.424 0.057 25810 10296 1 20 . 1 1 2 2 ASP CA C 2 56.123 56.123 58.270 -2.147 25810 10297 1 20 . 1 1 2 2 ASP CB C 2 41.111 41.111 41.307 -0.196 25810 10298 1 20 . 1 1 3 3 ASP N N 3 119.912 119.912 119.970 -0.058 25810 10299 1 20 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.401 0.075 25810 10300 1 20 . 1 1 3 3 ASP CA C 3 56.220 56.220 57.218 -0.998 25810 10301 1 20 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.806 0.136 25810 10302 1 20 . 1 1 3 3 ASP H H 3 8.098 8.098 8.630 -0.532 25810 10303 1 20 . 1 1 4 4 ILE N N 4 120.617 120.617 120.025 0.592 25810 10304 1 20 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.596 0.251 25810 10305 1 20 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.571 -0.734 25810 10306 1 20 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.816 -0.028 25810 10307 1 20 . 1 1 4 4 ILE H H 4 7.897 7.897 7.272 0.625 25810 10308 1 20 . 1 1 5 5 TYR N N 5 121.116 121.116 118.765 2.351 25810 10309 1 20 . 1 1 5 5 TYR HA H 5 4.308 4.308 4.006 0.302 25810 10310 1 20 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.860 -1.609 25810 10311 1 20 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.586 0.004 25810 10312 1 20 . 1 1 5 5 TYR H H 5 7.961 7.961 7.819 0.142 25810 10313 1 20 . 1 1 6 6 LYS N N 6 120.005 120.005 118.573 1.432 25810 10314 1 20 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.910 0.013 25810 10315 1 20 . 1 1 6 6 LYS CA C 6 59.544 59.544 58.979 0.565 25810 10316 1 20 . 1 1 6 6 LYS CB C 6 32.355 32.355 31.878 0.477 25810 10317 1 20 . 1 1 6 6 LYS H H 6 8.008 8.008 8.463 -0.455 25810 10318 1 20 . 1 1 7 7 ALA N N 7 120.589 120.589 121.221 -0.632 25810 10319 1 20 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.112 0.042 25810 10320 1 20 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.855 -0.338 25810 10321 1 20 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.076 0.010 25810 10322 1 20 . 1 1 7 7 ALA H H 7 7.816 7.816 7.714 0.102 25810 10323 1 20 . 1 1 8 8 ALA N N 8 120.065 120.065 121.588 -1.523 25810 10324 1 20 . 1 1 8 8 ALA HA H 8 4.154 4.154 4.012 0.142 25810 10325 1 20 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.914 -0.216 25810 10326 1 20 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.200 0.284 25810 10327 1 20 . 1 1 8 8 ALA H H 8 7.622 7.622 7.755 -0.133 25810 10328 1 20 . 1 1 9 9 VAL N N 9 118.101 118.101 118.756 -0.655 25810 10329 1 20 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.583 -0.024 25810 10330 1 20 . 1 1 9 9 VAL CA C 9 66.034 66.034 65.236 0.798 25810 10331 1 20 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.631 0.051 25810 10332 1 20 . 1 1 9 9 VAL H H 9 7.974 7.974 7.735 0.239 25810 10333 1 20 . 1 1 10 10 GLU N N 10 118.217 118.217 120.153 -1.936 25810 10334 1 20 . 1 1 10 10 GLU HA H 10 4.127 4.127 3.959 0.168 25810 10335 1 20 . 1 1 10 10 GLU CA C 10 58.269 58.269 59.061 -0.792 25810 10336 1 20 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.440 0.124 25810 10337 1 20 . 1 1 10 10 GLU H H 10 7.682 7.682 7.992 -0.310 25810 10338 1 20 . 1 1 11 11 GLN N N 11 114.903 114.903 116.422 -1.519 25810 10339 1 20 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.210 0.113 25810 10340 1 20 . 1 1 11 11 GLN CA C 11 55.652 55.652 55.599 0.053 25810 10341 1 20 . 1 1 11 11 GLN CB C 11 29.447 29.447 28.863 0.584 25810 10342 1 20 . 1 1 11 11 GLN H H 11 7.404 7.404 7.516 -0.112 25810 10343 1 20 . 1 1 12 12 LEU N N 12 120.467 120.467 118.844 1.623 25810 10344 1 20 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.123 0.459 25810 10345 1 20 . 1 1 12 12 LEU CA C 12 54.997 54.997 55.861 -0.864 25810 10346 1 20 . 1 1 12 12 LEU CB C 12 43.566 43.566 42.072 1.494 25810 10347 1 20 . 1 1 12 12 LEU H H 12 7.354 7.354 7.678 -0.324 25810 10348 1 20 . 1 1 13 13 THR N N 13 113.431 113.431 107.679 5.752 25810 10349 1 20 . 1 1 13 13 THR HA H 13 4.462 4.462 4.616 -0.154 25810 10350 1 20 . 1 1 13 13 THR CA C 13 60.759 60.759 60.221 0.538 25810 10351 1 20 . 1 1 13 13 THR CB C 13 71.101 71.101 71.934 -0.834 25810 10352 1 20 . 1 1 13 13 THR H H 13 8.844 8.844 7.803 1.041 25810 10353 1 20 . 1 1 14 14 GLU N N 14 121.790 121.790 123.056 -1.266 25810 10354 1 20 . 1 1 14 14 GLU HA H 14 3.963 3.963 3.928 0.035 25810 10355 1 20 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.259 -0.385 25810 10356 1 20 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.339 -0.021 25810 10357 1 20 . 1 1 14 14 GLU H H 14 9.013 9.013 9.053 -0.040 25810 10358 1 20 . 1 1 15 15 GLU N N 15 117.495 117.495 119.427 -1.932 25810 10359 1 20 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.114 -0.054 25810 10360 1 20 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.252 1.080 25810 10361 1 20 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.116 0.061 25810 10362 1 20 . 1 1 15 15 GLU H H 15 8.653 8.653 8.544 0.109 25810 10363 1 20 . 1 1 16 16 GLN N N 16 119.205 119.205 118.893 0.312 25810 10364 1 20 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.146 -0.289 25810 10365 1 20 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.898 0.050 25810 10366 1 20 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.746 0.985 25810 10367 1 20 . 1 1 16 16 GLN H H 16 7.839 7.839 7.706 0.133 25810 10368 1 20 . 1 1 17 17 LYS N N 17 119.027 119.027 120.021 -0.994 25810 10369 1 20 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.025 -0.001 25810 10370 1 20 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.939 1.749 25810 10371 1 20 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.317 -0.261 25810 10372 1 20 . 1 1 17 17 LYS H H 17 8.539 8.539 8.069 0.470 25810 10373 1 20 . 1 1 18 18 ASN N N 18 117.428 117.428 117.872 -0.444 25810 10374 1 20 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.495 0.067 25810 10375 1 20 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.331 -0.159 25810 10376 1 20 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.338 -0.534 25810 10377 1 20 . 1 1 18 18 ASN H H 18 8.552 8.552 8.270 0.282 25810 10378 1 20 . 1 1 19 19 GLU N N 19 123.611 123.611 120.795 2.816 25810 10379 1 20 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.120 0.085 25810 10380 1 20 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.621 0.177 25810 10381 1 20 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.693 -0.287 25810 10382 1 20 . 1 1 19 19 GLU H H 19 8.012 8.012 7.916 0.096 25810 10383 1 20 . 1 1 20 20 PHE N N 20 117.357 117.357 119.569 -2.212 25810 10384 1 20 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.391 0.463 25810 10385 1 20 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.723 -0.990 25810 10386 1 20 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.968 -0.646 25810 10387 1 20 . 1 1 20 20 PHE H H 20 8.320 8.320 8.865 -0.545 25810 10388 1 20 . 1 1 21 21 LYS N N 21 122.064 122.064 119.926 2.138 25810 10389 1 20 . 1 1 21 21 LYS HA H 21 4.025 4.025 4.117 -0.092 25810 10390 1 20 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.709 -1.035 25810 10391 1 20 . 1 1 21 21 LYS CB C 21 31.684 31.684 31.922 -0.238 25810 10392 1 20 . 1 1 21 21 LYS H H 21 8.864 8.864 8.725 0.139 25810 10393 1 20 . 1 1 22 22 ALA N N 22 121.827 121.827 121.330 0.497 25810 10394 1 20 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.167 0.046 25810 10395 1 20 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.143 -0.412 25810 10396 1 20 . 1 1 22 22 ALA H H 22 8.009 8.009 7.922 0.087 25810 10397 1 20 . 1 1 23 23 ALA N N 23 119.945 119.945 121.360 -1.415 25810 10398 1 20 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.145 -0.016 25810 10399 1 20 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.797 0.542 25810 10400 1 20 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.424 0.562 25810 10401 1 20 . 1 1 23 23 ALA H H 23 8.178 8.178 7.932 0.246 25810 10402 1 20 . 1 1 24 24 PHE N N 24 121.275 121.275 119.275 2.000 25810 10403 1 20 . 1 1 24 24 PHE HA H 24 3.538 3.538 4.150 -0.612 25810 10404 1 20 . 1 1 24 24 PHE CA C 24 62.413 62.413 60.750 1.663 25810 10405 1 20 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.591 0.150 25810 10406 1 20 . 1 1 24 24 PHE H H 24 8.925 8.925 8.841 0.084 25810 10407 1 20 . 1 1 25 25 ASP N N 25 117.407 117.407 120.283 -2.876 25810 10408 1 20 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.171 0.093 25810 10409 1 20 . 1 1 25 25 ASP CA C 25 57.014 57.014 58.153 -1.139 25810 10410 1 20 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.969 -1.072 25810 10411 1 20 . 1 1 25 25 ASP H H 25 8.714 8.714 8.391 0.323 25810 10412 1 20 . 1 1 26 26 ILE N N 26 119.320 119.320 116.587 2.733 25810 10413 1 20 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.717 0.100 25810 10414 1 20 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.435 -1.021 25810 10415 1 20 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.594 -0.152 25810 10416 1 20 . 1 1 26 26 ILE H H 26 7.337 7.337 7.598 -0.261 25810 10417 1 20 . 1 1 27 27 PHE N N 27 123.734 123.734 118.270 5.464 25810 10418 1 20 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.264 -0.688 25810 10419 1 20 . 1 1 27 27 PHE CB C 27 40.618 40.618 39.106 1.512 25810 10420 1 20 . 1 1 27 27 PHE H H 27 8.139 8.139 7.413 0.726 25810 10421 1 20 . 1 1 28 28 VAL N N 28 105.007 105.007 117.188 -12.181 25810 10422 1 20 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.639 0.444 25810 10423 1 20 . 1 1 28 28 VAL CA C 28 61.156 61.156 64.340 -3.183 25810 10424 1 20 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.802 -0.410 25810 10425 1 20 . 1 1 28 28 VAL H H 28 7.505 7.505 7.691 -0.186 25810 10426 1 20 . 1 1 29 29 LEU N N 29 126.175 126.175 121.171 5.004 25810 10427 1 20 . 1 1 29 29 LEU HA H 29 4.095 4.095 3.934 0.161 25810 10428 1 20 . 1 1 29 29 LEU CA C 29 57.496 57.496 57.032 0.464 25810 10429 1 20 . 1 1 29 29 LEU CB C 29 41.575 41.575 42.120 -0.545 25810 10430 1 20 . 1 1 29 29 LEU H H 29 7.274 7.274 7.262 0.012 25810 10431 1 20 . 1 1 30 30 GLY N N 30 113.173 113.173 111.143 2.030 25810 10432 1 20 . 1 1 30 30 GLY CA C 30 45.540 45.540 44.700 0.840 25810 10433 1 20 . 1 1 30 30 GLY H H 30 8.950 8.950 8.494 0.456 25810 10434 1 20 . 1 1 31 31 ALA N N 31 124.109 124.109 123.677 0.432 25810 10435 1 20 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.587 -0.130 25810 10436 1 20 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.326 0.902 25810 10437 1 20 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.933 -0.011 25810 10438 1 20 . 1 1 31 31 ALA H H 31 8.131 8.131 7.794 0.337 25810 10439 1 20 . 1 1 32 32 GLU N N 32 124.956 124.956 122.851 2.105 25810 10440 1 20 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.155 -0.055 25810 10441 1 20 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.695 0.398 25810 10442 1 20 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.754 0.132 25810 10443 1 20 . 1 1 32 32 GLU H H 32 9.204 9.204 8.943 0.261 25810 10444 1 20 . 1 1 33 33 ASP N N 33 115.544 115.544 118.323 -2.779 25810 10445 1 20 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.670 0.095 25810 10446 1 20 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.206 -1.135 25810 10447 1 20 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.705 0.678 25810 10448 1 20 . 1 1 33 33 ASP H H 33 8.156 8.156 8.354 -0.198 25810 10449 1 20 . 1 1 34 34 GLY N N 34 105.580 105.580 106.755 -1.175 25810 10450 1 20 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.533 1.206 25810 10451 1 20 . 1 1 34 34 GLY H H 34 7.582 7.582 8.489 -0.907 25810 10452 1 20 . 1 1 35 35 SER N N 35 113.292 113.292 114.719 -1.427 25810 10453 1 20 . 1 1 35 35 SER HA H 35 4.960 4.960 4.720 0.240 25810 10454 1 20 . 1 1 35 35 SER CA C 35 57.390 57.390 57.193 0.197 25810 10455 1 20 . 1 1 35 35 SER CB C 35 66.240 66.240 66.449 -0.209 25810 10456 1 20 . 1 1 35 35 SER H H 35 7.584 7.584 7.547 0.037 25810 10457 1 20 . 1 1 36 36 ILE N N 36 119.513 119.513 125.039 -5.526 25810 10458 1 20 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.166 -0.403 25810 10459 1 20 . 1 1 36 36 ILE CA C 36 63.288 63.288 62.895 0.393 25810 10460 1 20 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.545 2.060 25810 10461 1 20 . 1 1 36 36 ILE H H 36 9.028 9.028 8.174 0.854 25810 10462 1 20 . 1 1 37 37 SER N N 37 126.146 126.146 121.228 4.918 25810 10463 1 20 . 1 1 37 37 SER HA H 37 5.198 5.198 4.998 0.200 25810 10464 1 20 . 1 1 37 37 SER CA C 37 57.010 57.010 56.616 0.394 25810 10465 1 20 . 1 1 37 37 SER CB C 37 67.563 67.563 66.448 1.115 25810 10466 1 20 . 1 1 37 37 SER H H 37 9.571 9.571 9.138 0.433 25810 10467 1 20 . 1 1 38 38 THR N N 38 111.059 111.059 115.719 -4.660 25810 10468 1 20 . 1 1 38 38 THR HA H 38 4.514 4.514 4.017 0.497 25810 10469 1 20 . 1 1 38 38 THR CA C 38 66.653 66.653 65.812 0.841 25810 10470 1 20 . 1 1 38 38 THR CB C 38 68.362 68.362 68.707 -0.345 25810 10471 1 20 . 1 1 38 38 THR H H 38 8.794 8.794 8.778 0.016 25810 10472 1 20 . 1 1 39 39 LYS N N 39 123.369 123.369 121.502 1.867 25810 10473 1 20 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.055 0.001 25810 10474 1 20 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.427 0.339 25810 10475 1 20 . 1 1 39 39 LYS CB C 39 32.203 32.203 31.957 0.246 25810 10476 1 20 . 1 1 39 39 LYS H H 39 8.044 8.044 8.221 -0.177 25810 10477 1 20 . 1 1 40 40 GLU N N 40 119.970 119.970 119.463 0.507 25810 10478 1 20 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.060 0.114 25810 10479 1 20 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.963 1.309 25810 10480 1 20 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.286 0.906 25810 10481 1 20 . 1 1 40 40 GLU H H 40 7.714 7.714 8.358 -0.644 25810 10482 1 20 . 1 1 41 41 LEU N N 41 119.088 119.088 120.623 -1.535 25810 10483 1 20 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.041 0.208 25810 10484 1 20 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.584 0.287 25810 10485 1 20 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.958 0.279 25810 10486 1 20 . 1 1 41 41 LEU H H 41 8.375 8.375 8.016 0.359 25810 10487 1 20 . 1 1 42 42 GLY N N 42 106.311 106.311 106.947 -0.636 25810 10488 1 20 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.261 0.969 25810 10489 1 20 . 1 1 42 42 GLY H H 42 8.581 8.581 8.765 -0.184 25810 10490 1 20 . 1 1 43 43 LYS N N 43 120.717 120.717 122.786 -2.069 25810 10491 1 20 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.070 -0.099 25810 10492 1 20 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.037 1.003 25810 10493 1 20 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.182 0.211 25810 10494 1 20 . 1 1 43 43 LYS H H 43 7.293 7.293 7.723 -0.430 25810 10495 1 20 . 1 1 44 44 VAL N N 44 119.884 119.884 120.211 -0.327 25810 10496 1 20 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.807 -0.166 25810 10497 1 20 . 1 1 44 44 VAL CA C 44 66.444 66.444 65.353 1.091 25810 10498 1 20 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.916 0.140 25810 10499 1 20 . 1 1 44 44 VAL H H 44 7.560 7.560 7.636 -0.076 25810 10500 1 20 . 1 1 45 45 MET N N 45 117.256 117.256 118.930 -1.674 25810 10501 1 20 . 1 1 45 45 MET HA H 45 4.179 4.179 4.017 0.162 25810 10502 1 20 . 1 1 45 45 MET CA C 45 57.934 57.934 59.738 -1.804 25810 10503 1 20 . 1 1 45 45 MET CB C 45 31.407 31.407 32.495 -1.088 25810 10504 1 20 . 1 1 45 45 MET H H 45 8.575 8.575 8.190 0.385 25810 10505 1 20 . 1 1 46 46 ARG N N 46 118.652 118.652 118.124 0.528 25810 10506 1 20 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.333 0.261 25810 10507 1 20 . 1 1 46 46 ARG CA C 46 59.423 59.423 58.856 0.567 25810 10508 1 20 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.192 -0.332 25810 10509 1 20 . 1 1 46 46 ARG H H 46 8.080 8.080 8.280 -0.200 25810 10510 1 20 . 1 1 47 47 MET N N 47 122.632 122.632 120.558 2.074 25810 10511 1 20 . 1 1 47 47 MET HA H 47 4.179 4.179 4.189 -0.010 25810 10512 1 20 . 1 1 47 47 MET CA C 47 59.178 59.178 58.588 0.590 25810 10513 1 20 . 1 1 47 47 MET CB C 47 32.669 32.669 32.569 0.100 25810 10514 1 20 . 1 1 47 47 MET H H 47 7.864 7.864 7.735 0.129 25810 10515 1 20 . 1 1 48 48 LEU N N 48 117.884 117.884 117.900 -0.016 25810 10516 1 20 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.241 0.121 25810 10517 1 20 . 1 1 48 48 LEU CA C 48 54.538 54.538 54.930 -0.392 25810 10518 1 20 . 1 1 48 48 LEU CB C 48 41.818 41.818 41.741 0.077 25810 10519 1 20 . 1 1 48 48 LEU H H 48 7.485 7.485 7.582 -0.097 25810 10520 1 20 . 1 1 49 49 GLY N N 49 107.912 107.912 106.785 1.127 25810 10521 1 20 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.971 0.992 25810 10522 1 20 . 1 1 49 49 GLY H H 49 7.884 7.884 7.758 0.126 25810 10523 1 20 . 1 1 50 50 GLN N N 50 117.606 117.606 118.322 -0.716 25810 10524 1 20 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.533 -0.032 25810 10525 1 20 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.110 -0.718 25810 10526 1 20 . 1 1 50 50 GLN CB C 50 30.773 30.773 32.379 -1.606 25810 10527 1 20 . 1 1 50 50 GLN H H 50 8.096 8.096 7.625 0.471 25810 10528 1 20 . 1 1 51 51 ASN N N 51 116.663 116.663 119.160 -2.497 25810 10529 1 20 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.011 0.111 25810 10530 1 20 . 1 1 51 51 ASN CA C 51 51.230 51.230 51.072 0.158 25810 10531 1 20 . 1 1 51 51 ASN CB C 51 39.146 39.146 39.310 -0.164 25810 10532 1 20 . 1 1 51 51 ASN H H 51 8.693 8.693 8.715 -0.022 25810 10533 1 20 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.634 0.055 25810 10534 1 20 . 1 1 53 53 THR N N 53 113.865 113.865 112.204 1.661 25810 10535 1 20 . 1 1 53 53 THR H H 53 8.985 8.985 7.886 1.099 25810 10536 1 20 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.112 0.074 25810 10537 1 20 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.940 0.322 25810 10538 1 20 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.810 0.080 25810 10539 1 20 . 1 1 55 55 GLU N N 55 117.475 117.475 117.196 0.279 25810 10540 1 20 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.125 -0.081 25810 10541 1 20 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.856 0.759 25810 10542 1 20 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.037 -0.302 25810 10543 1 20 . 1 1 55 55 GLU H H 55 8.785 8.785 8.757 0.028 25810 10544 1 20 . 1 1 56 56 GLU N N 56 121.699 121.699 119.101 2.598 25810 10545 1 20 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.118 -0.094 25810 10546 1 20 . 1 1 56 56 GLU CA C 56 59.255 59.255 59.460 -0.205 25810 10547 1 20 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.211 0.885 25810 10548 1 20 . 1 1 56 56 GLU H H 56 7.815 7.815 8.285 -0.470 25810 10549 1 20 . 1 1 57 57 LEU N N 57 118.421 118.421 116.372 2.049 25810 10550 1 20 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.266 -0.253 25810 10551 1 20 . 1 1 57 57 LEU CA C 57 56.562 56.562 57.851 -1.289 25810 10552 1 20 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.053 1.679 25810 10553 1 20 . 1 1 57 57 LEU H H 57 8.246 8.246 7.769 0.477 25810 10554 1 20 . 1 1 58 58 GLN N N 58 118.349 118.349 119.781 -1.432 25810 10555 1 20 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.845 -0.148 25810 10556 1 20 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.387 -1.050 25810 10557 1 20 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.559 0.009 25810 10558 1 20 . 1 1 58 58 GLN H H 58 8.003 8.003 8.000 0.003 25810 10559 1 20 . 1 1 59 59 GLU N N 59 119.049 119.049 119.793 -0.744 25810 10560 1 20 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.141 -0.044 25810 10561 1 20 . 1 1 59 59 GLU CA C 59 59.641 59.641 58.754 0.887 25810 10562 1 20 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.351 0.270 25810 10563 1 20 . 1 1 59 59 GLU H H 59 7.979 7.979 7.989 -0.010 25810 10564 1 20 . 1 1 60 60 MET N N 60 117.492 117.492 119.513 -2.021 25810 10565 1 20 . 1 1 60 60 MET HA H 60 4.083 4.083 4.088 -0.005 25810 10566 1 20 . 1 1 60 60 MET CA C 60 59.764 59.764 60.058 -0.294 25810 10567 1 20 . 1 1 60 60 MET CB C 60 34.533 34.533 32.827 1.706 25810 10568 1 20 . 1 1 60 60 MET H H 60 7.776 7.776 7.595 0.181 25810 10569 1 20 . 1 1 61 61 ILE N N 61 118.035 118.035 119.879 -1.844 25810 10570 1 20 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.653 0.064 25810 10571 1 20 . 1 1 61 61 ILE CA C 61 63.113 63.113 64.761 -1.648 25810 10572 1 20 . 1 1 61 61 ILE CB C 61 36.290 36.290 38.053 -1.763 25810 10573 1 20 . 1 1 61 61 ILE H H 61 7.564 7.564 8.242 -0.678 25810 10574 1 20 . 1 1 62 62 ASP N N 62 119.355 119.355 121.098 -1.743 25810 10575 1 20 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.279 0.068 25810 10576 1 20 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.422 0.254 25810 10577 1 20 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.423 -0.071 25810 10578 1 20 . 1 1 62 62 ASP H H 62 8.801 8.801 7.739 1.062 25810 10579 1 20 . 1 1 63 63 GLU N N 63 116.439 116.439 119.510 -3.071 25810 10580 1 20 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.100 -0.037 25810 10581 1 20 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.831 -0.010 25810 10582 1 20 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.853 0.271 25810 10583 1 20 . 1 1 63 63 GLU H H 63 7.702 7.702 7.833 -0.131 25810 10584 1 20 . 1 1 64 64 VAL N N 64 112.796 112.796 118.576 -5.780 25810 10585 1 20 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.767 0.427 25810 10586 1 20 . 1 1 64 64 VAL CA C 64 61.611 61.611 65.108 -3.497 25810 10587 1 20 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.137 0.527 25810 10588 1 20 . 1 1 64 64 VAL H H 64 7.151 7.151 7.741 -0.590 25810 10589 1 20 . 1 1 65 65 ASP N N 65 121.138 121.138 118.941 2.197 25810 10590 1 20 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.246 0.264 25810 10591 1 20 . 1 1 65 65 ASP CA C 65 53.565 53.565 56.199 -2.634 25810 10592 1 20 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.454 -0.437 25810 10593 1 20 . 1 1 65 65 ASP H H 65 7.866 7.866 7.855 0.011 25810 10594 1 20 . 1 1 66 66 GLU N N 66 128.324 128.324 123.987 4.337 25810 10595 1 20 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.049 0.145 25810 10596 1 20 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.286 0.166 25810 10597 1 20 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.468 0.645 25810 10598 1 20 . 1 1 66 66 GLU H H 66 8.187 8.187 9.209 -1.022 25810 10599 1 20 . 1 1 67 67 ASP N N 67 114.662 114.662 115.238 -0.576 25810 10600 1 20 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.662 0.028 25810 10601 1 20 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.082 -0.322 25810 10602 1 20 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.675 -0.321 25810 10603 1 20 . 1 1 67 67 ASP H H 67 8.111 8.111 8.162 -0.051 25810 10604 1 20 . 1 1 68 68 GLY N N 68 109.084 109.084 108.779 0.305 25810 10605 1 20 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.114 1.022 25810 10606 1 20 . 1 1 68 68 GLY H H 68 7.771 7.771 8.585 -0.814 25810 10607 1 20 . 1 1 69 69 SER N N 69 117.283 117.283 117.209 0.074 25810 10608 1 20 . 1 1 69 69 SER HA H 69 4.217 4.217 4.306 -0.089 25810 10609 1 20 . 1 1 69 69 SER CA C 69 60.270 60.270 58.995 1.275 25810 10610 1 20 . 1 1 69 69 SER CB C 69 64.648 64.648 63.743 0.905 25810 10611 1 20 . 1 1 69 69 SER H H 69 8.632 8.632 8.713 -0.081 25810 10612 1 20 . 1 1 70 70 GLY N N 70 116.242 116.242 110.160 6.082 25810 10613 1 20 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.511 -0.023 25810 10614 1 20 . 1 1 70 70 GLY H H 70 10.710 10.710 8.878 1.832 25810 10615 1 20 . 1 1 71 71 THR N N 71 106.843 106.843 114.869 -8.026 25810 10616 1 20 . 1 1 71 71 THR HA H 71 4.941 4.941 4.592 0.349 25810 10617 1 20 . 1 1 71 71 THR CA C 71 58.422 58.422 61.801 -3.379 25810 10618 1 20 . 1 1 71 71 THR CB C 71 73.822 73.822 72.626 1.196 25810 10619 1 20 . 1 1 71 71 THR H H 71 7.551 7.551 7.622 -0.071 25810 10620 1 20 . 1 1 72 72 VAL N N 72 127.231 127.231 126.260 0.971 25810 10621 1 20 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.393 0.681 25810 10622 1 20 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.603 0.194 25810 10623 1 20 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.907 1.018 25810 10624 1 20 . 1 1 72 72 VAL H H 72 9.690 9.690 8.328 1.362 25810 10625 1 20 . 1 1 73 73 ASP N N 73 129.232 129.232 126.273 2.959 25810 10626 1 20 . 1 1 73 73 ASP HA H 73 5.092 5.092 5.069 0.023 25810 10627 1 20 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.282 -0.901 25810 10628 1 20 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.978 -0.938 25810 10629 1 20 . 1 1 73 73 ASP H H 73 8.828 8.828 8.053 0.775 25810 10630 1 20 . 1 1 74 74 PHE N N 74 118.313 118.313 121.103 -2.790 25810 10631 1 20 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.524 -0.243 25810 10632 1 20 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.008 -0.639 25810 10633 1 20 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.015 -0.425 25810 10634 1 20 . 1 1 74 74 PHE H H 74 8.496 8.496 8.866 -0.370 25810 10635 1 20 . 1 1 75 75 ASP N N 75 117.592 117.592 117.525 0.067 25810 10636 1 20 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.180 -0.256 25810 10637 1 20 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.206 0.651 25810 10638 1 20 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.038 0.946 25810 10639 1 20 . 1 1 75 75 ASP H H 75 7.708 7.708 8.752 -1.044 25810 10640 1 20 . 1 1 76 76 GLU N N 76 120.100 120.100 120.049 0.051 25810 10641 1 20 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.009 -0.090 25810 10642 1 20 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.003 -0.593 25810 10643 1 20 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.227 0.999 25810 10644 1 20 . 1 1 76 76 GLU H H 76 8.267 8.267 8.303 -0.036 25810 10645 1 20 . 1 1 77 77 PHE N N 77 122.101 122.101 120.819 1.282 25810 10646 1 20 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.085 -0.394 25810 10647 1 20 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.751 -0.834 25810 10648 1 20 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.008 1.062 25810 10649 1 20 . 1 1 77 77 PHE H H 77 8.760 8.760 8.543 0.217 25810 10650 1 20 . 1 1 78 78 LEU N N 78 120.110 120.110 119.213 0.897 25810 10651 1 20 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.734 -0.507 25810 10652 1 20 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.763 -0.647 25810 10653 1 20 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.040 0.570 25810 10654 1 20 . 1 1 78 78 LEU H H 78 8.404 8.404 7.538 0.866 25810 10655 1 20 . 1 1 79 79 VAL N N 79 116.259 116.259 118.934 -2.675 25810 10656 1 20 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.560 -0.353 25810 10657 1 20 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.398 0.231 25810 10658 1 20 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.259 0.178 25810 10659 1 20 . 1 1 79 79 VAL H H 79 7.132 7.132 7.508 -0.376 25810 10660 1 20 . 1 1 80 80 MET N N 80 118.429 118.429 118.926 -0.497 25810 10661 1 20 . 1 1 80 80 MET HA H 80 3.810 3.810 3.862 -0.052 25810 10662 1 20 . 1 1 80 80 MET CA C 80 57.828 57.828 57.948 -0.120 25810 10663 1 20 . 1 1 80 80 MET CB C 80 31.114 31.114 32.186 -1.072 25810 10664 1 20 . 1 1 80 80 MET H H 80 7.191 7.191 8.199 -1.008 25810 10665 1 20 . 1 1 81 81 MET H H 81 8.104 8.104 7.882 0.222 25810 10666 1 20 . 1 1 86 86 LYS N N 86 118.058 118.058 121.795 -3.737 25810 10667 1 20 . 1 1 86 86 LYS HA H 86 4.300 4.300 4.042 0.258 25810 10668 1 20 . 1 1 86 86 LYS CA C 86 57.398 57.398 58.709 -1.311 25810 10669 1 20 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.615 0.231 25810 10670 1 20 . 1 1 86 86 LYS H H 86 7.750 7.750 8.239 -0.489 25810 10671 1 20 . 1 1 87 87 ASP N N 87 120.199 120.199 119.520 0.679 25810 10672 1 20 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.360 0.298 25810 10673 1 20 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.392 -2.275 25810 10674 1 20 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.438 0.938 25810 10675 1 20 . 1 1 87 87 ASP H H 87 8.102 8.102 8.673 -0.571 25810 10676 1 20 . 1 1 88 88 ASP N N 88 121.497 121.497 119.162 2.335 25810 10677 1 20 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.470 0.220 25810 10678 1 20 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.808 -2.142 25810 10679 1 20 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.469 0.688 25810 10680 1 20 . 1 1 88 88 ASP H H 88 8.363 8.363 7.781 0.582 25810 10681 1 20 . 1 1 89 89 SER N N 89 115.602 115.602 114.286 1.316 25810 10682 1 20 . 1 1 89 89 SER HA H 89 4.347 4.347 4.258 0.089 25810 10683 1 20 . 1 1 89 89 SER CA C 89 59.571 59.571 60.859 -1.288 25810 10684 1 20 . 1 1 89 89 SER CB C 89 63.999 63.999 62.693 1.306 25810 10685 1 20 . 1 1 89 89 SER H H 89 8.251 8.251 7.502 0.749 25810 10686 1 20 . 1 1 90 90 GLU N N 90 121.265 121.265 121.608 -0.343 25810 10687 1 20 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.124 0.106 25810 10688 1 20 . 1 1 90 90 GLU CA C 90 57.052 57.052 58.837 -1.785 25810 10689 1 20 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.753 0.057 25810 10690 1 20 . 1 1 90 90 GLU H H 90 8.331 8.331 7.846 0.485 25810 10691 1 20 . 1 1 91 91 ASN N N 91 118.544 118.544 113.915 4.629 25810 10692 1 20 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.735 -0.080 25810 10693 1 20 . 1 1 91 91 ASN CA C 91 53.461 53.461 52.544 0.917 25810 10694 1 20 . 1 1 91 91 ASN CB C 91 39.208 39.208 39.440 -0.232 25810 10695 1 20 . 1 1 91 91 ASN H H 91 8.131 8.131 7.812 0.319 25810 10696 1 20 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.628 -0.635 25810 10697 1 20 . 1 1 95 95 GLN CA C 95 56.411 56.411 54.488 1.923 25810 10698 1 20 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.896 -0.614 25810 10699 1 20 . 1 1 96 96 GLY N N 96 109.372 109.372 108.072 1.300 25810 10700 1 20 . 1 1 96 96 GLY CA C 96 45.688 45.688 44.831 0.857 25810 10701 1 20 . 1 1 96 96 GLY H H 96 8.110 8.110 8.383 -0.273 25810 10702 1 20 . 1 1 97 97 ARG N N 97 120.154 120.154 122.025 -1.871 25810 10703 1 20 . 1 1 97 97 ARG HA H 97 4.467 4.467 3.975 0.492 25810 10704 1 20 . 1 1 97 97 ARG CA C 97 55.566 55.566 58.516 -2.950 25810 10705 1 20 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.418 1.087 25810 10706 1 20 . 1 1 97 97 ARG H H 97 7.966 7.966 8.502 -0.536 25810 10707 1 20 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.267 -0.125 25810 10708 1 20 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.411 -0.372 25810 10709 1 20 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.155 -1.280 25810 10710 1 20 . 1 1 100 100 ARG N N 100 125.661 125.661 124.905 0.756 25810 10711 1 20 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.512 -0.011 25810 10712 1 20 . 1 1 100 100 ARG CA C 100 55.557 55.557 56.349 -0.792 25810 10713 1 20 . 1 1 100 100 ARG H H 100 8.379 8.379 8.743 -0.364 25810 10714 1 20 . 1 1 102 102 SER HA H 102 4.356 4.356 4.707 -0.351 25810 10715 1 20 . 1 1 102 102 SER CA C 102 57.361 57.361 57.265 0.096 25810 10716 1 20 . 1 1 102 102 SER CB C 102 65.237 65.237 65.184 0.052 25810 10717 1 20 . 1 1 103 103 ALA N N 103 125.468 125.468 125.640 -0.172 25810 10718 1 20 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.065 -0.054 25810 10719 1 20 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.054 0.931 25810 10720 1 20 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.206 0.387 25810 10721 1 20 . 1 1 103 103 ALA H H 103 9.148 9.148 8.853 0.295 25810 10722 1 20 . 1 1 104 104 ASP N N 104 115.217 115.217 118.244 -3.027 25810 10723 1 20 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.450 -0.142 25810 10724 1 20 . 1 1 104 104 ASP CA C 104 57.307 57.307 56.750 0.557 25810 10725 1 20 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.316 0.662 25810 10726 1 20 . 1 1 104 104 ASP H H 104 8.517 8.517 8.808 -0.291 25810 10727 1 20 . 1 1 105 105 ALA N N 105 122.884 122.884 123.021 -0.137 25810 10728 1 20 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.390 -0.310 25810 10729 1 20 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.585 0.519 25810 10730 1 20 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.718 -0.381 25810 10731 1 20 . 1 1 105 105 ALA H H 105 7.953 7.953 7.997 -0.044 25810 10732 1 20 . 1 1 106 106 MET N N 106 118.710 118.710 119.304 -0.594 25810 10733 1 20 . 1 1 106 106 MET HA H 106 3.987 3.987 4.079 -0.092 25810 10734 1 20 . 1 1 106 106 MET CA C 106 59.704 59.704 59.274 0.430 25810 10735 1 20 . 1 1 106 106 MET CB C 106 33.450 33.450 32.924 0.526 25810 10736 1 20 . 1 1 106 106 MET H H 106 8.186 8.186 8.128 0.058 25810 10737 1 20 . 1 1 107 107 MET N N 107 116.864 116.864 117.510 -0.646 25810 10738 1 20 . 1 1 107 107 MET HA H 107 4.446 4.446 4.187 0.259 25810 10739 1 20 . 1 1 107 107 MET CA C 107 57.649 57.649 58.316 -0.667 25810 10740 1 20 . 1 1 107 107 MET CB C 107 31.359 31.359 31.455 -0.096 25810 10741 1 20 . 1 1 107 107 MET H H 107 8.483 8.483 8.082 0.401 25810 10742 1 20 . 1 1 108 108 GLN N N 108 117.959 117.959 119.674 -1.715 25810 10743 1 20 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.941 0.068 25810 10744 1 20 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.955 0.031 25810 10745 1 20 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.557 -0.037 25810 10746 1 20 . 1 1 108 108 GLN H H 108 8.359 8.359 7.823 0.536 25810 10747 1 20 . 1 1 109 109 ALA N N 109 121.657 121.657 122.814 -1.157 25810 10748 1 20 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.085 0.054 25810 10749 1 20 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.999 -0.235 25810 10750 1 20 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.405 0.034 25810 10751 1 20 . 1 1 109 109 ALA H H 109 7.855 7.855 8.203 -0.348 25810 10752 1 20 . 1 1 110 110 LEU N N 110 116.183 116.183 118.235 -2.052 25810 10753 1 20 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.033 0.092 25810 10754 1 20 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.546 -0.114 25810 10755 1 20 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.070 0.562 25810 10756 1 20 . 1 1 110 110 LEU H H 110 7.933 7.933 7.744 0.189 25810 10757 1 20 . 1 1 111 111 LEU CA C 111 55.610 55.610 54.611 0.999 25810 10758 1 20 . 1 1 111 111 LEU CB C 111 42.892 42.892 41.529 1.363 25810 10759 1 20 . 1 1 112 112 GLY N N 112 109.198 109.198 107.074 2.124 25810 10760 1 20 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.491 0.576 25810 10761 1 20 . 1 1 112 112 GLY H H 112 7.928 7.928 7.596 0.332 25810 10762 1 20 . 1 1 113 113 ALA N N 113 124.374 124.374 118.882 5.492 25810 10763 1 20 . 1 1 113 113 ALA HA H 113 4.263 4.263 3.830 0.433 25810 10764 1 20 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.884 0.520 25810 10765 1 20 . 1 1 113 113 ALA CB C 113 18.713 18.713 17.882 0.831 25810 10766 1 20 . 1 1 113 113 ALA H H 113 8.211 8.211 8.402 -0.191 25810 10767 1 20 . 1 1 114 114 ARG N N 114 117.947 117.947 119.126 -1.179 25810 10768 1 20 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.130 0.117 25810 10769 1 20 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.864 -0.296 25810 10770 1 20 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.575 -0.186 25810 10771 1 20 . 1 1 114 114 ARG H H 114 7.974 7.974 7.510 0.464 25810 10772 1 20 . 1 1 115 115 ALA N N 115 123.079 123.079 129.589 -6.510 25810 10773 1 20 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.638 -0.422 25810 10774 1 20 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.023 0.760 25810 10775 1 20 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.878 -0.963 25810 10776 1 20 . 1 1 115 115 ALA H H 115 7.969 7.969 7.740 0.229 25810 10777 1 20 . 1 1 116 116 LYS N N 116 120.562 120.562 121.519 -0.957 25810 10778 1 20 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.000 0.239 25810 10779 1 20 . 1 1 116 116 LYS CA C 116 57.421 57.421 59.502 -2.081 25810 10780 1 20 . 1 1 116 116 LYS CB C 116 33.373 33.373 32.305 1.068 25810 10781 1 20 . 1 1 116 116 LYS H H 116 8.310 8.310 8.594 -0.284 25810 10782 1 20 . 1 1 117 117 GLU N N 117 121.115 121.115 117.947 3.168 25810 10783 1 20 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.075 0.184 25810 10784 1 20 . 1 1 117 117 GLU CA C 117 57.347 57.347 58.965 -1.618 25810 10785 1 20 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.077 0.960 25810 10786 1 20 . 1 1 117 117 GLU H H 117 8.646 8.646 8.717 -0.071 25810 10787 1 20 . 1 1 118 118 SER N N 118 115.616 115.616 112.832 2.784 25810 10788 1 20 . 1 1 118 118 SER HA H 118 4.322 4.322 4.218 0.104 25810 10789 1 20 . 1 1 118 118 SER CA C 118 59.082 59.082 61.005 -1.923 25810 10790 1 20 . 1 1 118 118 SER CB C 118 63.624 63.624 63.660 -0.036 25810 10791 1 20 . 1 1 118 118 SER H H 118 8.346 8.346 7.513 0.833 25810 10792 1 20 . 1 1 119 119 LEU N N 119 122.984 122.984 119.999 2.985 25810 10793 1 20 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.159 0.149 25810 10794 1 20 . 1 1 119 119 LEU CA C 119 55.503 55.503 56.937 -1.434 25810 10795 1 20 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.467 -0.206 25810 10796 1 20 . 1 1 119 119 LEU H H 119 7.970 7.970 7.905 0.065 25810 10797 1 20 . 1 1 120 120 ASP N N 120 120.516 120.516 115.542 4.974 25810 10798 1 20 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.302 0.308 25810 10799 1 20 . 1 1 120 120 ASP CA C 120 54.452 54.452 55.727 -1.275 25810 10800 1 20 . 1 1 120 120 ASP CB C 120 41.020 41.020 39.422 1.598 25810 10801 1 20 . 1 1 120 120 ASP H H 120 8.149 8.149 8.731 -0.582 25810 10802 1 20 . 1 1 121 121 LEU N N 121 122.598 122.598 116.481 6.117 25810 10803 1 20 . 1 1 121 121 LEU HA H 121 4.275 4.275 3.887 0.388 25810 10804 1 20 . 1 1 121 121 LEU CA C 121 56.021 56.021 56.163 -0.143 25810 10805 1 20 . 1 1 121 121 LEU CB C 121 42.054 42.054 41.157 0.897 25810 10806 1 20 . 1 1 121 121 LEU H H 121 8.111 8.111 8.398 -0.287 25810 10807 1 20 . 1 1 122 122 ARG N N 122 119.425 119.425 113.455 5.970 25810 10808 1 20 . 1 1 122 122 ARG HA H 122 4.247 4.247 3.899 0.348 25810 10809 1 20 . 1 1 122 122 ARG CA C 122 56.615 56.615 57.163 -0.548 25810 10810 1 20 . 1 1 122 122 ARG CB C 122 30.436 30.436 26.824 3.612 25810 10811 1 20 . 1 1 122 122 ARG H H 122 8.131 8.131 7.896 0.235 25810 10812 1 20 . 1 1 123 123 ALA CA C 123 53.144 53.144 51.082 2.062 25810 10813 1 20 . 1 1 123 123 ALA CB C 123 19.123 19.123 21.247 -2.124 25810 10814 1 20 . 1 1 124 124 HIS N N 124 117.075 117.075 124.274 -7.199 25810 10815 1 20 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.868 0.229 25810 10816 1 20 . 1 1 124 124 HIS CB C 124 30.425 30.425 29.108 1.317 25810 10817 1 20 . 1 1 124 124 HIS H H 124 8.185 8.185 8.660 -0.475 25810 10818 1 20 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.716 -0.362 25810 10819 1 20 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.536 0.721 25810 10820 1 20 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.766 -0.465 25810 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 114 2.783 0.163 2.791 25810 2 1 1 "Average Difference" HA 126 0.243 -0.034 0.242 25810 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25810 4 1 1 "Average Difference" CA 120 1.080 0.085 1.081 25810 5 1 1 "Average Difference" CB 110 0.762 -0.131 0.754 25810 6 1 1 "Average Difference" HN 115 0.534 -0.078 0.531 25810 7 1 2 "Average Difference" N 114 2.510 0.034 2.521 25810 8 1 2 "Average Difference" HA 126 0.253 -0.076 0.242 25810 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25810 10 1 2 "Average Difference" CA 120 1.166 0.085 1.167 25810 11 1 2 "Average Difference" CB 110 0.947 -0.257 0.916 25810 12 1 2 "Average Difference" HN 115 0.451 -0.087 0.445 25810 13 1 3 "Average Difference" N 114 2.753 0.155 2.761 25810 14 1 3 "Average Difference" HA 126 0.234 -0.043 0.231 25810 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25810 16 1 3 "Average Difference" CA 120 1.099 0.015 1.104 25810 17 1 3 "Average Difference" CB 110 0.894 -0.152 0.885 25810 18 1 3 "Average Difference" HN 115 0.452 -0.090 0.444 25810 19 1 4 "Average Difference" N 114 2.496 0.215 2.498 25810 20 1 4 "Average Difference" HA 126 0.250 -0.044 0.248 25810 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25810 22 1 4 "Average Difference" CA 120 1.192 0.111 1.191 25810 23 1 4 "Average Difference" CB 110 0.728 -0.161 0.713 25810 24 1 4 "Average Difference" HN 115 0.449 -0.053 0.448 25810 25 1 5 "Average Difference" N 114 2.777 -0.126 2.786 25810 26 1 5 "Average Difference" HA 126 0.278 -0.052 0.274 25810 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25810 28 1 5 "Average Difference" CA 120 1.035 0.125 1.032 25810 29 1 5 "Average Difference" CB 110 0.760 -0.207 0.735 25810 30 1 5 "Average Difference" HN 115 0.527 -0.100 0.520 25810 31 1 6 "Average Difference" N 114 2.439 -0.057 2.449 25810 32 1 6 "Average Difference" HA 126 0.255 -0.038 0.253 25810 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25810 34 1 6 "Average Difference" CA 120 1.056 0.026 1.060 25810 35 1 6 "Average Difference" CB 110 0.844 -0.114 0.840 25810 36 1 6 "Average Difference" HN 115 0.433 -0.046 0.432 25810 37 1 7 "Average Difference" N 114 2.657 0.075 2.667 25810 38 1 7 "Average Difference" HA 126 0.269 -0.061 0.264 25810 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25810 40 1 7 "Average Difference" CA 120 1.164 0.101 1.164 25810 41 1 7 "Average Difference" CB 110 0.902 -0.222 0.878 25810 42 1 7 "Average Difference" HN 115 0.501 -0.111 0.491 25810 43 1 8 "Average Difference" N 114 2.586 0.149 2.594 25810 44 1 8 "Average Difference" HA 126 0.293 -0.049 0.290 25810 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25810 46 1 8 "Average Difference" CA 120 1.194 0.081 1.197 25810 47 1 8 "Average Difference" CB 110 0.931 -0.206 0.912 25810 48 1 8 "Average Difference" HN 115 0.501 -0.116 0.489 25810 49 1 9 "Average Difference" N 114 2.816 0.181 2.822 25810 50 1 9 "Average Difference" HA 126 0.246 -0.047 0.243 25810 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25810 52 1 9 "Average Difference" CA 120 1.106 0.017 1.110 25810 53 1 9 "Average Difference" CB 110 0.876 -0.280 0.834 25810 54 1 9 "Average Difference" HN 115 0.490 -0.070 0.487 25810 55 1 10 "Average Difference" N 114 2.646 0.026 2.657 25810 56 1 10 "Average Difference" HA 126 0.260 -0.053 0.256 25810 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25810 58 1 10 "Average Difference" CA 120 1.155 0.156 1.149 25810 59 1 10 "Average Difference" CB 110 0.934 -0.291 0.892 25810 60 1 10 "Average Difference" HN 115 0.523 -0.068 0.521 25810 61 1 11 "Average Difference" N 114 2.285 0.104 2.293 25810 62 1 11 "Average Difference" HA 126 0.238 -0.076 0.227 25810 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25810 64 1 11 "Average Difference" CA 120 1.193 0.258 1.170 25810 65 1 11 "Average Difference" CB 110 0.711 -0.162 0.696 25810 66 1 11 "Average Difference" HN 115 0.464 -0.091 0.457 25810 67 1 12 "Average Difference" N 114 2.528 0.071 2.539 25810 68 1 12 "Average Difference" HA 126 0.267 -0.082 0.255 25810 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25810 70 1 12 "Average Difference" CA 120 1.098 0.130 1.095 25810 71 1 12 "Average Difference" CB 110 0.846 -0.196 0.827 25810 72 1 12 "Average Difference" HN 115 0.506 -0.098 0.499 25810 73 1 13 "Average Difference" N 114 2.452 -0.015 2.463 25810 74 1 13 "Average Difference" HA 126 0.257 -0.052 0.253 25810 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25810 76 1 13 "Average Difference" CA 120 1.128 0.103 1.128 25810 77 1 13 "Average Difference" CB 110 0.746 -0.231 0.713 25810 78 1 13 "Average Difference" HN 115 0.495 -0.049 0.495 25810 79 1 14 "Average Difference" N 114 2.400 0.126 2.407 25810 80 1 14 "Average Difference" HA 126 0.247 -0.032 0.246 25810 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25810 82 1 14 "Average Difference" CA 120 1.150 0.163 1.143 25810 83 1 14 "Average Difference" CB 110 0.839 -0.154 0.829 25810 84 1 14 "Average Difference" HN 115 0.513 -0.078 0.509 25810 85 1 15 "Average Difference" N 114 2.504 0.146 2.511 25810 86 1 15 "Average Difference" HA 126 0.228 -0.073 0.217 25810 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25810 88 1 15 "Average Difference" CA 120 1.105 0.087 1.106 25810 89 1 15 "Average Difference" CB 110 0.847 -0.132 0.841 25810 90 1 15 "Average Difference" HN 115 0.445 -0.058 0.443 25810 91 1 16 "Average Difference" N 114 2.290 0.321 2.278 25810 92 1 16 "Average Difference" HA 126 0.255 -0.051 0.250 25810 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25810 94 1 16 "Average Difference" CA 120 1.085 0.077 1.087 25810 95 1 16 "Average Difference" CB 110 0.795 -0.180 0.778 25810 96 1 16 "Average Difference" HN 115 0.431 -0.066 0.428 25810 97 1 17 "Average Difference" N 114 2.537 -0.039 2.548 25810 98 1 17 "Average Difference" HA 126 0.235 -0.082 0.221 25810 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25810 100 1 17 "Average Difference" CA 120 1.049 0.095 1.050 25810 101 1 17 "Average Difference" CB 110 0.765 -0.208 0.740 25810 102 1 17 "Average Difference" HN 115 0.463 -0.066 0.460 25810 103 1 18 "Average Difference" N 114 2.775 -0.043 2.787 25810 104 1 18 "Average Difference" HA 126 0.239 -0.042 0.236 25810 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25810 106 1 18 "Average Difference" CA 120 1.130 0.099 1.130 25810 107 1 18 "Average Difference" CB 110 0.853 -0.183 0.837 25810 108 1 18 "Average Difference" HN 115 0.445 -0.090 0.438 25810 109 1 19 "Average Difference" N 114 2.632 -0.158 2.639 25810 110 1 19 "Average Difference" HA 126 0.256 -0.063 0.249 25810 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25810 112 1 19 "Average Difference" CA 120 1.139 0.049 1.142 25810 113 1 19 "Average Difference" CB 110 0.878 -0.227 0.852 25810 114 1 19 "Average Difference" HN 115 0.448 -0.093 0.441 25810 115 1 20 "Average Difference" N 114 2.951 0.044 2.963 25810 116 1 20 "Average Difference" HA 126 0.257 -0.048 0.254 25810 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25810 118 1 20 "Average Difference" CA 120 1.150 0.169 1.142 25810 119 1 20 "Average Difference" CB 110 0.853 -0.169 0.840 25810 120 1 20 "Average Difference" HN 115 0.484 -0.048 0.484 25810 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 25810 _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 -9 -9 HIS CB C -9 30.577 30.577 30.047 0.530 25810 2 1 . 1 1 -7 -7 GLY N N -7 108.818 108.818 108.179 0.639 25810 3 1 . 1 1 -7 -7 GLY CA C -7 45.184 45.184 44.962 0.222 25810 4 1 . 1 1 -7 -7 GLY H H -7 8.330 8.330 8.373 -0.043 25810 5 1 . 1 1 0 0 ASP N N 0 701.020 701.020 697.693 3.327 25810 6 1 . 1 1 0 0 ASP HA H 0 21.889 21.889 21.687 0.202 25810 7 1 . 1 1 0 0 ASP CA C 0 384.441 384.441 386.600 -2.159 25810 8 1 . 1 1 0 0 ASP CB C 0 202.258 202.258 202.053 0.205 25810 9 1 . 1 1 0 0 ASP H H 0 58.070 58.070 57.406 0.664 25810 10 1 . 1 1 1 1 MET N N 1 121.815 121.815 121.020 0.795 25810 11 1 . 1 1 1 1 MET HA H 1 4.450 4.450 4.424 0.026 25810 12 1 . 1 1 1 1 MET CA C 1 55.996 55.996 56.308 -0.312 25810 13 1 . 1 1 1 1 MET CB C 1 32.334 32.334 32.202 0.132 25810 14 1 . 1 1 1 1 MET H H 1 8.553 8.553 8.432 0.121 25810 15 1 . 1 1 2 2 ASP N N 2 119.828 119.828 121.091 -1.263 25810 16 1 . 1 1 2 2 ASP HA H 2 4.481 4.481 4.357 0.124 25810 17 1 . 1 1 2 2 ASP CA C 2 56.123 56.123 57.457 -1.334 25810 18 1 . 1 1 2 2 ASP CB C 2 41.111 41.111 40.290 0.821 25810 19 1 . 1 1 3 3 ASP N N 3 119.912 119.912 120.056 -0.144 25810 20 1 . 1 1 3 3 ASP HA H 3 4.476 4.476 4.425 0.051 25810 21 1 . 1 1 3 3 ASP CA C 3 56.220 56.220 56.896 -0.676 25810 22 1 . 1 1 3 3 ASP CB C 3 40.942 40.942 40.445 0.497 25810 23 1 . 1 1 3 3 ASP H H 3 8.098 8.098 8.325 -0.227 25810 24 1 . 1 1 4 4 ILE N N 4 120.617 120.617 120.301 0.316 25810 25 1 . 1 1 4 4 ILE HA H 4 3.847 3.847 3.646 0.201 25810 26 1 . 1 1 4 4 ILE CA C 4 63.837 63.837 64.526 -0.690 25810 27 1 . 1 1 4 4 ILE CB C 4 37.788 37.788 37.870 -0.082 25810 28 1 . 1 1 4 4 ILE H H 4 7.897 7.897 7.524 0.373 25810 29 1 . 1 1 5 5 TYR N N 5 121.116 121.116 119.467 1.649 25810 30 1 . 1 1 5 5 TYR HA H 5 4.308 4.308 3.984 0.324 25810 31 1 . 1 1 5 5 TYR CA C 5 60.251 60.251 61.739 -1.488 25810 32 1 . 1 1 5 5 TYR CB C 5 37.589 37.589 37.905 -0.316 25810 33 1 . 1 1 5 5 TYR H H 5 7.961 7.961 7.889 0.072 25810 34 1 . 1 1 6 6 LYS N N 6 120.005 120.005 119.130 0.875 25810 35 1 . 1 1 6 6 LYS HA H 6 3.923 3.923 3.863 0.060 25810 36 1 . 1 1 6 6 LYS CA C 6 59.544 59.544 59.197 0.347 25810 37 1 . 1 1 6 6 LYS CB C 6 32.355 32.355 32.226 0.129 25810 38 1 . 1 1 6 6 LYS H H 6 8.008 8.008 8.288 -0.280 25810 39 1 . 1 1 7 7 ALA N N 7 120.589 120.589 121.491 -0.902 25810 40 1 . 1 1 7 7 ALA HA H 7 4.154 4.154 4.116 0.038 25810 41 1 . 1 1 7 7 ALA CA C 7 54.517 54.517 54.882 -0.365 25810 42 1 . 1 1 7 7 ALA CB C 7 18.086 18.086 18.165 -0.079 25810 43 1 . 1 1 7 7 ALA H H 7 7.816 7.816 8.046 -0.230 25810 44 1 . 1 1 8 8 ALA N N 8 120.065 120.065 121.392 -1.327 25810 45 1 . 1 1 8 8 ALA HA H 8 4.154 4.154 3.960 0.193 25810 46 1 . 1 1 8 8 ALA CA C 8 54.698 54.698 54.952 -0.254 25810 47 1 . 1 1 8 8 ALA CB C 8 18.483 18.483 18.217 0.267 25810 48 1 . 1 1 8 8 ALA H H 8 7.622 7.622 7.872 -0.250 25810 49 1 . 1 1 9 9 VAL N N 9 118.101 118.101 117.819 0.282 25810 50 1 . 1 1 9 9 VAL HA H 9 3.559 3.559 3.687 -0.128 25810 51 1 . 1 1 9 9 VAL CA C 9 66.034 66.034 66.124 -0.090 25810 52 1 . 1 1 9 9 VAL CB C 9 31.682 31.682 31.412 0.270 25810 53 1 . 1 1 9 9 VAL H H 9 7.974 7.974 7.661 0.313 25810 54 1 . 1 1 10 10 GLU N N 10 118.217 118.217 118.917 -0.700 25810 55 1 . 1 1 10 10 GLU HA H 10 4.127 4.127 4.022 0.106 25810 56 1 . 1 1 10 10 GLU CA C 10 58.269 58.269 58.846 -0.577 25810 57 1 . 1 1 10 10 GLU CB C 10 29.564 29.564 29.663 -0.099 25810 58 1 . 1 1 10 10 GLU H H 10 7.682 7.682 7.837 -0.155 25810 59 1 . 1 1 11 11 GLN N N 11 114.903 114.903 116.234 -1.331 25810 60 1 . 1 1 11 11 GLN HA H 11 4.323 4.323 4.230 0.093 25810 61 1 . 1 1 11 11 GLN CA C 11 55.652 55.652 56.807 -1.155 25810 62 1 . 1 1 11 11 GLN CB C 11 29.447 29.447 29.752 -0.305 25810 63 1 . 1 1 11 11 GLN H H 11 7.404 7.404 7.769 -0.365 25810 64 1 . 1 1 12 12 LEU N N 12 120.467 120.467 120.229 0.238 25810 65 1 . 1 1 12 12 LEU HA H 12 4.582 4.582 4.476 0.106 25810 66 1 . 1 1 12 12 LEU CA C 12 54.997 54.997 54.296 0.701 25810 67 1 . 1 1 12 12 LEU CB C 12 43.566 43.566 43.132 0.434 25810 68 1 . 1 1 12 12 LEU H H 12 7.354 7.354 7.947 -0.593 25810 69 1 . 1 1 13 13 THR N N 13 113.431 113.431 112.044 1.387 25810 70 1 . 1 1 13 13 THR HA H 13 4.462 4.462 4.538 -0.076 25810 71 1 . 1 1 13 13 THR CA C 13 60.759 60.759 60.123 0.636 25810 72 1 . 1 1 13 13 THR CB C 13 71.101 71.101 70.908 0.192 25810 73 1 . 1 1 13 13 THR H H 13 8.844 8.844 8.144 0.700 25810 74 1 . 1 1 14 14 GLU N N 14 121.790 121.790 121.371 0.419 25810 75 1 . 1 1 14 14 GLU HA H 14 3.963 3.963 4.000 -0.037 25810 76 1 . 1 1 14 14 GLU CA C 14 59.874 59.874 60.338 -0.464 25810 77 1 . 1 1 14 14 GLU CB C 14 29.318 29.318 29.300 0.018 25810 78 1 . 1 1 14 14 GLU H H 14 9.013 9.013 8.944 0.069 25810 79 1 . 1 1 15 15 GLU N N 15 117.495 117.495 118.861 -1.366 25810 80 1 . 1 1 15 15 GLU HA H 15 4.060 4.060 4.068 -0.008 25810 81 1 . 1 1 15 15 GLU CA C 15 60.332 60.332 59.424 0.908 25810 82 1 . 1 1 15 15 GLU CB C 15 29.176 29.176 29.132 0.044 25810 83 1 . 1 1 15 15 GLU H H 15 8.653 8.653 8.473 0.180 25810 84 1 . 1 1 16 16 GLN N N 16 119.205 119.205 118.801 0.404 25810 85 1 . 1 1 16 16 GLN HA H 16 3.857 3.857 4.146 -0.289 25810 86 1 . 1 1 16 16 GLN CA C 16 58.948 58.948 58.580 0.368 25810 87 1 . 1 1 16 16 GLN CB C 16 29.731 29.731 28.556 1.176 25810 88 1 . 1 1 16 16 GLN H H 16 7.839 7.839 7.672 0.167 25810 89 1 . 1 1 17 17 LYS N N 17 119.027 119.027 120.114 -1.087 25810 90 1 . 1 1 17 17 LYS HA H 17 4.024 4.024 4.030 -0.006 25810 91 1 . 1 1 17 17 LYS CA C 17 61.688 61.688 59.743 1.945 25810 92 1 . 1 1 17 17 LYS CB C 17 32.056 32.056 32.213 -0.157 25810 93 1 . 1 1 17 17 LYS H H 17 8.539 8.539 8.039 0.500 25810 94 1 . 1 1 18 18 ASN N N 18 117.428 117.428 118.072 -0.645 25810 95 1 . 1 1 18 18 ASN HA H 18 4.562 4.562 4.480 0.082 25810 96 1 . 1 1 18 18 ASN CA C 18 56.173 56.173 56.466 -0.293 25810 97 1 . 1 1 18 18 ASN CB C 18 37.804 37.804 38.388 -0.584 25810 98 1 . 1 1 18 18 ASN H H 18 8.552 8.552 8.184 0.368 25810 99 1 . 1 1 19 19 GLU N N 19 123.611 123.611 120.490 3.121 25810 100 1 . 1 1 19 19 GLU HA H 19 4.205 4.205 4.074 0.131 25810 101 1 . 1 1 19 19 GLU CA C 19 59.798 59.798 59.335 0.463 25810 102 1 . 1 1 19 19 GLU CB C 19 29.406 29.406 29.508 -0.102 25810 103 1 . 1 1 19 19 GLU H H 19 8.012 8.012 7.863 0.149 25810 104 1 . 1 1 20 20 PHE N N 20 117.357 117.357 120.149 -2.792 25810 105 1 . 1 1 20 20 PHE HA H 20 4.854 4.854 4.293 0.561 25810 106 1 . 1 1 20 20 PHE CA C 20 60.733 60.733 61.277 -0.544 25810 107 1 . 1 1 20 20 PHE CB C 20 38.322 38.322 38.999 -0.677 25810 108 1 . 1 1 20 20 PHE H H 20 8.320 8.320 8.467 -0.147 25810 109 1 . 1 1 21 21 LYS N N 21 122.064 122.064 119.890 2.174 25810 110 1 . 1 1 21 21 LYS HA H 21 4.025 4.025 3.920 0.105 25810 111 1 . 1 1 21 21 LYS CA C 21 58.674 58.674 59.610 -0.936 25810 112 1 . 1 1 21 21 LYS CB C 21 31.684 31.684 32.138 -0.454 25810 113 1 . 1 1 21 21 LYS H H 21 8.864 8.864 8.264 0.600 25810 114 1 . 1 1 22 22 ALA N N 22 121.827 121.827 121.121 0.706 25810 115 1 . 1 1 22 22 ALA HA H 22 4.213 4.213 4.162 0.051 25810 116 1 . 1 1 22 22 ALA CB C 22 17.731 17.731 18.218 -0.487 25810 117 1 . 1 1 22 22 ALA H H 22 8.009 8.009 7.758 0.251 25810 118 1 . 1 1 23 23 ALA N N 23 119.945 119.945 121.538 -1.593 25810 119 1 . 1 1 23 23 ALA HA H 23 4.129 4.129 4.107 0.022 25810 120 1 . 1 1 23 23 ALA CA C 23 55.339 55.339 54.806 0.532 25810 121 1 . 1 1 23 23 ALA CB C 23 18.986 18.986 18.278 0.708 25810 122 1 . 1 1 23 23 ALA H H 23 8.178 8.178 7.898 0.280 25810 123 1 . 1 1 24 24 PHE N N 24 121.275 121.275 119.117 2.158 25810 124 1 . 1 1 24 24 PHE HA H 24 3.538 3.538 3.918 -0.380 25810 125 1 . 1 1 24 24 PHE CA C 24 62.413 62.413 61.288 1.125 25810 126 1 . 1 1 24 24 PHE CB C 24 39.741 39.741 39.143 0.598 25810 127 1 . 1 1 24 24 PHE H H 24 8.925 8.925 8.311 0.614 25810 128 1 . 1 1 25 25 ASP N N 25 117.407 117.407 119.659 -2.252 25810 129 1 . 1 1 25 25 ASP HA H 25 4.264 4.264 4.249 0.015 25810 130 1 . 1 1 25 25 ASP CA C 25 57.014 57.014 57.552 -0.538 25810 131 1 . 1 1 25 25 ASP CB C 25 39.897 39.897 40.605 -0.708 25810 132 1 . 1 1 25 25 ASP H H 25 8.714 8.714 8.130 0.584 25810 133 1 . 1 1 26 26 ILE N N 26 119.320 119.320 118.644 0.676 25810 134 1 . 1 1 26 26 ILE HA H 26 3.817 3.817 3.706 0.111 25810 135 1 . 1 1 26 26 ILE CA C 26 63.414 63.414 64.320 -0.906 25810 136 1 . 1 1 26 26 ILE CB C 26 37.442 37.442 37.947 -0.504 25810 137 1 . 1 1 26 26 ILE H H 26 7.337 7.337 7.477 -0.140 25810 138 1 . 1 1 27 27 PHE N N 27 123.734 123.734 118.553 5.181 25810 139 1 . 1 1 27 27 PHE CA C 27 60.576 60.576 61.217 -0.641 25810 140 1 . 1 1 27 27 PHE CB C 27 40.618 40.618 38.997 1.621 25810 141 1 . 1 1 27 27 PHE H H 27 8.139 8.139 7.856 0.283 25810 142 1 . 1 1 28 28 VAL N N 28 105.007 105.007 114.447 -9.440 25810 143 1 . 1 1 28 28 VAL HA H 28 4.083 4.083 3.856 0.228 25810 144 1 . 1 1 28 28 VAL CA C 28 61.156 61.156 62.152 -0.996 25810 145 1 . 1 1 28 28 VAL CB C 28 31.392 31.392 31.155 0.237 25810 146 1 . 1 1 28 28 VAL H H 28 7.505 7.505 7.575 -0.070 25810 147 1 . 1 1 29 29 LEU N N 29 126.175 126.175 122.097 4.078 25810 148 1 . 1 1 29 29 LEU HA H 29 4.095 4.095 4.109 -0.015 25810 149 1 . 1 1 29 29 LEU CA C 29 57.496 57.496 56.304 1.192 25810 150 1 . 1 1 29 29 LEU CB C 29 41.575 41.575 41.462 0.113 25810 151 1 . 1 1 29 29 LEU H H 29 7.274 7.274 7.333 -0.059 25810 152 1 . 1 1 30 30 GLY N N 30 113.173 113.173 111.266 1.907 25810 153 1 . 1 1 30 30 GLY CA C 30 45.540 45.540 45.042 0.499 25810 154 1 . 1 1 30 30 GLY H H 30 8.950 8.950 8.485 0.465 25810 155 1 . 1 1 31 31 ALA N N 31 124.109 124.109 123.403 0.706 25810 156 1 . 1 1 31 31 ALA HA H 31 4.457 4.457 4.434 0.023 25810 157 1 . 1 1 31 31 ALA CA C 31 52.228 52.228 51.373 0.855 25810 158 1 . 1 1 31 31 ALA CB C 31 19.922 19.922 19.346 0.576 25810 159 1 . 1 1 31 31 ALA H H 31 8.131 8.131 7.616 0.515 25810 160 1 . 1 1 32 32 GLU N N 32 124.956 124.956 123.931 1.025 25810 161 1 . 1 1 32 32 GLU HA H 32 4.100 4.100 4.054 0.046 25810 162 1 . 1 1 32 32 GLU CA C 32 59.093 59.093 58.757 0.336 25810 163 1 . 1 1 32 32 GLU CB C 32 29.886 29.886 29.661 0.225 25810 164 1 . 1 1 32 32 GLU H H 32 9.204 9.204 8.916 0.288 25810 165 1 . 1 1 33 33 ASP N N 33 115.544 115.544 117.434 -1.890 25810 166 1 . 1 1 33 33 ASP HA H 33 4.765 4.765 4.577 0.188 25810 167 1 . 1 1 33 33 ASP CA C 33 53.071 53.071 54.423 -1.352 25810 168 1 . 1 1 33 33 ASP CB C 33 41.383 41.383 40.817 0.566 25810 169 1 . 1 1 33 33 ASP H H 33 8.156 8.156 8.239 -0.083 25810 170 1 . 1 1 34 34 GLY N N 34 105.580 105.580 107.089 -1.509 25810 171 1 . 1 1 34 34 GLY CA C 34 46.739 46.739 45.444 1.295 25810 172 1 . 1 1 34 34 GLY H H 34 7.582 7.582 7.993 -0.411 25810 173 1 . 1 1 35 35 SER N N 35 113.292 113.292 114.212 -0.920 25810 174 1 . 1 1 35 35 SER HA H 35 4.960 4.960 4.758 0.202 25810 175 1 . 1 1 35 35 SER CA C 35 57.390 57.390 56.713 0.677 25810 176 1 . 1 1 35 35 SER CB C 35 66.240 66.240 66.026 0.214 25810 177 1 . 1 1 35 35 SER H H 35 7.584 7.584 7.634 -0.050 25810 178 1 . 1 1 36 36 ILE N N 36 119.513 119.513 122.382 -2.869 25810 179 1 . 1 1 36 36 ILE HA H 36 3.763 3.763 4.188 -0.425 25810 180 1 . 1 1 36 36 ILE CA C 36 63.288 63.288 61.784 1.504 25810 181 1 . 1 1 36 36 ILE CB C 36 39.605 39.605 37.751 1.854 25810 182 1 . 1 1 36 36 ILE H H 36 9.028 9.028 8.438 0.590 25810 183 1 . 1 1 37 37 SER N N 37 126.146 126.146 121.360 4.786 25810 184 1 . 1 1 37 37 SER HA H 37 5.198 5.198 4.882 0.316 25810 185 1 . 1 1 37 37 SER CA C 37 57.010 57.010 56.612 0.398 25810 186 1 . 1 1 37 37 SER CB C 37 67.563 67.563 65.635 1.928 25810 187 1 . 1 1 37 37 SER H H 37 9.571 9.571 8.410 1.161 25810 188 1 . 1 1 38 38 THR N N 38 111.059 111.059 115.393 -4.334 25810 189 1 . 1 1 38 38 THR HA H 38 4.514 4.514 4.074 0.440 25810 190 1 . 1 1 38 38 THR CA C 38 66.653 66.653 66.068 0.585 25810 191 1 . 1 1 38 38 THR CB C 38 68.362 68.362 68.629 -0.267 25810 192 1 . 1 1 38 38 THR H H 38 8.794 8.794 8.708 0.086 25810 193 1 . 1 1 39 39 LYS N N 39 123.369 123.369 121.171 2.198 25810 194 1 . 1 1 39 39 LYS HA H 39 4.056 4.056 4.019 0.037 25810 195 1 . 1 1 39 39 LYS CA C 39 59.766 59.766 59.619 0.147 25810 196 1 . 1 1 39 39 LYS CB C 39 32.203 32.203 32.081 0.122 25810 197 1 . 1 1 39 39 LYS H H 39 8.044 8.044 8.007 0.037 25810 198 1 . 1 1 40 40 GLU N N 40 119.970 119.970 119.542 0.428 25810 199 1 . 1 1 40 40 GLU HA H 40 4.174 4.174 4.051 0.123 25810 200 1 . 1 1 40 40 GLU CA C 40 61.272 61.272 59.171 2.101 25810 201 1 . 1 1 40 40 GLU CB C 40 30.192 30.192 29.225 0.967 25810 202 1 . 1 1 40 40 GLU H H 40 7.714 7.714 7.981 -0.267 25810 203 1 . 1 1 41 41 LEU N N 41 119.088 119.088 120.474 -1.386 25810 204 1 . 1 1 41 41 LEU HA H 41 4.249 4.249 4.135 0.114 25810 205 1 . 1 1 41 41 LEU CA C 41 57.871 57.871 57.612 0.259 25810 206 1 . 1 1 41 41 LEU CB C 41 42.236 42.236 41.787 0.449 25810 207 1 . 1 1 41 41 LEU H H 41 8.375 8.375 8.116 0.259 25810 208 1 . 1 1 42 42 GLY N N 42 106.311 106.311 106.729 -0.418 25810 209 1 . 1 1 42 42 GLY CA C 42 48.231 48.231 47.173 1.058 25810 210 1 . 1 1 42 42 GLY H H 42 8.581 8.581 8.514 0.067 25810 211 1 . 1 1 43 43 LYS N N 43 120.717 120.717 122.333 -1.616 25810 212 1 . 1 1 43 43 LYS HA H 43 3.971 3.971 4.014 -0.043 25810 213 1 . 1 1 43 43 LYS CA C 43 60.040 60.040 59.239 0.801 25810 214 1 . 1 1 43 43 LYS CB C 43 32.393 32.393 32.290 0.103 25810 215 1 . 1 1 43 43 LYS H H 43 7.293 7.293 7.656 -0.363 25810 216 1 . 1 1 44 44 VAL N N 44 119.884 119.884 119.916 -0.032 25810 217 1 . 1 1 44 44 VAL HA H 44 3.641 3.641 3.680 -0.039 25810 218 1 . 1 1 44 44 VAL CA C 44 66.444 66.444 66.302 0.142 25810 219 1 . 1 1 44 44 VAL CB C 44 32.056 32.056 31.684 0.372 25810 220 1 . 1 1 44 44 VAL H H 44 7.560 7.560 7.585 -0.025 25810 221 1 . 1 1 45 45 MET N N 45 117.256 117.256 118.291 -1.035 25810 222 1 . 1 1 45 45 MET HA H 45 4.179 4.179 4.107 0.072 25810 223 1 . 1 1 45 45 MET CA C 45 57.934 57.934 58.191 -0.257 25810 224 1 . 1 1 45 45 MET CB C 45 31.407 31.407 31.602 -0.195 25810 225 1 . 1 1 45 45 MET H H 45 8.575 8.575 7.984 0.590 25810 226 1 . 1 1 46 46 ARG N N 46 118.652 118.652 119.704 -1.052 25810 227 1 . 1 1 46 46 ARG HA H 46 4.594 4.594 4.230 0.364 25810 228 1 . 1 1 46 46 ARG CA C 46 59.423 59.423 59.220 0.202 25810 229 1 . 1 1 46 46 ARG CB C 46 29.860 29.860 30.097 -0.237 25810 230 1 . 1 1 46 46 ARG H H 46 8.080 8.080 8.217 -0.137 25810 231 1 . 1 1 47 47 MET N N 47 122.632 122.632 119.170 3.462 25810 232 1 . 1 1 47 47 MET HA H 47 4.179 4.179 4.180 -0.001 25810 233 1 . 1 1 47 47 MET CA C 47 59.178 59.178 58.501 0.677 25810 234 1 . 1 1 47 47 MET CB C 47 32.669 32.669 32.585 0.084 25810 235 1 . 1 1 47 47 MET H H 47 7.864 7.864 7.748 0.116 25810 236 1 . 1 1 48 48 LEU N N 48 117.884 117.884 117.254 0.630 25810 237 1 . 1 1 48 48 LEU HA H 48 4.362 4.362 4.226 0.136 25810 238 1 . 1 1 48 48 LEU CA C 48 54.538 54.538 55.496 -0.958 25810 239 1 . 1 1 48 48 LEU CB C 48 41.818 41.818 42.110 -0.292 25810 240 1 . 1 1 48 48 LEU H H 48 7.485 7.485 7.706 -0.221 25810 241 1 . 1 1 49 49 GLY N N 49 107.912 107.912 105.659 2.253 25810 242 1 . 1 1 49 49 GLY CA C 49 45.963 45.963 44.774 1.189 25810 243 1 . 1 1 49 49 GLY H H 49 7.884 7.884 7.633 0.251 25810 244 1 . 1 1 50 50 GLN N N 50 117.606 117.606 119.881 -2.275 25810 245 1 . 1 1 50 50 GLN HA H 50 4.501 4.501 4.508 -0.007 25810 246 1 . 1 1 50 50 GLN CA C 50 53.392 53.392 54.429 -1.037 25810 247 1 . 1 1 50 50 GLN CB C 50 30.773 30.773 31.055 -0.282 25810 248 1 . 1 1 50 50 GLN H H 50 8.096 8.096 8.039 0.057 25810 249 1 . 1 1 51 51 ASN N N 51 116.663 116.663 120.733 -4.070 25810 250 1 . 1 1 51 51 ASN HA H 51 5.122 5.122 5.050 0.072 25810 251 1 . 1 1 51 51 ASN CA C 51 51.230 51.230 50.519 0.711 25810 252 1 . 1 1 51 51 ASN CB C 51 39.146 39.146 38.914 0.232 25810 253 1 . 1 1 51 51 ASN H H 51 8.693 8.693 8.618 0.075 25810 254 1 . 1 1 52 52 PRO HA H 52 4.689 4.689 4.589 0.100 25810 255 1 . 1 1 53 53 THR N N 53 113.865 113.865 113.130 0.735 25810 256 1 . 1 1 53 53 THR H H 53 8.985 8.985 8.130 0.855 25810 257 1 . 1 1 54 54 PRO HA H 54 4.186 4.186 4.213 -0.027 25810 258 1 . 1 1 54 54 PRO CA C 54 66.262 66.262 65.571 0.691 25810 259 1 . 1 1 54 54 PRO CB C 54 31.890 31.890 31.826 0.064 25810 260 1 . 1 1 55 55 GLU N N 55 117.475 117.475 117.468 0.007 25810 261 1 . 1 1 55 55 GLU HA H 55 4.044 4.044 4.053 -0.009 25810 262 1 . 1 1 55 55 GLU CA C 55 60.615 60.615 59.840 0.775 25810 263 1 . 1 1 55 55 GLU CB C 55 28.735 28.735 29.005 -0.270 25810 264 1 . 1 1 55 55 GLU H H 55 8.785 8.785 8.917 -0.132 25810 265 1 . 1 1 56 56 GLU N N 56 121.699 121.699 119.832 1.867 25810 266 1 . 1 1 56 56 GLU HA H 56 4.024 4.024 4.135 -0.111 25810 267 1 . 1 1 56 56 GLU CA C 56 59.255 59.255 58.933 0.322 25810 268 1 . 1 1 56 56 GLU CB C 56 30.096 30.096 29.446 0.650 25810 269 1 . 1 1 56 56 GLU H H 56 7.815 7.815 7.740 0.075 25810 270 1 . 1 1 57 57 LEU N N 57 118.421 118.421 120.096 -1.675 25810 271 1 . 1 1 57 57 LEU HA H 57 4.013 4.013 4.013 0.000 25810 272 1 . 1 1 57 57 LEU CA C 57 56.562 56.562 58.049 -1.487 25810 273 1 . 1 1 57 57 LEU CB C 57 42.732 42.732 41.657 1.075 25810 274 1 . 1 1 57 57 LEU H H 57 8.246 8.246 7.927 0.319 25810 275 1 . 1 1 58 58 GLN N N 58 118.349 118.349 119.014 -0.665 25810 276 1 . 1 1 58 58 GLN HA H 58 3.697 3.697 3.930 -0.233 25810 277 1 . 1 1 58 58 GLN CA C 58 58.337 58.337 59.152 -0.815 25810 278 1 . 1 1 58 58 GLN CB C 58 28.568 28.568 28.486 0.082 25810 279 1 . 1 1 58 58 GLN H H 58 8.003 8.003 8.229 -0.226 25810 280 1 . 1 1 59 59 GLU N N 59 119.049 119.049 120.147 -1.098 25810 281 1 . 1 1 59 59 GLU HA H 59 4.097 4.097 4.070 0.027 25810 282 1 . 1 1 59 59 GLU CA C 59 59.641 59.641 59.129 0.512 25810 283 1 . 1 1 59 59 GLU CB C 59 29.621 29.621 29.385 0.236 25810 284 1 . 1 1 59 59 GLU H H 59 7.979 7.979 7.863 0.116 25810 285 1 . 1 1 60 60 MET N N 60 117.492 117.492 119.587 -2.095 25810 286 1 . 1 1 60 60 MET HA H 60 4.083 4.083 4.163 -0.080 25810 287 1 . 1 1 60 60 MET CA C 60 59.764 59.764 58.859 0.905 25810 288 1 . 1 1 60 60 MET CB C 60 34.533 34.533 32.557 1.976 25810 289 1 . 1 1 60 60 MET H H 60 7.776 7.776 8.062 -0.286 25810 290 1 . 1 1 61 61 ILE N N 61 118.035 118.035 120.051 -2.016 25810 291 1 . 1 1 61 61 ILE HA H 61 3.717 3.717 3.635 0.082 25810 292 1 . 1 1 61 61 ILE CA C 61 63.113 63.113 65.164 -2.051 25810 293 1 . 1 1 61 61 ILE CB C 61 36.290 36.290 37.300 -1.010 25810 294 1 . 1 1 61 61 ILE H H 61 7.564 7.564 8.106 -0.542 25810 295 1 . 1 1 62 62 ASP N N 62 119.355 119.355 120.254 -0.899 25810 296 1 . 1 1 62 62 ASP HA H 62 4.347 4.347 4.361 -0.015 25810 297 1 . 1 1 62 62 ASP CA C 62 57.676 57.676 57.296 0.380 25810 298 1 . 1 1 62 62 ASP CB C 62 40.352 40.352 40.468 -0.116 25810 299 1 . 1 1 62 62 ASP H H 62 8.801 8.801 8.041 0.759 25810 300 1 . 1 1 63 63 GLU N N 63 116.439 116.439 119.191 -2.752 25810 301 1 . 1 1 63 63 GLU HA H 63 4.063 4.063 4.101 -0.038 25810 302 1 . 1 1 63 63 GLU CA C 63 58.821 58.821 58.763 0.058 25810 303 1 . 1 1 63 63 GLU CB C 63 30.124 30.124 29.903 0.220 25810 304 1 . 1 1 63 63 GLU H H 63 7.702 7.702 7.855 -0.153 25810 305 1 . 1 1 64 64 VAL N N 64 112.796 112.796 116.786 -3.990 25810 306 1 . 1 1 64 64 VAL HA H 64 4.194 4.194 3.874 0.320 25810 307 1 . 1 1 64 64 VAL CA C 64 61.611 61.611 64.463 -2.852 25810 308 1 . 1 1 64 64 VAL CB C 64 32.664 32.664 32.011 0.653 25810 309 1 . 1 1 64 64 VAL H H 64 7.151 7.151 7.791 -0.640 25810 310 1 . 1 1 65 65 ASP N N 65 121.138 121.138 119.351 1.787 25810 311 1 . 1 1 65 65 ASP HA H 65 4.510 4.510 4.477 0.033 25810 312 1 . 1 1 65 65 ASP CA C 65 53.565 53.565 55.554 -1.989 25810 313 1 . 1 1 65 65 ASP CB C 65 41.017 41.017 41.491 -0.474 25810 314 1 . 1 1 65 65 ASP H H 65 7.866 7.866 7.894 -0.028 25810 315 1 . 1 1 66 66 GLU N N 66 128.324 128.324 124.812 3.512 25810 316 1 . 1 1 66 66 GLU HA H 66 4.194 4.194 4.174 0.020 25810 317 1 . 1 1 66 66 GLU CA C 66 58.452 58.452 58.462 -0.010 25810 318 1 . 1 1 66 66 GLU CB C 66 31.113 31.113 30.348 0.765 25810 319 1 . 1 1 66 66 GLU H H 66 8.187 8.187 8.763 -0.576 25810 320 1 . 1 1 67 67 ASP N N 67 114.662 114.662 115.873 -1.211 25810 321 1 . 1 1 67 67 ASP HA H 67 4.690 4.690 4.690 -0.000 25810 322 1 . 1 1 67 67 ASP CA C 67 52.760 52.760 53.290 -0.530 25810 323 1 . 1 1 67 67 ASP CB C 67 40.354 40.354 40.843 -0.489 25810 324 1 . 1 1 67 67 ASP H H 67 8.111 8.111 8.106 0.005 25810 325 1 . 1 1 68 68 GLY N N 68 109.084 109.084 108.284 0.800 25810 326 1 . 1 1 68 68 GLY CA C 68 47.136 47.136 46.029 1.107 25810 327 1 . 1 1 68 68 GLY H H 68 7.771 7.771 8.033 -0.262 25810 328 1 . 1 1 69 69 SER N N 69 117.283 117.283 116.435 0.848 25810 329 1 . 1 1 69 69 SER HA H 69 4.217 4.217 4.241 -0.024 25810 330 1 . 1 1 69 69 SER CA C 69 60.270 60.270 59.453 0.817 25810 331 1 . 1 1 69 69 SER CB C 69 64.648 64.648 63.928 0.720 25810 332 1 . 1 1 69 69 SER H H 69 8.632 8.632 8.626 0.007 25810 333 1 . 1 1 70 70 GLY N N 70 116.242 116.242 110.469 5.773 25810 334 1 . 1 1 70 70 GLY CA C 70 45.488 45.488 45.397 0.091 25810 335 1 . 1 1 70 70 GLY H H 70 10.710 10.710 9.035 1.675 25810 336 1 . 1 1 71 71 THR N N 71 106.843 106.843 112.464 -5.621 25810 337 1 . 1 1 71 71 THR HA H 71 4.941 4.941 4.718 0.223 25810 338 1 . 1 1 71 71 THR CA C 71 58.422 58.422 60.267 -1.845 25810 339 1 . 1 1 71 71 THR CB C 71 73.822 73.822 72.490 1.332 25810 340 1 . 1 1 71 71 THR H H 71 7.551 7.551 7.495 0.056 25810 341 1 . 1 1 72 72 VAL N N 72 127.231 127.231 122.675 4.556 25810 342 1 . 1 1 72 72 VAL HA H 72 5.074 5.074 4.669 0.405 25810 343 1 . 1 1 72 72 VAL CA C 72 61.797 61.797 61.153 0.644 25810 344 1 . 1 1 72 72 VAL CB C 72 33.925 33.925 32.763 1.162 25810 345 1 . 1 1 72 72 VAL H H 72 9.690 9.690 8.379 1.311 25810 346 1 . 1 1 73 73 ASP N N 73 129.232 129.232 127.345 1.887 25810 347 1 . 1 1 73 73 ASP HA H 73 5.092 5.092 4.856 0.236 25810 348 1 . 1 1 73 73 ASP CA C 73 52.381 52.381 53.465 -1.084 25810 349 1 . 1 1 73 73 ASP CB C 73 42.040 42.040 42.809 -0.769 25810 350 1 . 1 1 73 73 ASP H H 73 8.828 8.828 8.439 0.389 25810 351 1 . 1 1 74 74 PHE N N 74 118.313 118.313 120.476 -2.163 25810 352 1 . 1 1 74 74 PHE HA H 74 3.281 3.281 3.960 -0.679 25810 353 1 . 1 1 74 74 PHE CA C 74 61.369 61.369 62.402 -1.033 25810 354 1 . 1 1 74 74 PHE CB C 74 38.590 38.590 39.046 -0.456 25810 355 1 . 1 1 74 74 PHE H H 74 8.496 8.496 8.744 -0.248 25810 356 1 . 1 1 75 75 ASP N N 75 117.592 117.592 118.495 -0.903 25810 357 1 . 1 1 75 75 ASP HA H 75 3.924 3.924 4.252 -0.328 25810 358 1 . 1 1 75 75 ASP CA C 75 57.857 57.857 57.701 0.156 25810 359 1 . 1 1 75 75 ASP CB C 75 39.984 39.984 39.847 0.137 25810 360 1 . 1 1 75 75 ASP H H 75 7.708 7.708 8.761 -1.053 25810 361 1 . 1 1 76 76 GLU N N 76 120.100 120.100 120.024 0.076 25810 362 1 . 1 1 76 76 GLU HA H 76 3.919 3.919 4.042 -0.123 25810 363 1 . 1 1 76 76 GLU CA C 76 58.410 58.410 59.094 -0.684 25810 364 1 . 1 1 76 76 GLU CB C 76 30.227 30.227 29.482 0.745 25810 365 1 . 1 1 76 76 GLU H H 76 8.267 8.267 8.437 -0.170 25810 366 1 . 1 1 77 77 PHE N N 77 122.101 122.101 121.481 0.620 25810 367 1 . 1 1 77 77 PHE HA H 77 3.691 3.691 4.156 -0.465 25810 368 1 . 1 1 77 77 PHE CA C 77 60.916 60.916 61.244 -0.328 25810 369 1 . 1 1 77 77 PHE CB C 77 40.070 40.070 39.139 0.931 25810 370 1 . 1 1 77 77 PHE H H 77 8.760 8.760 8.651 0.109 25810 371 1 . 1 1 78 78 LEU N N 78 120.110 120.110 119.502 0.608 25810 372 1 . 1 1 78 78 LEU HA H 78 3.227 3.227 3.602 -0.375 25810 373 1 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.145 -0.030 25810 374 1 . 1 1 78 78 LEU CB C 78 41.610 41.610 41.378 0.232 25810 375 1 . 1 1 78 78 LEU H H 78 8.404 8.404 7.853 0.551 25810 376 1 . 1 1 79 79 VAL N N 79 116.259 116.259 118.046 -1.787 25810 377 1 . 1 1 79 79 VAL HA H 79 3.207 3.207 3.456 -0.249 25810 378 1 . 1 1 79 79 VAL CA C 79 66.629 66.629 66.439 0.190 25810 379 1 . 1 1 79 79 VAL CB C 79 31.437 31.437 31.306 0.131 25810 380 1 . 1 1 79 79 VAL H H 79 7.132 7.132 7.563 -0.431 25810 381 1 . 1 1 80 80 MET N N 80 118.429 118.429 118.892 -0.463 25810 382 1 . 1 1 80 80 MET HA H 80 3.810 3.810 3.976 -0.166 25810 383 1 . 1 1 80 80 MET CA C 80 57.828 57.828 58.387 -0.558 25810 384 1 . 1 1 80 80 MET CB C 80 31.114 31.114 32.217 -1.103 25810 385 1 . 1 1 80 80 MET H H 80 7.191 7.191 7.918 -0.727 25810 386 1 . 1 1 81 81 MET H H 81 8.104 8.104 7.564 0.540 25810 387 1 . 1 1 86 86 LYS N N 86 118.058 118.058 122.177 -4.119 25810 388 1 . 1 1 86 86 LYS HA H 86 4.300 4.300 3.974 0.326 25810 389 1 . 1 1 86 86 LYS CA C 86 57.398 57.398 59.389 -1.991 25810 390 1 . 1 1 86 86 LYS CB C 86 32.846 32.846 32.646 0.200 25810 391 1 . 1 1 86 86 LYS H H 86 7.750 7.750 8.268 -0.518 25810 392 1 . 1 1 87 87 ASP N N 87 120.199 120.199 118.723 1.476 25810 393 1 . 1 1 87 87 ASP HA H 87 4.658 4.658 4.373 0.285 25810 394 1 . 1 1 87 87 ASP CA C 87 55.117 55.117 57.410 -2.293 25810 395 1 . 1 1 87 87 ASP CB C 87 41.376 41.376 40.373 1.003 25810 396 1 . 1 1 87 87 ASP H H 87 8.102 8.102 8.091 0.011 25810 397 1 . 1 1 88 88 ASP N N 88 121.497 121.497 118.719 2.778 25810 398 1 . 1 1 88 88 ASP HA H 88 4.690 4.690 4.415 0.275 25810 399 1 . 1 1 88 88 ASP CA C 88 54.666 54.666 56.854 -2.188 25810 400 1 . 1 1 88 88 ASP CB C 88 41.157 41.157 40.515 0.642 25810 401 1 . 1 1 88 88 ASP H H 88 8.363 8.363 8.398 -0.035 25810 402 1 . 1 1 89 89 SER N N 89 115.602 115.602 114.804 0.798 25810 403 1 . 1 1 89 89 SER HA H 89 4.347 4.347 4.221 0.126 25810 404 1 . 1 1 89 89 SER CA C 89 59.571 59.571 61.095 -1.524 25810 405 1 . 1 1 89 89 SER CB C 89 63.999 63.999 63.315 0.684 25810 406 1 . 1 1 89 89 SER H H 89 8.251 8.251 7.897 0.354 25810 407 1 . 1 1 90 90 GLU N N 90 121.265 121.265 120.741 0.524 25810 408 1 . 1 1 90 90 GLU HA H 90 4.230 4.230 4.139 0.091 25810 409 1 . 1 1 90 90 GLU CA C 90 57.052 57.052 57.939 -0.887 25810 410 1 . 1 1 90 90 GLU CB C 90 29.810 29.810 29.994 -0.184 25810 411 1 . 1 1 90 90 GLU H H 90 8.331 8.331 7.900 0.431 25810 412 1 . 1 1 91 91 ASN N N 91 118.544 118.544 116.819 1.725 25810 413 1 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.559 0.096 25810 414 1 . 1 1 91 91 ASN CA C 91 53.461 53.461 53.422 0.039 25810 415 1 . 1 1 91 91 ASN CB C 91 39.208 39.208 38.535 0.673 25810 416 1 . 1 1 91 91 ASN H H 91 8.131 8.131 7.916 0.215 25810 417 1 . 1 1 95 95 GLN HA H 95 3.993 3.993 4.390 -0.397 25810 418 1 . 1 1 95 95 GLN CA C 95 56.411 56.411 55.756 0.655 25810 419 1 . 1 1 95 95 GLN CB C 95 29.282 29.282 29.397 -0.115 25810 420 1 . 1 1 96 96 GLY N N 96 109.372 109.372 109.374 -0.002 25810 421 1 . 1 1 96 96 GLY CA C 96 45.688 45.688 45.101 0.587 25810 422 1 . 1 1 96 96 GLY H H 96 8.110 8.110 8.365 -0.255 25810 423 1 . 1 1 97 97 ARG N N 97 120.154 120.154 120.519 -0.365 25810 424 1 . 1 1 97 97 ARG HA H 97 4.467 4.467 4.264 0.203 25810 425 1 . 1 1 97 97 ARG CA C 97 55.566 55.566 56.309 -0.743 25810 426 1 . 1 1 97 97 ARG CB C 97 31.505 31.505 30.411 1.093 25810 427 1 . 1 1 97 97 ARG H H 97 7.966 7.966 8.216 -0.250 25810 428 1 . 1 1 99 99 VAL HA H 99 4.142 4.142 4.131 0.011 25810 429 1 . 1 1 99 99 VAL CA C 99 62.039 62.039 62.415 -0.376 25810 430 1 . 1 1 99 99 VAL CB C 99 30.875 30.875 32.435 -1.560 25810 431 1 . 1 1 100 100 ARG N N 100 125.661 125.661 122.887 2.774 25810 432 1 . 1 1 100 100 ARG HA H 100 4.501 4.501 4.234 0.267 25810 433 1 . 1 1 100 100 ARG CA C 100 55.557 55.557 57.106 -1.549 25810 434 1 . 1 1 100 100 ARG H H 100 8.379 8.379 8.393 -0.014 25810 435 1 . 1 1 102 102 SER HA H 102 4.356 4.356 4.553 -0.196 25810 436 1 . 1 1 102 102 SER CA C 102 57.361 57.361 57.644 -0.283 25810 437 1 . 1 1 102 102 SER CB C 102 65.237 65.237 64.741 0.496 25810 438 1 . 1 1 103 103 ALA N N 103 125.468 125.468 127.056 -1.588 25810 439 1 . 1 1 103 103 ALA HA H 103 4.011 4.011 4.067 -0.056 25810 440 1 . 1 1 103 103 ALA CA C 103 55.985 55.985 55.024 0.961 25810 441 1 . 1 1 103 103 ALA CB C 103 18.593 18.593 18.427 0.166 25810 442 1 . 1 1 103 103 ALA H H 103 9.148 9.148 8.860 0.288 25810 443 1 . 1 1 104 104 ASP N N 104 115.217 115.217 118.902 -3.684 25810 444 1 . 1 1 104 104 ASP HA H 104 4.308 4.308 4.393 -0.085 25810 445 1 . 1 1 104 104 ASP CA C 104 57.307 57.307 57.126 0.181 25810 446 1 . 1 1 104 104 ASP CB C 104 40.978 40.978 40.208 0.770 25810 447 1 . 1 1 104 104 ASP H H 104 8.517 8.517 8.453 0.064 25810 448 1 . 1 1 105 105 ALA N N 105 122.884 122.884 122.488 0.396 25810 449 1 . 1 1 105 105 ALA HA H 105 4.080 4.080 4.186 -0.106 25810 450 1 . 1 1 105 105 ALA CA C 105 55.104 55.104 54.885 0.219 25810 451 1 . 1 1 105 105 ALA CB C 105 18.337 18.337 18.490 -0.153 25810 452 1 . 1 1 105 105 ALA H H 105 7.953 7.953 7.851 0.102 25810 453 1 . 1 1 106 106 MET N N 106 118.710 118.710 118.829 -0.119 25810 454 1 . 1 1 106 106 MET HA H 106 3.987 3.987 4.098 -0.111 25810 455 1 . 1 1 106 106 MET CA C 106 59.704 59.704 58.780 0.924 25810 456 1 . 1 1 106 106 MET CB C 106 33.450 33.450 32.594 0.856 25810 457 1 . 1 1 106 106 MET H H 106 8.186 8.186 7.874 0.312 25810 458 1 . 1 1 107 107 MET N N 107 116.864 116.864 118.747 -1.883 25810 459 1 . 1 1 107 107 MET HA H 107 4.446 4.446 4.052 0.394 25810 460 1 . 1 1 107 107 MET CA C 107 57.649 57.649 59.132 -1.482 25810 461 1 . 1 1 107 107 MET CB C 107 31.359 31.359 32.119 -0.760 25810 462 1 . 1 1 107 107 MET H H 107 8.483 8.483 8.129 0.354 25810 463 1 . 1 1 108 108 GLN N N 108 117.959 117.959 119.047 -1.088 25810 464 1 . 1 1 108 108 GLN HA H 108 4.009 4.009 3.969 0.039 25810 465 1 . 1 1 108 108 GLN CA C 108 58.986 58.986 58.969 0.017 25810 466 1 . 1 1 108 108 GLN CB C 108 28.520 28.520 28.573 -0.053 25810 467 1 . 1 1 108 108 GLN H H 108 8.359 8.359 8.110 0.249 25810 468 1 . 1 1 109 109 ALA N N 109 121.657 121.657 122.376 -0.719 25810 469 1 . 1 1 109 109 ALA HA H 109 4.139 4.139 4.093 0.046 25810 470 1 . 1 1 109 109 ALA CA C 109 54.765 54.765 54.847 -0.082 25810 471 1 . 1 1 109 109 ALA CB C 109 18.439 18.439 18.436 0.003 25810 472 1 . 1 1 109 109 ALA H H 109 7.855 7.855 8.018 -0.163 25810 473 1 . 1 1 110 110 LEU N N 110 116.183 116.183 118.575 -2.392 25810 474 1 . 1 1 110 110 LEU HA H 110 4.125 4.125 4.046 0.079 25810 475 1 . 1 1 110 110 LEU CA C 110 57.432 57.432 57.474 -0.042 25810 476 1 . 1 1 110 110 LEU CB C 110 42.632 42.632 42.178 0.454 25810 477 1 . 1 1 110 110 LEU H H 110 7.933 7.933 7.847 0.086 25810 478 1 . 1 1 111 111 LEU CA C 111 55.610 55.610 55.801 -0.191 25810 479 1 . 1 1 111 111 LEU CB C 111 42.892 42.892 42.349 0.543 25810 480 1 . 1 1 112 112 GLY N N 112 109.198 109.198 106.405 2.793 25810 481 1 . 1 1 112 112 GLY CA C 112 46.067 46.067 45.549 0.518 25810 482 1 . 1 1 112 112 GLY H H 112 7.928 7.928 7.917 0.011 25810 483 1 . 1 1 113 113 ALA N N 113 124.374 124.374 122.724 1.650 25810 484 1 . 1 1 113 113 ALA HA H 113 4.263 4.263 4.167 0.096 25810 485 1 . 1 1 113 113 ALA CA C 113 53.404 53.404 52.762 0.642 25810 486 1 . 1 1 113 113 ALA CB C 113 18.713 18.713 18.906 -0.193 25810 487 1 . 1 1 113 113 ALA H H 113 8.211 8.211 8.093 0.118 25810 488 1 . 1 1 114 114 ARG N N 114 117.947 117.947 119.628 -1.681 25810 489 1 . 1 1 114 114 ARG HA H 114 4.247 4.247 4.208 0.039 25810 490 1 . 1 1 114 114 ARG CA C 114 56.568 56.568 56.081 0.487 25810 491 1 . 1 1 114 114 ARG CB C 114 30.389 30.389 30.341 0.048 25810 492 1 . 1 1 114 114 ARG H H 114 7.974 7.974 8.336 -0.362 25810 493 1 . 1 1 115 115 ALA N N 115 123.079 123.079 123.746 -0.667 25810 494 1 . 1 1 115 115 ALA HA H 115 4.216 4.216 4.345 -0.129 25810 495 1 . 1 1 115 115 ALA CA C 115 52.783 52.783 52.038 0.745 25810 496 1 . 1 1 115 115 ALA CB C 115 18.915 18.915 19.577 -0.662 25810 497 1 . 1 1 115 115 ALA H H 115 7.969 7.969 8.172 -0.203 25810 498 1 . 1 1 116 116 LYS N N 116 120.562 120.562 121.128 -0.567 25810 499 1 . 1 1 116 116 LYS HA H 116 4.239 4.239 4.252 -0.013 25810 500 1 . 1 1 116 116 LYS CA C 116 57.421 57.421 56.985 0.436 25810 501 1 . 1 1 116 116 LYS CB C 116 33.373 33.373 33.105 0.268 25810 502 1 . 1 1 116 116 LYS H H 116 8.310 8.310 8.340 -0.030 25810 503 1 . 1 1 117 117 GLU N N 117 121.115 121.115 121.090 0.025 25810 504 1 . 1 1 117 117 GLU HA H 117 4.259 4.259 4.258 0.001 25810 505 1 . 1 1 117 117 GLU CA C 117 57.347 57.347 57.417 -0.070 25810 506 1 . 1 1 117 117 GLU CB C 117 30.037 30.037 29.226 0.810 25810 507 1 . 1 1 117 117 GLU H H 117 8.646 8.646 8.755 -0.109 25810 508 1 . 1 1 118 118 SER N N 118 115.616 115.616 115.852 -0.236 25810 509 1 . 1 1 118 118 SER HA H 118 4.322 4.322 4.240 0.082 25810 510 1 . 1 1 118 118 SER CA C 118 59.082 59.082 60.744 -1.662 25810 511 1 . 1 1 118 118 SER CB C 118 63.624 63.624 63.317 0.307 25810 512 1 . 1 1 118 118 SER H H 118 8.346 8.346 8.230 0.116 25810 513 1 . 1 1 119 119 LEU N N 119 122.984 122.984 120.559 2.425 25810 514 1 . 1 1 119 119 LEU HA H 119 4.308 4.308 4.262 0.046 25810 515 1 . 1 1 119 119 LEU CA C 119 55.503 55.503 55.927 -0.424 25810 516 1 . 1 1 119 119 LEU CB C 119 42.261 42.261 42.296 -0.035 25810 517 1 . 1 1 119 119 LEU H H 119 7.970 7.970 7.717 0.253 25810 518 1 . 1 1 120 120 ASP N N 120 120.516 120.516 118.135 2.381 25810 519 1 . 1 1 120 120 ASP HA H 120 4.610 4.610 4.497 0.113 25810 520 1 . 1 1 120 120 ASP CA C 120 54.452 54.452 54.703 -0.251 25810 521 1 . 1 1 120 120 ASP CB C 120 41.020 41.020 40.923 0.097 25810 522 1 . 1 1 120 120 ASP H H 120 8.149 8.149 7.900 0.249 25810 523 1 . 1 1 121 121 LEU N N 121 122.598 122.598 121.170 1.428 25810 524 1 . 1 1 121 121 LEU HA H 121 4.275 4.275 4.279 -0.004 25810 525 1 . 1 1 121 121 LEU CA C 121 56.021 56.021 55.462 0.559 25810 526 1 . 1 1 121 121 LEU CB C 121 42.054 42.054 42.669 -0.615 25810 527 1 . 1 1 121 121 LEU H H 121 8.111 8.111 8.209 -0.098 25810 528 1 . 1 1 122 122 ARG N N 122 119.425 119.425 120.652 -1.227 25810 529 1 . 1 1 122 122 ARG HA H 122 4.247 4.247 4.275 -0.028 25810 530 1 . 1 1 122 122 ARG CA C 122 56.615 56.615 56.256 0.359 25810 531 1 . 1 1 122 122 ARG CB C 122 30.436 30.436 30.156 0.280 25810 532 1 . 1 1 122 122 ARG H H 122 8.131 8.131 8.315 -0.184 25810 533 1 . 1 1 123 123 ALA CA C 123 53.144 53.144 52.274 0.870 25810 534 1 . 1 1 123 123 ALA CB C 123 19.123 19.123 19.374 -0.251 25810 535 1 . 1 1 124 124 HIS N N 124 117.075 117.075 119.054 -1.979 25810 536 1 . 1 1 124 124 HIS CA C 124 56.097 56.097 55.927 0.170 25810 537 1 . 1 1 124 124 HIS CB C 124 30.425 30.425 29.976 0.449 25810 538 1 . 1 1 124 124 HIS H H 124 8.185 8.185 8.254 -0.069 25810 539 1 . 1 1 125 125 LEU HA H 125 4.354 4.354 4.392 -0.038 25810 540 1 . 1 1 125 125 LEU CA C 125 55.257 55.257 54.973 0.284 25810 541 1 . 1 1 125 125 LEU CB C 125 42.301 42.301 42.596 -0.295 25810 stop_ save_