data_18976 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18976 _Entry.PDB_ID 2M3S 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 18976 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.647 -0.226 18976 2 1 1 . 1 1 2 2 LEU C C 2 177.129 177.129 175.779 1.350 18976 3 1 1 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.123 -0.001 18976 4 1 1 . 1 1 2 2 LEU CB C 2 42.453 42.453 42.468 -0.015 18976 5 1 1 . 1 1 2 2 LEU H H 2 8.641 8.641 8.801 -0.160 18976 6 1 1 . 1 1 3 3 MET N N 3 120.143 120.143 119.797 0.346 18976 7 1 1 . 1 1 3 3 MET HA H 3 4.451 4.451 4.458 -0.007 18976 8 1 1 . 1 1 3 3 MET C C 3 176.835 176.835 177.256 -0.421 18976 9 1 1 . 1 1 3 3 MET CA C 3 55.160 55.160 56.390 -1.230 18976 10 1 1 . 1 1 3 3 MET CB C 3 32.584 32.584 33.868 -1.284 18976 11 1 1 . 1 1 3 3 MET H H 3 8.396 8.396 8.210 0.186 18976 12 1 1 . 1 1 4 4 ALA N N 4 123.344 123.344 121.425 1.919 18976 13 1 1 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.885 0.175 18976 14 1 1 . 1 1 4 4 ALA C C 4 177.922 177.922 177.772 0.150 18976 15 1 1 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.229 -0.679 18976 16 1 1 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.015 0.541 18976 17 1 1 . 1 1 4 4 ALA H H 4 8.396 8.396 8.320 0.076 18976 18 1 1 . 1 1 5 5 ASP N N 5 116.052 116.052 115.829 0.223 18976 19 1 1 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.469 0.040 18976 20 1 1 . 1 1 5 5 ASP C C 5 176.366 176.366 177.462 -1.096 18976 21 1 1 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.674 -1.051 18976 22 1 1 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.947 -0.684 18976 23 1 1 . 1 1 5 5 ASP H H 5 8.114 8.114 8.079 0.035 18976 24 1 1 . 1 1 6 6 GLN N N 6 117.717 117.717 117.402 0.315 18976 25 1 1 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.163 0.214 18976 26 1 1 . 1 1 6 6 GLN C C 6 175.842 175.842 176.109 -0.267 18976 27 1 1 . 1 1 6 6 GLN CA C 6 55.311 55.311 56.590 -1.279 18976 28 1 1 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.063 0.527 18976 29 1 1 . 1 1 6 6 GLN H H 6 7.935 7.935 8.321 -0.386 18976 30 1 1 . 1 1 7 7 LEU N N 7 121.086 121.086 118.271 2.815 18976 31 1 1 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.460 0.216 18976 32 1 1 . 1 1 7 7 LEU C C 7 177.496 177.496 175.485 2.011 18976 33 1 1 . 1 1 7 7 LEU CA C 7 54.065 54.065 53.028 1.037 18976 34 1 1 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.774 -0.506 18976 35 1 1 . 1 1 7 7 LEU H H 7 7.713 7.713 7.111 0.602 18976 36 1 1 . 1 1 8 8 THR N N 8 112.688 112.688 108.865 3.823 18976 37 1 1 . 1 1 8 8 THR HA H 8 4.475 4.475 4.481 -0.006 18976 38 1 1 . 1 1 8 8 THR C C 8 175.511 175.511 175.577 -0.066 18976 39 1 1 . 1 1 8 8 THR CA C 8 60.256 60.256 59.944 0.312 18976 40 1 1 . 1 1 8 8 THR CB C 8 71.019 71.019 70.830 0.189 18976 41 1 1 . 1 1 8 8 THR H H 8 8.800 8.800 7.932 0.868 18976 42 1 1 . 1 1 9 9 GLU N N 9 120.380 120.380 121.085 -0.705 18976 43 1 1 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.109 -0.129 18976 44 1 1 . 1 1 9 9 GLU C C 9 179.492 179.492 179.130 0.362 18976 45 1 1 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.908 0.018 18976 46 1 1 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.032 -0.107 18976 47 1 1 . 1 1 9 9 GLU H H 9 9.040 9.040 8.891 0.149 18976 48 1 1 . 1 1 10 10 GLU N N 10 119.361 119.361 118.800 0.561 18976 49 1 1 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.039 0.035 18976 50 1 1 . 1 1 10 10 GLU C C 10 179.185 179.185 179.152 0.033 18976 51 1 1 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.472 0.295 18976 52 1 1 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.085 -0.289 18976 53 1 1 . 1 1 10 10 GLU H H 10 8.729 8.729 8.856 -0.127 18976 54 1 1 . 1 1 11 11 GLN N N 11 120.302 120.302 118.416 1.886 18976 55 1 1 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.535 -0.667 18976 56 1 1 . 1 1 11 11 GLN C C 11 178.318 178.318 178.760 -0.442 18976 57 1 1 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.195 0.189 18976 58 1 1 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.418 -0.533 18976 59 1 1 . 1 1 11 11 GLN H H 11 7.747 7.747 7.381 0.366 18976 60 1 1 . 1 1 12 12 ILE N N 12 119.533 119.533 120.464 -0.931 18976 61 1 1 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.660 0.058 18976 62 1 1 . 1 1 12 12 ILE C C 12 177.731 177.731 177.668 0.063 18976 63 1 1 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.801 1.158 18976 64 1 1 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.687 -0.176 18976 65 1 1 . 1 1 12 12 ILE H H 12 8.456 8.456 8.323 0.133 18976 66 1 1 . 1 1 13 13 ALA N N 13 121.161 121.161 123.079 -1.918 18976 67 1 1 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.001 0.138 18976 68 1 1 . 1 1 13 13 ALA C C 13 181.019 181.019 179.500 1.519 18976 69 1 1 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.600 -0.477 18976 70 1 1 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.107 -0.603 18976 71 1 1 . 1 1 13 13 ALA H H 13 8.018 8.018 8.047 -0.029 18976 72 1 1 . 1 1 14 14 GLU N N 14 119.619 119.619 119.104 0.515 18976 73 1 1 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.126 0.038 18976 74 1 1 . 1 1 14 14 GLU C C 14 180.534 180.534 179.609 0.925 18976 75 1 1 . 1 1 14 14 GLU CA C 14 59.124 59.124 59.129 -0.005 18976 76 1 1 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.591 -0.738 18976 77 1 1 . 1 1 14 14 GLU H H 14 7.792 7.792 7.831 -0.039 18976 78 1 1 . 1 1 15 15 PHE N N 15 120.089 120.089 119.005 1.084 18976 79 1 1 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.590 0.474 18976 80 1 1 . 1 1 15 15 PHE C C 15 178.700 178.700 177.787 0.913 18976 81 1 1 . 1 1 15 15 PHE CA C 15 58.857 58.857 60.506 -1.649 18976 82 1 1 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.018 -1.542 18976 83 1 1 . 1 1 15 15 PHE H H 15 8.587 8.587 8.624 -0.037 18976 84 1 1 . 1 1 16 16 LYS N N 16 123.715 123.715 120.104 3.611 18976 85 1 1 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.274 -0.229 18976 86 1 1 . 1 1 16 16 LYS C C 16 179.327 179.327 179.075 0.252 18976 87 1 1 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.586 0.284 18976 88 1 1 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.959 -0.386 18976 89 1 1 . 1 1 16 16 LYS H H 16 9.256 9.256 8.412 0.844 18976 90 1 1 . 1 1 17 17 GLU N N 17 120.262 120.262 121.071 -0.809 18976 91 1 1 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.186 -0.030 18976 92 1 1 . 1 1 17 17 GLU C C 17 179.456 179.456 178.879 0.577 18976 93 1 1 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.947 0.060 18976 94 1 1 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.326 -0.517 18976 95 1 1 . 1 1 17 17 GLU H H 17 7.774 7.774 8.055 -0.281 18976 96 1 1 . 1 1 18 18 ALA N N 18 122.590 122.590 121.098 1.492 18976 97 1 1 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.274 0.041 18976 98 1 1 . 1 1 18 18 ALA C C 18 179.060 179.060 179.113 -0.053 18976 99 1 1 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.606 0.223 18976 100 1 1 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.573 -0.775 18976 101 1 1 . 1 1 18 18 ALA H H 18 8.001 8.001 8.035 -0.034 18976 102 1 1 . 1 1 19 19 PHE N N 19 119.363 119.363 118.287 1.076 18976 103 1 1 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.858 -0.624 18976 104 1 1 . 1 1 19 19 PHE C C 19 177.290 177.290 176.762 0.528 18976 105 1 1 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.003 1.754 18976 106 1 1 . 1 1 19 19 PHE CB C 19 39.138 39.138 40.177 -1.039 18976 107 1 1 . 1 1 19 19 PHE H H 19 8.859 8.859 7.833 1.026 18976 108 1 1 . 1 1 20 20 SER N N 20 112.556 112.556 116.503 -3.947 18976 109 1 1 . 1 1 20 20 SER HA H 20 4.142 4.142 4.283 -0.141 18976 110 1 1 . 1 1 20 20 SER C C 20 174.955 174.955 176.296 -1.341 18976 111 1 1 . 1 1 20 20 SER CA C 20 61.007 61.007 61.844 -0.838 18976 112 1 1 . 1 1 20 20 SER CB C 20 62.960 62.960 63.516 -0.556 18976 113 1 1 . 1 1 20 20 SER H H 20 7.934 7.934 7.961 -0.027 18976 114 1 1 . 1 1 21 21 LEU N N 21 120.816 120.816 117.404 3.412 18976 115 1 1 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.330 -0.314 18976 116 1 1 . 1 1 21 21 LEU C C 21 178.010 178.010 177.736 0.274 18976 117 1 1 . 1 1 21 21 LEU CA C 21 56.795 56.795 56.663 0.132 18976 118 1 1 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.234 -1.102 18976 119 1 1 . 1 1 21 21 LEU H H 21 7.434 7.434 7.474 -0.040 18976 120 1 1 . 1 1 22 22 PHE N N 22 115.049 115.049 118.736 -3.687 18976 121 1 1 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.249 -0.005 18976 122 1 1 . 1 1 22 22 PHE C C 22 176.762 176.762 175.889 0.873 18976 123 1 1 . 1 1 22 22 PHE CA C 22 59.020 59.020 59.518 -0.498 18976 124 1 1 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.637 1.093 18976 125 1 1 . 1 1 22 22 PHE H H 22 7.326 7.326 7.452 -0.126 18976 126 1 1 . 1 1 23 23 ASP N N 23 117.496 117.496 118.319 -0.823 18976 127 1 1 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.728 -0.177 18976 128 1 1 . 1 1 23 23 ASP C C 23 177.167 177.167 176.433 0.734 18976 129 1 1 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.726 -1.685 18976 130 1 1 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.409 -1.811 18976 131 1 1 . 1 1 23 23 ASP H H 23 7.851 7.851 7.738 0.113 18976 132 1 1 . 1 1 24 24 LYS N N 24 124.470 124.470 125.733 -1.263 18976 133 1 1 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.008 -0.024 18976 134 1 1 . 1 1 24 24 LYS C C 24 178.127 178.127 177.769 0.358 18976 135 1 1 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.420 -0.262 18976 136 1 1 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.390 -0.007 18976 137 1 1 . 1 1 24 24 LYS H H 24 7.687 7.687 7.968 -0.281 18976 138 1 1 . 1 1 25 25 ASP N N 25 113.822 113.822 117.842 -4.020 18976 139 1 1 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.487 0.119 18976 140 1 1 . 1 1 25 25 ASP C C 25 177.687 177.687 177.542 0.145 18976 141 1 1 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.311 -1.852 18976 142 1 1 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.037 -0.846 18976 143 1 1 . 1 1 25 25 ASP H H 25 8.067 8.067 7.922 0.145 18976 144 1 1 . 1 1 26 26 GLY N N 26 109.208 109.208 108.774 0.434 18976 145 1 1 . 1 1 26 26 GLY C C 26 175.132 175.132 175.038 0.094 18976 146 1 1 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.057 0.817 18976 147 1 1 . 1 1 26 26 GLY H H 26 7.698 7.698 8.222 -0.524 18976 148 1 1 . 1 1 27 27 ASP N N 27 120.603 120.603 119.874 0.729 18976 149 1 1 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.667 -0.144 18976 150 1 1 . 1 1 27 27 ASP C C 27 177.452 177.452 177.777 -0.325 18976 151 1 1 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.338 0.155 18976 152 1 1 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.260 -1.012 18976 153 1 1 . 1 1 27 27 ASP H H 27 8.397 8.397 8.529 -0.132 18976 154 1 1 . 1 1 28 28 GLY N N 28 113.187 113.187 109.251 3.936 18976 155 1 1 . 1 1 28 28 GLY C C 28 173.679 173.679 173.738 -0.059 18976 156 1 1 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.462 -0.281 18976 157 1 1 . 1 1 28 28 GLY H H 28 10.648 10.648 8.259 2.389 18976 158 1 1 . 1 1 29 29 THR N N 29 112.865 112.865 110.845 2.020 18976 159 1 1 . 1 1 29 29 THR HA H 29 5.310 5.310 5.303 0.007 18976 160 1 1 . 1 1 29 29 THR C C 29 172.872 172.872 173.588 -0.716 18976 161 1 1 . 1 1 29 29 THR CA C 29 59.764 59.764 61.082 -1.318 18976 162 1 1 . 1 1 29 29 THR CB C 29 72.319 72.319 71.885 0.434 18976 163 1 1 . 1 1 29 29 THR H H 29 8.144 8.144 8.426 -0.282 18976 164 1 1 . 1 1 30 30 ILE N N 30 127.035 127.035 127.523 -0.488 18976 165 1 1 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.653 0.327 18976 166 1 1 . 1 1 30 30 ILE C C 30 176.072 176.072 176.802 -0.730 18976 167 1 1 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.359 -0.215 18976 168 1 1 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.860 1.442 18976 169 1 1 . 1 1 30 30 ILE H H 30 9.821 9.821 8.868 0.953 18976 170 1 1 . 1 1 31 31 THR N N 31 116.509 116.509 119.465 -2.956 18976 171 1 1 . 1 1 31 31 THR HA H 31 4.800 4.800 4.638 0.162 18976 172 1 1 . 1 1 31 31 THR C C 31 176.542 176.542 176.218 0.324 18976 173 1 1 . 1 1 31 31 THR CA C 31 59.396 59.396 61.565 -2.169 18976 174 1 1 . 1 1 31 31 THR CB C 31 72.162 72.162 70.185 1.977 18976 175 1 1 . 1 1 31 31 THR H H 31 8.469 8.469 8.603 -0.134 18976 176 1 1 . 1 1 32 32 THR N N 32 112.790 112.790 112.960 -0.170 18976 177 1 1 . 1 1 32 32 THR HA H 32 3.803 3.803 4.009 -0.206 18976 178 1 1 . 1 1 32 32 THR C C 32 177.188 177.188 176.678 0.510 18976 179 1 1 . 1 1 32 32 THR CA C 32 66.253 66.253 67.014 -0.761 18976 180 1 1 . 1 1 32 32 THR CB C 32 67.459 67.459 68.335 -0.876 18976 181 1 1 . 1 1 32 32 THR H H 32 9.128 9.128 8.952 0.176 18976 182 1 1 . 1 1 33 33 LYS N N 33 120.844 120.844 121.306 -0.462 18976 183 1 1 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.124 0.024 18976 184 1 1 . 1 1 33 33 LYS C C 33 179.880 179.880 178.510 1.370 18976 185 1 1 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.223 -0.284 18976 186 1 1 . 1 1 33 33 LYS CB C 33 32.235 32.235 31.951 0.284 18976 187 1 1 . 1 1 33 33 LYS H H 33 7.695 7.695 8.432 -0.737 18976 188 1 1 . 1 1 34 34 GLU N N 34 121.463 121.463 120.985 0.478 18976 189 1 1 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.142 -0.074 18976 190 1 1 . 1 1 34 34 GLU C C 34 179.140 179.140 178.848 0.292 18976 191 1 1 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.100 0.039 18976 192 1 1 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.631 -0.087 18976 193 1 1 . 1 1 34 34 GLU H H 34 7.687 7.687 7.569 0.118 18976 194 1 1 . 1 1 35 35 LEU N N 35 120.583 120.583 120.566 0.017 18976 195 1 1 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.215 -0.092 18976 196 1 1 . 1 1 35 35 LEU C C 35 178.934 178.934 178.967 -0.033 18976 197 1 1 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.035 -0.208 18976 198 1 1 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.922 0.458 18976 199 1 1 . 1 1 35 35 LEU H H 35 8.745 8.745 8.520 0.225 18976 200 1 1 . 1 1 36 36 GLY N N 36 128.127 128.127 104.686 23.441 18976 201 1 1 . 1 1 36 36 GLY C C 36 175.177 175.177 176.081 -0.904 18976 202 1 1 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.229 0.774 18976 203 1 1 . 1 1 36 36 GLY H H 36 8.670 8.670 8.198 0.472 18976 204 1 1 . 1 1 37 37 THR N N 37 117.925 117.925 118.985 -1.060 18976 205 1 1 . 1 1 37 37 THR HA H 37 3.938 3.938 3.927 0.011 18976 206 1 1 . 1 1 37 37 THR C C 37 177.137 177.137 176.520 0.617 18976 207 1 1 . 1 1 37 37 THR CA C 37 66.648 66.648 66.405 0.243 18976 208 1 1 . 1 1 37 37 THR CB C 37 68.383 68.383 68.837 -0.454 18976 209 1 1 . 1 1 37 37 THR H H 37 7.930 7.930 7.634 0.296 18976 210 1 1 . 1 1 38 38 VAL N N 38 122.046 122.046 121.221 0.825 18976 211 1 1 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.478 0.045 18976 212 1 1 . 1 1 38 38 VAL C C 38 179.243 179.243 177.744 1.499 18976 213 1 1 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.724 0.238 18976 214 1 1 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.114 -0.044 18976 215 1 1 . 1 1 38 38 VAL H H 38 7.643 7.643 7.301 0.342 18976 216 1 1 . 1 1 39 39 MET N N 39 118.442 118.442 116.959 1.483 18976 217 1 1 . 1 1 39 39 MET HA H 39 4.133 4.133 4.114 0.019 18976 218 1 1 . 1 1 39 39 MET C C 39 179.125 179.125 178.039 1.086 18976 219 1 1 . 1 1 39 39 MET CA C 39 58.886 58.886 58.795 0.091 18976 220 1 1 . 1 1 39 39 MET CB C 39 31.211 31.211 32.338 -1.127 18976 221 1 1 . 1 1 39 39 MET H H 39 8.497 8.497 8.031 0.466 18976 222 1 1 . 1 1 40 40 ARG N N 40 118.929 118.929 119.150 -0.221 18976 223 1 1 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.314 0.519 18976 224 1 1 . 1 1 40 40 ARG C C 40 181.224 181.224 178.841 2.383 18976 225 1 1 . 1 1 40 40 ARG CA C 40 58.886 58.886 58.919 -0.033 18976 226 1 1 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.951 -1.116 18976 227 1 1 . 1 1 40 40 ARG H H 40 8.536 8.536 7.766 0.770 18976 228 1 1 . 1 1 41 41 SER N N 41 118.832 118.832 114.915 3.917 18976 229 1 1 . 1 1 41 41 SER HA H 41 4.425 4.425 4.287 0.138 18976 230 1 1 . 1 1 41 41 SER C C 41 174.839 174.839 175.316 -0.477 18976 231 1 1 . 1 1 41 41 SER CA C 41 61.249 61.249 60.359 0.890 18976 232 1 1 . 1 1 41 41 SER CB C 41 62.464 62.464 62.865 -0.401 18976 233 1 1 . 1 1 41 41 SER H H 41 7.925 7.925 7.492 0.433 18976 234 1 1 . 1 1 42 42 LEU N N 42 120.676 120.676 121.233 -0.557 18976 235 1 1 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.438 0.079 18976 236 1 1 . 1 1 42 42 LEU C C 42 177.540 177.540 177.024 0.516 18976 237 1 1 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.550 -0.318 18976 238 1 1 . 1 1 42 42 LEU CB C 42 41.670 41.670 42.157 -0.487 18976 239 1 1 . 1 1 42 42 LEU H H 42 7.395 7.395 7.366 0.029 18976 240 1 1 . 1 1 43 43 GLY N N 43 106.840 106.840 106.944 -0.104 18976 241 1 1 . 1 1 43 43 GLY C C 43 174.384 174.384 174.475 -0.091 18976 242 1 1 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.670 0.637 18976 243 1 1 . 1 1 43 43 GLY H H 43 7.885 7.885 7.657 0.228 18976 244 1 1 . 1 1 44 44 GLN N N 44 118.414 118.414 120.068 -1.654 18976 245 1 1 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.560 -0.058 18976 246 1 1 . 1 1 44 44 GLN C C 44 174.134 174.134 174.940 -0.806 18976 247 1 1 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.139 0.045 18976 248 1 1 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.714 -0.440 18976 249 1 1 . 1 1 44 44 GLN H H 44 7.805 7.805 7.696 0.109 18976 250 1 1 . 1 1 45 45 ASN N N 45 116.265 116.265 119.630 -3.365 18976 251 1 1 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.038 0.163 18976 252 1 1 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.915 0.042 18976 253 1 1 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.953 -0.044 18976 254 1 1 . 1 1 45 45 ASN H H 45 8.733 8.733 8.567 0.166 18976 255 1 1 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.850 -0.063 18976 256 1 1 . 1 1 46 46 PRO C C 46 177.745 177.745 176.462 1.283 18976 257 1 1 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.239 -0.134 18976 258 1 1 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.996 -1.293 18976 259 1 1 . 1 1 47 47 THR N N 47 112.958 112.958 115.719 -2.761 18976 260 1 1 . 1 1 47 47 THR HA H 47 4.451 4.451 4.410 0.041 18976 261 1 1 . 1 1 47 47 THR C C 47 175.159 175.159 176.309 -1.150 18976 262 1 1 . 1 1 47 47 THR CA C 47 60.078 60.078 59.732 0.346 18976 263 1 1 . 1 1 47 47 THR CB C 47 71.001 71.001 71.631 -0.630 18976 264 1 1 . 1 1 47 47 THR H H 47 8.767 8.767 8.529 0.238 18976 265 1 1 . 1 1 48 48 GLU N N 48 120.607 120.607 124.945 -4.338 18976 266 1 1 . 1 1 48 48 GLU HA H 48 4.006 4.006 4.008 -0.002 18976 267 1 1 . 1 1 48 48 GLU C C 48 178.949 178.949 178.211 0.738 18976 268 1 1 . 1 1 48 48 GLU CA C 48 59.741 59.741 60.181 -0.440 18976 269 1 1 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.482 -0.790 18976 270 1 1 . 1 1 48 48 GLU H H 48 8.824 8.824 9.050 -0.226 18976 271 1 1 . 1 1 49 49 ALA N N 49 120.678 120.678 121.466 -0.788 18976 272 1 1 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.071 0.048 18976 273 1 1 . 1 1 49 49 ALA C C 49 180.226 180.226 179.812 0.414 18976 274 1 1 . 1 1 49 49 ALA CA C 49 54.716 54.716 55.008 -0.292 18976 275 1 1 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.284 -0.411 18976 276 1 1 . 1 1 49 49 ALA H H 49 8.279 8.279 7.696 0.583 18976 277 1 1 . 1 1 50 50 GLU N N 50 118.703 118.703 119.480 -0.777 18976 278 1 1 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.034 0.018 18976 279 1 1 . 1 1 50 50 GLU C C 50 180.182 180.182 179.187 0.995 18976 280 1 1 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.158 -0.301 18976 281 1 1 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.532 -0.164 18976 282 1 1 . 1 1 50 50 GLU H H 50 7.712 7.712 7.654 0.058 18976 283 1 1 . 1 1 51 51 LEU N N 51 120.420 120.420 118.517 1.903 18976 284 1 1 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.066 0.028 18976 285 1 1 . 1 1 51 51 LEU C C 51 178.494 178.494 179.281 -0.787 18976 286 1 1 . 1 1 51 51 LEU CA C 51 57.679 57.679 57.281 0.398 18976 287 1 1 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.287 1.769 18976 288 1 1 . 1 1 51 51 LEU H H 51 8.192 8.192 7.797 0.395 18976 289 1 1 . 1 1 52 52 GLN N N 52 118.200 118.200 117.993 0.207 18976 290 1 1 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.969 -0.131 18976 291 1 1 . 1 1 52 52 GLN C C 52 178.518 178.518 178.409 0.109 18976 292 1 1 . 1 1 52 52 GLN CA C 52 58.197 58.197 59.391 -1.194 18976 293 1 1 . 1 1 52 52 GLN CB C 52 27.904 27.904 27.998 -0.094 18976 294 1 1 . 1 1 52 52 GLN H H 52 8.212 8.212 8.101 0.111 18976 295 1 1 . 1 1 53 53 ASP N N 53 119.922 119.922 120.772 -0.850 18976 296 1 1 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.502 -0.072 18976 297 1 1 . 1 1 53 53 ASP C C 53 178.635 178.635 178.592 0.043 18976 298 1 1 . 1 1 53 53 ASP CA C 53 57.262 57.262 56.910 0.352 18976 299 1 1 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.553 -0.591 18976 300 1 1 . 1 1 53 53 ASP H H 53 8.108 8.108 7.770 0.338 18976 301 1 1 . 1 1 54 54 MET N N 54 119.290 119.290 118.635 0.655 18976 302 1 1 . 1 1 54 54 MET HA H 54 4.044 4.044 4.375 -0.331 18976 303 1 1 . 1 1 54 54 MET C C 54 178.876 178.876 179.051 -0.175 18976 304 1 1 . 1 1 54 54 MET CA C 54 59.108 59.108 59.106 0.002 18976 305 1 1 . 1 1 54 54 MET CB C 54 32.930 32.930 32.687 0.243 18976 306 1 1 . 1 1 54 54 MET H H 54 7.865 7.865 7.989 -0.124 18976 307 1 1 . 1 1 55 55 ILE N N 55 118.056 118.056 120.389 -2.333 18976 308 1 1 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.639 -0.124 18976 309 1 1 . 1 1 55 55 ILE C C 55 177.760 177.760 177.707 0.053 18976 310 1 1 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.828 -0.348 18976 311 1 1 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.136 -1.155 18976 312 1 1 . 1 1 55 55 ILE H H 55 7.710 7.710 7.653 0.057 18976 313 1 1 . 1 1 56 56 ASN N N 56 117.688 117.688 116.953 0.735 18976 314 1 1 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.364 0.028 18976 315 1 1 . 1 1 56 56 ASN C C 56 177.393 177.393 176.930 0.463 18976 316 1 1 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.277 -0.691 18976 317 1 1 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.417 -0.762 18976 318 1 1 . 1 1 56 56 ASN H H 56 8.606 8.606 8.363 0.243 18976 319 1 1 . 1 1 57 57 GLU N N 57 116.316 116.316 117.120 -0.804 18976 320 1 1 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.199 -0.156 18976 321 1 1 . 1 1 57 57 GLU C C 57 177.569 177.569 177.945 -0.376 18976 322 1 1 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.200 0.432 18976 323 1 1 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.281 -0.182 18976 324 1 1 . 1 1 57 57 GLU H H 57 7.580 7.580 7.933 -0.353 18976 325 1 1 . 1 1 58 58 VAL N N 58 108.390 108.390 112.372 -3.982 18976 326 1 1 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.244 0.238 18976 327 1 1 . 1 1 58 58 VAL C C 58 175.749 175.749 175.929 -0.180 18976 328 1 1 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.310 -1.893 18976 329 1 1 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.206 0.160 18976 330 1 1 . 1 1 58 58 VAL H H 58 7.219 7.219 7.566 -0.347 18976 331 1 1 . 1 1 59 59 ASP N N 59 121.728 121.728 122.912 -1.184 18976 332 1 1 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.865 -0.223 18976 333 1 1 . 1 1 59 59 ASP C C 59 176.219 176.219 175.891 0.328 18976 334 1 1 . 1 1 59 59 ASP CA C 59 53.468 53.468 53.282 0.186 18976 335 1 1 . 1 1 59 59 ASP CB C 59 39.865 39.865 39.822 0.043 18976 336 1 1 . 1 1 59 59 ASP H H 59 7.674 7.674 7.983 -0.309 18976 337 1 1 . 1 1 60 60 ALA N N 60 109.214 109.214 126.605 -17.391 18976 338 1 1 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.109 0.107 18976 339 1 1 . 1 1 60 60 ALA C C 60 178.626 178.626 178.363 0.263 18976 340 1 1 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.090 -0.105 18976 341 1 1 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.179 -0.033 18976 342 1 1 . 1 1 60 60 ALA H H 60 8.481 8.481 7.915 0.566 18976 343 1 1 . 1 1 61 61 ASP N N 61 113.667 113.667 115.494 -1.827 18976 344 1 1 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.582 0.041 18976 345 1 1 . 1 1 61 61 ASP C C 61 177.848 177.848 177.493 0.355 18976 346 1 1 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.750 -1.339 18976 347 1 1 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.976 -1.425 18976 348 1 1 . 1 1 61 61 ASP H H 61 8.158 8.158 8.053 0.105 18976 349 1 1 . 1 1 62 62 GLY N N 62 108.314 108.314 110.220 -1.906 18976 350 1 1 . 1 1 62 62 GLY C C 62 174.933 174.933 175.050 -0.117 18976 351 1 1 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.825 1.117 18976 352 1 1 . 1 1 62 62 GLY H H 62 7.585 7.585 8.086 -0.501 18976 353 1 1 . 1 1 63 63 ASN N N 63 118.384 118.384 118.979 -0.595 18976 354 1 1 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.756 -0.099 18976 355 1 1 . 1 1 63 63 ASN C C 63 176.835 176.835 176.577 0.258 18976 356 1 1 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.645 -0.422 18976 357 1 1 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.479 -2.113 18976 358 1 1 . 1 1 63 63 ASN H H 63 8.086 8.086 8.421 -0.335 18976 359 1 1 . 1 1 64 64 GLY N N 64 113.412 113.412 109.784 3.628 18976 360 1 1 . 1 1 64 64 GLY C C 64 173.254 173.254 173.263 -0.009 18976 361 1 1 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.261 0.136 18976 362 1 1 . 1 1 64 64 GLY H H 64 10.618 10.618 8.227 2.391 18976 363 1 1 . 1 1 65 65 THR N N 65 108.877 108.877 113.357 -4.480 18976 364 1 1 . 1 1 65 65 THR HA H 65 4.766 4.766 4.674 0.092 18976 365 1 1 . 1 1 65 65 THR C C 65 173.195 173.195 173.208 -0.013 18976 366 1 1 . 1 1 65 65 THR CA C 65 59.301 59.301 61.279 -1.978 18976 367 1 1 . 1 1 65 65 THR CB C 65 71.695 71.695 72.375 -0.680 18976 368 1 1 . 1 1 65 65 THR H H 65 7.684 7.684 8.114 -0.430 18976 369 1 1 . 1 1 66 66 ILE N N 66 123.673 123.673 123.426 0.247 18976 370 1 1 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.416 0.774 18976 371 1 1 . 1 1 66 66 ILE C C 66 175.529 175.529 175.113 0.416 18976 372 1 1 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.134 -1.450 18976 373 1 1 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.395 0.021 18976 374 1 1 . 1 1 66 66 ILE H H 66 8.912 8.912 8.389 0.523 18976 375 1 1 . 1 1 67 67 ASP N N 67 128.135 128.135 125.871 2.264 18976 376 1 1 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.052 0.332 18976 377 1 1 . 1 1 67 67 ASP C C 67 176.322 176.322 176.725 -0.403 18976 378 1 1 . 1 1 67 67 ASP CA C 67 51.843 51.843 52.015 -0.172 18976 379 1 1 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.739 -1.952 18976 380 1 1 . 1 1 67 67 ASP H H 67 8.824 8.824 8.532 0.292 18976 381 1 1 . 1 1 68 68 PHE N N 68 118.627 118.627 122.126 -3.499 18976 382 1 1 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.910 0.114 18976 383 1 1 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.778 0.392 18976 384 1 1 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.937 -1.336 18976 385 1 1 . 1 1 68 68 PHE H H 68 8.943 8.943 8.933 0.010 18976 386 1 1 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.993 -0.117 18976 387 1 1 . 1 1 69 69 PRO C C 69 180.037 180.037 178.789 1.248 18976 388 1 1 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.777 0.615 18976 389 1 1 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.901 -0.527 18976 390 1 1 . 1 1 70 70 GLU N N 70 117.615 117.615 118.548 -0.933 18976 391 1 1 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.101 0.007 18976 392 1 1 . 1 1 70 70 GLU C C 70 178.773 178.773 179.034 -0.261 18976 393 1 1 . 1 1 70 70 GLU CA C 70 58.566 58.566 59.193 -0.627 18976 394 1 1 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.110 -0.084 18976 395 1 1 . 1 1 70 70 GLU H H 70 7.969 7.969 7.761 0.208 18976 396 1 1 . 1 1 71 71 PHE N N 71 123.460 123.460 121.693 1.767 18976 397 1 1 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.222 -0.248 18976 398 1 1 . 1 1 71 71 PHE C C 71 177.041 177.041 176.819 0.222 18976 399 1 1 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.370 -0.343 18976 400 1 1 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.434 0.273 18976 401 1 1 . 1 1 71 71 PHE H H 71 8.861 8.861 8.124 0.737 18976 402 1 1 . 1 1 72 72 LEU N N 72 118.749 118.749 118.076 0.673 18976 403 1 1 . 1 1 72 72 LEU HA H 72 3.368 3.368 4.092 -0.724 18976 404 1 1 . 1 1 72 72 LEU C C 72 178.949 178.949 178.291 0.658 18976 405 1 1 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.558 0.038 18976 406 1 1 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.922 -0.180 18976 407 1 1 . 1 1 72 72 LEU H H 72 8.411 8.411 7.988 0.423 18976 408 1 1 . 1 1 73 73 THR N N 73 115.213 115.213 112.872 2.341 18976 409 1 1 . 1 1 73 73 THR HA H 73 3.753 3.753 4.185 -0.432 18976 410 1 1 . 1 1 73 73 THR C C 73 175.955 175.955 175.575 0.380 18976 411 1 1 . 1 1 73 73 THR CA C 73 66.313 66.313 64.924 1.389 18976 412 1 1 . 1 1 73 73 THR CB C 73 68.075 68.075 69.391 -1.316 18976 413 1 1 . 1 1 73 73 THR H H 73 7.522 7.522 7.305 0.217 18976 414 1 1 . 1 1 74 74 MET N N 74 121.455 121.455 122.197 -0.742 18976 415 1 1 . 1 1 74 74 MET HA H 74 3.773 3.773 4.219 -0.446 18976 416 1 1 . 1 1 74 74 MET C C 74 178.098 178.098 177.569 0.529 18976 417 1 1 . 1 1 74 74 MET CA C 74 58.603 58.603 57.809 0.794 18976 418 1 1 . 1 1 74 74 MET CB C 74 32.905 32.905 32.407 0.498 18976 419 1 1 . 1 1 74 74 MET H H 74 7.783 7.783 7.850 -0.067 18976 420 1 1 . 1 1 75 75 MET N N 75 116.557 116.557 116.003 0.554 18976 421 1 1 . 1 1 75 75 MET HA H 75 3.998 3.998 4.157 -0.159 18976 422 1 1 . 1 1 75 75 MET C C 75 178.700 178.700 177.772 0.928 18976 423 1 1 . 1 1 75 75 MET CA C 75 55.472 55.472 57.360 -1.888 18976 424 1 1 . 1 1 75 75 MET CB C 75 30.693 30.693 30.745 -0.052 18976 425 1 1 . 1 1 75 75 MET H H 75 8.077 8.077 8.012 0.065 18976 426 1 1 . 1 1 76 76 ALA N N 76 122.410 122.410 122.510 -0.100 18976 427 1 1 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.049 0.040 18976 428 1 1 . 1 1 76 76 ALA C C 76 179.683 179.683 179.234 0.449 18976 429 1 1 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.903 -0.527 18976 430 1 1 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.220 -0.441 18976 431 1 1 . 1 1 76 76 ALA H H 76 8.303 8.303 8.138 0.165 18976 432 1 1 . 1 1 77 77 ARG N N 77 116.451 116.451 116.067 0.384 18976 433 1 1 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.192 -0.090 18976 434 1 1 . 1 1 77 77 ARG C C 77 177.701 177.701 176.596 1.105 18976 435 1 1 . 1 1 77 77 ARG CA C 77 58.042 58.042 57.957 0.085 18976 436 1 1 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.263 -0.255 18976 437 1 1 . 1 1 77 77 ARG H H 77 7.622 7.622 7.491 0.131 18976 438 1 1 . 1 1 78 78 LYS N N 78 118.021 118.021 116.766 1.255 18976 439 1 1 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.335 -0.096 18976 440 1 1 . 1 1 78 78 LYS C C 78 177.525 177.525 177.294 0.231 18976 441 1 1 . 1 1 78 78 LYS CA C 78 56.721 56.721 55.858 0.863 18976 442 1 1 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.601 -0.388 18976 443 1 1 . 1 1 78 78 LYS H H 78 7.577 7.577 7.113 0.464 18976 444 1 1 . 1 1 79 79 MET N N 79 118.929 118.929 119.218 -0.289 18976 445 1 1 . 1 1 79 79 MET HA H 79 4.351 4.351 4.196 0.155 18976 446 1 1 . 1 1 79 79 MET C C 79 176.322 176.322 176.652 -0.330 18976 447 1 1 . 1 1 79 79 MET CA C 79 56.345 56.345 58.287 -1.942 18976 448 1 1 . 1 1 79 79 MET CB C 79 32.946 32.946 32.999 -0.053 18976 449 1 1 . 1 1 79 79 MET H H 79 7.772 7.772 7.824 -0.052 18976 450 1 1 . 1 1 80 80 LYS N N 80 120.686 120.686 120.864 -0.178 18976 451 1 1 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.340 -0.013 18976 452 1 1 . 1 1 80 80 LYS C C 80 176.395 176.395 175.243 1.152 18976 453 1 1 . 1 1 80 80 LYS CA C 80 56.144 56.144 55.467 0.677 18976 454 1 1 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.286 1.522 18976 455 1 1 . 1 1 80 80 LYS H H 80 7.955 7.955 8.122 -0.167 18976 456 1 1 . 1 1 81 81 ASP N N 81 121.721 121.721 122.432 -0.711 18976 457 1 1 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.504 0.185 18976 458 1 1 . 1 1 81 81 ASP C C 81 176.644 176.644 176.825 -0.181 18976 459 1 1 . 1 1 81 81 ASP CA C 81 54.286 54.286 54.762 -0.476 18976 460 1 1 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.895 -0.102 18976 461 1 1 . 1 1 81 81 ASP H H 81 8.341 8.341 8.171 0.169 18976 462 1 1 . 1 1 82 82 THR N N 82 114.594 114.594 112.745 1.849 18976 463 1 1 . 1 1 82 82 THR HA H 82 4.323 4.323 4.041 0.282 18976 464 1 1 . 1 1 82 82 THR C C 82 174.584 174.584 175.325 -0.741 18976 465 1 1 . 1 1 82 82 THR CA C 82 61.955 61.955 62.349 -0.394 18976 466 1 1 . 1 1 82 82 THR CB C 82 69.586 69.586 67.781 1.805 18976 467 1 1 . 1 1 82 82 THR H H 82 8.123 8.123 8.417 -0.294 18976 468 1 1 . 1 1 83 83 ASP N N 83 123.126 123.126 121.176 1.950 18976 469 1 1 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.297 0.402 18976 470 1 1 . 1 1 83 83 ASP C C 83 176.674 176.674 177.701 -1.027 18976 471 1 1 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.073 -1.582 18976 472 1 1 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.377 0.663 18976 473 1 1 . 1 1 83 83 ASP H H 83 8.439 8.439 8.696 -0.257 18976 474 1 1 . 1 1 84 84 SER N N 84 116.982 116.982 116.959 0.023 18976 475 1 1 . 1 1 84 84 SER HA H 84 4.458 4.458 4.183 0.275 18976 476 1 1 . 1 1 84 84 SER C C 84 175.393 175.393 176.398 -1.005 18976 477 1 1 . 1 1 84 84 SER CA C 84 58.943 58.943 61.196 -2.253 18976 478 1 1 . 1 1 84 84 SER CB C 84 63.550 63.550 62.671 0.879 18976 479 1 1 . 1 1 84 84 SER H H 84 8.418 8.418 8.383 0.035 18976 480 1 1 . 1 1 85 85 GLU N N 85 122.632 122.632 121.002 1.630 18976 481 1 1 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.049 0.162 18976 482 1 1 . 1 1 85 85 GLU C C 85 177.716 177.716 178.750 -1.034 18976 483 1 1 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.232 -0.693 18976 484 1 1 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.687 0.540 18976 485 1 1 . 1 1 85 85 GLU H H 85 8.504 8.504 8.156 0.348 18976 486 1 1 . 1 1 86 86 GLU N N 86 119.077 119.077 120.138 -1.061 18976 487 1 1 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.089 -0.028 18976 488 1 1 . 1 1 86 86 GLU C C 86 178.885 178.885 178.681 0.204 18976 489 1 1 . 1 1 86 86 GLU CA C 86 59.365 59.365 59.003 0.362 18976 490 1 1 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.413 -0.348 18976 491 1 1 . 1 1 86 86 GLU H H 86 8.333 8.333 8.037 0.296 18976 492 1 1 . 1 1 87 87 GLU N N 87 119.138 119.138 120.332 -1.194 18976 493 1 1 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.155 -0.009 18976 494 1 1 . 1 1 87 87 GLU C C 87 179.823 179.823 179.057 0.766 18976 495 1 1 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.180 -0.270 18976 496 1 1 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.573 -0.307 18976 497 1 1 . 1 1 87 87 GLU H H 87 8.130 8.130 7.754 0.376 18976 498 1 1 . 1 1 88 88 LEU N N 88 122.103 122.103 118.516 3.587 18976 499 1 1 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.291 0.100 18976 500 1 1 . 1 1 88 88 LEU C C 88 178.905 178.905 179.523 -0.618 18976 501 1 1 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.447 0.269 18976 502 1 1 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.753 0.108 18976 503 1 1 . 1 1 88 88 LEU H H 88 8.152 8.152 8.203 -0.051 18976 504 1 1 . 1 1 89 89 ARG N N 89 120.092 120.092 119.595 0.497 18976 505 1 1 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.098 -0.048 18976 506 1 1 . 1 1 89 89 ARG C C 89 179.507 179.507 178.652 0.855 18976 507 1 1 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.858 -0.446 18976 508 1 1 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.921 -0.461 18976 509 1 1 . 1 1 89 89 ARG H H 89 8.499 8.499 8.451 0.048 18976 510 1 1 . 1 1 90 90 GLU N N 90 119.315 119.315 120.029 -0.714 18976 511 1 1 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.128 0.039 18976 512 1 1 . 1 1 90 90 GLU C C 90 178.068 178.068 178.321 -0.253 18976 513 1 1 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.264 -0.673 18976 514 1 1 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.726 -0.797 18976 515 1 1 . 1 1 90 90 GLU H H 90 8.040 8.040 8.087 -0.047 18976 516 1 1 . 1 1 91 91 ALA N N 91 121.794 121.794 121.759 0.035 18976 517 1 1 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.184 0.027 18976 518 1 1 . 1 1 91 91 ALA C C 91 179.855 179.855 179.634 0.221 18976 519 1 1 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.885 -0.159 18976 520 1 1 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.273 -0.703 18976 521 1 1 . 1 1 91 91 ALA H H 91 7.996 7.996 7.897 0.099 18976 522 1 1 . 1 1 92 92 PHE N N 92 119.368 119.368 119.027 0.341 18976 523 1 1 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.882 -0.752 18976 524 1 1 . 1 1 92 92 PHE C C 92 176.454 176.454 176.891 -0.437 18976 525 1 1 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.298 -0.066 18976 526 1 1 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.135 -0.208 18976 527 1 1 . 1 1 92 92 PHE H H 92 8.360 8.360 8.177 0.183 18976 528 1 1 . 1 1 93 93 ARG N N 93 117.178 117.178 119.689 -2.511 18976 529 1 1 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.972 -0.107 18976 530 1 1 . 1 1 93 93 ARG C C 93 178.421 178.421 177.870 0.551 18976 531 1 1 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.095 -0.254 18976 532 1 1 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.375 -0.469 18976 533 1 1 . 1 1 93 93 ARG H H 93 7.895 7.895 7.337 0.558 18976 534 1 1 . 1 1 94 94 VAL N N 94 115.719 115.719 117.903 -2.184 18976 535 1 1 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.610 -0.010 18976 536 1 1 . 1 1 94 94 VAL C C 94 177.334 177.334 177.492 -0.158 18976 537 1 1 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.521 -0.489 18976 538 1 1 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.790 -0.246 18976 539 1 1 . 1 1 94 94 VAL H H 94 7.541 7.541 7.657 -0.116 18976 540 1 1 . 1 1 95 95 GLU N N 95 117.921 117.921 116.308 1.613 18976 541 1 1 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.106 -0.098 18976 542 1 1 . 1 1 95 95 GLU C C 95 176.953 176.953 176.813 0.140 18976 543 1 1 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.002 0.254 18976 544 1 1 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.221 -1.534 18976 545 1 1 . 1 1 95 95 GLU H H 95 7.011 7.011 7.635 -0.624 18976 546 1 1 . 1 1 96 96 ASP N N 96 117.365 117.365 119.009 -1.644 18976 547 1 1 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.872 -0.422 18976 548 1 1 . 1 1 96 96 ASP C C 96 177.202 177.202 176.212 0.990 18976 549 1 1 . 1 1 96 96 ASP CA C 96 51.473 51.473 51.970 -0.497 18976 550 1 1 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.680 -1.606 18976 551 1 1 . 1 1 96 96 ASP H H 96 7.626 7.626 7.575 0.051 18976 552 1 1 . 1 1 97 97 LYS N N 97 124.733 124.733 121.797 2.936 18976 553 1 1 . 1 1 97 97 LYS HA H 97 3.901 3.901 3.981 -0.080 18976 554 1 1 . 1 1 97 97 LYS C C 97 178.333 178.333 177.575 0.758 18976 555 1 1 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.350 0.255 18976 556 1 1 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.277 0.153 18976 557 1 1 . 1 1 97 97 LYS H H 97 7.357 7.357 7.689 -0.332 18976 558 1 1 . 1 1 98 98 ASP N N 98 114.048 114.048 114.951 -0.903 18976 559 1 1 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.423 0.145 18976 560 1 1 . 1 1 98 98 ASP C C 98 177.775 177.775 177.363 0.412 18976 561 1 1 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.045 -1.389 18976 562 1 1 . 1 1 98 98 ASP CB C 98 39.593 39.593 39.952 -0.359 18976 563 1 1 . 1 1 98 98 ASP H H 98 8.352 8.352 8.177 0.175 18976 564 1 1 . 1 1 99 99 GLY N N 99 109.454 109.454 109.653 -0.199 18976 565 1 1 . 1 1 99 99 GLY C C 99 175.082 175.082 174.712 0.370 18976 566 1 1 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.686 1.141 18976 567 1 1 . 1 1 99 99 GLY H H 99 7.828 7.828 7.956 -0.128 18976 568 1 1 . 1 1 100 100 ASN N N 100 119.607 119.607 118.548 1.059 18976 569 1 1 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.716 -0.081 18976 570 1 1 . 1 1 100 100 ASN C C 100 175.969 175.969 176.289 -0.320 18976 571 1 1 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.119 0.364 18976 572 1 1 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.146 -1.265 18976 573 1 1 . 1 1 100 100 ASN H H 100 8.334 8.334 8.264 0.070 18976 574 1 1 . 1 1 101 101 GLY N N 101 113.007 113.007 108.272 4.735 18976 575 1 1 . 1 1 101 101 GLY C C 101 172.314 172.314 173.055 -0.741 18976 576 1 1 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.269 -0.587 18976 577 1 1 . 1 1 101 101 GLY H H 101 10.640 10.640 8.026 2.614 18976 578 1 1 . 1 1 102 102 TYR N N 102 115.913 115.913 114.467 1.446 18976 579 1 1 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.491 -0.305 18976 580 1 1 . 1 1 102 102 TYR C C 102 174.736 174.736 173.500 1.236 18976 581 1 1 . 1 1 102 102 TYR CA C 102 55.662 55.662 55.100 0.562 18976 582 1 1 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.887 1.914 18976 583 1 1 . 1 1 102 102 TYR H H 102 7.610 7.610 7.703 -0.093 18976 584 1 1 . 1 1 103 103 ILE N N 103 127.698 127.698 122.356 5.342 18976 585 1 1 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.594 0.222 18976 586 1 1 . 1 1 103 103 ILE C C 103 175.634 175.634 175.862 -0.228 18976 587 1 1 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.774 0.664 18976 588 1 1 . 1 1 103 103 ILE CB C 103 38.919 38.919 40.543 -1.624 18976 589 1 1 . 1 1 103 103 ILE H H 103 10.228 10.228 8.333 1.895 18976 590 1 1 . 1 1 104 104 SER N N 104 123.581 123.581 120.564 3.017 18976 591 1 1 . 1 1 104 104 SER HA H 104 4.849 4.849 5.142 -0.293 18976 592 1 1 . 1 1 104 104 SER C C 104 175.191 175.191 175.200 -0.009 18976 593 1 1 . 1 1 104 104 SER CA C 104 55.499 55.499 54.901 0.598 18976 594 1 1 . 1 1 104 104 SER CB C 104 66.371 66.371 65.534 0.837 18976 595 1 1 . 1 1 104 104 SER H H 104 8.947 8.947 8.273 0.674 18976 596 1 1 . 1 1 105 105 ALA N N 105 122.829 122.829 124.625 -1.796 18976 597 1 1 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.074 -0.145 18976 598 1 1 . 1 1 105 105 ALA C C 105 179.272 179.272 178.806 0.466 18976 599 1 1 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.561 0.099 18976 600 1 1 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.633 -0.950 18976 601 1 1 . 1 1 105 105 ALA H H 105 9.251 9.251 9.105 0.146 18976 602 1 1 . 1 1 106 106 ALA N N 106 118.442 118.442 120.462 -2.020 18976 603 1 1 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.988 0.049 18976 604 1 1 . 1 1 106 106 ALA C C 106 181.180 181.180 179.229 1.951 18976 605 1 1 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.535 0.306 18976 606 1 1 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.319 -0.276 18976 607 1 1 . 1 1 106 106 ALA H H 106 8.209 8.209 8.017 0.192 18976 608 1 1 . 1 1 107 107 GLU N N 107 118.406 118.406 118.367 0.039 18976 609 1 1 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.954 0.038 18976 610 1 1 . 1 1 107 107 GLU C C 107 179.272 179.272 178.628 0.644 18976 611 1 1 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.127 0.014 18976 612 1 1 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.240 -0.484 18976 613 1 1 . 1 1 107 107 GLU H H 107 7.752 7.752 7.840 -0.088 18976 614 1 1 . 1 1 108 108 LEU N N 108 122.413 122.413 119.579 2.834 18976 615 1 1 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.012 0.060 18976 616 1 1 . 1 1 108 108 LEU C C 108 178.553 178.553 178.987 -0.434 18976 617 1 1 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.802 -0.510 18976 618 1 1 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.521 -0.078 18976 619 1 1 . 1 1 108 108 LEU H H 108 8.793 8.793 8.004 0.789 18976 620 1 1 . 1 1 109 109 ARG N N 109 118.074 118.074 119.039 -0.965 18976 621 1 1 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.990 -0.133 18976 622 1 1 . 1 1 109 109 ARG C C 109 179.140 179.140 178.881 0.259 18976 623 1 1 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.645 0.141 18976 624 1 1 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.121 -0.297 18976 625 1 1 . 1 1 109 109 ARG H H 109 8.421 8.421 7.689 0.732 18976 626 1 1 . 1 1 110 110 ILE N N 110 120.191 120.191 119.309 0.882 18976 627 1 1 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.902 -0.115 18976 628 1 1 . 1 1 110 110 ILE C C 110 177.804 177.804 177.269 0.535 18976 629 1 1 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.604 0.949 18976 630 1 1 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.250 -0.192 18976 631 1 1 . 1 1 110 110 ILE H H 110 7.401 7.401 7.515 -0.114 18976 632 1 1 . 1 1 111 111 VAL N N 111 120.330 120.330 121.392 -1.062 18976 633 1 1 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.870 -0.107 18976 634 1 1 . 1 1 111 111 VAL C C 111 178.802 178.802 177.314 1.488 18976 635 1 1 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.199 0.491 18976 636 1 1 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.036 -0.444 18976 637 1 1 . 1 1 111 111 VAL H H 111 7.907 7.907 7.573 0.334 18976 638 1 1 . 1 1 112 112 MET N N 112 116.794 116.794 118.261 -1.467 18976 639 1 1 . 1 1 112 112 MET HA H 112 4.396 4.396 4.243 0.153 18976 640 1 1 . 1 1 112 112 MET C C 112 178.890 178.890 178.506 0.384 18976 641 1 1 . 1 1 112 112 MET CA C 112 56.719 56.719 57.212 -0.493 18976 642 1 1 . 1 1 112 112 MET CB C 112 30.384 30.384 31.036 -0.652 18976 643 1 1 . 1 1 112 112 MET H H 112 8.355 8.355 8.176 0.179 18976 644 1 1 . 1 1 113 113 THR N N 113 117.282 117.282 112.296 4.986 18976 645 1 1 . 1 1 113 113 THR HA H 113 4.187 4.187 3.936 0.251 18976 646 1 1 . 1 1 113 113 THR C C 113 178.112 178.112 176.758 1.354 18976 647 1 1 . 1 1 113 113 THR CA C 113 65.902 65.902 65.724 0.178 18976 648 1 1 . 1 1 113 113 THR CB C 113 68.642 68.642 68.370 0.272 18976 649 1 1 . 1 1 113 113 THR H H 113 8.314 8.314 7.924 0.390 18976 650 1 1 . 1 1 114 114 ASN N N 114 122.220 122.220 119.484 2.736 18976 651 1 1 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.628 -0.036 18976 652 1 1 . 1 1 114 114 ASN C C 114 176.644 176.644 177.248 -0.604 18976 653 1 1 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.744 0.410 18976 654 1 1 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.568 -0.972 18976 655 1 1 . 1 1 114 114 ASN H H 114 8.483 8.483 7.745 0.738 18976 656 1 1 . 1 1 115 115 ARG N N 115 117.970 117.970 119.165 -1.195 18976 657 1 1 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.272 0.157 18976 658 1 1 . 1 1 115 115 ARG C C 115 176.366 176.366 177.313 -0.947 18976 659 1 1 . 1 1 115 115 ARG CA C 115 56.399 56.399 57.267 -0.868 18976 660 1 1 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.355 0.145 18976 661 1 1 . 1 1 115 115 ARG H H 115 7.776 7.776 8.066 -0.290 18976 662 1 1 . 1 1 116 116 GLY N N 116 107.547 107.547 106.651 0.896 18976 663 1 1 . 1 1 116 116 GLY C C 116 174.384 174.384 174.721 -0.337 18976 664 1 1 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.483 -0.276 18976 665 1 1 . 1 1 116 116 GLY H H 116 7.968 7.968 7.811 0.157 18976 666 1 1 . 1 1 117 117 GLU N N 117 119.975 119.975 119.859 0.116 18976 667 1 1 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.432 -0.026 18976 668 1 1 . 1 1 117 117 GLU C C 117 175.558 175.558 175.456 0.102 18976 669 1 1 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.786 0.391 18976 670 1 1 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.859 0.541 18976 671 1 1 . 1 1 117 117 GLU H H 117 7.934 7.934 8.060 -0.126 18976 672 1 1 . 1 1 118 118 LYS N N 118 124.035 124.035 119.682 4.353 18976 673 1 1 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.141 0.263 18976 674 1 1 . 1 1 118 118 LYS C C 118 175.441 175.441 175.907 -0.466 18976 675 1 1 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.863 -1.596 18976 676 1 1 . 1 1 118 118 LYS CB C 118 31.850 31.850 31.984 -0.134 18976 677 1 1 . 1 1 118 118 LYS H H 118 8.626 8.626 7.894 0.732 18976 678 1 1 . 1 1 119 119 LEU N N 119 124.745 124.745 126.648 -1.903 18976 679 1 1 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.596 0.174 18976 680 1 1 . 1 1 119 119 LEU C C 119 178.127 178.127 177.185 0.942 18976 681 1 1 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.313 0.526 18976 682 1 1 . 1 1 119 119 LEU CB C 119 44.323 44.323 43.890 0.433 18976 683 1 1 . 1 1 119 119 LEU H H 119 8.140 8.140 8.241 -0.101 18976 684 1 1 . 1 1 120 120 THR N N 120 114.555 114.555 116.927 -2.372 18976 685 1 1 . 1 1 120 120 THR HA H 120 4.477 4.477 4.150 0.327 18976 686 1 1 . 1 1 120 120 THR C C 120 175.514 175.514 175.198 0.316 18976 687 1 1 . 1 1 120 120 THR CA C 120 60.613 60.613 62.858 -2.245 18976 688 1 1 . 1 1 120 120 THR CB C 120 70.902 70.902 69.877 1.024 18976 689 1 1 . 1 1 120 120 THR H H 120 9.220 9.220 8.341 0.879 18976 690 1 1 . 1 1 121 121 ASP N N 121 121.128 121.128 122.129 -1.001 18976 691 1 1 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.319 -0.091 18976 692 1 1 . 1 1 121 121 ASP C C 121 178.655 178.655 177.853 0.802 18976 693 1 1 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.294 0.458 18976 694 1 1 . 1 1 121 121 ASP CB C 121 39.315 39.315 41.129 -1.814 18976 695 1 1 . 1 1 121 121 ASP H H 121 8.921 8.921 8.767 0.154 18976 696 1 1 . 1 1 122 122 GLU N N 122 119.266 119.266 118.468 0.798 18976 697 1 1 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.017 0.102 18976 698 1 1 . 1 1 122 122 GLU C C 122 179.184 179.184 178.216 0.968 18976 699 1 1 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.183 0.589 18976 700 1 1 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.438 -0.572 18976 701 1 1 . 1 1 122 122 GLU H H 122 8.712 8.712 8.304 0.408 18976 702 1 1 . 1 1 123 123 GLU N N 123 120.455 120.455 117.965 2.490 18976 703 1 1 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.091 -0.068 18976 704 1 1 . 1 1 123 123 GLU C C 123 180.123 180.123 179.264 0.859 18976 705 1 1 . 1 1 123 123 GLU CA C 123 59.090 59.090 59.162 -0.072 18976 706 1 1 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.039 1.174 18976 707 1 1 . 1 1 123 123 GLU H H 123 7.763 7.763 8.578 -0.815 18976 708 1 1 . 1 1 124 124 VAL N N 124 121.726 121.726 113.854 7.872 18976 709 1 1 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.937 -0.330 18976 710 1 1 . 1 1 124 124 VAL C C 124 177.337 177.337 177.560 -0.223 18976 711 1 1 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.621 1.111 18976 712 1 1 . 1 1 124 124 VAL CB C 124 31.042 31.042 30.735 0.307 18976 713 1 1 . 1 1 124 124 VAL H H 124 8.119 8.119 7.943 0.176 18976 714 1 1 . 1 1 125 125 ASP N N 125 119.880 119.880 120.182 -0.302 18976 715 1 1 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.455 -0.104 18976 716 1 1 . 1 1 125 125 ASP C C 125 179.323 179.323 177.995 1.328 18976 717 1 1 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.143 0.232 18976 718 1 1 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.998 -0.886 18976 719 1 1 . 1 1 125 125 ASP H H 125 8.051 8.051 7.791 0.260 18976 720 1 1 . 1 1 126 126 GLU N N 126 119.798 119.798 119.575 0.223 18976 721 1 1 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.049 -0.028 18976 722 1 1 . 1 1 126 126 GLU C C 126 177.966 177.966 179.004 -1.038 18976 723 1 1 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.022 -0.049 18976 724 1 1 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.178 -0.094 18976 725 1 1 . 1 1 126 126 GLU H H 126 8.047 8.047 8.011 0.036 18976 726 1 1 . 1 1 127 127 MET N N 127 119.443 119.443 117.852 1.591 18976 727 1 1 . 1 1 127 127 MET HA H 127 4.137 4.137 4.354 -0.217 18976 728 1 1 . 1 1 127 127 MET C C 127 179.859 179.859 178.857 1.002 18976 729 1 1 . 1 1 127 127 MET CA C 127 59.137 59.137 58.788 0.350 18976 730 1 1 . 1 1 127 127 MET CB C 127 32.239 32.239 32.525 -0.286 18976 731 1 1 . 1 1 127 127 MET H H 127 7.795 7.795 7.352 0.443 18976 732 1 1 . 1 1 128 128 ILE N N 128 120.667 120.667 118.711 1.956 18976 733 1 1 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.737 -0.216 18976 734 1 1 . 1 1 128 128 ILE C C 128 177.657 177.657 178.293 -0.636 18976 735 1 1 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.422 -0.610 18976 736 1 1 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.493 -0.506 18976 737 1 1 . 1 1 128 128 ILE H H 128 8.158 8.158 7.700 0.458 18976 738 1 1 . 1 1 129 129 ARG N N 129 119.725 119.725 117.747 1.978 18976 739 1 1 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.321 -0.252 18976 740 1 1 . 1 1 129 129 ARG C C 129 178.920 178.920 178.123 0.797 18976 741 1 1 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.548 1.067 18976 742 1 1 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.225 -0.343 18976 743 1 1 . 1 1 129 129 ARG H H 129 8.270 8.270 7.548 0.722 18976 744 1 1 . 1 1 130 130 GLU N N 130 115.236 115.236 117.194 -1.958 18976 745 1 1 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.131 -0.037 18976 746 1 1 . 1 1 130 130 GLU C C 130 177.349 177.349 177.692 -0.343 18976 747 1 1 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.609 -0.709 18976 748 1 1 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.752 0.071 18976 749 1 1 . 1 1 130 130 GLU H H 130 7.953 7.953 7.822 0.131 18976 750 1 1 . 1 1 131 131 THR N N 131 112.585 112.585 111.389 1.196 18976 751 1 1 . 1 1 131 131 THR HA H 131 4.239 4.239 4.351 -0.112 18976 752 1 1 . 1 1 131 131 THR C C 131 174.149 174.149 173.443 0.706 18976 753 1 1 . 1 1 131 131 THR CA C 131 62.887 62.887 63.437 -0.550 18976 754 1 1 . 1 1 131 131 THR CB C 131 69.337 69.337 70.512 -1.175 18976 755 1 1 . 1 1 131 131 THR H H 131 7.465 7.465 7.525 -0.060 18976 756 1 1 . 1 1 132 132 ASP N N 132 121.237 121.237 120.464 0.773 18976 757 1 1 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.757 -0.279 18976 758 1 1 . 1 1 132 132 ASP C C 132 175.777 175.777 177.100 -1.323 18976 759 1 1 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.858 1.096 18976 760 1 1 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.648 -2.208 18976 761 1 1 . 1 1 132 132 ASP H H 132 8.070 8.070 7.988 0.082 18976 762 1 1 . 1 1 133 133 ILE N N 133 127.244 127.244 123.814 3.430 18976 763 1 1 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.049 -0.073 18976 764 1 1 . 1 1 133 133 ILE C C 133 177.628 177.628 176.428 1.200 18976 765 1 1 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.406 0.460 18976 766 1 1 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.640 -0.162 18976 767 1 1 . 1 1 133 133 ILE H H 133 8.345 8.345 8.424 -0.079 18976 768 1 1 . 1 1 134 134 ASP N N 134 116.893 116.893 118.774 -1.881 18976 769 1 1 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.540 -0.007 18976 770 1 1 . 1 1 134 134 ASP C C 134 178.259 178.259 177.399 0.860 18976 771 1 1 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.196 -0.653 18976 772 1 1 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.641 -0.803 18976 773 1 1 . 1 1 134 134 ASP H H 134 8.297 8.297 7.879 0.418 18976 774 1 1 . 1 1 135 135 GLY N N 135 108.287 108.287 108.098 0.189 18976 775 1 1 . 1 1 135 135 GLY C C 135 175.250 175.250 175.420 -0.170 18976 776 1 1 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.892 1.205 18976 777 1 1 . 1 1 135 135 GLY H H 135 7.623 7.623 8.053 -0.430 18976 778 1 1 . 1 1 136 136 ASP N N 136 120.541 120.541 120.510 0.031 18976 779 1 1 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.522 -0.042 18976 780 1 1 . 1 1 136 136 ASP C C 136 177.584 177.584 177.906 -0.322 18976 781 1 1 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.616 -0.241 18976 782 1 1 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.949 -1.056 18976 783 1 1 . 1 1 136 136 ASP H H 136 8.290 8.290 8.116 0.174 18976 784 1 1 . 1 1 137 137 GLY N N 137 112.490 112.490 108.869 3.621 18976 785 1 1 . 1 1 137 137 GLY C C 137 172.828 172.828 173.334 -0.506 18976 786 1 1 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.264 0.206 18976 787 1 1 . 1 1 137 137 GLY H H 137 10.224 10.224 8.310 1.914 18976 788 1 1 . 1 1 138 138 GLN N N 138 115.266 115.266 118.317 -3.051 18976 789 1 1 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.333 -0.464 18976 790 1 1 . 1 1 138 138 GLN C C 138 174.677 174.677 174.888 -0.211 18976 791 1 1 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.171 -1.385 18976 792 1 1 . 1 1 138 138 GLN CB C 138 31.743 31.743 32.997 -1.254 18976 793 1 1 . 1 1 138 138 GLN H H 138 7.992 7.992 8.205 -0.213 18976 794 1 1 . 1 1 139 139 VAL N N 139 125.667 125.667 124.936 0.731 18976 795 1 1 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.561 0.551 18976 796 1 1 . 1 1 139 139 VAL C C 139 175.763 175.763 174.865 0.898 18976 797 1 1 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.516 0.163 18976 798 1 1 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.805 0.727 18976 799 1 1 . 1 1 139 139 VAL H H 139 9.227 9.227 8.780 0.447 18976 800 1 1 . 1 1 140 140 ASN N N 140 128.431 128.431 125.883 2.548 18976 801 1 1 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.711 -0.437 18976 802 1 1 . 1 1 140 140 ASN C C 140 175.079 175.079 176.128 -1.049 18976 803 1 1 . 1 1 140 140 ASN CA C 140 50.666 50.666 52.037 -1.371 18976 804 1 1 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.042 -2.815 18976 805 1 1 . 1 1 140 140 ASN H H 140 9.360 9.360 8.199 1.161 18976 806 1 1 . 1 1 141 141 TYR N N 141 119.146 119.146 122.705 -3.559 18976 807 1 1 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.767 -0.381 18976 808 1 1 . 1 1 141 141 TYR C C 141 176.092 176.092 176.920 -0.828 18976 809 1 1 . 1 1 141 141 TYR CA C 141 62.058 62.058 63.379 -1.321 18976 810 1 1 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.485 -1.126 18976 811 1 1 . 1 1 141 141 TYR H H 141 8.451 8.451 9.076 -0.625 18976 812 1 1 . 1 1 142 142 GLU N N 142 118.431 118.431 116.728 1.703 18976 813 1 1 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.017 -0.335 18976 814 1 1 . 1 1 142 142 GLU C C 142 180.226 180.226 177.945 2.281 18976 815 1 1 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.213 0.870 18976 816 1 1 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.596 -0.050 18976 817 1 1 . 1 1 142 142 GLU H H 142 8.097 8.097 8.759 -0.662 18976 818 1 1 . 1 1 143 143 GLU N N 143 120.068 120.068 117.574 2.494 18976 819 1 1 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.242 -0.252 18976 820 1 1 . 1 1 143 143 GLU C C 143 179.060 179.060 178.713 0.347 18976 821 1 1 . 1 1 143 143 GLU CA C 143 58.574 58.574 57.823 0.751 18976 822 1 1 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.734 -0.552 18976 823 1 1 . 1 1 143 143 GLU H H 143 8.667 8.667 7.791 0.876 18976 824 1 1 . 1 1 144 144 PHE N N 144 123.392 123.392 123.745 -0.353 18976 825 1 1 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.222 -0.255 18976 826 1 1 . 1 1 144 144 PHE C C 144 176.982 176.982 177.781 -0.799 18976 827 1 1 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.391 0.055 18976 828 1 1 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.428 0.267 18976 829 1 1 . 1 1 144 144 PHE H H 144 8.731 8.731 9.007 -0.276 18976 830 1 1 . 1 1 145 145 VAL N N 145 119.201 119.201 118.595 0.606 18976 831 1 1 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.434 -0.241 18976 832 1 1 . 1 1 145 145 VAL C C 145 179.228 179.228 176.870 2.358 18976 833 1 1 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.285 1.377 18976 834 1 1 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.529 -0.245 18976 835 1 1 . 1 1 145 145 VAL H H 145 8.671 8.671 7.841 0.830 18976 836 1 1 . 1 1 146 146 GLN N N 146 119.252 119.252 118.882 0.370 18976 837 1 1 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.882 0.034 18976 838 1 1 . 1 1 146 146 GLN C C 146 177.825 177.825 177.934 -0.109 18976 839 1 1 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.367 -0.800 18976 840 1 1 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.445 -0.625 18976 841 1 1 . 1 1 146 146 GLN H H 146 7.767 7.767 7.546 0.221 18976 842 1 1 . 1 1 147 147 ARG N N 147 118.529 118.529 119.163 -0.634 18976 843 1 1 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.013 0.159 18976 844 1 1 . 1 1 147 147 ARG C C 147 178.112 178.112 178.588 -0.476 18976 845 1 1 . 1 1 147 147 ARG CA C 147 57.509 57.509 59.201 -1.692 18976 846 1 1 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.874 0.240 18976 847 1 1 . 1 1 147 147 ARG H H 147 7.628 7.628 7.495 0.133 18976 848 1 1 . 1 1 148 148 MET N N 148 115.755 115.755 117.529 -1.774 18976 849 1 1 . 1 1 148 148 MET HA H 148 4.304 4.304 4.236 0.068 18976 850 1 1 . 1 1 148 148 MET C C 148 177.628 177.628 178.355 -0.727 18976 851 1 1 . 1 1 148 148 MET CA C 148 55.489 55.489 57.053 -1.564 18976 852 1 1 . 1 1 148 148 MET CB C 148 31.773 31.773 31.445 0.328 18976 853 1 1 . 1 1 148 148 MET H H 148 8.003 8.003 7.415 0.588 18976 854 1 1 . 1 1 149 149 THR N N 149 110.062 110.062 114.073 -4.011 18976 855 1 1 . 1 1 149 149 THR HA H 149 4.349 4.349 4.088 0.261 18976 856 1 1 . 1 1 149 149 THR C C 149 174.149 174.149 176.117 -1.968 18976 857 1 1 . 1 1 149 149 THR CA C 149 61.775 61.775 65.390 -3.615 18976 858 1 1 . 1 1 149 149 THR CB C 149 69.780 69.780 68.881 0.899 18976 859 1 1 . 1 1 149 149 THR H H 149 7.682 7.682 7.982 -0.300 18976 860 1 1 . 1 1 150 150 ALA N N 150 126.503 126.503 123.083 3.420 18976 861 1 1 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.152 0.178 18976 862 1 1 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.737 -0.202 18976 863 1 1 . 1 1 150 150 ALA CB C 150 18.734 18.734 19.479 -0.745 18976 864 1 1 . 1 1 150 150 ALA H H 150 7.651 7.651 7.873 -0.222 18976 865 1 2 . 1 1 2 2 LEU HA H 2 4.421 4.421 5.116 -0.695 18976 866 1 2 . 1 1 2 2 LEU C C 2 177.129 177.129 175.600 1.529 18976 867 1 2 . 1 1 2 2 LEU CA C 2 55.122 55.122 54.777 0.345 18976 868 1 2 . 1 1 2 2 LEU CB C 2 42.453 42.453 42.996 -0.543 18976 869 1 2 . 1 1 2 2 LEU H H 2 8.641 8.641 8.609 0.032 18976 870 1 2 . 1 1 3 3 MET N N 3 120.143 120.143 123.394 -3.251 18976 871 1 2 . 1 1 3 3 MET HA H 3 4.451 4.451 4.635 -0.184 18976 872 1 2 . 1 1 3 3 MET C C 3 176.835 176.835 176.986 -0.151 18976 873 1 2 . 1 1 3 3 MET CA C 3 55.160 55.160 55.244 -0.084 18976 874 1 2 . 1 1 3 3 MET CB C 3 32.584 32.584 32.708 -0.124 18976 875 1 2 . 1 1 3 3 MET H H 3 8.396 8.396 8.581 -0.185 18976 876 1 2 . 1 1 4 4 ALA N N 4 123.344 123.344 122.909 0.435 18976 877 1 2 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.970 0.090 18976 878 1 2 . 1 1 4 4 ALA C C 4 177.922 177.922 177.716 0.206 18976 879 1 2 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.318 -0.768 18976 880 1 2 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.513 0.043 18976 881 1 2 . 1 1 4 4 ALA H H 4 8.396 8.396 8.519 -0.123 18976 882 1 2 . 1 1 5 5 ASP N N 5 116.052 116.052 116.072 -0.020 18976 883 1 2 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.494 0.015 18976 884 1 2 . 1 1 5 5 ASP C C 5 176.366 176.366 177.616 -1.250 18976 885 1 2 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.819 -1.196 18976 886 1 2 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.714 -0.451 18976 887 1 2 . 1 1 5 5 ASP H H 5 8.114 8.114 8.489 -0.374 18976 888 1 2 . 1 1 6 6 GLN N N 6 117.717 117.717 118.032 -0.315 18976 889 1 2 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.221 0.155 18976 890 1 2 . 1 1 6 6 GLN C C 6 175.842 175.842 176.547 -0.705 18976 891 1 2 . 1 1 6 6 GLN CA C 6 55.311 55.311 56.408 -1.097 18976 892 1 2 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.111 0.479 18976 893 1 2 . 1 1 6 6 GLN H H 6 7.935 7.935 7.869 0.066 18976 894 1 2 . 1 1 7 7 LEU N N 7 121.086 121.086 120.498 0.588 18976 895 1 2 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.518 0.158 18976 896 1 2 . 1 1 7 7 LEU C C 7 177.496 177.496 176.856 0.640 18976 897 1 2 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.553 -0.489 18976 898 1 2 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.687 0.581 18976 899 1 2 . 1 1 7 7 LEU H H 7 7.713 7.713 7.778 -0.065 18976 900 1 2 . 1 1 8 8 THR N N 8 112.688 112.688 109.008 3.680 18976 901 1 2 . 1 1 8 8 THR HA H 8 4.475 4.475 4.660 -0.185 18976 902 1 2 . 1 1 8 8 THR C C 8 175.511 175.511 175.500 0.011 18976 903 1 2 . 1 1 8 8 THR CA C 8 60.256 60.256 59.672 0.584 18976 904 1 2 . 1 1 8 8 THR CB C 8 71.019 71.019 70.870 0.149 18976 905 1 2 . 1 1 8 8 THR H H 8 8.800 8.800 7.931 0.869 18976 906 1 2 . 1 1 9 9 GLU N N 9 120.380 120.380 120.075 0.305 18976 907 1 2 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.100 -0.120 18976 908 1 2 . 1 1 9 9 GLU C C 9 179.492 179.492 178.395 1.097 18976 909 1 2 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.037 0.889 18976 910 1 2 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.507 -0.582 18976 911 1 2 . 1 1 9 9 GLU H H 9 9.040 9.040 9.003 0.037 18976 912 1 2 . 1 1 10 10 GLU N N 10 119.361 119.361 118.471 0.890 18976 913 1 2 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.069 0.005 18976 914 1 2 . 1 1 10 10 GLU C C 10 179.185 179.185 179.151 0.034 18976 915 1 2 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.178 0.589 18976 916 1 2 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.075 -0.279 18976 917 1 2 . 1 1 10 10 GLU H H 10 8.729 8.729 7.857 0.872 18976 918 1 2 . 1 1 11 11 GLN N N 11 120.302 120.302 118.633 1.669 18976 919 1 2 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.095 -0.227 18976 920 1 2 . 1 1 11 11 GLN C C 11 178.318 178.318 178.572 -0.254 18976 921 1 2 . 1 1 11 11 GLN CA C 11 58.384 58.384 57.917 0.466 18976 922 1 2 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.762 0.123 18976 923 1 2 . 1 1 11 11 GLN H H 11 7.747 7.747 7.496 0.251 18976 924 1 2 . 1 1 12 12 ILE N N 12 119.533 119.533 120.870 -1.337 18976 925 1 2 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.899 -0.181 18976 926 1 2 . 1 1 12 12 ILE C C 12 177.731 177.731 177.673 0.058 18976 927 1 2 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.330 0.629 18976 928 1 2 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.701 -0.190 18976 929 1 2 . 1 1 12 12 ILE H H 12 8.456 8.456 8.040 0.416 18976 930 1 2 . 1 1 13 13 ALA N N 13 121.161 121.161 121.761 -0.600 18976 931 1 2 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.030 0.109 18976 932 1 2 . 1 1 13 13 ALA C C 13 181.019 181.019 178.676 2.343 18976 933 1 2 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.351 -0.228 18976 934 1 2 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.273 -0.769 18976 935 1 2 . 1 1 13 13 ALA H H 13 8.018 8.018 7.915 0.103 18976 936 1 2 . 1 1 14 14 GLU N N 14 119.619 119.619 117.175 2.444 18976 937 1 2 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.171 -0.007 18976 938 1 2 . 1 1 14 14 GLU C C 14 180.534 180.534 178.808 1.726 18976 939 1 2 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.249 0.875 18976 940 1 2 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.468 -0.615 18976 941 1 2 . 1 1 14 14 GLU H H 14 7.792 7.792 7.689 0.103 18976 942 1 2 . 1 1 15 15 PHE N N 15 120.089 120.089 121.134 -1.045 18976 943 1 2 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.506 0.558 18976 944 1 2 . 1 1 15 15 PHE C C 15 178.700 178.700 177.785 0.915 18976 945 1 2 . 1 1 15 15 PHE CA C 15 58.857 58.857 60.231 -1.374 18976 946 1 2 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.938 -1.462 18976 947 1 2 . 1 1 15 15 PHE H H 15 8.587 8.587 8.155 0.432 18976 948 1 2 . 1 1 16 16 LYS N N 16 123.715 123.715 120.046 3.669 18976 949 1 2 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.262 -0.217 18976 950 1 2 . 1 1 16 16 LYS C C 16 179.327 179.327 178.458 0.869 18976 951 1 2 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.923 -0.053 18976 952 1 2 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.861 -0.288 18976 953 1 2 . 1 1 16 16 LYS H H 16 9.256 9.256 8.458 0.798 18976 954 1 2 . 1 1 17 17 GLU N N 17 120.262 120.262 119.728 0.534 18976 955 1 2 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.132 0.024 18976 956 1 2 . 1 1 17 17 GLU C C 17 179.456 179.456 178.867 0.589 18976 957 1 2 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.970 0.037 18976 958 1 2 . 1 1 17 17 GLU CB C 17 28.809 28.809 28.975 -0.166 18976 959 1 2 . 1 1 17 17 GLU H H 17 7.774 7.774 8.015 -0.241 18976 960 1 2 . 1 1 18 18 ALA N N 18 122.590 122.590 122.593 -0.003 18976 961 1 2 . 1 1 18 18 ALA HA H 18 4.315 4.315 3.913 0.402 18976 962 1 2 . 1 1 18 18 ALA C C 18 179.060 179.060 178.921 0.139 18976 963 1 2 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.646 0.183 18976 964 1 2 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.163 -0.365 18976 965 1 2 . 1 1 18 18 ALA H H 18 8.001 8.001 7.636 0.365 18976 966 1 2 . 1 1 19 19 PHE N N 19 119.363 119.363 118.720 0.643 18976 967 1 2 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.281 -0.047 18976 968 1 2 . 1 1 19 19 PHE C C 19 177.290 177.290 177.108 0.182 18976 969 1 2 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.626 1.131 18976 970 1 2 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.891 0.248 18976 971 1 2 . 1 1 19 19 PHE H H 19 8.859 8.859 8.141 0.718 18976 972 1 2 . 1 1 20 20 SER N N 20 112.556 112.556 114.450 -1.894 18976 973 1 2 . 1 1 20 20 SER HA H 20 4.142 4.142 4.000 0.142 18976 974 1 2 . 1 1 20 20 SER C C 20 174.955 174.955 175.978 -1.023 18976 975 1 2 . 1 1 20 20 SER CA C 20 61.007 61.007 61.272 -0.265 18976 976 1 2 . 1 1 20 20 SER CB C 20 62.960 62.960 63.429 -0.469 18976 977 1 2 . 1 1 20 20 SER H H 20 7.934 7.934 7.884 0.050 18976 978 1 2 . 1 1 21 21 LEU N N 21 120.816 120.816 121.496 -0.680 18976 979 1 2 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.113 -0.097 18976 980 1 2 . 1 1 21 21 LEU C C 21 178.010 178.010 178.476 -0.466 18976 981 1 2 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.302 -0.507 18976 982 1 2 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.120 -0.987 18976 983 1 2 . 1 1 21 21 LEU H H 21 7.434 7.434 7.329 0.105 18976 984 1 2 . 1 1 22 22 PHE N N 22 115.049 115.049 113.829 1.220 18976 985 1 2 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.294 -0.050 18976 986 1 2 . 1 1 22 22 PHE C C 22 176.762 176.762 177.036 -0.274 18976 987 1 2 . 1 1 22 22 PHE CA C 22 59.020 59.020 57.115 1.905 18976 988 1 2 . 1 1 22 22 PHE CB C 22 40.730 40.730 38.442 2.288 18976 989 1 2 . 1 1 22 22 PHE H H 22 7.326 7.326 7.898 -0.572 18976 990 1 2 . 1 1 23 23 ASP N N 23 117.496 117.496 119.422 -1.926 18976 991 1 2 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.807 -0.256 18976 992 1 2 . 1 1 23 23 ASP C C 23 177.167 177.167 176.432 0.735 18976 993 1 2 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.318 -1.277 18976 994 1 2 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.548 -0.950 18976 995 1 2 . 1 1 23 23 ASP H H 23 7.851 7.851 7.581 0.270 18976 996 1 2 . 1 1 24 24 LYS N N 24 124.470 124.470 123.278 1.192 18976 997 1 2 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.030 -0.046 18976 998 1 2 . 1 1 24 24 LYS C C 24 178.127 178.127 177.746 0.381 18976 999 1 2 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.390 -0.232 18976 1000 1 2 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.329 0.054 18976 1001 1 2 . 1 1 24 24 LYS H H 24 7.687 7.687 7.806 -0.119 18976 1002 1 2 . 1 1 25 25 ASP N N 25 113.822 113.822 117.076 -3.254 18976 1003 1 2 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.465 0.141 18976 1004 1 2 . 1 1 25 25 ASP C C 25 177.687 177.687 177.259 0.428 18976 1005 1 2 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.847 -1.388 18976 1006 1 2 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.875 -0.684 18976 1007 1 2 . 1 1 25 25 ASP H H 25 8.067 8.067 7.838 0.229 18976 1008 1 2 . 1 1 26 26 GLY N N 26 109.208 109.208 108.998 0.210 18976 1009 1 2 . 1 1 26 26 GLY C C 26 175.132 175.132 175.138 -0.006 18976 1010 1 2 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.120 0.754 18976 1011 1 2 . 1 1 26 26 GLY H H 26 7.698 7.698 7.489 0.209 18976 1012 1 2 . 1 1 27 27 ASP N N 27 120.603 120.603 119.786 0.817 18976 1013 1 2 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.634 -0.111 18976 1014 1 2 . 1 1 27 27 ASP C C 27 177.452 177.452 177.703 -0.251 18976 1015 1 2 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.324 0.169 18976 1016 1 2 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.345 -1.097 18976 1017 1 2 . 1 1 27 27 ASP H H 27 8.397 8.397 8.380 0.017 18976 1018 1 2 . 1 1 28 28 GLY N N 28 113.187 113.187 109.355 3.832 18976 1019 1 2 . 1 1 28 28 GLY C C 28 173.679 173.679 173.506 0.173 18976 1020 1 2 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.329 -0.148 18976 1021 1 2 . 1 1 28 28 GLY H H 28 10.648 10.648 8.375 2.273 18976 1022 1 2 . 1 1 29 29 THR N N 29 112.865 112.865 109.957 2.908 18976 1023 1 2 . 1 1 29 29 THR HA H 29 5.310 5.310 5.091 0.219 18976 1024 1 2 . 1 1 29 29 THR C C 29 172.872 172.872 173.277 -0.405 18976 1025 1 2 . 1 1 29 29 THR CA C 29 59.764 59.764 60.332 -0.568 18976 1026 1 2 . 1 1 29 29 THR CB C 29 72.319 72.319 71.860 0.459 18976 1027 1 2 . 1 1 29 29 THR H H 29 8.144 8.144 8.242 -0.098 18976 1028 1 2 . 1 1 30 30 ILE N N 30 127.035 127.035 126.969 0.066 18976 1029 1 2 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.613 0.367 18976 1030 1 2 . 1 1 30 30 ILE C C 30 176.072 176.072 176.473 -0.401 18976 1031 1 2 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.396 -0.252 18976 1032 1 2 . 1 1 30 30 ILE CB C 30 39.302 39.302 38.414 0.888 18976 1033 1 2 . 1 1 30 30 ILE H H 30 9.821 9.821 8.838 0.983 18976 1034 1 2 . 1 1 31 31 THR N N 31 116.509 116.509 119.045 -2.536 18976 1035 1 2 . 1 1 31 31 THR HA H 31 4.800 4.800 4.680 0.120 18976 1036 1 2 . 1 1 31 31 THR C C 31 176.542 176.542 176.342 0.200 18976 1037 1 2 . 1 1 31 31 THR CA C 31 59.396 59.396 60.443 -1.047 18976 1038 1 2 . 1 1 31 31 THR CB C 31 72.162 72.162 70.333 1.829 18976 1039 1 2 . 1 1 31 31 THR H H 31 8.469 8.469 8.774 -0.305 18976 1040 1 2 . 1 1 32 32 THR N N 32 112.790 112.790 112.843 -0.053 18976 1041 1 2 . 1 1 32 32 THR HA H 32 3.803 3.803 3.893 -0.090 18976 1042 1 2 . 1 1 32 32 THR C C 32 177.188 177.188 176.710 0.478 18976 1043 1 2 . 1 1 32 32 THR CA C 32 66.253 66.253 66.491 -0.238 18976 1044 1 2 . 1 1 32 32 THR CB C 32 67.459 67.459 68.707 -1.248 18976 1045 1 2 . 1 1 32 32 THR H H 32 9.128 9.128 8.873 0.255 18976 1046 1 2 . 1 1 33 33 LYS N N 33 120.844 120.844 121.380 -0.536 18976 1047 1 2 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.047 0.101 18976 1048 1 2 . 1 1 33 33 LYS C C 33 179.880 179.880 178.701 1.179 18976 1049 1 2 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.325 -0.386 18976 1050 1 2 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.320 -0.085 18976 1051 1 2 . 1 1 33 33 LYS H H 33 7.695 7.695 8.248 -0.553 18976 1052 1 2 . 1 1 34 34 GLU N N 34 121.463 121.463 119.626 1.837 18976 1053 1 2 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.044 0.024 18976 1054 1 2 . 1 1 34 34 GLU C C 34 179.140 179.140 179.025 0.115 18976 1055 1 2 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.099 0.040 18976 1056 1 2 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.721 -0.176 18976 1057 1 2 . 1 1 34 34 GLU H H 34 7.687 7.687 7.577 0.110 18976 1058 1 2 . 1 1 35 35 LEU N N 35 120.583 120.583 120.504 0.079 18976 1059 1 2 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.003 0.120 18976 1060 1 2 . 1 1 35 35 LEU C C 35 178.934 178.934 178.734 0.200 18976 1061 1 2 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.821 0.006 18976 1062 1 2 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.742 0.638 18976 1063 1 2 . 1 1 35 35 LEU H H 35 8.745 8.745 8.373 0.372 18976 1064 1 2 . 1 1 36 36 GLY N N 36 128.127 128.127 105.246 22.881 18976 1065 1 2 . 1 1 36 36 GLY C C 36 175.177 175.177 175.971 -0.794 18976 1066 1 2 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.525 0.478 18976 1067 1 2 . 1 1 36 36 GLY H H 36 8.670 8.670 8.083 0.587 18976 1068 1 2 . 1 1 37 37 THR N N 37 117.925 117.925 118.804 -0.879 18976 1069 1 2 . 1 1 37 37 THR HA H 37 3.938 3.938 4.018 -0.080 18976 1070 1 2 . 1 1 37 37 THR C C 37 177.137 177.137 176.773 0.364 18976 1071 1 2 . 1 1 37 37 THR CA C 37 66.648 66.648 66.491 0.157 18976 1072 1 2 . 1 1 37 37 THR CB C 37 68.383 68.383 68.492 -0.109 18976 1073 1 2 . 1 1 37 37 THR H H 37 7.930 7.930 7.421 0.509 18976 1074 1 2 . 1 1 38 38 VAL N N 38 122.046 122.046 121.844 0.202 18976 1075 1 2 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.649 -0.126 18976 1076 1 2 . 1 1 38 38 VAL C C 38 179.243 179.243 177.993 1.250 18976 1077 1 2 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.835 0.127 18976 1078 1 2 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.695 0.375 18976 1079 1 2 . 1 1 38 38 VAL H H 38 7.643 7.643 7.805 -0.162 18976 1080 1 2 . 1 1 39 39 MET N N 39 118.442 118.442 117.381 1.061 18976 1081 1 2 . 1 1 39 39 MET HA H 39 4.133 4.133 4.068 0.065 18976 1082 1 2 . 1 1 39 39 MET C C 39 179.125 179.125 178.348 0.777 18976 1083 1 2 . 1 1 39 39 MET CA C 39 58.886 58.886 57.134 1.752 18976 1084 1 2 . 1 1 39 39 MET CB C 39 31.211 31.211 31.197 0.014 18976 1085 1 2 . 1 1 39 39 MET H H 39 8.497 8.497 7.887 0.610 18976 1086 1 2 . 1 1 40 40 ARG N N 40 118.929 118.929 119.750 -0.821 18976 1087 1 2 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.125 0.708 18976 1088 1 2 . 1 1 40 40 ARG C C 40 181.224 181.224 178.949 2.275 18976 1089 1 2 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.657 -0.771 18976 1090 1 2 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.097 -1.262 18976 1091 1 2 . 1 1 40 40 ARG H H 40 8.536 8.536 8.030 0.506 18976 1092 1 2 . 1 1 41 41 SER N N 41 118.832 118.832 115.700 3.132 18976 1093 1 2 . 1 1 41 41 SER HA H 41 4.425 4.425 4.263 0.162 18976 1094 1 2 . 1 1 41 41 SER C C 41 174.839 174.839 175.374 -0.535 18976 1095 1 2 . 1 1 41 41 SER CA C 41 61.249 61.249 60.655 0.594 18976 1096 1 2 . 1 1 41 41 SER CB C 41 62.464 62.464 62.988 -0.524 18976 1097 1 2 . 1 1 41 41 SER H H 41 7.925 7.925 7.446 0.479 18976 1098 1 2 . 1 1 42 42 LEU N N 42 120.676 120.676 120.194 0.482 18976 1099 1 2 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.382 0.135 18976 1100 1 2 . 1 1 42 42 LEU C C 42 177.540 177.540 177.389 0.151 18976 1101 1 2 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.671 -0.439 18976 1102 1 2 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.397 0.273 18976 1103 1 2 . 1 1 42 42 LEU H H 42 7.395 7.395 7.496 -0.101 18976 1104 1 2 . 1 1 43 43 GLY N N 43 106.840 106.840 108.006 -1.166 18976 1105 1 2 . 1 1 43 43 GLY C C 43 174.384 174.384 174.106 0.278 18976 1106 1 2 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.172 0.136 18976 1107 1 2 . 1 1 43 43 GLY H H 43 7.885 7.885 7.501 0.384 18976 1108 1 2 . 1 1 44 44 GLN N N 44 118.414 118.414 122.243 -3.829 18976 1109 1 2 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.408 0.094 18976 1110 1 2 . 1 1 44 44 GLN C C 44 174.134 174.134 174.580 -0.446 18976 1111 1 2 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.057 0.127 18976 1112 1 2 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.236 1.038 18976 1113 1 2 . 1 1 44 44 GLN H H 44 7.805 7.805 7.590 0.215 18976 1114 1 2 . 1 1 45 45 ASN N N 45 116.265 116.265 125.777 -9.512 18976 1115 1 2 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.757 0.444 18976 1116 1 2 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.818 -0.861 18976 1117 1 2 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.595 0.314 18976 1118 1 2 . 1 1 45 45 ASN H H 45 8.733 8.733 8.436 0.297 18976 1119 1 2 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.670 0.117 18976 1120 1 2 . 1 1 46 46 PRO C C 46 177.745 177.745 175.692 2.053 18976 1121 1 2 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.169 -0.064 18976 1122 1 2 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.973 -1.270 18976 1123 1 2 . 1 1 47 47 THR N N 47 112.958 112.958 113.049 -0.091 18976 1124 1 2 . 1 1 47 47 THR HA H 47 4.451 4.451 4.600 -0.149 18976 1125 1 2 . 1 1 47 47 THR C C 47 175.159 175.159 175.848 -0.689 18976 1126 1 2 . 1 1 47 47 THR CA C 47 60.078 60.078 58.967 1.111 18976 1127 1 2 . 1 1 47 47 THR CB C 47 71.001 71.001 70.858 0.143 18976 1128 1 2 . 1 1 47 47 THR H H 47 8.767 8.767 7.853 0.914 18976 1129 1 2 . 1 1 48 48 GLU N N 48 120.607 120.607 123.539 -2.932 18976 1130 1 2 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.987 0.019 18976 1131 1 2 . 1 1 48 48 GLU C C 48 178.949 178.949 178.016 0.933 18976 1132 1 2 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.249 0.492 18976 1133 1 2 . 1 1 48 48 GLU CB C 48 28.692 28.692 28.815 -0.123 18976 1134 1 2 . 1 1 48 48 GLU H H 48 8.824 8.824 8.871 -0.047 18976 1135 1 2 . 1 1 49 49 ALA N N 49 120.678 120.678 121.608 -0.930 18976 1136 1 2 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.068 0.051 18976 1137 1 2 . 1 1 49 49 ALA C C 49 180.226 180.226 179.929 0.297 18976 1138 1 2 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.772 -0.056 18976 1139 1 2 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.177 -0.304 18976 1140 1 2 . 1 1 49 49 ALA H H 49 8.279 8.279 8.025 0.254 18976 1141 1 2 . 1 1 50 50 GLU N N 50 118.703 118.703 118.795 -0.092 18976 1142 1 2 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.086 -0.034 18976 1143 1 2 . 1 1 50 50 GLU C C 50 180.182 180.182 179.215 0.967 18976 1144 1 2 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.994 -0.137 18976 1145 1 2 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.210 0.157 18976 1146 1 2 . 1 1 50 50 GLU H H 50 7.712 7.712 7.716 -0.004 18976 1147 1 2 . 1 1 51 51 LEU N N 51 120.420 120.420 119.097 1.323 18976 1148 1 2 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.194 -0.100 18976 1149 1 2 . 1 1 51 51 LEU C C 51 178.494 178.494 179.551 -1.057 18976 1150 1 2 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.842 0.837 18976 1151 1 2 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.418 1.638 18976 1152 1 2 . 1 1 51 51 LEU H H 51 8.192 8.192 7.510 0.682 18976 1153 1 2 . 1 1 52 52 GLN N N 52 118.200 118.200 119.502 -1.302 18976 1154 1 2 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.011 -0.173 18976 1155 1 2 . 1 1 52 52 GLN C C 52 178.518 178.518 178.096 0.422 18976 1156 1 2 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.769 -0.572 18976 1157 1 2 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.007 -0.103 18976 1158 1 2 . 1 1 52 52 GLN H H 52 8.212 8.212 7.889 0.323 18976 1159 1 2 . 1 1 53 53 ASP N N 53 119.922 119.922 119.851 0.071 18976 1160 1 2 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.436 -0.006 18976 1161 1 2 . 1 1 53 53 ASP C C 53 178.635 178.635 178.318 0.317 18976 1162 1 2 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.190 0.072 18976 1163 1 2 . 1 1 53 53 ASP CB C 53 39.962 39.962 41.087 -1.125 18976 1164 1 2 . 1 1 53 53 ASP H H 53 8.108 8.108 7.806 0.302 18976 1165 1 2 . 1 1 54 54 MET N N 54 119.290 119.290 118.370 0.920 18976 1166 1 2 . 1 1 54 54 MET HA H 54 4.044 4.044 4.180 -0.136 18976 1167 1 2 . 1 1 54 54 MET C C 54 178.876 178.876 179.060 -0.184 18976 1168 1 2 . 1 1 54 54 MET CA C 54 59.108 59.108 58.843 0.265 18976 1169 1 2 . 1 1 54 54 MET CB C 54 32.930 32.930 32.704 0.226 18976 1170 1 2 . 1 1 54 54 MET H H 54 7.865 7.865 7.676 0.189 18976 1171 1 2 . 1 1 55 55 ILE N N 55 118.056 118.056 121.213 -3.157 18976 1172 1 2 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.630 -0.115 18976 1173 1 2 . 1 1 55 55 ILE C C 55 177.760 177.760 177.373 0.387 18976 1174 1 2 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.171 -0.691 18976 1175 1 2 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.911 -0.931 18976 1176 1 2 . 1 1 55 55 ILE H H 55 7.710 7.710 7.922 -0.212 18976 1177 1 2 . 1 1 56 56 ASN N N 56 117.688 117.688 117.944 -0.256 18976 1178 1 2 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.459 -0.067 18976 1179 1 2 . 1 1 56 56 ASN C C 56 177.393 177.393 177.354 0.039 18976 1180 1 2 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.654 -0.068 18976 1181 1 2 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.842 -0.187 18976 1182 1 2 . 1 1 56 56 ASN H H 56 8.606 8.606 8.070 0.536 18976 1183 1 2 . 1 1 57 57 GLU N N 57 116.316 116.316 117.927 -1.611 18976 1184 1 2 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.173 -0.130 18976 1185 1 2 . 1 1 57 57 GLU C C 57 177.569 177.569 177.830 -0.261 18976 1186 1 2 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.314 0.318 18976 1187 1 2 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.736 0.363 18976 1188 1 2 . 1 1 57 57 GLU H H 57 7.580 7.580 7.863 -0.283 18976 1189 1 2 . 1 1 58 58 VAL N N 58 108.390 108.390 111.569 -3.179 18976 1190 1 2 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.180 0.302 18976 1191 1 2 . 1 1 58 58 VAL C C 58 175.749 175.749 175.643 0.106 18976 1192 1 2 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.302 -1.885 18976 1193 1 2 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.949 -0.583 18976 1194 1 2 . 1 1 58 58 VAL H H 58 7.219 7.219 7.430 -0.211 18976 1195 1 2 . 1 1 59 59 ASP N N 59 121.728 121.728 120.339 1.389 18976 1196 1 2 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.769 -0.127 18976 1197 1 2 . 1 1 59 59 ASP C C 59 176.219 176.219 175.572 0.647 18976 1198 1 2 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.519 -1.051 18976 1199 1 2 . 1 1 59 59 ASP CB C 59 39.865 39.865 42.249 -2.384 18976 1200 1 2 . 1 1 59 59 ASP H H 59 7.674 7.674 7.814 -0.140 18976 1201 1 2 . 1 1 60 60 ALA N N 60 109.214 109.214 129.291 -20.077 18976 1202 1 2 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.171 0.045 18976 1203 1 2 . 1 1 60 60 ALA C C 60 178.626 178.626 178.616 0.010 18976 1204 1 2 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.716 0.269 18976 1205 1 2 . 1 1 60 60 ALA CB C 60 19.146 19.146 20.108 -0.962 18976 1206 1 2 . 1 1 60 60 ALA H H 60 8.481 8.481 8.547 -0.066 18976 1207 1 2 . 1 1 61 61 ASP N N 61 113.667 113.667 116.585 -2.918 18976 1208 1 2 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.453 0.170 18976 1209 1 2 . 1 1 61 61 ASP C C 61 177.848 177.848 177.964 -0.116 18976 1210 1 2 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.285 -1.874 18976 1211 1 2 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.800 -1.249 18976 1212 1 2 . 1 1 61 61 ASP H H 61 8.158 8.158 8.015 0.143 18976 1213 1 2 . 1 1 62 62 GLY N N 62 108.314 108.314 108.592 -0.278 18976 1214 1 2 . 1 1 62 62 GLY C C 62 174.933 174.933 175.487 -0.554 18976 1215 1 2 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.898 1.044 18976 1216 1 2 . 1 1 62 62 GLY H H 62 7.585 7.585 8.271 -0.686 18976 1217 1 2 . 1 1 63 63 ASN N N 63 118.384 118.384 119.351 -0.967 18976 1218 1 2 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.674 -0.017 18976 1219 1 2 . 1 1 63 63 ASN C C 63 176.835 176.835 176.724 0.111 18976 1220 1 2 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.896 -0.673 18976 1221 1 2 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.204 -1.838 18976 1222 1 2 . 1 1 63 63 ASN H H 63 8.086 8.086 8.555 -0.469 18976 1223 1 2 . 1 1 64 64 GLY N N 64 113.412 113.412 109.741 3.671 18976 1224 1 2 . 1 1 64 64 GLY C C 64 173.254 173.254 173.473 -0.219 18976 1225 1 2 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.217 0.180 18976 1226 1 2 . 1 1 64 64 GLY H H 64 10.618 10.618 8.348 2.270 18976 1227 1 2 . 1 1 65 65 THR N N 65 108.877 108.877 113.888 -5.011 18976 1228 1 2 . 1 1 65 65 THR HA H 65 4.766 4.766 4.676 0.090 18976 1229 1 2 . 1 1 65 65 THR C C 65 173.195 173.195 173.382 -0.187 18976 1230 1 2 . 1 1 65 65 THR CA C 65 59.301 59.301 61.298 -1.997 18976 1231 1 2 . 1 1 65 65 THR CB C 65 71.695 71.695 72.671 -0.976 18976 1232 1 2 . 1 1 65 65 THR H H 65 7.684 7.684 8.228 -0.544 18976 1233 1 2 . 1 1 66 66 ILE N N 66 123.673 123.673 123.956 -0.283 18976 1234 1 2 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.384 0.806 18976 1235 1 2 . 1 1 66 66 ILE C C 66 175.529 175.529 174.936 0.593 18976 1236 1 2 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.279 -1.595 18976 1237 1 2 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.258 0.159 18976 1238 1 2 . 1 1 66 66 ILE H H 66 8.912 8.912 8.429 0.483 18976 1239 1 2 . 1 1 67 67 ASP N N 67 128.135 128.135 126.953 1.182 18976 1240 1 2 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.176 0.208 18976 1241 1 2 . 1 1 67 67 ASP C C 67 176.322 176.322 176.667 -0.345 18976 1242 1 2 . 1 1 67 67 ASP CA C 67 51.843 51.843 51.825 0.018 18976 1243 1 2 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.829 -2.042 18976 1244 1 2 . 1 1 67 67 ASP H H 67 8.824 8.824 8.463 0.361 18976 1245 1 2 . 1 1 68 68 PHE N N 68 118.627 118.627 123.493 -4.866 18976 1246 1 2 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.391 0.633 18976 1247 1 2 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.462 0.707 18976 1248 1 2 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.718 -1.117 18976 1249 1 2 . 1 1 68 68 PHE H H 68 8.943 8.943 9.095 -0.152 18976 1250 1 2 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.942 -0.066 18976 1251 1 2 . 1 1 69 69 PRO C C 69 180.037 180.037 178.857 1.180 18976 1252 1 2 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.841 0.551 18976 1253 1 2 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.012 -0.637 18976 1254 1 2 . 1 1 70 70 GLU N N 70 117.615 117.615 118.462 -0.847 18976 1255 1 2 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.123 -0.015 18976 1256 1 2 . 1 1 70 70 GLU C C 70 178.773 178.773 178.896 -0.123 18976 1257 1 2 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.577 -0.011 18976 1258 1 2 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.020 0.006 18976 1259 1 2 . 1 1 70 70 GLU H H 70 7.969 7.969 7.726 0.243 18976 1260 1 2 . 1 1 71 71 PHE N N 71 123.460 123.460 122.686 0.774 18976 1261 1 2 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.265 -0.291 18976 1262 1 2 . 1 1 71 71 PHE C C 71 177.041 177.041 176.194 0.847 18976 1263 1 2 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.191 -0.164 18976 1264 1 2 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.434 0.273 18976 1265 1 2 . 1 1 71 71 PHE H H 71 8.861 8.861 8.293 0.568 18976 1266 1 2 . 1 1 72 72 LEU N N 72 118.749 118.749 117.217 1.532 18976 1267 1 2 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.375 -0.007 18976 1268 1 2 . 1 1 72 72 LEU C C 72 178.949 178.949 179.260 -0.311 18976 1269 1 2 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.465 0.131 18976 1270 1 2 . 1 1 72 72 LEU CB C 72 40.742 40.742 39.898 0.844 18976 1271 1 2 . 1 1 72 72 LEU H H 72 8.411 8.411 7.826 0.585 18976 1272 1 2 . 1 1 73 73 THR N N 73 115.213 115.213 115.138 0.075 18976 1273 1 2 . 1 1 73 73 THR HA H 73 3.753 3.753 3.914 -0.161 18976 1274 1 2 . 1 1 73 73 THR C C 73 175.955 175.955 176.163 -0.208 18976 1275 1 2 . 1 1 73 73 THR CA C 73 66.313 66.313 66.093 0.220 18976 1276 1 2 . 1 1 73 73 THR CB C 73 68.075 68.075 68.710 -0.635 18976 1277 1 2 . 1 1 73 73 THR H H 73 7.522 7.522 7.171 0.351 18976 1278 1 2 . 1 1 74 74 MET N N 74 121.455 121.455 121.972 -0.517 18976 1279 1 2 . 1 1 74 74 MET HA H 74 3.773 3.773 3.999 -0.226 18976 1280 1 2 . 1 1 74 74 MET C C 74 178.098 178.098 177.630 0.468 18976 1281 1 2 . 1 1 74 74 MET CA C 74 58.603 58.603 59.081 -0.478 18976 1282 1 2 . 1 1 74 74 MET CB C 74 32.905 32.905 32.714 0.191 18976 1283 1 2 . 1 1 74 74 MET H H 74 7.783 7.783 7.541 0.242 18976 1284 1 2 . 1 1 75 75 MET N N 75 116.557 116.557 118.077 -1.520 18976 1285 1 2 . 1 1 75 75 MET HA H 75 3.998 3.998 3.888 0.110 18976 1286 1 2 . 1 1 75 75 MET C C 75 178.700 178.700 177.821 0.879 18976 1287 1 2 . 1 1 75 75 MET CA C 75 55.472 55.472 57.414 -1.942 18976 1288 1 2 . 1 1 75 75 MET CB C 75 30.693 30.693 31.553 -0.860 18976 1289 1 2 . 1 1 75 75 MET H H 75 8.077 8.077 8.076 0.001 18976 1290 1 2 . 1 1 76 76 ALA N N 76 122.410 122.410 120.065 2.345 18976 1291 1 2 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.003 0.086 18976 1292 1 2 . 1 1 76 76 ALA C C 76 179.683 179.683 179.115 0.568 18976 1293 1 2 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.008 0.368 18976 1294 1 2 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.090 -0.311 18976 1295 1 2 . 1 1 76 76 ALA H H 76 8.303 8.303 7.284 1.019 18976 1296 1 2 . 1 1 77 77 ARG N N 77 116.451 116.451 118.865 -2.414 18976 1297 1 2 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.076 0.026 18976 1298 1 2 . 1 1 77 77 ARG C C 77 177.701 177.701 177.620 0.081 18976 1299 1 2 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.652 -0.610 18976 1300 1 2 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.236 -0.228 18976 1301 1 2 . 1 1 77 77 ARG H H 77 7.622 7.622 7.655 -0.033 18976 1302 1 2 . 1 1 78 78 LYS N N 78 118.021 118.021 118.055 -0.034 18976 1303 1 2 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.469 -0.230 18976 1304 1 2 . 1 1 78 78 LYS C C 78 177.525 177.525 177.491 0.034 18976 1305 1 2 . 1 1 78 78 LYS CA C 78 56.721 56.721 56.769 -0.048 18976 1306 1 2 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.514 -0.301 18976 1307 1 2 . 1 1 78 78 LYS H H 78 7.577 7.577 7.329 0.248 18976 1308 1 2 . 1 1 79 79 MET N N 79 118.929 118.929 118.027 0.902 18976 1309 1 2 . 1 1 79 79 MET HA H 79 4.351 4.351 4.456 -0.105 18976 1310 1 2 . 1 1 79 79 MET C C 79 176.322 176.322 177.431 -1.109 18976 1311 1 2 . 1 1 79 79 MET CA C 79 56.345 56.345 54.899 1.446 18976 1312 1 2 . 1 1 79 79 MET CB C 79 32.946 32.946 31.349 1.597 18976 1313 1 2 . 1 1 79 79 MET H H 79 7.772 7.772 7.322 0.450 18976 1314 1 2 . 1 1 80 80 LYS N N 80 120.686 120.686 120.219 0.467 18976 1315 1 2 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.110 0.217 18976 1316 1 2 . 1 1 80 80 LYS C C 80 176.395 176.395 177.677 -1.282 18976 1317 1 2 . 1 1 80 80 LYS CA C 80 56.144 56.144 58.100 -1.956 18976 1318 1 2 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.922 0.885 18976 1319 1 2 . 1 1 80 80 LYS H H 80 7.955 7.955 7.808 0.147 18976 1320 1 2 . 1 1 81 81 ASP N N 81 121.721 121.721 117.596 4.125 18976 1321 1 2 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.444 0.245 18976 1322 1 2 . 1 1 81 81 ASP C C 81 176.644 176.644 178.131 -1.487 18976 1323 1 2 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.059 -2.773 18976 1324 1 2 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.866 -0.073 18976 1325 1 2 . 1 1 81 81 ASP H H 81 8.341 8.341 7.635 0.706 18976 1326 1 2 . 1 1 82 82 THR N N 82 114.594 114.594 110.669 3.925 18976 1327 1 2 . 1 1 82 82 THR HA H 82 4.323 4.323 4.245 0.078 18976 1328 1 2 . 1 1 82 82 THR C C 82 174.584 174.584 176.075 -1.491 18976 1329 1 2 . 1 1 82 82 THR CA C 82 61.955 61.955 64.258 -2.303 18976 1330 1 2 . 1 1 82 82 THR CB C 82 69.586 69.586 68.857 0.729 18976 1331 1 2 . 1 1 82 82 THR H H 82 8.123 8.123 7.978 0.145 18976 1332 1 2 . 1 1 83 83 ASP N N 83 123.126 123.126 122.045 1.081 18976 1333 1 2 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.433 0.266 18976 1334 1 2 . 1 1 83 83 ASP C C 83 176.674 176.674 177.773 -1.099 18976 1335 1 2 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.793 -2.302 18976 1336 1 2 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.554 0.486 18976 1337 1 2 . 1 1 83 83 ASP H H 83 8.439 8.439 7.800 0.639 18976 1338 1 2 . 1 1 84 84 SER N N 84 116.982 116.982 115.312 1.670 18976 1339 1 2 . 1 1 84 84 SER HA H 84 4.458 4.458 4.077 0.381 18976 1340 1 2 . 1 1 84 84 SER C C 84 175.393 175.393 176.251 -0.858 18976 1341 1 2 . 1 1 84 84 SER CA C 84 58.943 58.943 61.938 -2.995 18976 1342 1 2 . 1 1 84 84 SER CB C 84 63.550 63.550 62.922 0.628 18976 1343 1 2 . 1 1 84 84 SER H H 84 8.418 8.418 7.933 0.485 18976 1344 1 2 . 1 1 85 85 GLU N N 85 122.632 122.632 120.085 2.547 18976 1345 1 2 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.009 0.202 18976 1346 1 2 . 1 1 85 85 GLU C C 85 177.716 177.716 178.737 -1.021 18976 1347 1 2 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.312 -0.773 18976 1348 1 2 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.902 0.325 18976 1349 1 2 . 1 1 85 85 GLU H H 85 8.504 8.504 7.911 0.593 18976 1350 1 2 . 1 1 86 86 GLU N N 86 119.077 119.077 120.351 -1.274 18976 1351 1 2 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.118 -0.057 18976 1352 1 2 . 1 1 86 86 GLU C C 86 178.885 178.885 178.746 0.139 18976 1353 1 2 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.602 0.763 18976 1354 1 2 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.403 -0.338 18976 1355 1 2 . 1 1 86 86 GLU H H 86 8.333 8.333 7.841 0.492 18976 1356 1 2 . 1 1 87 87 GLU N N 87 119.138 119.138 120.867 -1.729 18976 1357 1 2 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.087 0.059 18976 1358 1 2 . 1 1 87 87 GLU C C 87 179.823 179.823 179.118 0.705 18976 1359 1 2 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.331 -0.421 18976 1360 1 2 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.651 -0.385 18976 1361 1 2 . 1 1 87 87 GLU H H 87 8.130 8.130 7.743 0.387 18976 1362 1 2 . 1 1 88 88 LEU N N 88 122.103 122.103 119.053 3.050 18976 1363 1 2 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.198 0.193 18976 1364 1 2 . 1 1 88 88 LEU C C 88 178.905 178.905 179.422 -0.517 18976 1365 1 2 . 1 1 88 88 LEU CA C 88 57.716 57.716 58.062 -0.346 18976 1366 1 2 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.873 -0.012 18976 1367 1 2 . 1 1 88 88 LEU H H 88 8.152 8.152 8.188 -0.036 18976 1368 1 2 . 1 1 89 89 ARG N N 89 120.092 120.092 118.737 1.355 18976 1369 1 2 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.126 -0.076 18976 1370 1 2 . 1 1 89 89 ARG C C 89 179.507 179.507 178.970 0.537 18976 1371 1 2 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.819 -0.409 18976 1372 1 2 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.891 -0.431 18976 1373 1 2 . 1 1 89 89 ARG H H 89 8.499 8.499 8.222 0.277 18976 1374 1 2 . 1 1 90 90 GLU N N 90 119.315 119.315 119.468 -0.153 18976 1375 1 2 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.169 -0.002 18976 1376 1 2 . 1 1 90 90 GLU C C 90 178.068 178.068 177.997 0.071 18976 1377 1 2 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.920 -0.330 18976 1378 1 2 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.832 -0.903 18976 1379 1 2 . 1 1 90 90 GLU H H 90 8.040 8.040 7.810 0.230 18976 1380 1 2 . 1 1 91 91 ALA N N 91 121.794 121.794 122.471 -0.677 18976 1381 1 2 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.182 0.029 18976 1382 1 2 . 1 1 91 91 ALA C C 91 179.855 179.855 179.586 0.269 18976 1383 1 2 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.926 -0.200 18976 1384 1 2 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.260 -0.690 18976 1385 1 2 . 1 1 91 91 ALA H H 91 7.996 7.996 8.053 -0.057 18976 1386 1 2 . 1 1 92 92 PHE N N 92 119.368 119.368 119.045 0.323 18976 1387 1 2 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.426 -0.296 18976 1388 1 2 . 1 1 92 92 PHE C C 92 176.454 176.454 177.028 -0.574 18976 1389 1 2 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.593 -0.361 18976 1390 1 2 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.800 0.127 18976 1391 1 2 . 1 1 92 92 PHE H H 92 8.360 8.360 8.236 0.124 18976 1392 1 2 . 1 1 93 93 ARG N N 93 117.178 117.178 118.617 -1.439 18976 1393 1 2 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.917 -0.052 18976 1394 1 2 . 1 1 93 93 ARG C C 93 178.421 178.421 178.044 0.377 18976 1395 1 2 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.309 -0.468 18976 1396 1 2 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.167 -0.261 18976 1397 1 2 . 1 1 93 93 ARG H H 93 7.895 7.895 7.530 0.365 18976 1398 1 2 . 1 1 94 94 VAL N N 94 115.719 115.719 117.986 -2.267 18976 1399 1 2 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.587 0.013 18976 1400 1 2 . 1 1 94 94 VAL C C 94 177.334 177.334 178.035 -0.701 18976 1401 1 2 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.672 -0.640 18976 1402 1 2 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.747 -0.203 18976 1403 1 2 . 1 1 94 94 VAL H H 94 7.541 7.541 8.078 -0.537 18976 1404 1 2 . 1 1 95 95 GLU N N 95 117.921 117.921 116.344 1.577 18976 1405 1 2 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.088 -0.080 18976 1406 1 2 . 1 1 95 95 GLU C C 95 176.953 176.953 176.699 0.254 18976 1407 1 2 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.975 0.281 18976 1408 1 2 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.022 -1.335 18976 1409 1 2 . 1 1 95 95 GLU H H 95 7.011 7.011 7.593 -0.582 18976 1410 1 2 . 1 1 96 96 ASP N N 96 117.365 117.365 119.106 -1.741 18976 1411 1 2 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.953 -0.503 18976 1412 1 2 . 1 1 96 96 ASP C C 96 177.202 177.202 176.381 0.821 18976 1413 1 2 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.094 -0.621 18976 1414 1 2 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.032 -1.958 18976 1415 1 2 . 1 1 96 96 ASP H H 96 7.626 7.626 7.673 -0.047 18976 1416 1 2 . 1 1 97 97 LYS N N 97 124.733 124.733 122.908 1.825 18976 1417 1 2 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.005 -0.104 18976 1418 1 2 . 1 1 97 97 LYS C C 97 178.333 178.333 177.643 0.690 18976 1419 1 2 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.107 0.498 18976 1420 1 2 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.282 0.148 18976 1421 1 2 . 1 1 97 97 LYS H H 97 7.357 7.357 7.903 -0.546 18976 1422 1 2 . 1 1 98 98 ASP N N 98 114.048 114.048 114.883 -0.835 18976 1423 1 2 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.489 0.079 18976 1424 1 2 . 1 1 98 98 ASP C C 98 177.775 177.775 177.380 0.395 18976 1425 1 2 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.106 -1.450 18976 1426 1 2 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.299 -0.706 18976 1427 1 2 . 1 1 98 98 ASP H H 98 8.352 8.352 8.078 0.274 18976 1428 1 2 . 1 1 99 99 GLY N N 99 109.454 109.454 110.029 -0.575 18976 1429 1 2 . 1 1 99 99 GLY C C 99 175.082 175.082 174.878 0.204 18976 1430 1 2 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.779 1.048 18976 1431 1 2 . 1 1 99 99 GLY H H 99 7.828 7.828 8.068 -0.240 18976 1432 1 2 . 1 1 100 100 ASN N N 100 119.607 119.607 119.099 0.508 18976 1433 1 2 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.790 -0.155 18976 1434 1 2 . 1 1 100 100 ASN C C 100 175.969 175.969 176.544 -0.575 18976 1435 1 2 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.657 -0.174 18976 1436 1 2 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.642 -1.761 18976 1437 1 2 . 1 1 100 100 ASN H H 100 8.334 8.334 8.382 -0.048 18976 1438 1 2 . 1 1 101 101 GLY N N 101 113.007 113.007 108.200 4.807 18976 1439 1 2 . 1 1 101 101 GLY C C 101 172.314 172.314 172.912 -0.598 18976 1440 1 2 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.261 -0.579 18976 1441 1 2 . 1 1 101 101 GLY H H 101 10.640 10.640 8.054 2.586 18976 1442 1 2 . 1 1 102 102 TYR N N 102 115.913 115.913 117.583 -1.670 18976 1443 1 2 . 1 1 102 102 TYR HA H 102 5.186 5.186 4.817 0.369 18976 1444 1 2 . 1 1 102 102 TYR C C 102 174.736 174.736 174.316 0.420 18976 1445 1 2 . 1 1 102 102 TYR CA C 102 55.662 55.662 57.183 -1.521 18976 1446 1 2 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.822 0.980 18976 1447 1 2 . 1 1 102 102 TYR H H 102 7.610 7.610 8.454 -0.844 18976 1448 1 2 . 1 1 103 103 ILE N N 103 127.698 127.698 123.466 4.232 18976 1449 1 2 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.579 0.237 18976 1450 1 2 . 1 1 103 103 ILE C C 103 175.634 175.634 175.703 -0.069 18976 1451 1 2 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.768 0.670 18976 1452 1 2 . 1 1 103 103 ILE CB C 103 38.919 38.919 40.022 -1.103 18976 1453 1 2 . 1 1 103 103 ILE H H 103 10.228 10.228 8.361 1.867 18976 1454 1 2 . 1 1 104 104 SER N N 104 123.581 123.581 121.648 1.933 18976 1455 1 2 . 1 1 104 104 SER HA H 104 4.849 4.849 5.078 -0.229 18976 1456 1 2 . 1 1 104 104 SER C C 104 175.191 175.191 175.353 -0.162 18976 1457 1 2 . 1 1 104 104 SER CA C 104 55.499 55.499 55.087 0.412 18976 1458 1 2 . 1 1 104 104 SER CB C 104 66.371 66.371 65.116 1.255 18976 1459 1 2 . 1 1 104 104 SER H H 104 8.947 8.947 8.539 0.408 18976 1460 1 2 . 1 1 105 105 ALA N N 105 122.829 122.829 124.792 -1.963 18976 1461 1 2 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.040 -0.111 18976 1462 1 2 . 1 1 105 105 ALA C C 105 179.272 179.272 178.794 0.478 18976 1463 1 2 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.344 0.315 18976 1464 1 2 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.576 -0.892 18976 1465 1 2 . 1 1 105 105 ALA H H 105 9.251 9.251 9.125 0.126 18976 1466 1 2 . 1 1 106 106 ALA N N 106 118.442 118.442 120.910 -2.468 18976 1467 1 2 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.925 0.112 18976 1468 1 2 . 1 1 106 106 ALA C C 106 181.180 181.180 179.203 1.977 18976 1469 1 2 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.996 -0.155 18976 1470 1 2 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.326 -0.283 18976 1471 1 2 . 1 1 106 106 ALA H H 106 8.209 8.209 7.558 0.651 18976 1472 1 2 . 1 1 107 107 GLU N N 107 118.406 118.406 118.476 -0.070 18976 1473 1 2 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.974 0.018 18976 1474 1 2 . 1 1 107 107 GLU C C 107 179.272 179.272 179.094 0.178 18976 1475 1 2 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.207 -0.066 18976 1476 1 2 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.193 -0.437 18976 1477 1 2 . 1 1 107 107 GLU H H 107 7.752 7.752 7.881 -0.129 18976 1478 1 2 . 1 1 108 108 LEU N N 108 122.413 122.413 119.388 3.025 18976 1479 1 2 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.948 0.124 18976 1480 1 2 . 1 1 108 108 LEU C C 108 178.553 178.553 178.857 -0.304 18976 1481 1 2 . 1 1 108 108 LEU CA C 108 57.292 57.292 58.085 -0.793 18976 1482 1 2 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.614 -0.171 18976 1483 1 2 . 1 1 108 108 LEU H H 108 8.793 8.793 7.888 0.905 18976 1484 1 2 . 1 1 109 109 ARG N N 109 118.074 118.074 119.023 -0.949 18976 1485 1 2 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.956 -0.099 18976 1486 1 2 . 1 1 109 109 ARG C C 109 179.140 179.140 178.820 0.320 18976 1487 1 2 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.360 0.426 18976 1488 1 2 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.148 -0.324 18976 1489 1 2 . 1 1 109 109 ARG H H 109 8.421 8.421 7.729 0.692 18976 1490 1 2 . 1 1 110 110 ILE N N 110 120.191 120.191 119.001 1.190 18976 1491 1 2 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.852 -0.065 18976 1492 1 2 . 1 1 110 110 ILE C C 110 177.804 177.804 177.826 -0.022 18976 1493 1 2 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.174 0.379 18976 1494 1 2 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.280 -0.222 18976 1495 1 2 . 1 1 110 110 ILE H H 110 7.401 7.401 7.539 -0.138 18976 1496 1 2 . 1 1 111 111 VAL N N 111 120.330 120.330 120.363 -0.033 18976 1497 1 2 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.661 0.102 18976 1498 1 2 . 1 1 111 111 VAL C C 111 178.802 178.802 177.371 1.431 18976 1499 1 2 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.895 -0.205 18976 1500 1 2 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.274 -0.682 18976 1501 1 2 . 1 1 111 111 VAL H H 111 7.907 7.907 7.638 0.269 18976 1502 1 2 . 1 1 112 112 MET N N 112 116.794 116.794 117.149 -0.355 18976 1503 1 2 . 1 1 112 112 MET HA H 112 4.396 4.396 4.137 0.259 18976 1504 1 2 . 1 1 112 112 MET C C 112 178.890 178.890 178.477 0.413 18976 1505 1 2 . 1 1 112 112 MET CA C 112 56.719 56.719 56.784 -0.065 18976 1506 1 2 . 1 1 112 112 MET CB C 112 30.384 30.384 30.802 -0.418 18976 1507 1 2 . 1 1 112 112 MET H H 112 8.355 8.355 8.224 0.131 18976 1508 1 2 . 1 1 113 113 THR N N 113 117.282 117.282 114.984 2.298 18976 1509 1 2 . 1 1 113 113 THR HA H 113 4.187 4.187 3.934 0.253 18976 1510 1 2 . 1 1 113 113 THR C C 113 178.112 178.112 175.892 2.220 18976 1511 1 2 . 1 1 113 113 THR CA C 113 65.902 65.902 66.448 -0.546 18976 1512 1 2 . 1 1 113 113 THR CB C 113 68.642 68.642 68.651 -0.009 18976 1513 1 2 . 1 1 113 113 THR H H 113 8.314 8.314 7.774 0.540 18976 1514 1 2 . 1 1 114 114 ASN N N 114 122.220 122.220 117.708 4.512 18976 1515 1 2 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.655 -0.063 18976 1516 1 2 . 1 1 114 114 ASN C C 114 176.644 176.644 176.859 -0.215 18976 1517 1 2 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.696 0.459 18976 1518 1 2 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.053 -0.457 18976 1519 1 2 . 1 1 114 114 ASN H H 114 8.483 8.483 7.730 0.753 18976 1520 1 2 . 1 1 115 115 ARG N N 115 117.970 117.970 119.097 -1.127 18976 1521 1 2 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.315 0.114 18976 1522 1 2 . 1 1 115 115 ARG C C 115 176.366 176.366 177.088 -0.722 18976 1523 1 2 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.722 -0.323 18976 1524 1 2 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.320 0.180 18976 1525 1 2 . 1 1 115 115 ARG H H 115 7.776 7.776 8.171 -0.395 18976 1526 1 2 . 1 1 116 116 GLY N N 116 107.547 107.547 106.702 0.845 18976 1527 1 2 . 1 1 116 116 GLY C C 116 174.384 174.384 175.239 -0.855 18976 1528 1 2 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.742 -0.535 18976 1529 1 2 . 1 1 116 116 GLY H H 116 7.968 7.968 7.625 0.343 18976 1530 1 2 . 1 1 117 117 GLU N N 117 119.975 119.975 121.454 -1.479 18976 1531 1 2 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.380 0.026 18976 1532 1 2 . 1 1 117 117 GLU C C 117 175.558 175.558 176.068 -0.510 18976 1533 1 2 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.608 0.569 18976 1534 1 2 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.708 1.692 18976 1535 1 2 . 1 1 117 117 GLU H H 117 7.934 7.934 8.160 -0.226 18976 1536 1 2 . 1 1 118 118 LYS N N 118 124.035 124.035 119.209 4.826 18976 1537 1 2 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.128 0.276 18976 1538 1 2 . 1 1 118 118 LYS C C 118 175.441 175.441 175.788 -0.347 18976 1539 1 2 . 1 1 118 118 LYS CA C 118 55.267 55.267 57.413 -2.146 18976 1540 1 2 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.296 -0.446 18976 1541 1 2 . 1 1 118 118 LYS H H 118 8.626 8.626 7.325 1.301 18976 1542 1 2 . 1 1 119 119 LEU N N 119 124.745 124.745 126.524 -1.779 18976 1543 1 2 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.674 0.096 18976 1544 1 2 . 1 1 119 119 LEU C C 119 178.127 178.127 177.627 0.500 18976 1545 1 2 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.866 0.973 18976 1546 1 2 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.189 0.134 18976 1547 1 2 . 1 1 119 119 LEU H H 119 8.140 8.140 8.247 -0.107 18976 1548 1 2 . 1 1 120 120 THR N N 120 114.555 114.555 113.931 0.624 18976 1549 1 2 . 1 1 120 120 THR HA H 120 4.477 4.477 4.225 0.252 18976 1550 1 2 . 1 1 120 120 THR C C 120 175.514 175.514 175.005 0.509 18976 1551 1 2 . 1 1 120 120 THR CA C 120 60.613 60.613 61.274 -0.661 18976 1552 1 2 . 1 1 120 120 THR CB C 120 70.902 70.902 70.226 0.676 18976 1553 1 2 . 1 1 120 120 THR H H 120 9.220 9.220 8.440 0.780 18976 1554 1 2 . 1 1 121 121 ASP N N 121 121.128 121.128 120.367 0.761 18976 1555 1 2 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.356 -0.128 18976 1556 1 2 . 1 1 121 121 ASP C C 121 178.655 178.655 177.664 0.991 18976 1557 1 2 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.301 0.451 18976 1558 1 2 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.986 -1.671 18976 1559 1 2 . 1 1 121 121 ASP H H 121 8.921 8.921 8.711 0.210 18976 1560 1 2 . 1 1 122 122 GLU N N 122 119.266 119.266 119.005 0.261 18976 1561 1 2 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.136 -0.017 18976 1562 1 2 . 1 1 122 122 GLU C C 122 179.184 179.184 178.248 0.936 18976 1563 1 2 . 1 1 122 122 GLU CA C 122 59.772 59.772 58.971 0.801 18976 1564 1 2 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.797 -0.932 18976 1565 1 2 . 1 1 122 122 GLU H H 122 8.712 8.712 7.991 0.721 18976 1566 1 2 . 1 1 123 123 GLU N N 123 120.455 120.455 119.121 1.334 18976 1567 1 2 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.091 -0.068 18976 1568 1 2 . 1 1 123 123 GLU C C 123 180.123 180.123 179.407 0.716 18976 1569 1 2 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.780 0.310 18976 1570 1 2 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.783 0.430 18976 1571 1 2 . 1 1 123 123 GLU H H 123 7.763 7.763 7.755 0.008 18976 1572 1 2 . 1 1 124 124 VAL N N 124 121.726 121.726 115.124 6.602 18976 1573 1 2 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.800 -0.193 18976 1574 1 2 . 1 1 124 124 VAL C C 124 177.337 177.337 177.064 0.273 18976 1575 1 2 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.745 0.987 18976 1576 1 2 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.782 -0.740 18976 1577 1 2 . 1 1 124 124 VAL H H 124 8.119 8.119 8.042 0.077 18976 1578 1 2 . 1 1 125 125 ASP N N 125 119.880 119.880 120.606 -0.726 18976 1579 1 2 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.335 0.016 18976 1580 1 2 . 1 1 125 125 ASP C C 125 179.323 179.323 177.805 1.518 18976 1581 1 2 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.155 0.220 18976 1582 1 2 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.988 -0.876 18976 1583 1 2 . 1 1 125 125 ASP H H 125 8.051 8.051 7.617 0.434 18976 1584 1 2 . 1 1 126 126 GLU N N 126 119.798 119.798 120.175 -0.377 18976 1585 1 2 . 1 1 126 126 GLU HA H 126 4.021 4.021 3.934 0.087 18976 1586 1 2 . 1 1 126 126 GLU C C 126 177.966 177.966 178.538 -0.572 18976 1587 1 2 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.534 -0.561 18976 1588 1 2 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.483 -0.399 18976 1589 1 2 . 1 1 126 126 GLU H H 126 8.047 8.047 7.886 0.161 18976 1590 1 2 . 1 1 127 127 MET N N 127 119.443 119.443 117.563 1.880 18976 1591 1 2 . 1 1 127 127 MET HA H 127 4.137 4.137 4.145 -0.008 18976 1592 1 2 . 1 1 127 127 MET C C 127 179.859 179.859 178.871 0.988 18976 1593 1 2 . 1 1 127 127 MET CA C 127 59.137 59.137 59.058 0.079 18976 1594 1 2 . 1 1 127 127 MET CB C 127 32.239 32.239 32.462 -0.223 18976 1595 1 2 . 1 1 127 127 MET H H 127 7.795 7.795 7.373 0.422 18976 1596 1 2 . 1 1 128 128 ILE N N 128 120.667 120.667 119.002 1.665 18976 1597 1 2 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.692 -0.171 18976 1598 1 2 . 1 1 128 128 ILE C C 128 177.657 177.657 178.130 -0.473 18976 1599 1 2 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.261 -0.449 18976 1600 1 2 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.579 -0.592 18976 1601 1 2 . 1 1 128 128 ILE H H 128 8.158 8.158 7.852 0.306 18976 1602 1 2 . 1 1 129 129 ARG N N 129 119.725 119.725 120.025 -0.300 18976 1603 1 2 . 1 1 129 129 ARG HA H 129 4.069 4.069 3.983 0.085 18976 1604 1 2 . 1 1 129 129 ARG C C 129 178.920 178.920 178.145 0.775 18976 1605 1 2 . 1 1 129 129 ARG CA C 129 59.615 59.615 59.335 0.280 18976 1606 1 2 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.281 -0.399 18976 1607 1 2 . 1 1 129 129 ARG H H 129 8.270 8.270 7.732 0.538 18976 1608 1 2 . 1 1 130 130 GLU N N 130 115.236 115.236 116.301 -1.065 18976 1609 1 2 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.158 -0.064 18976 1610 1 2 . 1 1 130 130 GLU C C 130 177.349 177.349 178.171 -0.822 18976 1611 1 2 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.830 -0.930 18976 1612 1 2 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.680 0.143 18976 1613 1 2 . 1 1 130 130 GLU H H 130 7.953 7.953 8.069 -0.116 18976 1614 1 2 . 1 1 131 131 THR N N 131 112.585 112.585 110.571 2.014 18976 1615 1 2 . 1 1 131 131 THR HA H 131 4.239 4.239 4.353 -0.114 18976 1616 1 2 . 1 1 131 131 THR C C 131 174.149 174.149 173.074 1.075 18976 1617 1 2 . 1 1 131 131 THR CA C 131 62.887 62.887 62.946 -0.059 18976 1618 1 2 . 1 1 131 131 THR CB C 131 69.337 69.337 69.918 -0.581 18976 1619 1 2 . 1 1 131 131 THR H H 131 7.465 7.465 7.636 -0.171 18976 1620 1 2 . 1 1 132 132 ASP N N 132 121.237 121.237 120.578 0.659 18976 1621 1 2 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.878 -0.400 18976 1622 1 2 . 1 1 132 132 ASP C C 132 175.777 175.777 176.701 -0.924 18976 1623 1 2 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.406 1.548 18976 1624 1 2 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.675 -2.235 18976 1625 1 2 . 1 1 132 132 ASP H H 132 8.070 8.070 7.771 0.299 18976 1626 1 2 . 1 1 133 133 ILE N N 133 127.244 127.244 120.294 6.950 18976 1627 1 2 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.307 -0.331 18976 1628 1 2 . 1 1 133 133 ILE C C 133 177.628 177.628 176.322 1.306 18976 1629 1 2 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.368 0.498 18976 1630 1 2 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.192 0.286 18976 1631 1 2 . 1 1 133 133 ILE H H 133 8.345 8.345 8.494 -0.149 18976 1632 1 2 . 1 1 134 134 ASP N N 134 116.893 116.893 120.181 -3.288 18976 1633 1 2 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.595 -0.062 18976 1634 1 2 . 1 1 134 134 ASP C C 134 178.259 178.259 177.433 0.826 18976 1635 1 2 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.956 -0.413 18976 1636 1 2 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.310 -0.472 18976 1637 1 2 . 1 1 134 134 ASP H H 134 8.297 8.297 8.091 0.206 18976 1638 1 2 . 1 1 135 135 GLY N N 135 108.287 108.287 108.431 -0.144 18976 1639 1 2 . 1 1 135 135 GLY C C 135 175.250 175.250 175.395 -0.145 18976 1640 1 2 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.919 1.178 18976 1641 1 2 . 1 1 135 135 GLY H H 135 7.623 7.623 8.030 -0.407 18976 1642 1 2 . 1 1 136 136 ASP N N 136 120.541 120.541 120.280 0.261 18976 1643 1 2 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.541 -0.061 18976 1644 1 2 . 1 1 136 136 ASP C C 136 177.584 177.584 177.804 -0.220 18976 1645 1 2 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.354 0.021 18976 1646 1 2 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.977 -1.084 18976 1647 1 2 . 1 1 136 136 ASP H H 136 8.290 8.290 8.399 -0.109 18976 1648 1 2 . 1 1 137 137 GLY N N 137 112.490 112.490 108.967 3.523 18976 1649 1 2 . 1 1 137 137 GLY C C 137 172.828 172.828 173.278 -0.450 18976 1650 1 2 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.337 0.133 18976 1651 1 2 . 1 1 137 137 GLY H H 137 10.224 10.224 8.006 2.218 18976 1652 1 2 . 1 1 138 138 GLN N N 138 115.266 115.266 117.391 -2.125 18976 1653 1 2 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.247 -0.378 18976 1654 1 2 . 1 1 138 138 GLN C C 138 174.677 174.677 174.679 -0.002 18976 1655 1 2 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.439 -1.653 18976 1656 1 2 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.986 -2.243 18976 1657 1 2 . 1 1 138 138 GLN H H 138 7.992 7.992 8.170 -0.178 18976 1658 1 2 . 1 1 139 139 VAL N N 139 125.667 125.667 124.181 1.486 18976 1659 1 2 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.803 0.309 18976 1660 1 2 . 1 1 139 139 VAL C C 139 175.763 175.763 175.431 0.332 18976 1661 1 2 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.956 0.723 18976 1662 1 2 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.604 0.928 18976 1663 1 2 . 1 1 139 139 VAL H H 139 9.227 9.227 8.590 0.637 18976 1664 1 2 . 1 1 140 140 ASN N N 140 128.431 128.431 126.468 1.963 18976 1665 1 2 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.355 -0.081 18976 1666 1 2 . 1 1 140 140 ASN C C 140 175.079 175.079 176.170 -1.091 18976 1667 1 2 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.549 0.117 18976 1668 1 2 . 1 1 140 140 ASN CB C 140 38.227 38.227 39.688 -1.461 18976 1669 1 2 . 1 1 140 140 ASN H H 140 9.360 9.360 8.866 0.494 18976 1670 1 2 . 1 1 141 141 TYR N N 141 119.146 119.146 117.628 1.518 18976 1671 1 2 . 1 1 141 141 TYR HA H 141 3.386 3.386 4.185 -0.799 18976 1672 1 2 . 1 1 141 141 TYR C C 141 176.092 176.092 177.474 -1.382 18976 1673 1 2 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.739 0.319 18976 1674 1 2 . 1 1 141 141 TYR CB C 141 37.359 37.359 37.907 -0.548 18976 1675 1 2 . 1 1 141 141 TYR H H 141 8.451 8.451 8.745 -0.294 18976 1676 1 2 . 1 1 142 142 GLU N N 142 118.431 118.431 119.724 -1.293 18976 1677 1 2 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.237 -0.554 18976 1678 1 2 . 1 1 142 142 GLU C C 142 180.226 180.226 178.492 1.734 18976 1679 1 2 . 1 1 142 142 GLU CA C 142 60.083 60.083 58.678 1.405 18976 1680 1 2 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.750 -1.204 18976 1681 1 2 . 1 1 142 142 GLU H H 142 8.097 8.097 8.066 0.031 18976 1682 1 2 . 1 1 143 143 GLU N N 143 120.068 120.068 120.832 -0.764 18976 1683 1 2 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.210 -0.220 18976 1684 1 2 . 1 1 143 143 GLU C C 143 179.060 179.060 179.335 -0.275 18976 1685 1 2 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.475 -0.901 18976 1686 1 2 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.854 -0.672 18976 1687 1 2 . 1 1 143 143 GLU H H 143 8.667 8.667 8.201 0.466 18976 1688 1 2 . 1 1 144 144 PHE N N 144 123.392 123.392 121.358 2.034 18976 1689 1 2 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.234 -0.267 18976 1690 1 2 . 1 1 144 144 PHE C C 144 176.982 176.982 177.648 -0.666 18976 1691 1 2 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.708 -0.262 18976 1692 1 2 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.508 0.187 18976 1693 1 2 . 1 1 144 144 PHE H H 144 8.731 8.731 8.790 -0.059 18976 1694 1 2 . 1 1 145 145 VAL N N 145 119.201 119.201 117.953 1.248 18976 1695 1 2 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.753 -0.560 18976 1696 1 2 . 1 1 145 145 VAL C C 145 179.228 179.228 177.554 1.674 18976 1697 1 2 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.741 0.921 18976 1698 1 2 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.832 -0.548 18976 1699 1 2 . 1 1 145 145 VAL H H 145 8.671 8.671 8.033 0.638 18976 1700 1 2 . 1 1 146 146 GLN N N 146 119.252 119.252 119.597 -0.345 18976 1701 1 2 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.884 0.032 18976 1702 1 2 . 1 1 146 146 GLN C C 146 177.825 177.825 178.019 -0.194 18976 1703 1 2 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.587 -1.020 18976 1704 1 2 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.489 -0.669 18976 1705 1 2 . 1 1 146 146 GLN H H 146 7.767 7.767 7.641 0.126 18976 1706 1 2 . 1 1 147 147 ARG N N 147 118.529 118.529 119.235 -0.706 18976 1707 1 2 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.013 0.159 18976 1708 1 2 . 1 1 147 147 ARG C C 147 178.112 178.112 178.849 -0.737 18976 1709 1 2 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.575 -1.066 18976 1710 1 2 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.710 0.404 18976 1711 1 2 . 1 1 147 147 ARG H H 147 7.628 7.628 7.485 0.143 18976 1712 1 2 . 1 1 148 148 MET N N 148 115.755 115.755 116.928 -1.173 18976 1713 1 2 . 1 1 148 148 MET HA H 148 4.304 4.304 4.312 -0.008 18976 1714 1 2 . 1 1 148 148 MET C C 148 177.628 177.628 178.446 -0.818 18976 1715 1 2 . 1 1 148 148 MET CA C 148 55.489 55.489 57.128 -1.639 18976 1716 1 2 . 1 1 148 148 MET CB C 148 31.773 31.773 32.317 -0.544 18976 1717 1 2 . 1 1 148 148 MET H H 148 8.003 8.003 7.544 0.459 18976 1718 1 2 . 1 1 149 149 THR N N 149 110.062 110.062 112.924 -2.862 18976 1719 1 2 . 1 1 149 149 THR HA H 149 4.349 4.349 4.138 0.211 18976 1720 1 2 . 1 1 149 149 THR C C 149 174.149 174.149 174.854 -0.705 18976 1721 1 2 . 1 1 149 149 THR CA C 149 61.775 61.775 63.566 -1.791 18976 1722 1 2 . 1 1 149 149 THR CB C 149 69.780 69.780 69.310 0.470 18976 1723 1 2 . 1 1 149 149 THR H H 149 7.682 7.682 7.757 -0.075 18976 1724 1 2 . 1 1 150 150 ALA N N 150 126.503 126.503 122.291 4.212 18976 1725 1 2 . 1 1 150 150 ALA HA H 150 4.330 4.330 3.907 0.423 18976 1726 1 2 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.894 -0.359 18976 1727 1 2 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.501 0.233 18976 1728 1 2 . 1 1 150 150 ALA H H 150 7.651 7.651 7.583 0.068 18976 1729 1 3 . 1 1 2 2 LEU HA H 2 4.421 4.421 3.997 0.424 18976 1730 1 3 . 1 1 2 2 LEU C C 2 177.129 177.129 175.314 1.815 18976 1731 1 3 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.781 -0.659 18976 1732 1 3 . 1 1 2 2 LEU CB C 2 42.453 42.453 40.662 1.791 18976 1733 1 3 . 1 1 2 2 LEU H H 2 8.641 8.641 8.057 0.584 18976 1734 1 3 . 1 1 3 3 MET N N 3 120.143 120.143 119.839 0.304 18976 1735 1 3 . 1 1 3 3 MET HA H 3 4.451 4.451 4.480 -0.029 18976 1736 1 3 . 1 1 3 3 MET C C 3 176.835 176.835 177.108 -0.273 18976 1737 1 3 . 1 1 3 3 MET CA C 3 55.160 55.160 55.887 -0.727 18976 1738 1 3 . 1 1 3 3 MET CB C 3 32.584 32.584 33.003 -0.419 18976 1739 1 3 . 1 1 3 3 MET H H 3 8.396 8.396 8.409 -0.013 18976 1740 1 3 . 1 1 4 4 ALA N N 4 123.344 123.344 122.959 0.385 18976 1741 1 3 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.001 0.059 18976 1742 1 3 . 1 1 4 4 ALA C C 4 177.922 177.922 177.421 0.501 18976 1743 1 3 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.227 -0.677 18976 1744 1 3 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.368 0.188 18976 1745 1 3 . 1 1 4 4 ALA H H 4 8.396 8.396 8.070 0.326 18976 1746 1 3 . 1 1 5 5 ASP N N 5 116.052 116.052 114.929 1.123 18976 1747 1 3 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.554 -0.045 18976 1748 1 3 . 1 1 5 5 ASP C C 5 176.366 176.366 176.865 -0.499 18976 1749 1 3 . 1 1 5 5 ASP CA C 5 54.623 54.623 54.692 -0.069 18976 1750 1 3 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.982 -0.719 18976 1751 1 3 . 1 1 5 5 ASP H H 5 8.114 8.114 8.056 0.058 18976 1752 1 3 . 1 1 6 6 GLN N N 6 117.717 117.717 119.678 -1.961 18976 1753 1 3 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.418 -0.041 18976 1754 1 3 . 1 1 6 6 GLN C C 6 175.842 175.842 174.823 1.019 18976 1755 1 3 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.017 0.294 18976 1756 1 3 . 1 1 6 6 GLN CB C 6 29.590 29.590 27.652 1.938 18976 1757 1 3 . 1 1 6 6 GLN H H 6 7.935 7.935 7.844 0.091 18976 1758 1 3 . 1 1 7 7 LEU N N 7 121.086 121.086 120.980 0.106 18976 1759 1 3 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.563 0.113 18976 1760 1 3 . 1 1 7 7 LEU C C 7 177.496 177.496 176.582 0.914 18976 1761 1 3 . 1 1 7 7 LEU CA C 7 54.065 54.065 53.780 0.285 18976 1762 1 3 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.478 -0.210 18976 1763 1 3 . 1 1 7 7 LEU H H 7 7.713 7.713 7.195 0.518 18976 1764 1 3 . 1 1 8 8 THR N N 8 112.688 112.688 118.055 -5.367 18976 1765 1 3 . 1 1 8 8 THR HA H 8 4.475 4.475 4.249 0.226 18976 1766 1 3 . 1 1 8 8 THR C C 8 175.511 175.511 175.696 -0.185 18976 1767 1 3 . 1 1 8 8 THR CA C 8 60.256 60.256 62.654 -2.398 18976 1768 1 3 . 1 1 8 8 THR CB C 8 71.019 71.019 69.955 1.064 18976 1769 1 3 . 1 1 8 8 THR H H 8 8.800 8.800 8.447 0.353 18976 1770 1 3 . 1 1 9 9 GLU N N 9 120.380 120.380 122.425 -2.045 18976 1771 1 3 . 1 1 9 9 GLU HA H 9 3.980 3.980 3.994 -0.014 18976 1772 1 3 . 1 1 9 9 GLU C C 9 179.492 179.492 178.660 0.832 18976 1773 1 3 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.970 -0.044 18976 1774 1 3 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.326 -0.401 18976 1775 1 3 . 1 1 9 9 GLU H H 9 9.040 9.040 8.968 0.072 18976 1776 1 3 . 1 1 10 10 GLU N N 10 119.361 119.361 116.095 3.266 18976 1777 1 3 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.058 0.016 18976 1778 1 3 . 1 1 10 10 GLU C C 10 179.185 179.185 178.778 0.407 18976 1779 1 3 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.021 0.746 18976 1780 1 3 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.180 -0.384 18976 1781 1 3 . 1 1 10 10 GLU H H 10 8.729 8.729 8.647 0.082 18976 1782 1 3 . 1 1 11 11 GLN N N 11 120.302 120.302 118.066 2.236 18976 1783 1 3 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.233 -0.365 18976 1784 1 3 . 1 1 11 11 GLN C C 11 178.318 178.318 178.448 -0.130 18976 1785 1 3 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.124 0.260 18976 1786 1 3 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.147 -0.262 18976 1787 1 3 . 1 1 11 11 GLN H H 11 7.747 7.747 7.904 -0.157 18976 1788 1 3 . 1 1 12 12 ILE N N 12 119.533 119.533 121.251 -1.718 18976 1789 1 3 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.038 -0.320 18976 1790 1 3 . 1 1 12 12 ILE C C 12 177.731 177.731 178.084 -0.353 18976 1791 1 3 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.861 0.098 18976 1792 1 3 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.770 -0.258 18976 1793 1 3 . 1 1 12 12 ILE H H 12 8.456 8.456 8.354 0.102 18976 1794 1 3 . 1 1 13 13 ALA N N 13 121.161 121.161 121.359 -0.198 18976 1795 1 3 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.109 0.030 18976 1796 1 3 . 1 1 13 13 ALA C C 13 181.019 181.019 179.784 1.235 18976 1797 1 3 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.231 -0.108 18976 1798 1 3 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.343 -0.839 18976 1799 1 3 . 1 1 13 13 ALA H H 13 8.018 8.018 8.241 -0.223 18976 1800 1 3 . 1 1 14 14 GLU N N 14 119.619 119.619 118.726 0.893 18976 1801 1 3 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.191 -0.027 18976 1802 1 3 . 1 1 14 14 GLU C C 14 180.534 180.534 179.029 1.505 18976 1803 1 3 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.117 1.007 18976 1804 1 3 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.162 -0.309 18976 1805 1 3 . 1 1 14 14 GLU H H 14 7.792 7.792 7.703 0.089 18976 1806 1 3 . 1 1 15 15 PHE N N 15 120.089 120.089 119.471 0.618 18976 1807 1 3 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.532 0.532 18976 1808 1 3 . 1 1 15 15 PHE C C 15 178.700 178.700 178.216 0.484 18976 1809 1 3 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.977 -3.120 18976 1810 1 3 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.928 -1.452 18976 1811 1 3 . 1 1 15 15 PHE H H 15 8.587 8.587 8.315 0.272 18976 1812 1 3 . 1 1 16 16 LYS N N 16 123.715 123.715 119.330 4.385 18976 1813 1 3 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.224 -0.179 18976 1814 1 3 . 1 1 16 16 LYS C C 16 179.327 179.327 178.887 0.440 18976 1815 1 3 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.335 0.535 18976 1816 1 3 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.650 -0.077 18976 1817 1 3 . 1 1 16 16 LYS H H 16 9.256 9.256 8.584 0.672 18976 1818 1 3 . 1 1 17 17 GLU N N 17 120.262 120.262 120.590 -0.328 18976 1819 1 3 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.130 0.026 18976 1820 1 3 . 1 1 17 17 GLU C C 17 179.456 179.456 178.658 0.798 18976 1821 1 3 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.051 -0.044 18976 1822 1 3 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.127 -0.318 18976 1823 1 3 . 1 1 17 17 GLU H H 17 7.774 7.774 7.702 0.072 18976 1824 1 3 . 1 1 18 18 ALA N N 18 122.590 122.590 122.582 0.008 18976 1825 1 3 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.223 0.092 18976 1826 1 3 . 1 1 18 18 ALA C C 18 179.060 179.060 179.905 -0.845 18976 1827 1 3 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.193 -0.364 18976 1828 1 3 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.592 -0.794 18976 1829 1 3 . 1 1 18 18 ALA H H 18 8.001 8.001 7.933 0.068 18976 1830 1 3 . 1 1 19 19 PHE N N 19 119.363 119.363 118.070 1.293 18976 1831 1 3 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.764 -0.530 18976 1832 1 3 . 1 1 19 19 PHE C C 19 177.290 177.290 177.379 -0.089 18976 1833 1 3 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.905 0.852 18976 1834 1 3 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.002 0.136 18976 1835 1 3 . 1 1 19 19 PHE H H 19 8.859 8.859 8.531 0.328 18976 1836 1 3 . 1 1 20 20 SER N N 20 112.556 112.556 115.774 -3.218 18976 1837 1 3 . 1 1 20 20 SER HA H 20 4.142 4.142 4.278 -0.136 18976 1838 1 3 . 1 1 20 20 SER C C 20 174.955 174.955 176.240 -1.285 18976 1839 1 3 . 1 1 20 20 SER CA C 20 61.007 61.007 61.764 -0.757 18976 1840 1 3 . 1 1 20 20 SER CB C 20 62.960 62.960 63.423 -0.463 18976 1841 1 3 . 1 1 20 20 SER H H 20 7.934 7.934 7.869 0.065 18976 1842 1 3 . 1 1 21 21 LEU N N 21 120.816 120.816 117.949 2.867 18976 1843 1 3 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.210 -0.194 18976 1844 1 3 . 1 1 21 21 LEU C C 21 178.010 178.010 178.296 -0.286 18976 1845 1 3 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.323 -0.528 18976 1846 1 3 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.417 -0.285 18976 1847 1 3 . 1 1 21 21 LEU H H 21 7.434 7.434 7.740 -0.306 18976 1848 1 3 . 1 1 22 22 PHE N N 22 115.049 115.049 119.584 -4.535 18976 1849 1 3 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.223 0.021 18976 1850 1 3 . 1 1 22 22 PHE C C 22 176.762 176.762 175.776 0.986 18976 1851 1 3 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.637 -1.617 18976 1852 1 3 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.672 1.058 18976 1853 1 3 . 1 1 22 22 PHE H H 22 7.326 7.326 7.893 -0.567 18976 1854 1 3 . 1 1 23 23 ASP N N 23 117.496 117.496 118.333 -0.837 18976 1855 1 3 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.747 -0.196 18976 1856 1 3 . 1 1 23 23 ASP C C 23 177.167 177.167 176.657 0.510 18976 1857 1 3 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.350 -1.309 18976 1858 1 3 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.442 -1.844 18976 1859 1 3 . 1 1 23 23 ASP H H 23 7.851 7.851 7.748 0.103 18976 1860 1 3 . 1 1 24 24 LYS N N 24 124.470 124.470 125.133 -0.663 18976 1861 1 3 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.970 0.014 18976 1862 1 3 . 1 1 24 24 LYS C C 24 178.127 178.127 177.835 0.292 18976 1863 1 3 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.546 -0.388 18976 1864 1 3 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.368 0.015 18976 1865 1 3 . 1 1 24 24 LYS H H 24 7.687 7.687 8.013 -0.326 18976 1866 1 3 . 1 1 25 25 ASP N N 25 113.822 113.822 115.276 -1.454 18976 1867 1 3 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.505 0.101 18976 1868 1 3 . 1 1 25 25 ASP C C 25 177.687 177.687 177.594 0.093 18976 1869 1 3 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.513 -2.054 18976 1870 1 3 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.432 -1.241 18976 1871 1 3 . 1 1 25 25 ASP H H 25 8.067 8.067 7.951 0.116 18976 1872 1 3 . 1 1 26 26 GLY N N 26 109.208 109.208 108.206 1.002 18976 1873 1 3 . 1 1 26 26 GLY C C 26 175.132 175.132 175.353 -0.221 18976 1874 1 3 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.994 0.880 18976 1875 1 3 . 1 1 26 26 GLY H H 26 7.698 7.698 8.261 -0.563 18976 1876 1 3 . 1 1 27 27 ASP N N 27 120.603 120.603 120.778 -0.175 18976 1877 1 3 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.559 -0.036 18976 1878 1 3 . 1 1 27 27 ASP C C 27 177.452 177.452 177.925 -0.473 18976 1879 1 3 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.737 -0.244 18976 1880 1 3 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.051 -0.803 18976 1881 1 3 . 1 1 27 27 ASP H H 27 8.397 8.397 8.490 -0.093 18976 1882 1 3 . 1 1 28 28 GLY N N 28 113.187 113.187 109.166 4.021 18976 1883 1 3 . 1 1 28 28 GLY C C 28 173.679 173.679 173.587 0.092 18976 1884 1 3 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.511 -0.330 18976 1885 1 3 . 1 1 28 28 GLY H H 28 10.648 10.648 8.361 2.287 18976 1886 1 3 . 1 1 29 29 THR N N 29 112.865 112.865 110.257 2.608 18976 1887 1 3 . 1 1 29 29 THR HA H 29 5.310 5.310 5.293 0.017 18976 1888 1 3 . 1 1 29 29 THR C C 29 172.872 172.872 173.545 -0.673 18976 1889 1 3 . 1 1 29 29 THR CA C 29 59.764 59.764 60.925 -1.161 18976 1890 1 3 . 1 1 29 29 THR CB C 29 72.319 72.319 71.868 0.451 18976 1891 1 3 . 1 1 29 29 THR H H 29 8.144 8.144 8.478 -0.334 18976 1892 1 3 . 1 1 30 30 ILE N N 30 127.035 127.035 126.896 0.139 18976 1893 1 3 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.536 0.444 18976 1894 1 3 . 1 1 30 30 ILE C C 30 176.072 176.072 175.900 0.172 18976 1895 1 3 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.504 -0.360 18976 1896 1 3 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.826 1.476 18976 1897 1 3 . 1 1 30 30 ILE H H 30 9.821 9.821 9.018 0.803 18976 1898 1 3 . 1 1 31 31 THR N N 31 116.509 116.509 121.796 -5.287 18976 1899 1 3 . 1 1 31 31 THR HA H 31 4.800 4.800 4.628 0.172 18976 1900 1 3 . 1 1 31 31 THR C C 31 176.542 176.542 176.344 0.198 18976 1901 1 3 . 1 1 31 31 THR CA C 31 59.396 59.396 60.417 -1.021 18976 1902 1 3 . 1 1 31 31 THR CB C 31 72.162 72.162 70.398 1.764 18976 1903 1 3 . 1 1 31 31 THR H H 31 8.469 8.469 8.475 -0.006 18976 1904 1 3 . 1 1 32 32 THR N N 32 112.790 112.790 114.746 -1.956 18976 1905 1 3 . 1 1 32 32 THR HA H 32 3.803 3.803 4.056 -0.253 18976 1906 1 3 . 1 1 32 32 THR C C 32 177.188 177.188 176.288 0.900 18976 1907 1 3 . 1 1 32 32 THR CA C 32 66.253 66.253 65.897 0.355 18976 1908 1 3 . 1 1 32 32 THR CB C 32 67.459 67.459 68.677 -1.218 18976 1909 1 3 . 1 1 32 32 THR H H 32 9.128 9.128 8.972 0.156 18976 1910 1 3 . 1 1 33 33 LYS N N 33 120.844 120.844 121.975 -1.131 18976 1911 1 3 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.993 0.155 18976 1912 1 3 . 1 1 33 33 LYS C C 33 179.880 179.880 178.533 1.347 18976 1913 1 3 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.716 -0.777 18976 1914 1 3 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.371 -0.136 18976 1915 1 3 . 1 1 33 33 LYS H H 33 7.695 7.695 8.047 -0.352 18976 1916 1 3 . 1 1 34 34 GLU N N 34 121.463 121.463 118.765 2.698 18976 1917 1 3 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.119 -0.051 18976 1918 1 3 . 1 1 34 34 GLU C C 34 179.140 179.140 179.382 -0.242 18976 1919 1 3 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.938 0.201 18976 1920 1 3 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.605 -0.060 18976 1921 1 3 . 1 1 34 34 GLU H H 34 7.687 7.687 7.670 0.017 18976 1922 1 3 . 1 1 35 35 LEU N N 35 120.583 120.583 121.063 -0.480 18976 1923 1 3 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.270 -0.147 18976 1924 1 3 . 1 1 35 35 LEU C C 35 178.934 178.934 178.988 -0.054 18976 1925 1 3 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.285 -0.458 18976 1926 1 3 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.800 0.580 18976 1927 1 3 . 1 1 35 35 LEU H H 35 8.745 8.745 8.480 0.265 18976 1928 1 3 . 1 1 36 36 GLY N N 36 128.127 128.127 104.984 23.143 18976 1929 1 3 . 1 1 36 36 GLY C C 36 175.177 175.177 176.270 -1.093 18976 1930 1 3 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.348 0.655 18976 1931 1 3 . 1 1 36 36 GLY H H 36 8.670 8.670 8.316 0.354 18976 1932 1 3 . 1 1 37 37 THR N N 37 117.925 117.925 118.619 -0.694 18976 1933 1 3 . 1 1 37 37 THR HA H 37 3.938 3.938 4.000 -0.062 18976 1934 1 3 . 1 1 37 37 THR C C 37 177.137 177.137 176.092 1.045 18976 1935 1 3 . 1 1 37 37 THR CA C 37 66.648 66.648 66.931 -0.283 18976 1936 1 3 . 1 1 37 37 THR CB C 37 68.383 68.383 68.689 -0.306 18976 1937 1 3 . 1 1 37 37 THR H H 37 7.930 7.930 7.674 0.256 18976 1938 1 3 . 1 1 38 38 VAL N N 38 122.046 122.046 121.791 0.255 18976 1939 1 3 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.512 0.011 18976 1940 1 3 . 1 1 38 38 VAL C C 38 179.243 179.243 178.195 1.048 18976 1941 1 3 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.770 0.192 18976 1942 1 3 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.042 0.028 18976 1943 1 3 . 1 1 38 38 VAL H H 38 7.643 7.643 7.641 0.002 18976 1944 1 3 . 1 1 39 39 MET N N 39 118.442 118.442 116.717 1.725 18976 1945 1 3 . 1 1 39 39 MET HA H 39 4.133 4.133 4.144 -0.011 18976 1946 1 3 . 1 1 39 39 MET C C 39 179.125 179.125 178.183 0.942 18976 1947 1 3 . 1 1 39 39 MET CA C 39 58.886 58.886 56.892 1.994 18976 1948 1 3 . 1 1 39 39 MET CB C 39 31.211 31.211 31.141 0.070 18976 1949 1 3 . 1 1 39 39 MET H H 39 8.497 8.497 7.987 0.510 18976 1950 1 3 . 1 1 40 40 ARG N N 40 118.929 118.929 120.108 -1.179 18976 1951 1 3 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.223 0.610 18976 1952 1 3 . 1 1 40 40 ARG C C 40 181.224 181.224 179.086 2.138 18976 1953 1 3 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.208 -0.322 18976 1954 1 3 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.033 -1.198 18976 1955 1 3 . 1 1 40 40 ARG H H 40 8.536 8.536 7.719 0.817 18976 1956 1 3 . 1 1 41 41 SER N N 41 118.832 118.832 116.264 2.568 18976 1957 1 3 . 1 1 41 41 SER HA H 41 4.425 4.425 4.292 0.133 18976 1958 1 3 . 1 1 41 41 SER C C 41 174.839 174.839 175.592 -0.753 18976 1959 1 3 . 1 1 41 41 SER CA C 41 61.249 61.249 61.046 0.203 18976 1960 1 3 . 1 1 41 41 SER CB C 41 62.464 62.464 62.714 -0.249 18976 1961 1 3 . 1 1 41 41 SER H H 41 7.925 7.925 7.656 0.269 18976 1962 1 3 . 1 1 42 42 LEU N N 42 120.676 120.676 120.046 0.630 18976 1963 1 3 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.368 0.149 18976 1964 1 3 . 1 1 42 42 LEU C C 42 177.540 177.540 177.448 0.092 18976 1965 1 3 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.959 -0.727 18976 1966 1 3 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.651 0.019 18976 1967 1 3 . 1 1 42 42 LEU H H 42 7.395 7.395 7.491 -0.096 18976 1968 1 3 . 1 1 43 43 GLY N N 43 106.840 106.840 106.703 0.137 18976 1969 1 3 . 1 1 43 43 GLY C C 43 174.384 174.384 174.696 -0.312 18976 1970 1 3 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.842 0.466 18976 1971 1 3 . 1 1 43 43 GLY H H 43 7.885 7.885 7.682 0.203 18976 1972 1 3 . 1 1 44 44 GLN N N 44 118.414 118.414 120.230 -1.816 18976 1973 1 3 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.519 -0.017 18976 1974 1 3 . 1 1 44 44 GLN C C 44 174.134 174.134 174.535 -0.401 18976 1975 1 3 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.375 -0.191 18976 1976 1 3 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.764 -0.490 18976 1977 1 3 . 1 1 44 44 GLN H H 44 7.805 7.805 7.706 0.099 18976 1978 1 3 . 1 1 45 45 ASN N N 45 116.265 116.265 117.231 -0.966 18976 1979 1 3 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.945 0.256 18976 1980 1 3 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.760 -0.803 18976 1981 1 3 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.675 -0.766 18976 1982 1 3 . 1 1 45 45 ASN H H 45 8.733 8.733 8.567 0.166 18976 1983 1 3 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.893 -0.106 18976 1984 1 3 . 1 1 46 46 PRO C C 46 177.745 177.745 175.795 1.950 18976 1985 1 3 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.434 -0.329 18976 1986 1 3 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.861 -2.158 18976 1987 1 3 . 1 1 47 47 THR N N 47 112.958 112.958 114.176 -1.218 18976 1988 1 3 . 1 1 47 47 THR HA H 47 4.451 4.451 4.532 -0.081 18976 1989 1 3 . 1 1 47 47 THR C C 47 175.159 175.159 176.099 -0.940 18976 1990 1 3 . 1 1 47 47 THR CA C 47 60.078 60.078 59.362 0.716 18976 1991 1 3 . 1 1 47 47 THR CB C 47 71.001 71.001 71.581 -0.580 18976 1992 1 3 . 1 1 47 47 THR H H 47 8.767 8.767 8.543 0.224 18976 1993 1 3 . 1 1 48 48 GLU N N 48 120.607 120.607 125.456 -4.849 18976 1994 1 3 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.998 0.008 18976 1995 1 3 . 1 1 48 48 GLU C C 48 178.949 178.949 178.193 0.756 18976 1996 1 3 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.713 0.028 18976 1997 1 3 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.557 -0.865 18976 1998 1 3 . 1 1 48 48 GLU H H 48 8.824 8.824 8.923 -0.099 18976 1999 1 3 . 1 1 49 49 ALA N N 49 120.678 120.678 121.783 -1.105 18976 2000 1 3 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.058 0.061 18976 2001 1 3 . 1 1 49 49 ALA C C 49 180.226 180.226 179.519 0.707 18976 2002 1 3 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.843 -0.127 18976 2003 1 3 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.311 -0.438 18976 2004 1 3 . 1 1 49 49 ALA H H 49 8.279 8.279 7.658 0.621 18976 2005 1 3 . 1 1 50 50 GLU N N 50 118.703 118.703 118.093 0.610 18976 2006 1 3 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.234 -0.182 18976 2007 1 3 . 1 1 50 50 GLU C C 50 180.182 180.182 179.430 0.752 18976 2008 1 3 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.672 0.185 18976 2009 1 3 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.708 -0.340 18976 2010 1 3 . 1 1 50 50 GLU H H 50 7.712 7.712 7.866 -0.154 18976 2011 1 3 . 1 1 51 51 LEU N N 51 120.420 120.420 118.988 1.432 18976 2012 1 3 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.239 -0.145 18976 2013 1 3 . 1 1 51 51 LEU C C 51 178.494 178.494 179.094 -0.600 18976 2014 1 3 . 1 1 51 51 LEU CA C 51 57.679 57.679 55.947 1.732 18976 2015 1 3 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.341 1.715 18976 2016 1 3 . 1 1 51 51 LEU H H 51 8.192 8.192 7.472 0.720 18976 2017 1 3 . 1 1 52 52 GLN N N 52 118.200 118.200 120.013 -1.813 18976 2018 1 3 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.929 -0.091 18976 2019 1 3 . 1 1 52 52 GLN C C 52 178.518 178.518 177.611 0.907 18976 2020 1 3 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.999 -0.802 18976 2021 1 3 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.049 -0.145 18976 2022 1 3 . 1 1 52 52 GLN H H 52 8.212 8.212 8.058 0.154 18976 2023 1 3 . 1 1 53 53 ASP N N 53 119.922 119.922 119.332 0.590 18976 2024 1 3 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.461 -0.031 18976 2025 1 3 . 1 1 53 53 ASP C C 53 178.635 178.635 178.355 0.280 18976 2026 1 3 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.528 -0.266 18976 2027 1 3 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.565 -0.603 18976 2028 1 3 . 1 1 53 53 ASP H H 53 8.108 8.108 7.848 0.260 18976 2029 1 3 . 1 1 54 54 MET N N 54 119.290 119.290 116.005 3.285 18976 2030 1 3 . 1 1 54 54 MET HA H 54 4.044 4.044 4.453 -0.409 18976 2031 1 3 . 1 1 54 54 MET C C 54 178.876 178.876 178.064 0.812 18976 2032 1 3 . 1 1 54 54 MET CA C 54 59.108 59.108 58.207 0.901 18976 2033 1 3 . 1 1 54 54 MET CB C 54 32.930 32.930 32.868 0.062 18976 2034 1 3 . 1 1 54 54 MET H H 54 7.865 7.865 7.308 0.557 18976 2035 1 3 . 1 1 55 55 ILE N N 55 118.056 118.056 118.773 -0.717 18976 2036 1 3 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.704 -0.189 18976 2037 1 3 . 1 1 55 55 ILE C C 55 177.760 177.760 177.430 0.330 18976 2038 1 3 . 1 1 55 55 ILE CA C 55 64.480 64.480 63.940 0.540 18976 2039 1 3 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.193 -1.213 18976 2040 1 3 . 1 1 55 55 ILE H H 55 7.710 7.710 7.149 0.561 18976 2041 1 3 . 1 1 56 56 ASN N N 56 117.688 117.688 119.005 -1.317 18976 2042 1 3 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.387 0.005 18976 2043 1 3 . 1 1 56 56 ASN C C 56 177.393 177.393 177.167 0.226 18976 2044 1 3 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.360 -0.774 18976 2045 1 3 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.648 -0.994 18976 2046 1 3 . 1 1 56 56 ASN H H 56 8.606 8.606 8.267 0.339 18976 2047 1 3 . 1 1 57 57 GLU N N 57 116.316 116.316 117.008 -0.692 18976 2048 1 3 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.211 -0.168 18976 2049 1 3 . 1 1 57 57 GLU C C 57 177.569 177.569 177.819 -0.250 18976 2050 1 3 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.322 0.310 18976 2051 1 3 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.055 0.044 18976 2052 1 3 . 1 1 57 57 GLU H H 57 7.580 7.580 7.876 -0.296 18976 2053 1 3 . 1 1 58 58 VAL N N 58 108.390 108.390 113.774 -5.384 18976 2054 1 3 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.230 0.252 18976 2055 1 3 . 1 1 58 58 VAL C C 58 175.749 175.749 175.738 0.011 18976 2056 1 3 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.133 -1.716 18976 2057 1 3 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.621 -0.255 18976 2058 1 3 . 1 1 58 58 VAL H H 58 7.219 7.219 7.431 -0.212 18976 2059 1 3 . 1 1 59 59 ASP N N 59 121.728 121.728 121.351 0.377 18976 2060 1 3 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.862 -0.220 18976 2061 1 3 . 1 1 59 59 ASP C C 59 176.219 176.219 175.931 0.288 18976 2062 1 3 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.275 -0.807 18976 2063 1 3 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.222 -1.357 18976 2064 1 3 . 1 1 59 59 ASP H H 59 7.674 7.674 7.878 -0.204 18976 2065 1 3 . 1 1 60 60 ALA N N 60 109.214 109.214 129.798 -20.584 18976 2066 1 3 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.125 0.091 18976 2067 1 3 . 1 1 60 60 ALA C C 60 178.626 178.626 178.432 0.194 18976 2068 1 3 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.190 -0.205 18976 2069 1 3 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.680 -0.534 18976 2070 1 3 . 1 1 60 60 ALA H H 60 8.481 8.481 8.430 0.051 18976 2071 1 3 . 1 1 61 61 ASP N N 61 113.667 113.667 115.917 -2.250 18976 2072 1 3 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.490 0.133 18976 2073 1 3 . 1 1 61 61 ASP C C 61 177.848 177.848 177.901 -0.053 18976 2074 1 3 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.074 -1.663 18976 2075 1 3 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.123 -1.572 18976 2076 1 3 . 1 1 61 61 ASP H H 61 8.158 8.158 8.090 0.068 18976 2077 1 3 . 1 1 62 62 GLY N N 62 108.314 108.314 109.233 -0.919 18976 2078 1 3 . 1 1 62 62 GLY C C 62 174.933 174.933 175.373 -0.440 18976 2079 1 3 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.783 1.159 18976 2080 1 3 . 1 1 62 62 GLY H H 62 7.585 7.585 8.317 -0.732 18976 2081 1 3 . 1 1 63 63 ASN N N 63 118.384 118.384 118.854 -0.470 18976 2082 1 3 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.687 -0.030 18976 2083 1 3 . 1 1 63 63 ASN C C 63 176.835 176.835 176.251 0.584 18976 2084 1 3 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.855 -0.632 18976 2085 1 3 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.130 -1.764 18976 2086 1 3 . 1 1 63 63 ASN H H 63 8.086 8.086 8.697 -0.611 18976 2087 1 3 . 1 1 64 64 GLY N N 64 113.412 113.412 110.046 3.366 18976 2088 1 3 . 1 1 64 64 GLY C C 64 173.254 173.254 173.471 -0.217 18976 2089 1 3 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.277 0.120 18976 2090 1 3 . 1 1 64 64 GLY H H 64 10.618 10.618 8.345 2.273 18976 2091 1 3 . 1 1 65 65 THR N N 65 108.877 108.877 113.695 -4.818 18976 2092 1 3 . 1 1 65 65 THR HA H 65 4.766 4.766 4.642 0.124 18976 2093 1 3 . 1 1 65 65 THR C C 65 173.195 173.195 173.232 -0.037 18976 2094 1 3 . 1 1 65 65 THR CA C 65 59.301 59.301 61.189 -1.888 18976 2095 1 3 . 1 1 65 65 THR CB C 65 71.695 71.695 72.588 -0.893 18976 2096 1 3 . 1 1 65 65 THR H H 65 7.684 7.684 8.045 -0.361 18976 2097 1 3 . 1 1 66 66 ILE N N 66 123.673 123.673 124.467 -0.794 18976 2098 1 3 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.404 0.786 18976 2099 1 3 . 1 1 66 66 ILE C C 66 175.529 175.529 175.083 0.446 18976 2100 1 3 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.190 -1.506 18976 2101 1 3 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.708 0.709 18976 2102 1 3 . 1 1 66 66 ILE H H 66 8.912 8.912 8.407 0.505 18976 2103 1 3 . 1 1 67 67 ASP N N 67 128.135 128.135 127.732 0.403 18976 2104 1 3 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.084 0.300 18976 2105 1 3 . 1 1 67 67 ASP C C 67 176.322 176.322 176.642 -0.320 18976 2106 1 3 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.773 -1.930 18976 2107 1 3 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.458 -0.671 18976 2108 1 3 . 1 1 67 67 ASP H H 67 8.824 8.824 8.559 0.265 18976 2109 1 3 . 1 1 68 68 PHE N N 68 118.627 118.627 123.019 -4.392 18976 2110 1 3 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.899 0.125 18976 2111 1 3 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.636 0.534 18976 2112 1 3 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.779 -1.178 18976 2113 1 3 . 1 1 68 68 PHE H H 68 8.943 8.943 9.119 -0.176 18976 2114 1 3 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.938 -0.062 18976 2115 1 3 . 1 1 69 69 PRO C C 69 180.037 180.037 178.503 1.534 18976 2116 1 3 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.723 0.669 18976 2117 1 3 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.041 -0.667 18976 2118 1 3 . 1 1 70 70 GLU N N 70 117.615 117.615 117.771 -0.156 18976 2119 1 3 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.171 -0.063 18976 2120 1 3 . 1 1 70 70 GLU C C 70 178.773 178.773 178.811 -0.038 18976 2121 1 3 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.062 0.504 18976 2122 1 3 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.254 -0.228 18976 2123 1 3 . 1 1 70 70 GLU H H 70 7.969 7.969 7.734 0.235 18976 2124 1 3 . 1 1 71 71 PHE N N 71 123.460 123.460 122.544 0.916 18976 2125 1 3 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.193 -0.219 18976 2126 1 3 . 1 1 71 71 PHE C C 71 177.041 177.041 176.431 0.610 18976 2127 1 3 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.284 -0.257 18976 2128 1 3 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.455 0.252 18976 2129 1 3 . 1 1 71 71 PHE H H 71 8.861 8.861 8.126 0.735 18976 2130 1 3 . 1 1 72 72 LEU N N 72 118.749 118.749 118.085 0.664 18976 2131 1 3 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.374 -0.006 18976 2132 1 3 . 1 1 72 72 LEU C C 72 178.949 178.949 178.581 0.368 18976 2133 1 3 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.736 -0.140 18976 2134 1 3 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.254 0.488 18976 2135 1 3 . 1 1 72 72 LEU H H 72 8.411 8.411 7.704 0.707 18976 2136 1 3 . 1 1 73 73 THR N N 73 115.213 115.213 108.417 6.796 18976 2137 1 3 . 1 1 73 73 THR HA H 73 3.753 3.753 4.010 -0.257 18976 2138 1 3 . 1 1 73 73 THR C C 73 175.955 175.955 176.188 -0.233 18976 2139 1 3 . 1 1 73 73 THR CA C 73 66.313 66.313 64.278 2.034 18976 2140 1 3 . 1 1 73 73 THR CB C 73 68.075 68.075 69.130 -1.055 18976 2141 1 3 . 1 1 73 73 THR H H 73 7.522 7.522 7.243 0.279 18976 2142 1 3 . 1 1 74 74 MET N N 74 121.455 121.455 121.939 -0.484 18976 2143 1 3 . 1 1 74 74 MET HA H 74 3.773 3.773 4.179 -0.406 18976 2144 1 3 . 1 1 74 74 MET C C 74 178.098 178.098 177.168 0.930 18976 2145 1 3 . 1 1 74 74 MET CA C 74 58.603 58.603 57.666 0.937 18976 2146 1 3 . 1 1 74 74 MET CB C 74 32.905 32.905 32.667 0.238 18976 2147 1 3 . 1 1 74 74 MET H H 74 7.783 7.783 7.601 0.182 18976 2148 1 3 . 1 1 75 75 MET N N 75 116.557 116.557 115.152 1.405 18976 2149 1 3 . 1 1 75 75 MET HA H 75 3.998 3.998 4.292 -0.294 18976 2150 1 3 . 1 1 75 75 MET C C 75 178.700 178.700 177.384 1.316 18976 2151 1 3 . 1 1 75 75 MET CA C 75 55.472 55.472 58.027 -2.555 18976 2152 1 3 . 1 1 75 75 MET CB C 75 30.693 30.693 31.668 -0.974 18976 2153 1 3 . 1 1 75 75 MET H H 75 8.077 8.077 7.964 0.113 18976 2154 1 3 . 1 1 76 76 ALA N N 76 122.410 122.410 121.803 0.607 18976 2155 1 3 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.946 0.143 18976 2156 1 3 . 1 1 76 76 ALA C C 76 179.683 179.683 178.925 0.758 18976 2157 1 3 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.507 -0.131 18976 2158 1 3 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.852 -0.073 18976 2159 1 3 . 1 1 76 76 ALA H H 76 8.303 8.303 7.956 0.347 18976 2160 1 3 . 1 1 77 77 ARG N N 77 116.451 116.451 117.421 -0.970 18976 2161 1 3 . 1 1 77 77 ARG HA H 77 4.102 4.102 3.979 0.123 18976 2162 1 3 . 1 1 77 77 ARG C C 77 177.701 177.701 178.609 -0.908 18976 2163 1 3 . 1 1 77 77 ARG CA C 77 58.042 58.042 59.042 -1.000 18976 2164 1 3 . 1 1 77 77 ARG CB C 77 30.008 30.008 29.456 0.552 18976 2165 1 3 . 1 1 77 77 ARG H H 77 7.622 7.622 7.523 0.099 18976 2166 1 3 . 1 1 78 78 LYS N N 78 118.021 118.021 118.203 -0.182 18976 2167 1 3 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.319 -0.080 18976 2168 1 3 . 1 1 78 78 LYS C C 78 177.525 177.525 178.651 -1.126 18976 2169 1 3 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.583 -0.862 18976 2170 1 3 . 1 1 78 78 LYS CB C 78 32.213 32.213 31.635 0.578 18976 2171 1 3 . 1 1 78 78 LYS H H 78 7.577 7.577 7.860 -0.283 18976 2172 1 3 . 1 1 79 79 MET N N 79 118.929 118.929 119.332 -0.403 18976 2173 1 3 . 1 1 79 79 MET HA H 79 4.351 4.351 4.386 -0.035 18976 2174 1 3 . 1 1 79 79 MET C C 79 176.322 176.322 176.922 -0.600 18976 2175 1 3 . 1 1 79 79 MET CA C 79 56.345 56.345 56.532 -0.188 18976 2176 1 3 . 1 1 79 79 MET CB C 79 32.946 32.946 32.884 0.062 18976 2177 1 3 . 1 1 79 79 MET H H 79 7.772 7.772 7.370 0.402 18976 2178 1 3 . 1 1 80 80 LYS N N 80 120.686 120.686 118.778 1.908 18976 2179 1 3 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.341 -0.014 18976 2180 1 3 . 1 1 80 80 LYS C C 80 176.395 176.395 175.580 0.815 18976 2181 1 3 . 1 1 80 80 LYS CA C 80 56.144 56.144 55.486 0.659 18976 2182 1 3 . 1 1 80 80 LYS CB C 80 32.808 32.808 32.292 0.516 18976 2183 1 3 . 1 1 80 80 LYS H H 80 7.955 7.955 7.536 0.419 18976 2184 1 3 . 1 1 81 81 ASP N N 81 121.721 121.721 118.630 3.091 18976 2185 1 3 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.309 0.380 18976 2186 1 3 . 1 1 81 81 ASP C C 81 176.644 176.644 174.955 1.689 18976 2187 1 3 . 1 1 81 81 ASP CA C 81 54.286 54.286 55.023 -0.737 18976 2188 1 3 . 1 1 81 81 ASP CB C 81 40.793 40.793 39.613 1.180 18976 2189 1 3 . 1 1 81 81 ASP H H 81 8.341 8.341 7.920 0.421 18976 2190 1 3 . 1 1 82 82 THR N N 82 114.594 114.594 111.714 2.880 18976 2191 1 3 . 1 1 82 82 THR HA H 82 4.323 4.323 4.055 0.268 18976 2192 1 3 . 1 1 82 82 THR C C 82 174.584 174.584 175.138 -0.554 18976 2193 1 3 . 1 1 82 82 THR CA C 82 61.955 61.955 63.580 -1.625 18976 2194 1 3 . 1 1 82 82 THR CB C 82 69.586 69.586 68.375 1.211 18976 2195 1 3 . 1 1 82 82 THR H H 82 8.123 8.123 7.801 0.322 18976 2196 1 3 . 1 1 83 83 ASP N N 83 123.126 123.126 125.940 -2.814 18976 2197 1 3 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.213 0.486 18976 2198 1 3 . 1 1 83 83 ASP C C 83 176.674 176.674 177.901 -1.227 18976 2199 1 3 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.982 -2.491 18976 2200 1 3 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.441 0.599 18976 2201 1 3 . 1 1 83 83 ASP H H 83 8.439 8.439 8.402 0.037 18976 2202 1 3 . 1 1 84 84 SER N N 84 116.982 116.982 116.018 0.964 18976 2203 1 3 . 1 1 84 84 SER HA H 84 4.458 4.458 4.185 0.273 18976 2204 1 3 . 1 1 84 84 SER C C 84 175.393 175.393 176.023 -0.630 18976 2205 1 3 . 1 1 84 84 SER CA C 84 58.943 58.943 60.956 -2.013 18976 2206 1 3 . 1 1 84 84 SER CB C 84 63.550 63.550 62.435 1.115 18976 2207 1 3 . 1 1 84 84 SER H H 84 8.418 8.418 8.438 -0.020 18976 2208 1 3 . 1 1 85 85 GLU N N 85 122.632 122.632 120.330 2.302 18976 2209 1 3 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.119 0.092 18976 2210 1 3 . 1 1 85 85 GLU C C 85 177.716 177.716 178.320 -0.604 18976 2211 1 3 . 1 1 85 85 GLU CA C 85 58.539 58.539 58.832 -0.293 18976 2212 1 3 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.835 0.392 18976 2213 1 3 . 1 1 85 85 GLU H H 85 8.504 8.504 8.203 0.301 18976 2214 1 3 . 1 1 86 86 GLU N N 86 119.077 119.077 119.873 -0.796 18976 2215 1 3 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.003 0.058 18976 2216 1 3 . 1 1 86 86 GLU C C 86 178.885 178.885 178.245 0.640 18976 2217 1 3 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.984 0.381 18976 2218 1 3 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.574 -0.509 18976 2219 1 3 . 1 1 86 86 GLU H H 86 8.333 8.333 7.915 0.418 18976 2220 1 3 . 1 1 87 87 GLU N N 87 119.138 119.138 120.434 -1.296 18976 2221 1 3 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.336 -0.190 18976 2222 1 3 . 1 1 87 87 GLU C C 87 179.823 179.823 178.845 0.978 18976 2223 1 3 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.958 -0.048 18976 2224 1 3 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.463 -0.197 18976 2225 1 3 . 1 1 87 87 GLU H H 87 8.130 8.130 7.474 0.656 18976 2226 1 3 . 1 1 88 88 LEU N N 88 122.103 122.103 120.404 1.699 18976 2227 1 3 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.150 0.241 18976 2228 1 3 . 1 1 88 88 LEU C C 88 178.905 178.905 178.791 0.114 18976 2229 1 3 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.838 -0.122 18976 2230 1 3 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.953 -0.092 18976 2231 1 3 . 1 1 88 88 LEU H H 88 8.152 8.152 7.488 0.664 18976 2232 1 3 . 1 1 89 89 ARG N N 89 120.092 120.092 118.676 1.416 18976 2233 1 3 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.095 -0.045 18976 2234 1 3 . 1 1 89 89 ARG C C 89 179.507 179.507 179.216 0.291 18976 2235 1 3 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.571 -0.160 18976 2236 1 3 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.905 -0.445 18976 2237 1 3 . 1 1 89 89 ARG H H 89 8.499 8.499 7.763 0.736 18976 2238 1 3 . 1 1 90 90 GLU N N 90 119.315 119.315 119.260 0.055 18976 2239 1 3 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.036 0.131 18976 2240 1 3 . 1 1 90 90 GLU C C 90 178.068 178.068 178.770 -0.702 18976 2241 1 3 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.392 -0.801 18976 2242 1 3 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.247 -0.318 18976 2243 1 3 . 1 1 90 90 GLU H H 90 8.040 8.040 7.845 0.195 18976 2244 1 3 . 1 1 91 91 ALA N N 91 121.794 121.794 121.803 -0.009 18976 2245 1 3 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.212 -0.001 18976 2246 1 3 . 1 1 91 91 ALA C C 91 179.855 179.855 179.680 0.175 18976 2247 1 3 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.594 0.132 18976 2248 1 3 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.277 -0.707 18976 2249 1 3 . 1 1 91 91 ALA H H 91 7.996 7.996 7.493 0.503 18976 2250 1 3 . 1 1 92 92 PHE N N 92 119.368 119.368 118.962 0.406 18976 2251 1 3 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.791 -0.661 18976 2252 1 3 . 1 1 92 92 PHE C C 92 176.454 176.454 177.139 -0.685 18976 2253 1 3 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.217 0.015 18976 2254 1 3 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.199 -0.272 18976 2255 1 3 . 1 1 92 92 PHE H H 92 8.360 8.360 8.325 0.035 18976 2256 1 3 . 1 1 93 93 ARG N N 93 117.178 117.178 119.496 -2.318 18976 2257 1 3 . 1 1 93 93 ARG HA H 93 3.865 3.865 4.079 -0.214 18976 2258 1 3 . 1 1 93 93 ARG C C 93 178.421 178.421 178.522 -0.101 18976 2259 1 3 . 1 1 93 93 ARG CA C 93 58.841 58.841 57.962 0.878 18976 2260 1 3 . 1 1 93 93 ARG CB C 93 29.906 29.906 29.529 0.377 18976 2261 1 3 . 1 1 93 93 ARG H H 93 7.895 7.895 7.704 0.191 18976 2262 1 3 . 1 1 94 94 VAL N N 94 115.719 115.719 118.808 -3.089 18976 2263 1 3 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.670 -0.070 18976 2264 1 3 . 1 1 94 94 VAL C C 94 177.334 177.334 177.762 -0.428 18976 2265 1 3 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.852 -0.820 18976 2266 1 3 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.268 0.276 18976 2267 1 3 . 1 1 94 94 VAL H H 94 7.541 7.541 7.885 -0.344 18976 2268 1 3 . 1 1 95 95 GLU N N 95 117.921 117.921 115.859 2.062 18976 2269 1 3 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.099 -0.091 18976 2270 1 3 . 1 1 95 95 GLU C C 95 176.953 176.953 177.447 -0.494 18976 2271 1 3 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.035 0.222 18976 2272 1 3 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.146 -1.459 18976 2273 1 3 . 1 1 95 95 GLU H H 95 7.011 7.011 7.300 -0.289 18976 2274 1 3 . 1 1 96 96 ASP N N 96 117.365 117.365 119.754 -2.389 18976 2275 1 3 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.921 -0.471 18976 2276 1 3 . 1 1 96 96 ASP C C 96 177.202 177.202 176.034 1.168 18976 2277 1 3 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.269 -0.796 18976 2278 1 3 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.601 -1.527 18976 2279 1 3 . 1 1 96 96 ASP H H 96 7.626 7.626 7.859 -0.233 18976 2280 1 3 . 1 1 97 97 LYS N N 97 124.733 124.733 120.852 3.881 18976 2281 1 3 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.015 -0.114 18976 2282 1 3 . 1 1 97 97 LYS C C 97 178.333 178.333 177.767 0.566 18976 2283 1 3 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.853 -0.248 18976 2284 1 3 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.401 0.029 18976 2285 1 3 . 1 1 97 97 LYS H H 97 7.357 7.357 7.564 -0.207 18976 2286 1 3 . 1 1 98 98 ASP N N 98 114.048 114.048 115.590 -1.542 18976 2287 1 3 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.465 0.103 18976 2288 1 3 . 1 1 98 98 ASP C C 98 177.775 177.775 177.465 0.310 18976 2289 1 3 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.131 -1.474 18976 2290 1 3 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.054 -0.461 18976 2291 1 3 . 1 1 98 98 ASP H H 98 8.352 8.352 8.207 0.145 18976 2292 1 3 . 1 1 99 99 GLY N N 99 109.454 109.454 109.750 -0.296 18976 2293 1 3 . 1 1 99 99 GLY C C 99 175.082 175.082 175.105 -0.023 18976 2294 1 3 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.837 0.991 18976 2295 1 3 . 1 1 99 99 GLY H H 99 7.828 7.828 7.918 -0.090 18976 2296 1 3 . 1 1 100 100 ASN N N 100 119.607 119.607 118.414 1.193 18976 2297 1 3 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.805 -0.170 18976 2298 1 3 . 1 1 100 100 ASN C C 100 175.969 175.969 176.751 -0.782 18976 2299 1 3 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.950 -0.466 18976 2300 1 3 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.286 -1.405 18976 2301 1 3 . 1 1 100 100 ASN H H 100 8.334 8.334 8.491 -0.157 18976 2302 1 3 . 1 1 101 101 GLY N N 101 113.007 113.007 107.894 5.113 18976 2303 1 3 . 1 1 101 101 GLY C C 101 172.314 172.314 173.228 -0.914 18976 2304 1 3 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.196 -0.514 18976 2305 1 3 . 1 1 101 101 GLY H H 101 10.640 10.640 8.747 1.893 18976 2306 1 3 . 1 1 102 102 TYR N N 102 115.913 115.913 117.526 -1.613 18976 2307 1 3 . 1 1 102 102 TYR HA H 102 5.186 5.186 4.825 0.361 18976 2308 1 3 . 1 1 102 102 TYR C C 102 174.736 174.736 174.508 0.228 18976 2309 1 3 . 1 1 102 102 TYR CA C 102 55.662 55.662 57.330 -1.668 18976 2310 1 3 . 1 1 102 102 TYR CB C 102 42.801 42.801 42.041 0.760 18976 2311 1 3 . 1 1 102 102 TYR H H 102 7.610 7.610 8.264 -0.654 18976 2312 1 3 . 1 1 103 103 ILE N N 103 127.698 127.698 124.261 3.437 18976 2313 1 3 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.505 0.311 18976 2314 1 3 . 1 1 103 103 ILE C C 103 175.634 175.634 175.808 -0.174 18976 2315 1 3 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.076 0.362 18976 2316 1 3 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.733 -0.814 18976 2317 1 3 . 1 1 103 103 ILE H H 103 10.228 10.228 8.446 1.782 18976 2318 1 3 . 1 1 104 104 SER N N 104 123.581 123.581 121.569 2.012 18976 2319 1 3 . 1 1 104 104 SER HA H 104 4.849 4.849 5.015 -0.166 18976 2320 1 3 . 1 1 104 104 SER C C 104 175.191 175.191 175.100 0.091 18976 2321 1 3 . 1 1 104 104 SER CA C 104 55.499 55.499 55.224 0.275 18976 2322 1 3 . 1 1 104 104 SER CB C 104 66.371 66.371 65.634 0.737 18976 2323 1 3 . 1 1 104 104 SER H H 104 8.947 8.947 8.401 0.546 18976 2324 1 3 . 1 1 105 105 ALA N N 105 122.829 122.829 124.764 -1.935 18976 2325 1 3 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.055 -0.126 18976 2326 1 3 . 1 1 105 105 ALA C C 105 179.272 179.272 178.785 0.487 18976 2327 1 3 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.534 0.126 18976 2328 1 3 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.571 -0.888 18976 2329 1 3 . 1 1 105 105 ALA H H 105 9.251 9.251 9.105 0.146 18976 2330 1 3 . 1 1 106 106 ALA N N 106 118.442 118.442 120.622 -2.180 18976 2331 1 3 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.940 0.097 18976 2332 1 3 . 1 1 106 106 ALA C C 106 181.180 181.180 179.004 2.176 18976 2333 1 3 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.802 0.039 18976 2334 1 3 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.346 -0.303 18976 2335 1 3 . 1 1 106 106 ALA H H 106 8.209 8.209 7.812 0.397 18976 2336 1 3 . 1 1 107 107 GLU N N 107 118.406 118.406 118.283 0.123 18976 2337 1 3 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.970 0.022 18976 2338 1 3 . 1 1 107 107 GLU C C 107 179.272 179.272 178.760 0.512 18976 2339 1 3 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.116 0.025 18976 2340 1 3 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.265 -0.509 18976 2341 1 3 . 1 1 107 107 GLU H H 107 7.752 7.752 7.866 -0.114 18976 2342 1 3 . 1 1 108 108 LEU N N 108 122.413 122.413 119.918 2.495 18976 2343 1 3 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.006 0.066 18976 2344 1 3 . 1 1 108 108 LEU C C 108 178.553 178.553 178.928 -0.375 18976 2345 1 3 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.849 -0.557 18976 2346 1 3 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.548 -0.105 18976 2347 1 3 . 1 1 108 108 LEU H H 108 8.793 8.793 8.140 0.653 18976 2348 1 3 . 1 1 109 109 ARG N N 109 118.074 118.074 119.006 -0.932 18976 2349 1 3 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.013 -0.156 18976 2350 1 3 . 1 1 109 109 ARG C C 109 179.140 179.140 179.208 -0.068 18976 2351 1 3 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.394 0.392 18976 2352 1 3 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.352 -0.528 18976 2353 1 3 . 1 1 109 109 ARG H H 109 8.421 8.421 7.958 0.463 18976 2354 1 3 . 1 1 110 110 ILE N N 110 120.191 120.191 115.759 4.432 18976 2355 1 3 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.885 -0.098 18976 2356 1 3 . 1 1 110 110 ILE C C 110 177.804 177.804 177.919 -0.115 18976 2357 1 3 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.236 0.317 18976 2358 1 3 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.732 0.326 18976 2359 1 3 . 1 1 110 110 ILE H H 110 7.401 7.401 7.689 -0.288 18976 2360 1 3 . 1 1 111 111 VAL N N 111 120.330 120.330 122.355 -2.025 18976 2361 1 3 . 1 1 111 111 VAL HA H 111 3.763 3.763 4.081 -0.318 18976 2362 1 3 . 1 1 111 111 VAL C C 111 178.802 178.802 177.666 1.136 18976 2363 1 3 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.290 0.400 18976 2364 1 3 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.477 -0.885 18976 2365 1 3 . 1 1 111 111 VAL H H 111 7.907 7.907 7.656 0.251 18976 2366 1 3 . 1 1 112 112 MET N N 112 116.794 116.794 118.006 -1.212 18976 2367 1 3 . 1 1 112 112 MET HA H 112 4.396 4.396 4.186 0.210 18976 2368 1 3 . 1 1 112 112 MET C C 112 178.890 178.890 178.512 0.378 18976 2369 1 3 . 1 1 112 112 MET CA C 112 56.719 56.719 56.928 -0.209 18976 2370 1 3 . 1 1 112 112 MET CB C 112 30.384 30.384 30.911 -0.527 18976 2371 1 3 . 1 1 112 112 MET H H 112 8.355 8.355 8.180 0.175 18976 2372 1 3 . 1 1 113 113 THR N N 113 117.282 117.282 114.692 2.590 18976 2373 1 3 . 1 1 113 113 THR HA H 113 4.187 4.187 3.992 0.195 18976 2374 1 3 . 1 1 113 113 THR C C 113 178.112 178.112 176.153 1.959 18976 2375 1 3 . 1 1 113 113 THR CA C 113 65.902 65.902 67.192 -1.290 18976 2376 1 3 . 1 1 113 113 THR CB C 113 68.642 68.642 68.380 0.262 18976 2377 1 3 . 1 1 113 113 THR H H 113 8.314 8.314 7.986 0.328 18976 2378 1 3 . 1 1 114 114 ASN N N 114 122.220 122.220 117.057 5.163 18976 2379 1 3 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.597 -0.005 18976 2380 1 3 . 1 1 114 114 ASN C C 114 176.644 176.644 176.840 -0.196 18976 2381 1 3 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.644 0.510 18976 2382 1 3 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.068 -0.472 18976 2383 1 3 . 1 1 114 114 ASN H H 114 8.483 8.483 7.659 0.824 18976 2384 1 3 . 1 1 115 115 ARG N N 115 117.970 117.970 119.053 -1.083 18976 2385 1 3 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.331 0.098 18976 2386 1 3 . 1 1 115 115 ARG C C 115 176.366 176.366 177.385 -1.019 18976 2387 1 3 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.458 -0.059 18976 2388 1 3 . 1 1 115 115 ARG CB C 115 30.500 30.500 29.992 0.508 18976 2389 1 3 . 1 1 115 115 ARG H H 115 7.776 7.776 8.155 -0.379 18976 2390 1 3 . 1 1 116 116 GLY N N 116 107.547 107.547 106.952 0.595 18976 2391 1 3 . 1 1 116 116 GLY C C 116 174.384 174.384 174.492 -0.108 18976 2392 1 3 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.374 -0.167 18976 2393 1 3 . 1 1 116 116 GLY H H 116 7.968 7.968 7.974 -0.006 18976 2394 1 3 . 1 1 117 117 GLU N N 117 119.975 119.975 119.017 0.958 18976 2395 1 3 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.454 -0.048 18976 2396 1 3 . 1 1 117 117 GLU C C 117 175.558 175.558 176.153 -0.595 18976 2397 1 3 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.894 0.283 18976 2398 1 3 . 1 1 117 117 GLU CB C 117 30.400 30.400 30.258 0.142 18976 2399 1 3 . 1 1 117 117 GLU H H 117 7.934 7.934 8.018 -0.084 18976 2400 1 3 . 1 1 118 118 LYS N N 118 124.035 124.035 119.488 4.547 18976 2401 1 3 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.132 0.272 18976 2402 1 3 . 1 1 118 118 LYS C C 118 175.441 175.441 175.217 0.224 18976 2403 1 3 . 1 1 118 118 LYS CA C 118 55.267 55.267 57.275 -2.007 18976 2404 1 3 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.507 -0.657 18976 2405 1 3 . 1 1 118 118 LYS H H 118 8.626 8.626 7.888 0.738 18976 2406 1 3 . 1 1 119 119 LEU N N 119 124.745 124.745 126.510 -1.765 18976 2407 1 3 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.939 -0.169 18976 2408 1 3 . 1 1 119 119 LEU C C 119 178.127 178.127 177.112 1.015 18976 2409 1 3 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.665 1.174 18976 2410 1 3 . 1 1 119 119 LEU CB C 119 44.323 44.323 45.099 -0.776 18976 2411 1 3 . 1 1 119 119 LEU H H 119 8.140 8.140 8.155 -0.015 18976 2412 1 3 . 1 1 120 120 THR N N 120 114.555 114.555 117.813 -3.258 18976 2413 1 3 . 1 1 120 120 THR HA H 120 4.477 4.477 4.200 0.277 18976 2414 1 3 . 1 1 120 120 THR C C 120 175.514 175.514 175.038 0.476 18976 2415 1 3 . 1 1 120 120 THR CA C 120 60.613 60.613 62.410 -1.796 18976 2416 1 3 . 1 1 120 120 THR CB C 120 70.902 70.902 69.893 1.009 18976 2417 1 3 . 1 1 120 120 THR H H 120 9.220 9.220 8.569 0.651 18976 2418 1 3 . 1 1 121 121 ASP N N 121 121.128 121.128 122.488 -1.360 18976 2419 1 3 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.245 -0.017 18976 2420 1 3 . 1 1 121 121 ASP C C 121 178.655 178.655 178.431 0.224 18976 2421 1 3 . 1 1 121 121 ASP CA C 121 57.752 57.752 58.198 -0.446 18976 2422 1 3 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.616 -1.301 18976 2423 1 3 . 1 1 121 121 ASP H H 121 8.921 8.921 8.787 0.134 18976 2424 1 3 . 1 1 122 122 GLU N N 122 119.266 119.266 119.197 0.069 18976 2425 1 3 . 1 1 122 122 GLU HA H 122 4.119 4.119 3.978 0.141 18976 2426 1 3 . 1 1 122 122 GLU C C 122 179.184 179.184 178.346 0.838 18976 2427 1 3 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.530 0.242 18976 2428 1 3 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.557 -0.691 18976 2429 1 3 . 1 1 122 122 GLU H H 122 8.712 8.712 8.567 0.145 18976 2430 1 3 . 1 1 123 123 GLU N N 123 120.455 120.455 118.248 2.207 18976 2431 1 3 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.113 -0.090 18976 2432 1 3 . 1 1 123 123 GLU C C 123 180.123 180.123 179.345 0.778 18976 2433 1 3 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.814 0.276 18976 2434 1 3 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.575 0.638 18976 2435 1 3 . 1 1 123 123 GLU H H 123 7.763 7.763 7.667 0.096 18976 2436 1 3 . 1 1 124 124 VAL N N 124 121.726 121.726 115.719 6.007 18976 2437 1 3 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.756 -0.149 18976 2438 1 3 . 1 1 124 124 VAL C C 124 177.337 177.337 177.097 0.240 18976 2439 1 3 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.316 0.416 18976 2440 1 3 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.638 -0.596 18976 2441 1 3 . 1 1 124 124 VAL H H 124 8.119 8.119 8.075 0.044 18976 2442 1 3 . 1 1 125 125 ASP N N 125 119.880 119.880 120.534 -0.654 18976 2443 1 3 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.345 0.006 18976 2444 1 3 . 1 1 125 125 ASP C C 125 179.323 179.323 178.601 0.722 18976 2445 1 3 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.482 -0.107 18976 2446 1 3 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.626 -0.514 18976 2447 1 3 . 1 1 125 125 ASP H H 125 8.051 8.051 7.532 0.519 18976 2448 1 3 . 1 1 126 126 GLU N N 126 119.798 119.798 120.813 -1.015 18976 2449 1 3 . 1 1 126 126 GLU HA H 126 4.021 4.021 3.992 0.029 18976 2450 1 3 . 1 1 126 126 GLU C C 126 177.966 177.966 178.624 -0.658 18976 2451 1 3 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.111 -0.138 18976 2452 1 3 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.235 -0.151 18976 2453 1 3 . 1 1 126 126 GLU H H 126 8.047 8.047 8.013 0.034 18976 2454 1 3 . 1 1 127 127 MET N N 127 119.443 119.443 117.815 1.628 18976 2455 1 3 . 1 1 127 127 MET HA H 127 4.137 4.137 4.163 -0.026 18976 2456 1 3 . 1 1 127 127 MET C C 127 179.859 179.859 178.905 0.954 18976 2457 1 3 . 1 1 127 127 MET CA C 127 59.137 59.137 57.496 1.641 18976 2458 1 3 . 1 1 127 127 MET CB C 127 32.239 32.239 31.717 0.522 18976 2459 1 3 . 1 1 127 127 MET H H 127 7.795 7.795 7.433 0.362 18976 2460 1 3 . 1 1 128 128 ILE N N 128 120.667 120.667 119.042 1.625 18976 2461 1 3 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.673 -0.152 18976 2462 1 3 . 1 1 128 128 ILE C C 128 177.657 177.657 178.495 -0.838 18976 2463 1 3 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.473 -0.661 18976 2464 1 3 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.773 -0.786 18976 2465 1 3 . 1 1 128 128 ILE H H 128 8.158 8.158 8.059 0.099 18976 2466 1 3 . 1 1 129 129 ARG N N 129 119.725 119.725 117.489 2.236 18976 2467 1 3 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.324 -0.255 18976 2468 1 3 . 1 1 129 129 ARG C C 129 178.920 178.920 178.198 0.722 18976 2469 1 3 . 1 1 129 129 ARG CA C 129 59.615 59.615 57.802 1.813 18976 2470 1 3 . 1 1 129 129 ARG CB C 129 29.882 29.882 29.772 0.110 18976 2471 1 3 . 1 1 129 129 ARG H H 129 8.270 8.270 7.545 0.725 18976 2472 1 3 . 1 1 130 130 GLU N N 130 115.236 115.236 115.447 -0.211 18976 2473 1 3 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.194 -0.100 18976 2474 1 3 . 1 1 130 130 GLU C C 130 177.349 177.349 177.118 0.231 18976 2475 1 3 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.438 -0.538 18976 2476 1 3 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.437 0.386 18976 2477 1 3 . 1 1 130 130 GLU H H 130 7.953 7.953 7.893 0.060 18976 2478 1 3 . 1 1 131 131 THR N N 131 112.585 112.585 111.232 1.353 18976 2479 1 3 . 1 1 131 131 THR HA H 131 4.239 4.239 4.372 -0.133 18976 2480 1 3 . 1 1 131 131 THR C C 131 174.149 174.149 173.429 0.720 18976 2481 1 3 . 1 1 131 131 THR CA C 131 62.887 62.887 62.769 0.118 18976 2482 1 3 . 1 1 131 131 THR CB C 131 69.337 69.337 70.635 -1.298 18976 2483 1 3 . 1 1 131 131 THR H H 131 7.465 7.465 7.441 0.024 18976 2484 1 3 . 1 1 132 132 ASP N N 132 121.237 121.237 122.424 -1.187 18976 2485 1 3 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.758 -0.280 18976 2486 1 3 . 1 1 132 132 ASP C C 132 175.777 175.777 177.260 -1.483 18976 2487 1 3 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.637 0.317 18976 2488 1 3 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.006 -1.566 18976 2489 1 3 . 1 1 132 132 ASP H H 132 8.070 8.070 8.160 -0.090 18976 2490 1 3 . 1 1 133 133 ILE N N 133 127.244 127.244 124.396 2.848 18976 2491 1 3 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.018 -0.042 18976 2492 1 3 . 1 1 133 133 ILE C C 133 177.628 177.628 176.601 1.027 18976 2493 1 3 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.587 0.279 18976 2494 1 3 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.613 -0.135 18976 2495 1 3 . 1 1 133 133 ILE H H 133 8.345 8.345 8.440 -0.095 18976 2496 1 3 . 1 1 134 134 ASP N N 134 116.893 116.893 117.833 -0.940 18976 2497 1 3 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.578 -0.045 18976 2498 1 3 . 1 1 134 134 ASP C C 134 178.259 178.259 177.625 0.634 18976 2499 1 3 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.759 -0.216 18976 2500 1 3 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.902 -1.064 18976 2501 1 3 . 1 1 134 134 ASP H H 134 8.297 8.297 8.167 0.130 18976 2502 1 3 . 1 1 135 135 GLY N N 135 108.287 108.287 109.093 -0.806 18976 2503 1 3 . 1 1 135 135 GLY C C 135 175.250 175.250 175.556 -0.306 18976 2504 1 3 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.249 0.848 18976 2505 1 3 . 1 1 135 135 GLY H H 135 7.623 7.623 7.849 -0.226 18976 2506 1 3 . 1 1 136 136 ASP N N 136 120.541 120.541 120.400 0.141 18976 2507 1 3 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.502 -0.022 18976 2508 1 3 . 1 1 136 136 ASP C C 136 177.584 177.584 177.912 -0.328 18976 2509 1 3 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.634 -0.259 18976 2510 1 3 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.018 -1.125 18976 2511 1 3 . 1 1 136 136 ASP H H 136 8.290 8.290 8.239 0.051 18976 2512 1 3 . 1 1 137 137 GLY N N 137 112.490 112.490 108.970 3.520 18976 2513 1 3 . 1 1 137 137 GLY C C 137 172.828 172.828 172.987 -0.159 18976 2514 1 3 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.136 0.334 18976 2515 1 3 . 1 1 137 137 GLY H H 137 10.224 10.224 8.099 2.125 18976 2516 1 3 . 1 1 138 138 GLN N N 138 115.266 115.266 116.122 -0.856 18976 2517 1 3 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.403 -0.534 18976 2518 1 3 . 1 1 138 138 GLN C C 138 174.677 174.677 174.348 0.329 18976 2519 1 3 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.042 -1.256 18976 2520 1 3 . 1 1 138 138 GLN CB C 138 31.743 31.743 32.588 -0.845 18976 2521 1 3 . 1 1 138 138 GLN H H 138 7.992 7.992 8.409 -0.417 18976 2522 1 3 . 1 1 139 139 VAL N N 139 125.667 125.667 123.789 1.878 18976 2523 1 3 . 1 1 139 139 VAL HA H 139 5.112 5.112 5.198 -0.086 18976 2524 1 3 . 1 1 139 139 VAL C C 139 175.763 175.763 175.094 0.669 18976 2525 1 3 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.900 0.779 18976 2526 1 3 . 1 1 139 139 VAL CB C 139 33.532 33.532 33.286 0.246 18976 2527 1 3 . 1 1 139 139 VAL H H 139 9.227 9.227 8.638 0.589 18976 2528 1 3 . 1 1 140 140 ASN N N 140 128.431 128.431 125.440 2.991 18976 2529 1 3 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.309 -0.035 18976 2530 1 3 . 1 1 140 140 ASN C C 140 175.079 175.079 175.863 -0.784 18976 2531 1 3 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.303 0.363 18976 2532 1 3 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.202 -2.975 18976 2533 1 3 . 1 1 140 140 ASN H H 140 9.360 9.360 8.334 1.026 18976 2534 1 3 . 1 1 141 141 TYR N N 141 119.146 119.146 120.919 -1.773 18976 2535 1 3 . 1 1 141 141 TYR HA H 141 3.386 3.386 4.060 -0.674 18976 2536 1 3 . 1 1 141 141 TYR C C 141 176.092 176.092 177.371 -1.279 18976 2537 1 3 . 1 1 141 141 TYR CA C 141 62.058 62.058 63.781 -1.723 18976 2538 1 3 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.061 -0.702 18976 2539 1 3 . 1 1 141 141 TYR H H 141 8.451 8.451 9.031 -0.580 18976 2540 1 3 . 1 1 142 142 GLU N N 142 118.431 118.431 117.766 0.665 18976 2541 1 3 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.113 -0.431 18976 2542 1 3 . 1 1 142 142 GLU C C 142 180.226 180.226 177.644 2.582 18976 2543 1 3 . 1 1 142 142 GLU CA C 142 60.083 60.083 58.708 1.375 18976 2544 1 3 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.213 0.333 18976 2545 1 3 . 1 1 142 142 GLU H H 142 8.097 8.097 8.784 -0.687 18976 2546 1 3 . 1 1 143 143 GLU N N 143 120.068 120.068 118.959 1.109 18976 2547 1 3 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.317 -0.327 18976 2548 1 3 . 1 1 143 143 GLU C C 143 179.060 179.060 178.638 0.422 18976 2549 1 3 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.524 0.050 18976 2550 1 3 . 1 1 143 143 GLU CB C 143 29.182 29.182 30.157 -0.976 18976 2551 1 3 . 1 1 143 143 GLU H H 143 8.667 8.667 7.758 0.909 18976 2552 1 3 . 1 1 144 144 PHE N N 144 123.392 123.392 122.724 0.668 18976 2553 1 3 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.340 -0.373 18976 2554 1 3 . 1 1 144 144 PHE C C 144 176.982 176.982 177.756 -0.774 18976 2555 1 3 . 1 1 144 144 PHE CA C 144 61.446 61.446 60.903 0.543 18976 2556 1 3 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.946 -0.251 18976 2557 1 3 . 1 1 144 144 PHE H H 144 8.731 8.731 8.861 -0.130 18976 2558 1 3 . 1 1 145 145 VAL N N 145 119.201 119.201 116.599 2.602 18976 2559 1 3 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.695 -0.502 18976 2560 1 3 . 1 1 145 145 VAL C C 145 179.228 179.228 177.868 1.360 18976 2561 1 3 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.951 0.712 18976 2562 1 3 . 1 1 145 145 VAL CB C 145 31.284 31.284 30.425 0.859 18976 2563 1 3 . 1 1 145 145 VAL H H 145 8.671 8.671 8.452 0.219 18976 2564 1 3 . 1 1 146 146 GLN N N 146 119.252 119.252 118.491 0.761 18976 2565 1 3 . 1 1 146 146 GLN HA H 146 3.916 3.916 4.014 -0.098 18976 2566 1 3 . 1 1 146 146 GLN C C 146 177.825 177.825 177.960 -0.135 18976 2567 1 3 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.765 -0.198 18976 2568 1 3 . 1 1 146 146 GLN CB C 146 27.820 27.820 27.922 -0.102 18976 2569 1 3 . 1 1 146 146 GLN H H 146 7.767 7.767 7.849 -0.082 18976 2570 1 3 . 1 1 147 147 ARG N N 147 118.529 118.529 118.161 0.368 18976 2571 1 3 . 1 1 147 147 ARG HA H 147 4.172 4.172 3.975 0.197 18976 2572 1 3 . 1 1 147 147 ARG C C 147 178.112 178.112 177.783 0.329 18976 2573 1 3 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.208 -0.699 18976 2574 1 3 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.789 0.325 18976 2575 1 3 . 1 1 147 147 ARG H H 147 7.628 7.628 7.486 0.142 18976 2576 1 3 . 1 1 148 148 MET N N 148 115.755 115.755 117.524 -1.769 18976 2577 1 3 . 1 1 148 148 MET HA H 148 4.304 4.304 4.302 0.002 18976 2578 1 3 . 1 1 148 148 MET C C 148 177.628 177.628 177.796 -0.168 18976 2579 1 3 . 1 1 148 148 MET CA C 148 55.489 55.489 57.515 -2.026 18976 2580 1 3 . 1 1 148 148 MET CB C 148 31.773 31.773 32.866 -1.093 18976 2581 1 3 . 1 1 148 148 MET H H 148 8.003 8.003 7.897 0.106 18976 2582 1 3 . 1 1 149 149 THR N N 149 110.062 110.062 113.295 -3.233 18976 2583 1 3 . 1 1 149 149 THR HA H 149 4.349 4.349 4.203 0.146 18976 2584 1 3 . 1 1 149 149 THR C C 149 174.149 174.149 174.323 -0.174 18976 2585 1 3 . 1 1 149 149 THR CA C 149 61.775 61.775 63.137 -1.362 18976 2586 1 3 . 1 1 149 149 THR CB C 149 69.780 69.780 69.222 0.558 18976 2587 1 3 . 1 1 149 149 THR H H 149 7.682 7.682 7.725 -0.043 18976 2588 1 3 . 1 1 150 150 ALA N N 150 126.503 126.503 121.902 4.601 18976 2589 1 3 . 1 1 150 150 ALA HA H 150 4.330 4.330 3.982 0.348 18976 2590 1 3 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.838 -0.303 18976 2591 1 3 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.133 0.601 18976 2592 1 3 . 1 1 150 150 ALA H H 150 7.651 7.651 7.453 0.198 18976 2593 1 4 . 1 1 2 2 LEU HA H 2 4.421 4.421 3.876 0.545 18976 2594 1 4 . 1 1 2 2 LEU C C 2 177.129 177.129 177.582 -0.453 18976 2595 1 4 . 1 1 2 2 LEU CA C 2 55.122 55.122 57.003 -1.881 18976 2596 1 4 . 1 1 2 2 LEU CB C 2 42.453 42.453 40.855 1.598 18976 2597 1 4 . 1 1 2 2 LEU H H 2 8.641 8.641 8.166 0.475 18976 2598 1 4 . 1 1 3 3 MET N N 3 120.143 120.143 115.347 4.796 18976 2599 1 4 . 1 1 3 3 MET HA H 3 4.451 4.451 3.848 0.603 18976 2600 1 4 . 1 1 3 3 MET C C 3 176.835 176.835 177.409 -0.574 18976 2601 1 4 . 1 1 3 3 MET CA C 3 55.160 55.160 57.737 -2.577 18976 2602 1 4 . 1 1 3 3 MET CB C 3 32.584 32.584 30.001 2.583 18976 2603 1 4 . 1 1 3 3 MET H H 3 8.396 8.396 8.070 0.326 18976 2604 1 4 . 1 1 4 4 ALA N N 4 123.344 123.344 121.998 1.346 18976 2605 1 4 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.996 0.064 18976 2606 1 4 . 1 1 4 4 ALA C C 4 177.922 177.922 178.127 -0.205 18976 2607 1 4 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.740 -1.190 18976 2608 1 4 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.242 0.313 18976 2609 1 4 . 1 1 4 4 ALA H H 4 8.396 8.396 8.221 0.175 18976 2610 1 4 . 1 1 5 5 ASP N N 5 116.052 116.052 116.087 -0.035 18976 2611 1 4 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.528 -0.019 18976 2612 1 4 . 1 1 5 5 ASP C C 5 176.366 176.366 177.458 -1.092 18976 2613 1 4 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.973 -1.350 18976 2614 1 4 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.763 -0.500 18976 2615 1 4 . 1 1 5 5 ASP H H 5 8.114 8.114 8.356 -0.242 18976 2616 1 4 . 1 1 6 6 GLN N N 6 117.717 117.717 117.779 -0.062 18976 2617 1 4 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.337 0.040 18976 2618 1 4 . 1 1 6 6 GLN C C 6 175.842 175.842 176.363 -0.521 18976 2619 1 4 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.965 -0.654 18976 2620 1 4 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.644 -0.054 18976 2621 1 4 . 1 1 6 6 GLN H H 6 7.935 7.935 7.877 0.058 18976 2622 1 4 . 1 1 7 7 LEU N N 7 121.086 121.086 120.248 0.838 18976 2623 1 4 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.512 0.164 18976 2624 1 4 . 1 1 7 7 LEU C C 7 177.496 177.496 176.282 1.214 18976 2625 1 4 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.084 -0.019 18976 2626 1 4 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.505 -0.237 18976 2627 1 4 . 1 1 7 7 LEU H H 7 7.713 7.713 7.682 0.031 18976 2628 1 4 . 1 1 8 8 THR N N 8 112.688 112.688 110.221 2.467 18976 2629 1 4 . 1 1 8 8 THR HA H 8 4.475 4.475 4.779 -0.304 18976 2630 1 4 . 1 1 8 8 THR C C 8 175.511 175.511 175.596 -0.085 18976 2631 1 4 . 1 1 8 8 THR CA C 8 60.256 60.256 59.483 0.773 18976 2632 1 4 . 1 1 8 8 THR CB C 8 71.019 71.019 71.933 -0.914 18976 2633 1 4 . 1 1 8 8 THR H H 8 8.800 8.800 9.056 -0.256 18976 2634 1 4 . 1 1 9 9 GLU N N 9 120.380 120.380 120.268 0.112 18976 2635 1 4 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.068 -0.088 18976 2636 1 4 . 1 1 9 9 GLU C C 9 179.492 179.492 178.757 0.735 18976 2637 1 4 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.727 0.199 18976 2638 1 4 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.331 -0.406 18976 2639 1 4 . 1 1 9 9 GLU H H 9 9.040 9.040 8.955 0.085 18976 2640 1 4 . 1 1 10 10 GLU N N 10 119.361 119.361 118.966 0.395 18976 2641 1 4 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.120 -0.046 18976 2642 1 4 . 1 1 10 10 GLU C C 10 179.185 179.185 179.297 -0.112 18976 2643 1 4 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.039 0.728 18976 2644 1 4 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.086 -0.290 18976 2645 1 4 . 1 1 10 10 GLU H H 10 8.729 8.729 7.869 0.860 18976 2646 1 4 . 1 1 11 11 GLN N N 11 120.302 120.302 118.971 1.331 18976 2647 1 4 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.174 -0.306 18976 2648 1 4 . 1 1 11 11 GLN C C 11 178.318 178.318 178.560 -0.242 18976 2649 1 4 . 1 1 11 11 GLN CA C 11 58.384 58.384 57.826 0.558 18976 2650 1 4 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.808 0.077 18976 2651 1 4 . 1 1 11 11 GLN H H 11 7.747 7.747 7.724 0.023 18976 2652 1 4 . 1 1 12 12 ILE N N 12 119.533 119.533 121.119 -1.586 18976 2653 1 4 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.124 -0.406 18976 2654 1 4 . 1 1 12 12 ILE C C 12 177.731 177.731 177.771 -0.040 18976 2655 1 4 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.408 0.551 18976 2656 1 4 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.983 -0.472 18976 2657 1 4 . 1 1 12 12 ILE H H 12 8.456 8.456 8.367 0.089 18976 2658 1 4 . 1 1 13 13 ALA N N 13 121.161 121.161 121.164 -0.003 18976 2659 1 4 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.002 0.137 18976 2660 1 4 . 1 1 13 13 ALA C C 13 181.019 181.019 179.306 1.713 18976 2661 1 4 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.420 -0.297 18976 2662 1 4 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.116 -0.613 18976 2663 1 4 . 1 1 13 13 ALA H H 13 8.018 8.018 7.921 0.097 18976 2664 1 4 . 1 1 14 14 GLU N N 14 119.619 119.619 119.752 -0.133 18976 2665 1 4 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.086 0.078 18976 2666 1 4 . 1 1 14 14 GLU C C 14 180.534 180.534 178.777 1.757 18976 2667 1 4 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.532 0.592 18976 2668 1 4 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.026 -0.173 18976 2669 1 4 . 1 1 14 14 GLU H H 14 7.792 7.792 7.850 -0.058 18976 2670 1 4 . 1 1 15 15 PHE N N 15 120.089 120.089 118.695 1.394 18976 2671 1 4 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.642 0.422 18976 2672 1 4 . 1 1 15 15 PHE C C 15 178.700 178.700 178.526 0.174 18976 2673 1 4 . 1 1 15 15 PHE CA C 15 58.857 58.857 60.991 -2.134 18976 2674 1 4 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.869 -1.393 18976 2675 1 4 . 1 1 15 15 PHE H H 15 8.587 8.587 8.155 0.432 18976 2676 1 4 . 1 1 16 16 LYS N N 16 123.715 123.715 120.187 3.528 18976 2677 1 4 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.107 -0.062 18976 2678 1 4 . 1 1 16 16 LYS C C 16 179.327 179.327 179.050 0.277 18976 2679 1 4 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.989 -0.119 18976 2680 1 4 . 1 1 16 16 LYS CB C 16 31.573 31.573 32.001 -0.428 18976 2681 1 4 . 1 1 16 16 LYS H H 16 9.256 9.256 8.508 0.748 18976 2682 1 4 . 1 1 17 17 GLU N N 17 120.262 120.262 119.599 0.663 18976 2683 1 4 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.101 0.055 18976 2684 1 4 . 1 1 17 17 GLU C C 17 179.456 179.456 178.943 0.513 18976 2685 1 4 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.252 -0.245 18976 2686 1 4 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.225 -0.416 18976 2687 1 4 . 1 1 17 17 GLU H H 17 7.774 7.774 7.845 -0.071 18976 2688 1 4 . 1 1 18 18 ALA N N 18 122.590 122.590 121.810 0.780 18976 2689 1 4 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.261 0.055 18976 2690 1 4 . 1 1 18 18 ALA C C 18 179.060 179.060 179.977 -0.917 18976 2691 1 4 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.099 -0.270 18976 2692 1 4 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.646 -0.848 18976 2693 1 4 . 1 1 18 18 ALA H H 18 8.001 8.001 8.412 -0.411 18976 2694 1 4 . 1 1 19 19 PHE N N 19 119.363 119.363 118.504 0.859 18976 2695 1 4 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.743 -0.509 18976 2696 1 4 . 1 1 19 19 PHE C C 19 177.290 177.290 177.337 -0.047 18976 2697 1 4 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.678 1.079 18976 2698 1 4 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.045 0.093 18976 2699 1 4 . 1 1 19 19 PHE H H 19 8.859 8.859 8.079 0.779 18976 2700 1 4 . 1 1 20 20 SER N N 20 112.556 112.556 114.744 -2.188 18976 2701 1 4 . 1 1 20 20 SER HA H 20 4.142 4.142 4.255 -0.113 18976 2702 1 4 . 1 1 20 20 SER C C 20 174.955 174.955 175.715 -0.760 18976 2703 1 4 . 1 1 20 20 SER CA C 20 61.007 61.007 62.511 -1.504 18976 2704 1 4 . 1 1 20 20 SER CB C 20 62.960 62.960 63.523 -0.562 18976 2705 1 4 . 1 1 20 20 SER H H 20 7.934 7.934 8.031 -0.097 18976 2706 1 4 . 1 1 21 21 LEU N N 21 120.816 120.816 117.686 3.130 18976 2707 1 4 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.195 -0.179 18976 2708 1 4 . 1 1 21 21 LEU C C 21 178.010 178.010 178.106 -0.096 18976 2709 1 4 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.531 -0.736 18976 2710 1 4 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.477 -0.345 18976 2711 1 4 . 1 1 21 21 LEU H H 21 7.434 7.434 7.645 -0.211 18976 2712 1 4 . 1 1 22 22 PHE N N 22 115.049 115.049 119.911 -4.862 18976 2713 1 4 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.306 -0.062 18976 2714 1 4 . 1 1 22 22 PHE C C 22 176.762 176.762 175.830 0.932 18976 2715 1 4 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.490 -1.470 18976 2716 1 4 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.886 0.844 18976 2717 1 4 . 1 1 22 22 PHE H H 22 7.326 7.326 7.633 -0.307 18976 2718 1 4 . 1 1 23 23 ASP N N 23 117.496 117.496 118.701 -1.205 18976 2719 1 4 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.819 -0.268 18976 2720 1 4 . 1 1 23 23 ASP C C 23 177.167 177.167 177.308 -0.141 18976 2721 1 4 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.191 -1.150 18976 2722 1 4 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.255 -1.657 18976 2723 1 4 . 1 1 23 23 ASP H H 23 7.851 7.851 8.076 -0.225 18976 2724 1 4 . 1 1 24 24 LYS N N 24 124.470 124.470 125.436 -0.966 18976 2725 1 4 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.997 -0.013 18976 2726 1 4 . 1 1 24 24 LYS C C 24 178.127 178.127 177.715 0.412 18976 2727 1 4 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.475 -0.317 18976 2728 1 4 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.080 0.303 18976 2729 1 4 . 1 1 24 24 LYS H H 24 7.687 7.687 7.978 -0.291 18976 2730 1 4 . 1 1 25 25 ASP N N 25 113.822 113.822 114.735 -0.913 18976 2731 1 4 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.498 0.108 18976 2732 1 4 . 1 1 25 25 ASP C C 25 177.687 177.687 177.383 0.304 18976 2733 1 4 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.052 -1.593 18976 2734 1 4 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.328 -1.137 18976 2735 1 4 . 1 1 25 25 ASP H H 25 8.067 8.067 7.924 0.143 18976 2736 1 4 . 1 1 26 26 GLY N N 26 109.208 109.208 109.084 0.124 18976 2737 1 4 . 1 1 26 26 GLY C C 26 175.132 175.132 175.108 0.024 18976 2738 1 4 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.036 0.838 18976 2739 1 4 . 1 1 26 26 GLY H H 26 7.698 7.698 7.685 0.013 18976 2740 1 4 . 1 1 27 27 ASP N N 27 120.603 120.603 120.046 0.557 18976 2741 1 4 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.692 -0.169 18976 2742 1 4 . 1 1 27 27 ASP C C 27 177.452 177.452 177.730 -0.278 18976 2743 1 4 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.338 0.155 18976 2744 1 4 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.509 -1.261 18976 2745 1 4 . 1 1 27 27 ASP H H 27 8.397 8.397 8.556 -0.159 18976 2746 1 4 . 1 1 28 28 GLY N N 28 113.187 113.187 109.839 3.348 18976 2747 1 4 . 1 1 28 28 GLY C C 28 173.679 173.679 173.836 -0.157 18976 2748 1 4 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.456 -0.275 18976 2749 1 4 . 1 1 28 28 GLY H H 28 10.648 10.648 8.291 2.357 18976 2750 1 4 . 1 1 29 29 THR N N 29 112.865 112.865 110.555 2.310 18976 2751 1 4 . 1 1 29 29 THR HA H 29 5.310 5.310 5.248 0.062 18976 2752 1 4 . 1 1 29 29 THR C C 29 172.872 172.872 173.649 -0.777 18976 2753 1 4 . 1 1 29 29 THR CA C 29 59.764 59.764 61.065 -1.301 18976 2754 1 4 . 1 1 29 29 THR CB C 29 72.319 72.319 71.951 0.368 18976 2755 1 4 . 1 1 29 29 THR H H 29 8.144 8.144 8.449 -0.305 18976 2756 1 4 . 1 1 30 30 ILE N N 30 127.035 127.035 127.420 -0.385 18976 2757 1 4 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.583 0.397 18976 2758 1 4 . 1 1 30 30 ILE C C 30 176.072 176.072 176.427 -0.355 18976 2759 1 4 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.603 -0.459 18976 2760 1 4 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.404 1.899 18976 2761 1 4 . 1 1 30 30 ILE H H 30 9.821 9.821 8.899 0.922 18976 2762 1 4 . 1 1 31 31 THR N N 31 116.509 116.509 118.861 -2.352 18976 2763 1 4 . 1 1 31 31 THR HA H 31 4.800 4.800 4.727 0.073 18976 2764 1 4 . 1 1 31 31 THR C C 31 176.542 176.542 176.441 0.101 18976 2765 1 4 . 1 1 31 31 THR CA C 31 59.396 59.396 60.697 -1.301 18976 2766 1 4 . 1 1 31 31 THR CB C 31 72.162 72.162 70.379 1.783 18976 2767 1 4 . 1 1 31 31 THR H H 31 8.469 8.469 8.871 -0.402 18976 2768 1 4 . 1 1 32 32 THR N N 32 112.790 112.790 113.557 -0.767 18976 2769 1 4 . 1 1 32 32 THR HA H 32 3.803 3.803 3.927 -0.124 18976 2770 1 4 . 1 1 32 32 THR C C 32 177.188 177.188 176.526 0.662 18976 2771 1 4 . 1 1 32 32 THR CA C 32 66.253 66.253 66.694 -0.441 18976 2772 1 4 . 1 1 32 32 THR CB C 32 67.459 67.459 68.302 -0.843 18976 2773 1 4 . 1 1 32 32 THR H H 32 9.128 9.128 8.998 0.130 18976 2774 1 4 . 1 1 33 33 LYS N N 33 120.844 120.844 121.269 -0.425 18976 2775 1 4 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.957 0.191 18976 2776 1 4 . 1 1 33 33 LYS C C 33 179.880 179.880 178.599 1.281 18976 2777 1 4 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.668 -0.729 18976 2778 1 4 . 1 1 33 33 LYS CB C 33 32.235 32.235 31.925 0.310 18976 2779 1 4 . 1 1 33 33 LYS H H 33 7.695 7.695 8.552 -0.857 18976 2780 1 4 . 1 1 34 34 GLU N N 34 121.463 121.463 118.982 2.481 18976 2781 1 4 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.123 -0.055 18976 2782 1 4 . 1 1 34 34 GLU C C 34 179.140 179.140 179.168 -0.028 18976 2783 1 4 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.742 0.397 18976 2784 1 4 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.648 -0.103 18976 2785 1 4 . 1 1 34 34 GLU H H 34 7.687 7.687 7.750 -0.063 18976 2786 1 4 . 1 1 35 35 LEU N N 35 120.583 120.583 120.946 -0.363 18976 2787 1 4 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.417 -0.294 18976 2788 1 4 . 1 1 35 35 LEU C C 35 178.934 178.934 179.117 -0.183 18976 2789 1 4 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.698 0.129 18976 2790 1 4 . 1 1 35 35 LEU CB C 35 42.380 42.380 40.924 1.456 18976 2791 1 4 . 1 1 35 35 LEU H H 35 8.745 8.745 7.931 0.814 18976 2792 1 4 . 1 1 36 36 GLY N N 36 128.127 128.127 105.489 22.638 18976 2793 1 4 . 1 1 36 36 GLY C C 36 175.177 175.177 176.467 -1.290 18976 2794 1 4 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.470 0.533 18976 2795 1 4 . 1 1 36 36 GLY H H 36 8.670 8.670 8.301 0.369 18976 2796 1 4 . 1 1 37 37 THR N N 37 117.925 117.925 118.785 -0.860 18976 2797 1 4 . 1 1 37 37 THR HA H 37 3.938 3.938 4.027 -0.089 18976 2798 1 4 . 1 1 37 37 THR C C 37 177.137 177.137 176.664 0.473 18976 2799 1 4 . 1 1 37 37 THR CA C 37 66.648 66.648 66.578 0.070 18976 2800 1 4 . 1 1 37 37 THR CB C 37 68.383 68.383 68.510 -0.127 18976 2801 1 4 . 1 1 37 37 THR H H 37 7.930 7.930 7.782 0.148 18976 2802 1 4 . 1 1 38 38 VAL N N 38 122.046 122.046 121.384 0.662 18976 2803 1 4 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.596 -0.073 18976 2804 1 4 . 1 1 38 38 VAL C C 38 179.243 179.243 178.289 0.954 18976 2805 1 4 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.801 0.161 18976 2806 1 4 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.352 0.718 18976 2807 1 4 . 1 1 38 38 VAL H H 38 7.643 7.643 7.221 0.422 18976 2808 1 4 . 1 1 39 39 MET N N 39 118.442 118.442 117.146 1.296 18976 2809 1 4 . 1 1 39 39 MET HA H 39 4.133 4.133 4.083 0.050 18976 2810 1 4 . 1 1 39 39 MET C C 39 179.125 179.125 178.305 0.820 18976 2811 1 4 . 1 1 39 39 MET CA C 39 58.886 58.886 59.014 -0.128 18976 2812 1 4 . 1 1 39 39 MET CB C 39 31.211 31.211 32.148 -0.937 18976 2813 1 4 . 1 1 39 39 MET H H 39 8.497 8.497 7.983 0.514 18976 2814 1 4 . 1 1 40 40 ARG N N 40 118.929 118.929 120.503 -1.574 18976 2815 1 4 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.363 0.470 18976 2816 1 4 . 1 1 40 40 ARG C C 40 181.224 181.224 179.275 1.949 18976 2817 1 4 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.242 -0.356 18976 2818 1 4 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.070 -1.235 18976 2819 1 4 . 1 1 40 40 ARG H H 40 8.536 8.536 7.879 0.657 18976 2820 1 4 . 1 1 41 41 SER N N 41 118.832 118.832 116.376 2.456 18976 2821 1 4 . 1 1 41 41 SER HA H 41 4.425 4.425 4.247 0.178 18976 2822 1 4 . 1 1 41 41 SER C C 41 174.839 174.839 175.676 -0.837 18976 2823 1 4 . 1 1 41 41 SER CA C 41 61.249 61.249 61.053 0.196 18976 2824 1 4 . 1 1 41 41 SER CB C 41 62.464 62.464 63.103 -0.639 18976 2825 1 4 . 1 1 41 41 SER H H 41 7.925 7.925 7.639 0.286 18976 2826 1 4 . 1 1 42 42 LEU N N 42 120.676 120.676 120.116 0.560 18976 2827 1 4 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.422 0.095 18976 2828 1 4 . 1 1 42 42 LEU C C 42 177.540 177.540 176.801 0.739 18976 2829 1 4 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.532 -0.300 18976 2830 1 4 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.540 0.130 18976 2831 1 4 . 1 1 42 42 LEU H H 42 7.395 7.395 7.432 -0.037 18976 2832 1 4 . 1 1 43 43 GLY N N 43 106.840 106.840 107.849 -1.009 18976 2833 1 4 . 1 1 43 43 GLY C C 43 174.384 174.384 174.008 0.376 18976 2834 1 4 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.063 0.245 18976 2835 1 4 . 1 1 43 43 GLY H H 43 7.885 7.885 7.619 0.266 18976 2836 1 4 . 1 1 44 44 GLN N N 44 118.414 118.414 118.597 -0.183 18976 2837 1 4 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.568 -0.066 18976 2838 1 4 . 1 1 44 44 GLN C C 44 174.134 174.134 174.907 -0.773 18976 2839 1 4 . 1 1 44 44 GLN CA C 44 54.184 54.184 53.898 0.286 18976 2840 1 4 . 1 1 44 44 GLN CB C 44 30.274 30.274 32.089 -1.815 18976 2841 1 4 . 1 1 44 44 GLN H H 44 7.805 7.805 7.776 0.029 18976 2842 1 4 . 1 1 45 45 ASN N N 45 116.265 116.265 120.597 -4.332 18976 2843 1 4 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.130 0.071 18976 2844 1 4 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.799 -0.842 18976 2845 1 4 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.472 -0.563 18976 2846 1 4 . 1 1 45 45 ASN H H 45 8.733 8.733 8.616 0.117 18976 2847 1 4 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.593 0.194 18976 2848 1 4 . 1 1 46 46 PRO C C 46 177.745 177.745 176.063 1.682 18976 2849 1 4 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.472 -0.367 18976 2850 1 4 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.554 -0.851 18976 2851 1 4 . 1 1 47 47 THR N N 47 112.958 112.958 114.931 -1.973 18976 2852 1 4 . 1 1 47 47 THR HA H 47 4.451 4.451 4.477 -0.026 18976 2853 1 4 . 1 1 47 47 THR C C 47 175.159 175.159 175.777 -0.618 18976 2854 1 4 . 1 1 47 47 THR CA C 47 60.078 60.078 59.978 0.100 18976 2855 1 4 . 1 1 47 47 THR CB C 47 71.001 71.001 70.969 0.032 18976 2856 1 4 . 1 1 47 47 THR H H 47 8.767 8.767 8.257 0.510 18976 2857 1 4 . 1 1 48 48 GLU N N 48 120.607 120.607 127.296 -6.689 18976 2858 1 4 . 1 1 48 48 GLU HA H 48 4.006 4.006 4.010 -0.004 18976 2859 1 4 . 1 1 48 48 GLU C C 48 178.949 178.949 177.106 1.843 18976 2860 1 4 . 1 1 48 48 GLU CA C 48 59.741 59.741 58.972 0.769 18976 2861 1 4 . 1 1 48 48 GLU CB C 48 28.692 28.692 28.825 -0.133 18976 2862 1 4 . 1 1 48 48 GLU H H 48 8.824 8.824 8.982 -0.158 18976 2863 1 4 . 1 1 49 49 ALA N N 49 120.678 120.678 122.842 -2.164 18976 2864 1 4 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.034 0.085 18976 2865 1 4 . 1 1 49 49 ALA C C 49 180.226 180.226 179.908 0.318 18976 2866 1 4 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.961 -0.245 18976 2867 1 4 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.070 -0.197 18976 2868 1 4 . 1 1 49 49 ALA H H 49 8.279 8.279 7.633 0.646 18976 2869 1 4 . 1 1 50 50 GLU N N 50 118.703 118.703 118.329 0.374 18976 2870 1 4 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.108 -0.056 18976 2871 1 4 . 1 1 50 50 GLU C C 50 180.182 180.182 179.139 1.043 18976 2872 1 4 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.822 0.035 18976 2873 1 4 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.212 0.156 18976 2874 1 4 . 1 1 50 50 GLU H H 50 7.712 7.712 7.876 -0.164 18976 2875 1 4 . 1 1 51 51 LEU N N 51 120.420 120.420 117.686 2.734 18976 2876 1 4 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.191 -0.097 18976 2877 1 4 . 1 1 51 51 LEU C C 51 178.494 178.494 179.249 -0.755 18976 2878 1 4 . 1 1 51 51 LEU CA C 51 57.679 57.679 55.803 1.876 18976 2879 1 4 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.173 1.883 18976 2880 1 4 . 1 1 51 51 LEU H H 51 8.192 8.192 7.497 0.695 18976 2881 1 4 . 1 1 52 52 GLN N N 52 118.200 118.200 119.748 -1.548 18976 2882 1 4 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.032 -0.194 18976 2883 1 4 . 1 1 52 52 GLN C C 52 178.518 178.518 177.638 0.880 18976 2884 1 4 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.897 -0.700 18976 2885 1 4 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.034 -0.130 18976 2886 1 4 . 1 1 52 52 GLN H H 52 8.212 8.212 7.841 0.371 18976 2887 1 4 . 1 1 53 53 ASP N N 53 119.922 119.922 120.009 -0.087 18976 2888 1 4 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.439 -0.009 18976 2889 1 4 . 1 1 53 53 ASP C C 53 178.635 178.635 178.354 0.281 18976 2890 1 4 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.114 0.148 18976 2891 1 4 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.844 -0.882 18976 2892 1 4 . 1 1 53 53 ASP H H 53 8.108 8.108 7.733 0.375 18976 2893 1 4 . 1 1 54 54 MET N N 54 119.290 119.290 116.455 2.835 18976 2894 1 4 . 1 1 54 54 MET HA H 54 4.044 4.044 4.658 -0.614 18976 2895 1 4 . 1 1 54 54 MET C C 54 178.876 178.876 177.709 1.167 18976 2896 1 4 . 1 1 54 54 MET CA C 54 59.108 59.108 58.688 0.420 18976 2897 1 4 . 1 1 54 54 MET CB C 54 32.930 32.930 32.770 0.160 18976 2898 1 4 . 1 1 54 54 MET H H 54 7.865 7.865 7.537 0.328 18976 2899 1 4 . 1 1 55 55 ILE N N 55 118.056 118.056 121.009 -2.953 18976 2900 1 4 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.586 -0.071 18976 2901 1 4 . 1 1 55 55 ILE C C 55 177.760 177.760 177.619 0.141 18976 2902 1 4 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.860 -0.380 18976 2903 1 4 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.107 -1.127 18976 2904 1 4 . 1 1 55 55 ILE H H 55 7.710 7.710 7.144 0.566 18976 2905 1 4 . 1 1 56 56 ASN N N 56 117.688 117.688 116.249 1.439 18976 2906 1 4 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.402 -0.010 18976 2907 1 4 . 1 1 56 56 ASN C C 56 177.393 177.393 176.699 0.694 18976 2908 1 4 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.958 -0.372 18976 2909 1 4 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.246 -0.591 18976 2910 1 4 . 1 1 56 56 ASN H H 56 8.606 8.606 8.037 0.569 18976 2911 1 4 . 1 1 57 57 GLU N N 57 116.316 116.316 117.745 -1.429 18976 2912 1 4 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.080 -0.037 18976 2913 1 4 . 1 1 57 57 GLU C C 57 177.569 177.569 178.556 -0.987 18976 2914 1 4 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.692 -0.060 18976 2915 1 4 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.102 -0.003 18976 2916 1 4 . 1 1 57 57 GLU H H 57 7.580 7.580 7.662 -0.082 18976 2917 1 4 . 1 1 58 58 VAL N N 58 108.390 108.390 112.255 -3.865 18976 2918 1 4 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.075 0.407 18976 2919 1 4 . 1 1 58 58 VAL C C 58 175.749 175.749 175.478 0.271 18976 2920 1 4 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.361 -1.944 18976 2921 1 4 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.443 -0.077 18976 2922 1 4 . 1 1 58 58 VAL H H 58 7.219 7.219 7.411 -0.192 18976 2923 1 4 . 1 1 59 59 ASP N N 59 121.728 121.728 120.952 0.776 18976 2924 1 4 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.776 -0.134 18976 2925 1 4 . 1 1 59 59 ASP C C 59 176.219 176.219 175.839 0.380 18976 2926 1 4 . 1 1 59 59 ASP CA C 59 53.468 53.468 53.665 -0.197 18976 2927 1 4 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.529 -1.663 18976 2928 1 4 . 1 1 59 59 ASP H H 59 7.674 7.674 7.817 -0.143 18976 2929 1 4 . 1 1 60 60 ALA N N 60 109.214 109.214 129.626 -20.412 18976 2930 1 4 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.123 0.093 18976 2931 1 4 . 1 1 60 60 ALA C C 60 178.626 178.626 178.571 0.055 18976 2932 1 4 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.220 -0.235 18976 2933 1 4 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.566 -0.420 18976 2934 1 4 . 1 1 60 60 ALA H H 60 8.481 8.481 8.336 0.145 18976 2935 1 4 . 1 1 61 61 ASP N N 61 113.667 113.667 116.555 -2.888 18976 2936 1 4 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.452 0.171 18976 2937 1 4 . 1 1 61 61 ASP C C 61 177.848 177.848 177.836 0.012 18976 2938 1 4 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.269 -1.858 18976 2939 1 4 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.852 -1.302 18976 2940 1 4 . 1 1 61 61 ASP H H 61 8.158 8.158 8.031 0.127 18976 2941 1 4 . 1 1 62 62 GLY N N 62 108.314 108.314 109.745 -1.431 18976 2942 1 4 . 1 1 62 62 GLY C C 62 174.933 174.933 174.698 0.235 18976 2943 1 4 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.579 1.363 18976 2944 1 4 . 1 1 62 62 GLY H H 62 7.585 7.585 8.374 -0.789 18976 2945 1 4 . 1 1 63 63 ASN N N 63 118.384 118.384 119.465 -1.081 18976 2946 1 4 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.795 -0.138 18976 2947 1 4 . 1 1 63 63 ASN C C 63 176.835 176.835 176.486 0.349 18976 2948 1 4 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.572 -0.349 18976 2949 1 4 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.774 -2.408 18976 2950 1 4 . 1 1 63 63 ASN H H 63 8.086 8.086 8.398 -0.312 18976 2951 1 4 . 1 1 64 64 GLY N N 64 113.412 113.412 110.287 3.125 18976 2952 1 4 . 1 1 64 64 GLY C C 64 173.254 173.254 173.108 0.146 18976 2953 1 4 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.351 0.046 18976 2954 1 4 . 1 1 64 64 GLY H H 64 10.618 10.618 8.234 2.384 18976 2955 1 4 . 1 1 65 65 THR N N 65 108.877 108.877 113.909 -5.032 18976 2956 1 4 . 1 1 65 65 THR HA H 65 4.766 4.766 4.622 0.144 18976 2957 1 4 . 1 1 65 65 THR C C 65 173.195 173.195 173.138 0.057 18976 2958 1 4 . 1 1 65 65 THR CA C 65 59.301 59.301 60.923 -1.622 18976 2959 1 4 . 1 1 65 65 THR CB C 65 71.695 71.695 72.573 -0.878 18976 2960 1 4 . 1 1 65 65 THR H H 65 7.684 7.684 8.013 -0.329 18976 2961 1 4 . 1 1 66 66 ILE N N 66 123.673 123.673 124.120 -0.447 18976 2962 1 4 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.369 0.821 18976 2963 1 4 . 1 1 66 66 ILE C C 66 175.529 175.529 175.063 0.466 18976 2964 1 4 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.322 -1.638 18976 2965 1 4 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.050 0.367 18976 2966 1 4 . 1 1 66 66 ILE H H 66 8.912 8.912 8.479 0.433 18976 2967 1 4 . 1 1 67 67 ASP N N 67 128.135 128.135 126.625 1.510 18976 2968 1 4 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.047 0.337 18976 2969 1 4 . 1 1 67 67 ASP C C 67 176.322 176.322 176.725 -0.403 18976 2970 1 4 . 1 1 67 67 ASP CA C 67 51.843 51.843 52.852 -1.009 18976 2971 1 4 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.659 -1.872 18976 2972 1 4 . 1 1 67 67 ASP H H 67 8.824 8.824 8.563 0.261 18976 2973 1 4 . 1 1 68 68 PHE N N 68 118.627 118.627 119.746 -1.119 18976 2974 1 4 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.640 -0.616 18976 2975 1 4 . 1 1 68 68 PHE CA C 68 63.170 63.170 61.850 1.320 18976 2976 1 4 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.482 -1.881 18976 2977 1 4 . 1 1 68 68 PHE H H 68 8.943 8.943 8.860 0.083 18976 2978 1 4 . 1 1 69 69 PRO HA H 69 3.876 3.876 4.044 -0.168 18976 2979 1 4 . 1 1 69 69 PRO C C 69 180.037 180.037 178.622 1.415 18976 2980 1 4 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.446 0.946 18976 2981 1 4 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.076 -0.702 18976 2982 1 4 . 1 1 70 70 GLU N N 70 117.615 117.615 117.974 -0.359 18976 2983 1 4 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.076 0.032 18976 2984 1 4 . 1 1 70 70 GLU C C 70 178.773 178.773 178.592 0.181 18976 2985 1 4 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.952 -0.386 18976 2986 1 4 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.056 -0.030 18976 2987 1 4 . 1 1 70 70 GLU H H 70 7.969 7.969 8.396 -0.427 18976 2988 1 4 . 1 1 71 71 PHE N N 71 123.460 123.460 121.822 1.638 18976 2989 1 4 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.158 -0.184 18976 2990 1 4 . 1 1 71 71 PHE C C 71 177.041 177.041 176.464 0.577 18976 2991 1 4 . 1 1 71 71 PHE CA C 71 61.027 61.027 60.869 0.158 18976 2992 1 4 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.372 0.335 18976 2993 1 4 . 1 1 71 71 PHE H H 71 8.861 8.861 7.934 0.927 18976 2994 1 4 . 1 1 72 72 LEU N N 72 118.749 118.749 120.107 -1.358 18976 2995 1 4 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.256 0.112 18976 2996 1 4 . 1 1 72 72 LEU C C 72 178.949 178.949 179.065 -0.116 18976 2997 1 4 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.731 -0.135 18976 2998 1 4 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.099 0.643 18976 2999 1 4 . 1 1 72 72 LEU H H 72 8.411 8.411 7.975 0.436 18976 3000 1 4 . 1 1 73 73 THR N N 73 115.213 115.213 113.047 2.166 18976 3001 1 4 . 1 1 73 73 THR HA H 73 3.753 3.753 3.895 -0.142 18976 3002 1 4 . 1 1 73 73 THR C C 73 175.955 175.955 177.085 -1.130 18976 3003 1 4 . 1 1 73 73 THR CA C 73 66.313 66.313 65.394 0.919 18976 3004 1 4 . 1 1 73 73 THR CB C 73 68.075 68.075 68.576 -0.502 18976 3005 1 4 . 1 1 73 73 THR H H 73 7.522 7.522 7.408 0.114 18976 3006 1 4 . 1 1 74 74 MET N N 74 121.455 121.455 122.541 -1.086 18976 3007 1 4 . 1 1 74 74 MET HA H 74 3.773 3.773 4.113 -0.340 18976 3008 1 4 . 1 1 74 74 MET C C 74 178.098 178.098 178.219 -0.121 18976 3009 1 4 . 1 1 74 74 MET CA C 74 58.603 58.603 58.351 0.252 18976 3010 1 4 . 1 1 74 74 MET CB C 74 32.905 32.905 31.892 1.013 18976 3011 1 4 . 1 1 74 74 MET H H 74 7.783 7.783 7.498 0.285 18976 3012 1 4 . 1 1 75 75 MET N N 75 116.557 116.557 116.809 -0.252 18976 3013 1 4 . 1 1 75 75 MET HA H 75 3.998 3.998 4.242 -0.244 18976 3014 1 4 . 1 1 75 75 MET C C 75 178.700 178.700 177.762 0.938 18976 3015 1 4 . 1 1 75 75 MET CA C 75 55.472 55.472 57.413 -1.941 18976 3016 1 4 . 1 1 75 75 MET CB C 75 30.693 30.693 30.873 -0.180 18976 3017 1 4 . 1 1 75 75 MET H H 75 8.077 8.077 7.907 0.170 18976 3018 1 4 . 1 1 76 76 ALA N N 76 122.410 122.410 121.391 1.019 18976 3019 1 4 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.071 0.018 18976 3020 1 4 . 1 1 76 76 ALA C C 76 179.683 179.683 179.419 0.264 18976 3021 1 4 . 1 1 76 76 ALA CA C 76 54.376 54.376 53.566 0.810 18976 3022 1 4 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.131 -0.352 18976 3023 1 4 . 1 1 76 76 ALA H H 76 8.303 8.303 7.386 0.917 18976 3024 1 4 . 1 1 77 77 ARG N N 77 116.451 116.451 116.956 -0.505 18976 3025 1 4 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.113 -0.011 18976 3026 1 4 . 1 1 77 77 ARG C C 77 177.701 177.701 177.481 0.220 18976 3027 1 4 . 1 1 77 77 ARG CA C 77 58.042 58.042 57.612 0.430 18976 3028 1 4 . 1 1 77 77 ARG CB C 77 30.008 30.008 29.676 0.332 18976 3029 1 4 . 1 1 77 77 ARG H H 77 7.622 7.622 7.414 0.208 18976 3030 1 4 . 1 1 78 78 LYS N N 78 118.021 118.021 116.893 1.128 18976 3031 1 4 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.845 -0.606 18976 3032 1 4 . 1 1 78 78 LYS C C 78 177.525 177.525 176.746 0.779 18976 3033 1 4 . 1 1 78 78 LYS CA C 78 56.721 56.721 55.226 1.495 18976 3034 1 4 . 1 1 78 78 LYS CB C 78 32.213 32.213 33.159 -0.946 18976 3035 1 4 . 1 1 78 78 LYS H H 78 7.577 7.577 7.381 0.196 18976 3036 1 4 . 1 1 79 79 MET N N 79 118.929 118.929 120.900 -1.971 18976 3037 1 4 . 1 1 79 79 MET HA H 79 4.351 4.351 4.315 0.036 18976 3038 1 4 . 1 1 79 79 MET C C 79 176.322 176.322 177.618 -1.296 18976 3039 1 4 . 1 1 79 79 MET CA C 79 56.345 56.345 58.014 -1.669 18976 3040 1 4 . 1 1 79 79 MET CB C 79 32.946 32.946 32.302 0.644 18976 3041 1 4 . 1 1 79 79 MET H H 79 7.772 7.772 7.742 0.030 18976 3042 1 4 . 1 1 80 80 LYS N N 80 120.686 120.686 118.974 1.712 18976 3043 1 4 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.049 0.278 18976 3044 1 4 . 1 1 80 80 LYS C C 80 176.395 176.395 177.249 -0.854 18976 3045 1 4 . 1 1 80 80 LYS CA C 80 56.144 56.144 58.930 -2.786 18976 3046 1 4 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.476 1.332 18976 3047 1 4 . 1 1 80 80 LYS H H 80 7.955 7.955 8.184 -0.229 18976 3048 1 4 . 1 1 81 81 ASP N N 81 121.721 121.721 117.005 4.716 18976 3049 1 4 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.508 0.181 18976 3050 1 4 . 1 1 81 81 ASP C C 81 176.644 176.644 178.655 -2.011 18976 3051 1 4 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.211 -2.925 18976 3052 1 4 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.691 0.102 18976 3053 1 4 . 1 1 81 81 ASP H H 81 8.341 8.341 7.642 0.699 18976 3054 1 4 . 1 1 82 82 THR N N 82 114.594 114.594 110.803 3.791 18976 3055 1 4 . 1 1 82 82 THR HA H 82 4.323 4.323 4.158 0.165 18976 3056 1 4 . 1 1 82 82 THR C C 82 174.584 174.584 175.753 -1.169 18976 3057 1 4 . 1 1 82 82 THR CA C 82 61.955 61.955 64.472 -2.516 18976 3058 1 4 . 1 1 82 82 THR CB C 82 69.586 69.586 68.749 0.837 18976 3059 1 4 . 1 1 82 82 THR H H 82 8.123 8.123 7.607 0.516 18976 3060 1 4 . 1 1 83 83 ASP N N 83 123.126 123.126 121.358 1.768 18976 3061 1 4 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.807 -0.108 18976 3062 1 4 . 1 1 83 83 ASP C C 83 176.674 176.674 176.937 -0.263 18976 3063 1 4 . 1 1 83 83 ASP CA C 83 54.491 54.491 52.681 1.810 18976 3064 1 4 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.387 0.653 18976 3065 1 4 . 1 1 83 83 ASP H H 83 8.439 8.439 7.848 0.591 18976 3066 1 4 . 1 1 84 84 SER N N 84 116.982 116.982 116.000 0.982 18976 3067 1 4 . 1 1 84 84 SER HA H 84 4.458 4.458 4.040 0.418 18976 3068 1 4 . 1 1 84 84 SER C C 84 175.393 175.393 176.236 -0.843 18976 3069 1 4 . 1 1 84 84 SER CA C 84 58.943 58.943 61.729 -2.786 18976 3070 1 4 . 1 1 84 84 SER CB C 84 63.550 63.550 63.279 0.271 18976 3071 1 4 . 1 1 84 84 SER H H 84 8.418 8.418 7.641 0.777 18976 3072 1 4 . 1 1 85 85 GLU N N 85 122.632 122.632 121.242 1.390 18976 3073 1 4 . 1 1 85 85 GLU HA H 85 4.211 4.211 3.992 0.219 18976 3074 1 4 . 1 1 85 85 GLU C C 85 177.716 177.716 178.851 -1.135 18976 3075 1 4 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.062 -0.523 18976 3076 1 4 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.767 0.460 18976 3077 1 4 . 1 1 85 85 GLU H H 85 8.504 8.504 8.431 0.073 18976 3078 1 4 . 1 1 86 86 GLU N N 86 119.077 119.077 119.969 -0.892 18976 3079 1 4 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.128 -0.067 18976 3080 1 4 . 1 1 86 86 GLU C C 86 178.885 178.885 178.908 -0.023 18976 3081 1 4 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.462 0.903 18976 3082 1 4 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.415 -0.350 18976 3083 1 4 . 1 1 86 86 GLU H H 86 8.333 8.333 7.790 0.543 18976 3084 1 4 . 1 1 87 87 GLU N N 87 119.138 119.138 120.991 -1.853 18976 3085 1 4 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.097 0.049 18976 3086 1 4 . 1 1 87 87 GLU C C 87 179.823 179.823 178.968 0.855 18976 3087 1 4 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.001 -0.091 18976 3088 1 4 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.334 -0.068 18976 3089 1 4 . 1 1 87 87 GLU H H 87 8.130 8.130 7.703 0.427 18976 3090 1 4 . 1 1 88 88 LEU N N 88 122.103 122.103 120.558 1.545 18976 3091 1 4 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.144 0.247 18976 3092 1 4 . 1 1 88 88 LEU C C 88 178.905 178.905 178.637 0.268 18976 3093 1 4 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.871 -0.155 18976 3094 1 4 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.983 -0.122 18976 3095 1 4 . 1 1 88 88 LEU H H 88 8.152 8.152 8.370 -0.218 18976 3096 1 4 . 1 1 89 89 ARG N N 89 120.092 120.092 118.495 1.597 18976 3097 1 4 . 1 1 89 89 ARG HA H 89 4.050 4.050 3.893 0.157 18976 3098 1 4 . 1 1 89 89 ARG C C 89 179.507 179.507 178.768 0.739 18976 3099 1 4 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.838 -0.427 18976 3100 1 4 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.757 -0.297 18976 3101 1 4 . 1 1 89 89 ARG H H 89 8.499 8.499 8.035 0.464 18976 3102 1 4 . 1 1 90 90 GLU N N 90 119.315 119.315 119.042 0.273 18976 3103 1 4 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.149 0.018 18976 3104 1 4 . 1 1 90 90 GLU C C 90 178.068 178.068 177.906 0.162 18976 3105 1 4 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.088 -0.498 18976 3106 1 4 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.258 -0.329 18976 3107 1 4 . 1 1 90 90 GLU H H 90 8.040 8.040 7.935 0.105 18976 3108 1 4 . 1 1 91 91 ALA N N 91 121.794 121.794 121.475 0.319 18976 3109 1 4 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.313 -0.102 18976 3110 1 4 . 1 1 91 91 ALA C C 91 179.855 179.855 179.728 0.127 18976 3111 1 4 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.577 0.150 18976 3112 1 4 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.428 -0.858 18976 3113 1 4 . 1 1 91 91 ALA H H 91 7.996 7.996 7.383 0.613 18976 3114 1 4 . 1 1 92 92 PHE N N 92 119.368 119.368 120.300 -0.932 18976 3115 1 4 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.929 -0.799 18976 3116 1 4 . 1 1 92 92 PHE C C 92 176.454 176.454 176.851 -0.397 18976 3117 1 4 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.951 0.281 18976 3118 1 4 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.140 -0.213 18976 3119 1 4 . 1 1 92 92 PHE H H 92 8.360 8.360 8.702 -0.342 18976 3120 1 4 . 1 1 93 93 ARG N N 93 117.178 117.178 119.429 -2.251 18976 3121 1 4 . 1 1 93 93 ARG HA H 93 3.865 3.865 4.024 -0.159 18976 3122 1 4 . 1 1 93 93 ARG C C 93 178.421 178.421 177.950 0.471 18976 3123 1 4 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.506 -0.665 18976 3124 1 4 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.254 -0.348 18976 3125 1 4 . 1 1 93 93 ARG H H 93 7.895 7.895 7.656 0.239 18976 3126 1 4 . 1 1 94 94 VAL N N 94 115.719 115.719 117.248 -1.529 18976 3127 1 4 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.795 -0.195 18976 3128 1 4 . 1 1 94 94 VAL C C 94 177.334 177.334 177.863 -0.529 18976 3129 1 4 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.385 -0.353 18976 3130 1 4 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.558 -0.014 18976 3131 1 4 . 1 1 94 94 VAL H H 94 7.541 7.541 7.404 0.137 18976 3132 1 4 . 1 1 95 95 GLU N N 95 117.921 117.921 116.422 1.499 18976 3133 1 4 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.083 -0.075 18976 3134 1 4 . 1 1 95 95 GLU C C 95 176.953 176.953 176.552 0.401 18976 3135 1 4 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.240 0.015 18976 3136 1 4 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.222 -1.535 18976 3137 1 4 . 1 1 95 95 GLU H H 95 7.011 7.011 7.524 -0.513 18976 3138 1 4 . 1 1 96 96 ASP N N 96 117.365 117.365 118.529 -1.164 18976 3139 1 4 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.851 -0.401 18976 3140 1 4 . 1 1 96 96 ASP C C 96 177.202 177.202 176.490 0.712 18976 3141 1 4 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.760 -1.287 18976 3142 1 4 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.542 -2.468 18976 3143 1 4 . 1 1 96 96 ASP H H 96 7.626 7.626 7.838 -0.212 18976 3144 1 4 . 1 1 97 97 LYS N N 97 124.733 124.733 125.073 -0.340 18976 3145 1 4 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.119 -0.218 18976 3146 1 4 . 1 1 97 97 LYS C C 97 178.333 178.333 177.895 0.438 18976 3147 1 4 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.962 0.643 18976 3148 1 4 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.683 -0.253 18976 3149 1 4 . 1 1 97 97 LYS H H 97 7.357 7.357 8.334 -0.977 18976 3150 1 4 . 1 1 98 98 ASP N N 98 114.048 114.048 115.412 -1.364 18976 3151 1 4 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.511 0.057 18976 3152 1 4 . 1 1 98 98 ASP C C 98 177.775 177.775 177.587 0.188 18976 3153 1 4 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.180 -1.523 18976 3154 1 4 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.604 -1.011 18976 3155 1 4 . 1 1 98 98 ASP H H 98 8.352 8.352 7.882 0.470 18976 3156 1 4 . 1 1 99 99 GLY N N 99 109.454 109.454 109.763 -0.309 18976 3157 1 4 . 1 1 99 99 GLY C C 99 175.082 175.082 174.740 0.342 18976 3158 1 4 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.765 1.062 18976 3159 1 4 . 1 1 99 99 GLY H H 99 7.828 7.828 8.034 -0.206 18976 3160 1 4 . 1 1 100 100 ASN N N 100 119.607 119.607 118.235 1.372 18976 3161 1 4 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.790 -0.155 18976 3162 1 4 . 1 1 100 100 ASN C C 100 175.969 175.969 176.429 -0.460 18976 3163 1 4 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.193 -0.709 18976 3164 1 4 . 1 1 100 100 ASN CB C 100 37.881 37.881 40.259 -2.378 18976 3165 1 4 . 1 1 100 100 ASN H H 100 8.334 8.334 8.430 -0.096 18976 3166 1 4 . 1 1 101 101 GLY N N 101 113.007 113.007 107.696 5.311 18976 3167 1 4 . 1 1 101 101 GLY C C 101 172.314 172.314 172.894 -0.580 18976 3168 1 4 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.121 -0.439 18976 3169 1 4 . 1 1 101 101 GLY H H 101 10.640 10.640 8.892 1.748 18976 3170 1 4 . 1 1 102 102 TYR N N 102 115.913 115.913 118.467 -2.554 18976 3171 1 4 . 1 1 102 102 TYR HA H 102 5.186 5.186 4.968 0.218 18976 3172 1 4 . 1 1 102 102 TYR C C 102 174.736 174.736 174.894 -0.158 18976 3173 1 4 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.592 -0.930 18976 3174 1 4 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.794 2.007 18976 3175 1 4 . 1 1 102 102 TYR H H 102 7.610 7.610 8.342 -0.732 18976 3176 1 4 . 1 1 103 103 ILE N N 103 127.698 127.698 123.440 4.258 18976 3177 1 4 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.389 0.427 18976 3178 1 4 . 1 1 103 103 ILE C C 103 175.634 175.634 175.683 -0.049 18976 3179 1 4 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.003 0.435 18976 3180 1 4 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.878 -0.959 18976 3181 1 4 . 1 1 103 103 ILE H H 103 10.228 10.228 8.190 2.038 18976 3182 1 4 . 1 1 104 104 SER N N 104 123.581 123.581 120.983 2.598 18976 3183 1 4 . 1 1 104 104 SER HA H 104 4.849 4.849 5.470 -0.621 18976 3184 1 4 . 1 1 104 104 SER C C 104 175.191 175.191 175.356 -0.165 18976 3185 1 4 . 1 1 104 104 SER CA C 104 55.499 55.499 54.547 0.952 18976 3186 1 4 . 1 1 104 104 SER CB C 104 66.371 66.371 65.583 0.788 18976 3187 1 4 . 1 1 104 104 SER H H 104 8.947 8.947 7.979 0.968 18976 3188 1 4 . 1 1 105 105 ALA N N 105 122.829 122.829 124.346 -1.517 18976 3189 1 4 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.100 -0.171 18976 3190 1 4 . 1 1 105 105 ALA C C 105 179.272 179.272 178.785 0.487 18976 3191 1 4 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.266 0.395 18976 3192 1 4 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.547 -0.865 18976 3193 1 4 . 1 1 105 105 ALA H H 105 9.251 9.251 9.084 0.167 18976 3194 1 4 . 1 1 106 106 ALA N N 106 118.442 118.442 121.012 -2.570 18976 3195 1 4 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.957 0.080 18976 3196 1 4 . 1 1 106 106 ALA C C 106 181.180 181.180 179.375 1.805 18976 3197 1 4 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.834 0.007 18976 3198 1 4 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.353 -0.310 18976 3199 1 4 . 1 1 106 106 ALA H H 106 8.209 8.209 7.619 0.590 18976 3200 1 4 . 1 1 107 107 GLU N N 107 118.406 118.406 118.899 -0.493 18976 3201 1 4 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.961 0.031 18976 3202 1 4 . 1 1 107 107 GLU C C 107 179.272 179.272 179.069 0.203 18976 3203 1 4 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.263 -0.122 18976 3204 1 4 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.209 -0.453 18976 3205 1 4 . 1 1 107 107 GLU H H 107 7.752 7.752 7.870 -0.118 18976 3206 1 4 . 1 1 108 108 LEU N N 108 122.413 122.413 119.283 3.130 18976 3207 1 4 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.944 0.128 18976 3208 1 4 . 1 1 108 108 LEU C C 108 178.553 178.553 179.142 -0.589 18976 3209 1 4 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.983 -0.691 18976 3210 1 4 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.625 -0.182 18976 3211 1 4 . 1 1 108 108 LEU H H 108 8.793 8.793 8.055 0.738 18976 3212 1 4 . 1 1 109 109 ARG N N 109 118.074 118.074 118.135 -0.061 18976 3213 1 4 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.975 -0.118 18976 3214 1 4 . 1 1 109 109 ARG C C 109 179.140 179.140 178.805 0.335 18976 3215 1 4 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.803 -0.017 18976 3216 1 4 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.247 -0.423 18976 3217 1 4 . 1 1 109 109 ARG H H 109 8.421 8.421 8.002 0.419 18976 3218 1 4 . 1 1 110 110 ILE N N 110 120.191 120.191 115.884 4.307 18976 3219 1 4 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.215 -0.427 18976 3220 1 4 . 1 1 110 110 ILE C C 110 177.804 177.804 177.763 0.041 18976 3221 1 4 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.400 1.153 18976 3222 1 4 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.895 0.163 18976 3223 1 4 . 1 1 110 110 ILE H H 110 7.401 7.401 7.473 -0.072 18976 3224 1 4 . 1 1 111 111 VAL N N 111 120.330 120.330 122.887 -2.557 18976 3225 1 4 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.757 0.006 18976 3226 1 4 . 1 1 111 111 VAL C C 111 178.802 178.802 178.109 0.693 18976 3227 1 4 . 1 1 111 111 VAL CA C 111 65.690 65.690 66.601 -0.911 18976 3228 1 4 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.866 -0.274 18976 3229 1 4 . 1 1 111 111 VAL H H 111 7.907 7.907 8.186 -0.279 18976 3230 1 4 . 1 1 112 112 MET N N 112 116.794 116.794 116.861 -0.067 18976 3231 1 4 . 1 1 112 112 MET HA H 112 4.396 4.396 4.241 0.155 18976 3232 1 4 . 1 1 112 112 MET C C 112 178.890 178.890 178.620 0.270 18976 3233 1 4 . 1 1 112 112 MET CA C 112 56.719 56.719 56.635 0.084 18976 3234 1 4 . 1 1 112 112 MET CB C 112 30.384 30.384 30.916 -0.532 18976 3235 1 4 . 1 1 112 112 MET H H 112 8.355 8.355 7.908 0.447 18976 3236 1 4 . 1 1 113 113 THR N N 113 117.282 117.282 116.253 1.029 18976 3237 1 4 . 1 1 113 113 THR HA H 113 4.187 4.187 3.920 0.267 18976 3238 1 4 . 1 1 113 113 THR C C 113 178.112 178.112 176.376 1.736 18976 3239 1 4 . 1 1 113 113 THR CA C 113 65.902 65.902 66.251 -0.349 18976 3240 1 4 . 1 1 113 113 THR CB C 113 68.642 68.642 68.343 0.299 18976 3241 1 4 . 1 1 113 113 THR H H 113 8.314 8.314 7.778 0.536 18976 3242 1 4 . 1 1 114 114 ASN N N 114 122.220 122.220 119.377 2.843 18976 3243 1 4 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.547 0.045 18976 3244 1 4 . 1 1 114 114 ASN C C 114 176.644 176.644 176.959 -0.315 18976 3245 1 4 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.175 -0.021 18976 3246 1 4 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.459 -0.863 18976 3247 1 4 . 1 1 114 114 ASN H H 114 8.483 8.483 7.737 0.746 18976 3248 1 4 . 1 1 115 115 ARG N N 115 117.970 117.970 117.883 0.087 18976 3249 1 4 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.316 0.113 18976 3250 1 4 . 1 1 115 115 ARG C C 115 176.366 176.366 177.294 -0.928 18976 3251 1 4 . 1 1 115 115 ARG CA C 115 56.399 56.399 57.070 -0.671 18976 3252 1 4 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.386 0.114 18976 3253 1 4 . 1 1 115 115 ARG H H 115 7.776 7.776 7.849 -0.073 18976 3254 1 4 . 1 1 116 116 GLY N N 116 107.547 107.547 106.821 0.726 18976 3255 1 4 . 1 1 116 116 GLY C C 116 174.384 174.384 175.239 -0.855 18976 3256 1 4 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.846 -0.639 18976 3257 1 4 . 1 1 116 116 GLY H H 116 7.968 7.968 7.907 0.061 18976 3258 1 4 . 1 1 117 117 GLU N N 117 119.975 119.975 119.586 0.389 18976 3259 1 4 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.376 0.030 18976 3260 1 4 . 1 1 117 117 GLU C C 117 175.558 175.558 176.468 -0.910 18976 3261 1 4 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.633 0.544 18976 3262 1 4 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.343 1.057 18976 3263 1 4 . 1 1 117 117 GLU H H 117 7.934 7.934 8.283 -0.349 18976 3264 1 4 . 1 1 118 118 LYS N N 118 124.035 124.035 119.943 4.092 18976 3265 1 4 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.054 0.350 18976 3266 1 4 . 1 1 118 118 LYS C C 118 175.441 175.441 175.561 -0.120 18976 3267 1 4 . 1 1 118 118 LYS CA C 118 55.267 55.267 57.261 -1.994 18976 3268 1 4 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.471 -0.621 18976 3269 1 4 . 1 1 118 118 LYS H H 118 8.626 8.626 7.541 1.085 18976 3270 1 4 . 1 1 119 119 LEU N N 119 124.745 124.745 123.970 0.775 18976 3271 1 4 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.629 0.141 18976 3272 1 4 . 1 1 119 119 LEU C C 119 178.127 178.127 177.538 0.589 18976 3273 1 4 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.618 1.220 18976 3274 1 4 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.791 -0.468 18976 3275 1 4 . 1 1 119 119 LEU H H 119 8.140 8.140 7.963 0.176 18976 3276 1 4 . 1 1 120 120 THR N N 120 114.555 114.555 116.271 -1.716 18976 3277 1 4 . 1 1 120 120 THR HA H 120 4.477 4.477 4.220 0.257 18976 3278 1 4 . 1 1 120 120 THR C C 120 175.514 175.514 175.098 0.416 18976 3279 1 4 . 1 1 120 120 THR CA C 120 60.613 60.613 62.800 -2.187 18976 3280 1 4 . 1 1 120 120 THR CB C 120 70.902 70.902 69.673 1.229 18976 3281 1 4 . 1 1 120 120 THR H H 120 9.220 9.220 8.297 0.923 18976 3282 1 4 . 1 1 121 121 ASP N N 121 121.128 121.128 122.247 -1.119 18976 3283 1 4 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.240 -0.012 18976 3284 1 4 . 1 1 121 121 ASP C C 121 178.655 178.655 178.340 0.315 18976 3285 1 4 . 1 1 121 121 ASP CA C 121 57.752 57.752 58.052 -0.300 18976 3286 1 4 . 1 1 121 121 ASP CB C 121 39.315 39.315 41.032 -1.717 18976 3287 1 4 . 1 1 121 121 ASP H H 121 8.921 8.921 8.751 0.170 18976 3288 1 4 . 1 1 122 122 GLU N N 122 119.266 119.266 118.542 0.724 18976 3289 1 4 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.003 0.116 18976 3290 1 4 . 1 1 122 122 GLU C C 122 179.184 179.184 178.256 0.928 18976 3291 1 4 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.252 0.520 18976 3292 1 4 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.423 -0.557 18976 3293 1 4 . 1 1 122 122 GLU H H 122 8.712 8.712 8.471 0.241 18976 3294 1 4 . 1 1 123 123 GLU N N 123 120.455 120.455 117.364 3.091 18976 3295 1 4 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.370 -0.347 18976 3296 1 4 . 1 1 123 123 GLU C C 123 180.123 180.123 179.067 1.056 18976 3297 1 4 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.824 0.266 18976 3298 1 4 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.540 0.673 18976 3299 1 4 . 1 1 123 123 GLU H H 123 7.763 7.763 8.492 -0.729 18976 3300 1 4 . 1 1 124 124 VAL N N 124 121.726 121.726 115.445 6.281 18976 3301 1 4 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.784 -0.177 18976 3302 1 4 . 1 1 124 124 VAL C C 124 177.337 177.337 177.111 0.226 18976 3303 1 4 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.891 0.841 18976 3304 1 4 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.487 -0.445 18976 3305 1 4 . 1 1 124 124 VAL H H 124 8.119 8.119 7.991 0.128 18976 3306 1 4 . 1 1 125 125 ASP N N 125 119.880 119.880 119.491 0.389 18976 3307 1 4 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.450 -0.099 18976 3308 1 4 . 1 1 125 125 ASP C C 125 179.323 179.323 178.213 1.110 18976 3309 1 4 . 1 1 125 125 ASP CA C 125 57.375 57.375 56.794 0.582 18976 3310 1 4 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.967 -0.855 18976 3311 1 4 . 1 1 125 125 ASP H H 125 8.051 8.051 7.752 0.299 18976 3312 1 4 . 1 1 126 126 GLU N N 126 119.798 119.798 119.343 0.455 18976 3313 1 4 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.011 0.010 18976 3314 1 4 . 1 1 126 126 GLU C C 126 177.966 177.966 178.472 -0.506 18976 3315 1 4 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.230 -0.257 18976 3316 1 4 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.775 -0.691 18976 3317 1 4 . 1 1 126 126 GLU H H 126 8.047 8.047 7.660 0.387 18976 3318 1 4 . 1 1 127 127 MET N N 127 119.443 119.443 118.273 1.170 18976 3319 1 4 . 1 1 127 127 MET HA H 127 4.137 4.137 4.123 0.014 18976 3320 1 4 . 1 1 127 127 MET C C 127 179.859 179.859 178.736 1.123 18976 3321 1 4 . 1 1 127 127 MET CA C 127 59.137 59.137 58.812 0.325 18976 3322 1 4 . 1 1 127 127 MET CB C 127 32.239 32.239 32.253 -0.014 18976 3323 1 4 . 1 1 127 127 MET H H 127 7.795 7.795 7.311 0.484 18976 3324 1 4 . 1 1 128 128 ILE N N 128 120.667 120.667 119.115 1.552 18976 3325 1 4 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.507 0.014 18976 3326 1 4 . 1 1 128 128 ILE C C 128 177.657 177.657 177.897 -0.240 18976 3327 1 4 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.326 -1.514 18976 3328 1 4 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.587 -1.600 18976 3329 1 4 . 1 1 128 128 ILE H H 128 8.158 8.158 7.555 0.603 18976 3330 1 4 . 1 1 129 129 ARG N N 129 119.725 119.725 117.623 2.102 18976 3331 1 4 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.370 -0.301 18976 3332 1 4 . 1 1 129 129 ARG C C 129 178.920 178.920 178.350 0.570 18976 3333 1 4 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.407 1.208 18976 3334 1 4 . 1 1 129 129 ARG CB C 129 29.882 29.882 29.954 -0.072 18976 3335 1 4 . 1 1 129 129 ARG H H 129 8.270 8.270 7.438 0.832 18976 3336 1 4 . 1 1 130 130 GLU N N 130 115.236 115.236 117.789 -2.553 18976 3337 1 4 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.138 -0.044 18976 3338 1 4 . 1 1 130 130 GLU C C 130 177.349 177.349 178.056 -0.707 18976 3339 1 4 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.714 -0.813 18976 3340 1 4 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.411 0.412 18976 3341 1 4 . 1 1 130 130 GLU H H 130 7.953 7.953 7.773 0.180 18976 3342 1 4 . 1 1 131 131 THR N N 131 112.585 112.585 111.779 0.806 18976 3343 1 4 . 1 1 131 131 THR HA H 131 4.239 4.239 4.388 -0.149 18976 3344 1 4 . 1 1 131 131 THR C C 131 174.149 174.149 174.635 -0.486 18976 3345 1 4 . 1 1 131 131 THR CA C 131 62.887 62.887 62.930 -0.043 18976 3346 1 4 . 1 1 131 131 THR CB C 131 69.337 69.337 70.372 -1.035 18976 3347 1 4 . 1 1 131 131 THR H H 131 7.465 7.465 7.471 -0.006 18976 3348 1 4 . 1 1 132 132 ASP N N 132 121.237 121.237 121.839 -0.602 18976 3349 1 4 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.837 -0.359 18976 3350 1 4 . 1 1 132 132 ASP C C 132 175.777 175.777 176.970 -1.193 18976 3351 1 4 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.005 0.949 18976 3352 1 4 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.574 -2.134 18976 3353 1 4 . 1 1 132 132 ASP H H 132 8.070 8.070 8.118 -0.048 18976 3354 1 4 . 1 1 133 133 ILE N N 133 127.244 127.244 124.243 3.001 18976 3355 1 4 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.025 -0.049 18976 3356 1 4 . 1 1 133 133 ILE C C 133 177.628 177.628 176.374 1.254 18976 3357 1 4 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.615 0.251 18976 3358 1 4 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.538 -0.060 18976 3359 1 4 . 1 1 133 133 ILE H H 133 8.345 8.345 8.525 -0.180 18976 3360 1 4 . 1 1 134 134 ASP N N 134 116.893 116.893 118.341 -1.448 18976 3361 1 4 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.590 -0.057 18976 3362 1 4 . 1 1 134 134 ASP C C 134 178.259 178.259 177.334 0.925 18976 3363 1 4 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.663 -0.119 18976 3364 1 4 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.758 -0.920 18976 3365 1 4 . 1 1 134 134 ASP H H 134 8.297 8.297 7.865 0.432 18976 3366 1 4 . 1 1 135 135 GLY N N 135 108.287 108.287 108.346 -0.059 18976 3367 1 4 . 1 1 135 135 GLY C C 135 175.250 175.250 175.560 -0.310 18976 3368 1 4 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.049 1.048 18976 3369 1 4 . 1 1 135 135 GLY H H 135 7.623 7.623 8.244 -0.621 18976 3370 1 4 . 1 1 136 136 ASP N N 136 120.541 120.541 119.488 1.053 18976 3371 1 4 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.515 -0.035 18976 3372 1 4 . 1 1 136 136 ASP C C 136 177.584 177.584 177.659 -0.075 18976 3373 1 4 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.432 -0.057 18976 3374 1 4 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.870 -0.977 18976 3375 1 4 . 1 1 136 136 ASP H H 136 8.290 8.290 8.312 -0.022 18976 3376 1 4 . 1 1 137 137 GLY N N 137 112.490 112.490 108.514 3.976 18976 3377 1 4 . 1 1 137 137 GLY C C 137 172.828 172.828 173.426 -0.598 18976 3378 1 4 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.411 0.059 18976 3379 1 4 . 1 1 137 137 GLY H H 137 10.224 10.224 8.554 1.670 18976 3380 1 4 . 1 1 138 138 GLN N N 138 115.266 115.266 118.665 -3.399 18976 3381 1 4 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.320 -0.451 18976 3382 1 4 . 1 1 138 138 GLN C C 138 174.677 174.677 175.266 -0.589 18976 3383 1 4 . 1 1 138 138 GLN CA C 138 52.786 52.786 53.840 -1.054 18976 3384 1 4 . 1 1 138 138 GLN CB C 138 31.743 31.743 32.333 -0.590 18976 3385 1 4 . 1 1 138 138 GLN H H 138 7.992 7.992 8.207 -0.215 18976 3386 1 4 . 1 1 139 139 VAL N N 139 125.667 125.667 124.407 1.260 18976 3387 1 4 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.423 0.689 18976 3388 1 4 . 1 1 139 139 VAL C C 139 175.763 175.763 174.878 0.885 18976 3389 1 4 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.248 0.431 18976 3390 1 4 . 1 1 139 139 VAL CB C 139 33.532 33.532 31.676 1.856 18976 3391 1 4 . 1 1 139 139 VAL H H 139 9.227 9.227 8.576 0.651 18976 3392 1 4 . 1 1 140 140 ASN N N 140 128.431 128.431 124.490 3.941 18976 3393 1 4 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.261 0.013 18976 3394 1 4 . 1 1 140 140 ASN C C 140 175.079 175.079 176.803 -1.724 18976 3395 1 4 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.501 0.165 18976 3396 1 4 . 1 1 140 140 ASN CB C 140 38.227 38.227 40.679 -2.452 18976 3397 1 4 . 1 1 140 140 ASN H H 140 9.360 9.360 8.222 1.138 18976 3398 1 4 . 1 1 141 141 TYR N N 141 119.146 119.146 120.673 -1.527 18976 3399 1 4 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.933 -0.547 18976 3400 1 4 . 1 1 141 141 TYR C C 141 176.092 176.092 178.079 -1.987 18976 3401 1 4 . 1 1 141 141 TYR CA C 141 62.058 62.058 63.150 -1.092 18976 3402 1 4 . 1 1 141 141 TYR CB C 141 37.359 37.359 37.920 -0.561 18976 3403 1 4 . 1 1 141 141 TYR H H 141 8.451 8.451 8.169 0.282 18976 3404 1 4 . 1 1 142 142 GLU N N 142 118.431 118.431 117.803 0.628 18976 3405 1 4 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.041 -0.359 18976 3406 1 4 . 1 1 142 142 GLU C C 142 180.226 180.226 178.775 1.451 18976 3407 1 4 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.784 0.299 18976 3408 1 4 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.048 -0.502 18976 3409 1 4 . 1 1 142 142 GLU H H 142 8.097 8.097 8.727 -0.630 18976 3410 1 4 . 1 1 143 143 GLU N N 143 120.068 120.068 118.147 1.921 18976 3411 1 4 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.226 -0.236 18976 3412 1 4 . 1 1 143 143 GLU C C 143 179.060 179.060 178.168 0.892 18976 3413 1 4 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.074 0.500 18976 3414 1 4 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.356 -0.174 18976 3415 1 4 . 1 1 143 143 GLU H H 143 8.667 8.667 7.822 0.845 18976 3416 1 4 . 1 1 144 144 PHE N N 144 123.392 123.392 122.218 1.174 18976 3417 1 4 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.279 -0.312 18976 3418 1 4 . 1 1 144 144 PHE C C 144 176.982 176.982 177.898 -0.916 18976 3419 1 4 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.693 -0.247 18976 3420 1 4 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.594 0.101 18976 3421 1 4 . 1 1 144 144 PHE H H 144 8.731 8.731 8.903 -0.172 18976 3422 1 4 . 1 1 145 145 VAL N N 145 119.201 119.201 119.566 -0.365 18976 3423 1 4 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.719 -0.526 18976 3424 1 4 . 1 1 145 145 VAL C C 145 179.228 179.228 177.528 1.700 18976 3425 1 4 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.735 -0.073 18976 3426 1 4 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.605 -0.321 18976 3427 1 4 . 1 1 145 145 VAL H H 145 8.671 8.671 7.834 0.837 18976 3428 1 4 . 1 1 146 146 GLN N N 146 119.252 119.252 118.679 0.573 18976 3429 1 4 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.982 -0.066 18976 3430 1 4 . 1 1 146 146 GLN C C 146 177.825 177.825 177.916 -0.091 18976 3431 1 4 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.867 -0.300 18976 3432 1 4 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.293 -0.473 18976 3433 1 4 . 1 1 146 146 GLN H H 146 7.767 7.767 8.042 -0.275 18976 3434 1 4 . 1 1 147 147 ARG N N 147 118.529 118.529 119.083 -0.554 18976 3435 1 4 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.062 0.110 18976 3436 1 4 . 1 1 147 147 ARG C C 147 178.112 178.112 178.233 -0.121 18976 3437 1 4 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.902 -1.393 18976 3438 1 4 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.815 0.299 18976 3439 1 4 . 1 1 147 147 ARG H H 147 7.628 7.628 7.634 -0.006 18976 3440 1 4 . 1 1 148 148 MET N N 148 115.755 115.755 116.999 -1.244 18976 3441 1 4 . 1 1 148 148 MET HA H 148 4.304 4.304 4.314 -0.010 18976 3442 1 4 . 1 1 148 148 MET C C 148 177.628 177.628 177.756 -0.128 18976 3443 1 4 . 1 1 148 148 MET CA C 148 55.489 55.489 57.097 -1.608 18976 3444 1 4 . 1 1 148 148 MET CB C 148 31.773 31.773 32.542 -0.769 18976 3445 1 4 . 1 1 148 148 MET H H 148 8.003 8.003 7.934 0.069 18976 3446 1 4 . 1 1 149 149 THR N N 149 110.062 110.062 113.573 -3.511 18976 3447 1 4 . 1 1 149 149 THR HA H 149 4.349 4.349 4.231 0.118 18976 3448 1 4 . 1 1 149 149 THR C C 149 174.149 174.149 175.157 -1.008 18976 3449 1 4 . 1 1 149 149 THR CA C 149 61.775 61.775 64.118 -2.342 18976 3450 1 4 . 1 1 149 149 THR CB C 149 69.780 69.780 69.211 0.569 18976 3451 1 4 . 1 1 149 149 THR H H 149 7.682 7.682 7.888 -0.206 18976 3452 1 4 . 1 1 150 150 ALA N N 150 126.503 126.503 126.108 0.395 18976 3453 1 4 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.056 0.274 18976 3454 1 4 . 1 1 150 150 ALA CA C 150 52.535 52.535 53.068 -0.533 18976 3455 1 4 . 1 1 150 150 ALA CB C 150 18.734 18.734 19.147 -0.413 18976 3456 1 4 . 1 1 150 150 ALA H H 150 7.651 7.651 7.577 0.074 18976 3457 1 5 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.201 0.220 18976 3458 1 5 . 1 1 2 2 LEU C C 2 177.129 177.129 177.567 -0.438 18976 3459 1 5 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.365 -0.243 18976 3460 1 5 . 1 1 2 2 LEU CB C 2 42.453 42.453 42.175 0.278 18976 3461 1 5 . 1 1 2 2 LEU H H 2 8.641 8.641 8.509 0.132 18976 3462 1 5 . 1 1 3 3 MET N N 3 120.143 120.143 115.288 4.855 18976 3463 1 5 . 1 1 3 3 MET HA H 3 4.451 4.451 3.997 0.454 18976 3464 1 5 . 1 1 3 3 MET C C 3 176.835 176.835 177.649 -0.814 18976 3465 1 5 . 1 1 3 3 MET CA C 3 55.160 55.160 57.431 -2.272 18976 3466 1 5 . 1 1 3 3 MET CB C 3 32.584 32.584 30.258 2.326 18976 3467 1 5 . 1 1 3 3 MET H H 3 8.396 8.396 7.996 0.400 18976 3468 1 5 . 1 1 4 4 ALA N N 4 123.344 123.344 121.545 1.799 18976 3469 1 5 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.850 0.210 18976 3470 1 5 . 1 1 4 4 ALA C C 4 177.922 177.922 178.542 -0.620 18976 3471 1 5 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.472 -0.922 18976 3472 1 5 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.445 0.111 18976 3473 1 5 . 1 1 4 4 ALA H H 4 8.396 8.396 8.140 0.256 18976 3474 1 5 . 1 1 5 5 ASP N N 5 116.052 116.052 116.240 -0.188 18976 3475 1 5 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.552 -0.043 18976 3476 1 5 . 1 1 5 5 ASP C C 5 176.366 176.366 176.952 -0.586 18976 3477 1 5 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.337 -0.715 18976 3478 1 5 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.103 -0.840 18976 3479 1 5 . 1 1 5 5 ASP H H 5 8.114 8.114 7.669 0.445 18976 3480 1 5 . 1 1 6 6 GLN N N 6 117.717 117.717 118.090 -0.373 18976 3481 1 5 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.304 0.073 18976 3482 1 5 . 1 1 6 6 GLN C C 6 175.842 175.842 175.503 0.339 18976 3483 1 5 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.005 0.306 18976 3484 1 5 . 1 1 6 6 GLN CB C 6 29.590 29.590 27.834 1.756 18976 3485 1 5 . 1 1 6 6 GLN H H 6 7.935 7.935 7.597 0.338 18976 3486 1 5 . 1 1 7 7 LEU N N 7 121.086 121.086 121.055 0.031 18976 3487 1 5 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.744 -0.068 18976 3488 1 5 . 1 1 7 7 LEU C C 7 177.496 177.496 176.744 0.752 18976 3489 1 5 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.160 -0.096 18976 3490 1 5 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.986 -0.718 18976 3491 1 5 . 1 1 7 7 LEU H H 7 7.713 7.713 7.365 0.348 18976 3492 1 5 . 1 1 8 8 THR N N 8 112.688 112.688 109.918 2.770 18976 3493 1 5 . 1 1 8 8 THR HA H 8 4.475 4.475 4.718 -0.243 18976 3494 1 5 . 1 1 8 8 THR C C 8 175.511 175.511 175.173 0.338 18976 3495 1 5 . 1 1 8 8 THR CA C 8 60.256 60.256 59.667 0.589 18976 3496 1 5 . 1 1 8 8 THR CB C 8 71.019 71.019 70.925 0.094 18976 3497 1 5 . 1 1 8 8 THR H H 8 8.800 8.800 8.018 0.782 18976 3498 1 5 . 1 1 9 9 GLU N N 9 120.380 120.380 120.772 -0.392 18976 3499 1 5 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.040 -0.060 18976 3500 1 5 . 1 1 9 9 GLU C C 9 179.492 179.492 178.421 1.071 18976 3501 1 5 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.510 0.416 18976 3502 1 5 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.608 -0.683 18976 3503 1 5 . 1 1 9 9 GLU H H 9 9.040 9.040 9.016 0.024 18976 3504 1 5 . 1 1 10 10 GLU N N 10 119.361 119.361 119.336 0.025 18976 3505 1 5 . 1 1 10 10 GLU HA H 10 4.074 4.074 3.986 0.088 18976 3506 1 5 . 1 1 10 10 GLU C C 10 179.185 179.185 179.224 -0.039 18976 3507 1 5 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.321 0.446 18976 3508 1 5 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.347 -0.551 18976 3509 1 5 . 1 1 10 10 GLU H H 10 8.729 8.729 7.817 0.912 18976 3510 1 5 . 1 1 11 11 GLN N N 11 120.302 120.302 118.188 2.114 18976 3511 1 5 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.480 -0.612 18976 3512 1 5 . 1 1 11 11 GLN C C 11 178.318 178.318 179.017 -0.699 18976 3513 1 5 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.396 -0.012 18976 3514 1 5 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.709 0.176 18976 3515 1 5 . 1 1 11 11 GLN H H 11 7.747 7.747 7.730 0.017 18976 3516 1 5 . 1 1 12 12 ILE N N 12 119.533 119.533 120.803 -1.270 18976 3517 1 5 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.031 -0.313 18976 3518 1 5 . 1 1 12 12 ILE C C 12 177.731 177.731 177.781 -0.050 18976 3519 1 5 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.804 1.155 18976 3520 1 5 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.549 -0.038 18976 3521 1 5 . 1 1 12 12 ILE H H 12 8.456 8.456 8.243 0.213 18976 3522 1 5 . 1 1 13 13 ALA N N 13 121.161 121.161 122.002 -0.841 18976 3523 1 5 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.941 0.198 18976 3524 1 5 . 1 1 13 13 ALA C C 13 181.019 181.019 179.467 1.552 18976 3525 1 5 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.502 -0.379 18976 3526 1 5 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.215 -0.711 18976 3527 1 5 . 1 1 13 13 ALA H H 13 8.018 8.018 7.936 0.082 18976 3528 1 5 . 1 1 14 14 GLU N N 14 119.619 119.619 118.519 1.100 18976 3529 1 5 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.030 0.134 18976 3530 1 5 . 1 1 14 14 GLU C C 14 180.534 180.534 179.077 1.457 18976 3531 1 5 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.780 0.344 18976 3532 1 5 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.090 -0.237 18976 3533 1 5 . 1 1 14 14 GLU H H 14 7.792 7.792 7.792 0.000 18976 3534 1 5 . 1 1 15 15 PHE N N 15 120.089 120.089 120.469 -0.380 18976 3535 1 5 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.672 0.392 18976 3536 1 5 . 1 1 15 15 PHE C C 15 178.700 178.700 178.273 0.427 18976 3537 1 5 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.182 -2.325 18976 3538 1 5 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.152 -1.676 18976 3539 1 5 . 1 1 15 15 PHE H H 15 8.587 8.587 8.217 0.370 18976 3540 1 5 . 1 1 16 16 LYS N N 16 123.715 123.715 120.469 3.246 18976 3541 1 5 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.043 0.002 18976 3542 1 5 . 1 1 16 16 LYS C C 16 179.327 179.327 179.003 0.324 18976 3543 1 5 . 1 1 16 16 LYS CA C 16 59.870 59.870 60.071 -0.201 18976 3544 1 5 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.919 -0.346 18976 3545 1 5 . 1 1 16 16 LYS H H 16 9.256 9.256 8.321 0.935 18976 3546 1 5 . 1 1 17 17 GLU N N 17 120.262 120.262 119.232 1.030 18976 3547 1 5 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.213 -0.057 18976 3548 1 5 . 1 1 17 17 GLU C C 17 179.456 179.456 179.058 0.398 18976 3549 1 5 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.652 0.355 18976 3550 1 5 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.144 -0.335 18976 3551 1 5 . 1 1 17 17 GLU H H 17 7.774 7.774 7.768 0.006 18976 3552 1 5 . 1 1 18 18 ALA N N 18 122.590 122.590 122.386 0.204 18976 3553 1 5 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.211 0.104 18976 3554 1 5 . 1 1 18 18 ALA C C 18 179.060 179.060 179.773 -0.713 18976 3555 1 5 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.072 -0.243 18976 3556 1 5 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.494 -0.696 18976 3557 1 5 . 1 1 18 18 ALA H H 18 8.001 8.001 8.264 -0.263 18976 3558 1 5 . 1 1 19 19 PHE N N 19 119.363 119.363 118.931 0.432 18976 3559 1 5 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.678 -0.444 18976 3560 1 5 . 1 1 19 19 PHE C C 19 177.290 177.290 177.199 0.091 18976 3561 1 5 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.776 0.981 18976 3562 1 5 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.121 0.017 18976 3563 1 5 . 1 1 19 19 PHE H H 19 8.859 8.859 8.022 0.837 18976 3564 1 5 . 1 1 20 20 SER N N 20 112.556 112.556 115.352 -2.796 18976 3565 1 5 . 1 1 20 20 SER HA H 20 4.142 4.142 4.310 -0.168 18976 3566 1 5 . 1 1 20 20 SER C C 20 174.955 174.955 176.151 -1.196 18976 3567 1 5 . 1 1 20 20 SER CA C 20 61.007 61.007 61.542 -0.535 18976 3568 1 5 . 1 1 20 20 SER CB C 20 62.960 62.960 63.876 -0.916 18976 3569 1 5 . 1 1 20 20 SER H H 20 7.934 7.934 8.318 -0.384 18976 3570 1 5 . 1 1 21 21 LEU N N 21 120.816 120.816 117.594 3.222 18976 3571 1 5 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.273 -0.257 18976 3572 1 5 . 1 1 21 21 LEU C C 21 178.010 178.010 178.448 -0.438 18976 3573 1 5 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.039 -0.244 18976 3574 1 5 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.633 -0.501 18976 3575 1 5 . 1 1 21 21 LEU H H 21 7.434 7.434 7.545 -0.111 18976 3576 1 5 . 1 1 22 22 PHE N N 22 115.049 115.049 118.931 -3.882 18976 3577 1 5 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.252 -0.008 18976 3578 1 5 . 1 1 22 22 PHE C C 22 176.762 176.762 175.992 0.770 18976 3579 1 5 . 1 1 22 22 PHE CA C 22 59.020 59.020 59.919 -0.899 18976 3580 1 5 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.731 0.999 18976 3581 1 5 . 1 1 22 22 PHE H H 22 7.326 7.326 7.668 -0.342 18976 3582 1 5 . 1 1 23 23 ASP N N 23 117.496 117.496 118.498 -1.002 18976 3583 1 5 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.928 -0.377 18976 3584 1 5 . 1 1 23 23 ASP C C 23 177.167 177.167 176.992 0.175 18976 3585 1 5 . 1 1 23 23 ASP CA C 23 52.041 52.041 52.959 -0.918 18976 3586 1 5 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.077 -1.479 18976 3587 1 5 . 1 1 23 23 ASP H H 23 7.851 7.851 7.762 0.089 18976 3588 1 5 . 1 1 24 24 LYS N N 24 124.470 124.470 125.603 -1.133 18976 3589 1 5 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.022 -0.038 18976 3590 1 5 . 1 1 24 24 LYS C C 24 178.127 178.127 177.561 0.566 18976 3591 1 5 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.575 -0.417 18976 3592 1 5 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.321 0.062 18976 3593 1 5 . 1 1 24 24 LYS H H 24 7.687 7.687 7.955 -0.268 18976 3594 1 5 . 1 1 25 25 ASP N N 25 113.822 113.822 116.812 -2.990 18976 3595 1 5 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.477 0.129 18976 3596 1 5 . 1 1 25 25 ASP C C 25 177.687 177.687 177.380 0.307 18976 3597 1 5 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.939 -1.480 18976 3598 1 5 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.922 -0.731 18976 3599 1 5 . 1 1 25 25 ASP H H 25 8.067 8.067 7.899 0.168 18976 3600 1 5 . 1 1 26 26 GLY N N 26 109.208 109.208 109.025 0.183 18976 3601 1 5 . 1 1 26 26 GLY C C 26 175.132 175.132 175.199 -0.067 18976 3602 1 5 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.109 0.765 18976 3603 1 5 . 1 1 26 26 GLY H H 26 7.698 7.698 7.608 0.090 18976 3604 1 5 . 1 1 27 27 ASP N N 27 120.603 120.603 119.988 0.615 18976 3605 1 5 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.644 -0.121 18976 3606 1 5 . 1 1 27 27 ASP C C 27 177.452 177.452 177.788 -0.336 18976 3607 1 5 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.378 0.115 18976 3608 1 5 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.317 -1.069 18976 3609 1 5 . 1 1 27 27 ASP H H 27 8.397 8.397 8.480 -0.083 18976 3610 1 5 . 1 1 28 28 GLY N N 28 113.187 113.187 109.623 3.564 18976 3611 1 5 . 1 1 28 28 GLY C C 28 173.679 173.679 173.766 -0.087 18976 3612 1 5 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.385 -0.204 18976 3613 1 5 . 1 1 28 28 GLY H H 28 10.648 10.648 8.435 2.213 18976 3614 1 5 . 1 1 29 29 THR N N 29 112.865 112.865 110.188 2.677 18976 3615 1 5 . 1 1 29 29 THR HA H 29 5.310 5.310 5.242 0.068 18976 3616 1 5 . 1 1 29 29 THR C C 29 172.872 172.872 173.501 -0.629 18976 3617 1 5 . 1 1 29 29 THR CA C 29 59.764 59.764 60.370 -0.606 18976 3618 1 5 . 1 1 29 29 THR CB C 29 72.319 72.319 72.031 0.288 18976 3619 1 5 . 1 1 29 29 THR H H 29 8.144 8.144 8.393 -0.249 18976 3620 1 5 . 1 1 30 30 ILE N N 30 127.035 127.035 126.983 0.052 18976 3621 1 5 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.501 0.479 18976 3622 1 5 . 1 1 30 30 ILE C C 30 176.072 176.072 176.716 -0.644 18976 3623 1 5 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.524 -0.380 18976 3624 1 5 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.519 1.783 18976 3625 1 5 . 1 1 30 30 ILE H H 30 9.821 9.821 8.897 0.924 18976 3626 1 5 . 1 1 31 31 THR N N 31 116.509 116.509 119.743 -3.234 18976 3627 1 5 . 1 1 31 31 THR HA H 31 4.800 4.800 4.580 0.221 18976 3628 1 5 . 1 1 31 31 THR C C 31 176.542 176.542 176.277 0.265 18976 3629 1 5 . 1 1 31 31 THR CA C 31 59.396 59.396 61.266 -1.870 18976 3630 1 5 . 1 1 31 31 THR CB C 31 72.162 72.162 70.344 1.818 18976 3631 1 5 . 1 1 31 31 THR H H 31 8.469 8.469 8.971 -0.502 18976 3632 1 5 . 1 1 32 32 THR N N 32 112.790 112.790 113.008 -0.218 18976 3633 1 5 . 1 1 32 32 THR HA H 32 3.803 3.803 3.999 -0.196 18976 3634 1 5 . 1 1 32 32 THR C C 32 177.188 177.188 176.491 0.697 18976 3635 1 5 . 1 1 32 32 THR CA C 32 66.253 66.253 66.611 -0.358 18976 3636 1 5 . 1 1 32 32 THR CB C 32 67.459 67.459 68.356 -0.897 18976 3637 1 5 . 1 1 32 32 THR H H 32 9.128 9.128 8.926 0.202 18976 3638 1 5 . 1 1 33 33 LYS N N 33 120.844 120.844 121.567 -0.723 18976 3639 1 5 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.065 0.083 18976 3640 1 5 . 1 1 33 33 LYS C C 33 179.880 179.880 178.491 1.389 18976 3641 1 5 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.532 -0.593 18976 3642 1 5 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.174 0.061 18976 3643 1 5 . 1 1 33 33 LYS H H 33 7.695 7.695 7.836 -0.141 18976 3644 1 5 . 1 1 34 34 GLU N N 34 121.463 121.463 119.024 2.439 18976 3645 1 5 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.148 -0.080 18976 3646 1 5 . 1 1 34 34 GLU C C 34 179.140 179.140 179.305 -0.165 18976 3647 1 5 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.770 0.369 18976 3648 1 5 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.773 -0.228 18976 3649 1 5 . 1 1 34 34 GLU H H 34 7.687 7.687 7.471 0.216 18976 3650 1 5 . 1 1 35 35 LEU N N 35 120.583 120.583 121.229 -0.646 18976 3651 1 5 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.262 -0.139 18976 3652 1 5 . 1 1 35 35 LEU C C 35 178.934 178.934 179.005 -0.071 18976 3653 1 5 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.345 -0.518 18976 3654 1 5 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.796 0.584 18976 3655 1 5 . 1 1 35 35 LEU H H 35 8.745 8.745 8.589 0.156 18976 3656 1 5 . 1 1 36 36 GLY N N 36 128.127 128.127 105.004 23.123 18976 3657 1 5 . 1 1 36 36 GLY C C 36 175.177 175.177 176.007 -0.830 18976 3658 1 5 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.461 0.542 18976 3659 1 5 . 1 1 36 36 GLY H H 36 8.670 8.670 8.397 0.273 18976 3660 1 5 . 1 1 37 37 THR N N 37 117.925 117.925 118.580 -0.655 18976 3661 1 5 . 1 1 37 37 THR HA H 37 3.938 3.938 3.971 -0.033 18976 3662 1 5 . 1 1 37 37 THR C C 37 177.137 177.137 176.267 0.870 18976 3663 1 5 . 1 1 37 37 THR CA C 37 66.648 66.648 67.448 -0.800 18976 3664 1 5 . 1 1 37 37 THR CB C 37 68.383 68.383 68.737 -0.354 18976 3665 1 5 . 1 1 37 37 THR H H 37 7.930 7.930 7.453 0.477 18976 3666 1 5 . 1 1 38 38 VAL N N 38 122.046 122.046 121.075 0.971 18976 3667 1 5 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.479 0.044 18976 3668 1 5 . 1 1 38 38 VAL C C 38 179.243 179.243 177.655 1.588 18976 3669 1 5 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.787 0.175 18976 3670 1 5 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.950 0.120 18976 3671 1 5 . 1 1 38 38 VAL H H 38 7.643 7.643 7.348 0.295 18976 3672 1 5 . 1 1 39 39 MET N N 39 118.442 118.442 117.392 1.050 18976 3673 1 5 . 1 1 39 39 MET HA H 39 4.133 4.133 4.162 -0.029 18976 3674 1 5 . 1 1 39 39 MET C C 39 179.125 179.125 178.444 0.681 18976 3675 1 5 . 1 1 39 39 MET CA C 39 58.886 58.886 57.060 1.825 18976 3676 1 5 . 1 1 39 39 MET CB C 39 31.211 31.211 31.396 -0.185 18976 3677 1 5 . 1 1 39 39 MET H H 39 8.497 8.497 8.201 0.296 18976 3678 1 5 . 1 1 40 40 ARG N N 40 118.929 118.929 119.792 -0.863 18976 3679 1 5 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.261 0.572 18976 3680 1 5 . 1 1 40 40 ARG C C 40 181.224 181.224 179.152 2.072 18976 3681 1 5 . 1 1 40 40 ARG CA C 40 58.886 58.886 58.992 -0.106 18976 3682 1 5 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.985 -1.150 18976 3683 1 5 . 1 1 40 40 ARG H H 40 8.536 8.536 7.774 0.762 18976 3684 1 5 . 1 1 41 41 SER N N 41 118.832 118.832 115.873 2.959 18976 3685 1 5 . 1 1 41 41 SER HA H 41 4.425 4.425 4.307 0.118 18976 3686 1 5 . 1 1 41 41 SER C C 41 174.839 174.839 175.397 -0.558 18976 3687 1 5 . 1 1 41 41 SER CA C 41 61.249 61.249 60.607 0.642 18976 3688 1 5 . 1 1 41 41 SER CB C 41 62.464 62.464 62.998 -0.534 18976 3689 1 5 . 1 1 41 41 SER H H 41 7.925 7.925 7.622 0.303 18976 3690 1 5 . 1 1 42 42 LEU N N 42 120.676 120.676 120.316 0.360 18976 3691 1 5 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.377 0.140 18976 3692 1 5 . 1 1 42 42 LEU C C 42 177.540 177.540 177.078 0.462 18976 3693 1 5 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.869 -0.637 18976 3694 1 5 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.925 -0.256 18976 3695 1 5 . 1 1 42 42 LEU H H 42 7.395 7.395 7.424 -0.029 18976 3696 1 5 . 1 1 43 43 GLY N N 43 106.840 106.840 107.380 -0.540 18976 3697 1 5 . 1 1 43 43 GLY C C 43 174.384 174.384 173.768 0.616 18976 3698 1 5 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.852 0.456 18976 3699 1 5 . 1 1 43 43 GLY H H 43 7.885 7.885 7.501 0.384 18976 3700 1 5 . 1 1 44 44 GLN N N 44 118.414 118.414 117.969 0.445 18976 3701 1 5 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.532 -0.030 18976 3702 1 5 . 1 1 44 44 GLN C C 44 174.134 174.134 174.229 -0.095 18976 3703 1 5 . 1 1 44 44 GLN CA C 44 54.184 54.184 53.783 0.401 18976 3704 1 5 . 1 1 44 44 GLN CB C 44 30.274 30.274 32.360 -2.086 18976 3705 1 5 . 1 1 44 44 GLN H H 44 7.805 7.805 7.756 0.049 18976 3706 1 5 . 1 1 45 45 ASN N N 45 116.265 116.265 119.308 -3.043 18976 3707 1 5 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.042 0.159 18976 3708 1 5 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.188 0.769 18976 3709 1 5 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.774 0.135 18976 3710 1 5 . 1 1 45 45 ASN H H 45 8.733 8.733 8.690 0.043 18976 3711 1 5 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.881 -0.094 18976 3712 1 5 . 1 1 46 46 PRO C C 46 177.745 177.745 176.394 1.351 18976 3713 1 5 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.335 -0.230 18976 3714 1 5 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.792 -1.089 18976 3715 1 5 . 1 1 47 47 THR N N 47 112.958 112.958 116.091 -3.133 18976 3716 1 5 . 1 1 47 47 THR HA H 47 4.451 4.451 4.471 -0.020 18976 3717 1 5 . 1 1 47 47 THR C C 47 175.159 175.159 175.952 -0.793 18976 3718 1 5 . 1 1 47 47 THR CA C 47 60.078 60.078 59.361 0.717 18976 3719 1 5 . 1 1 47 47 THR CB C 47 71.001 71.001 70.929 0.072 18976 3720 1 5 . 1 1 47 47 THR H H 47 8.767 8.767 8.197 0.570 18976 3721 1 5 . 1 1 48 48 GLU N N 48 120.607 120.607 125.557 -4.950 18976 3722 1 5 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.953 0.053 18976 3723 1 5 . 1 1 48 48 GLU C C 48 178.949 178.949 178.473 0.476 18976 3724 1 5 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.806 -0.065 18976 3725 1 5 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.533 -0.841 18976 3726 1 5 . 1 1 48 48 GLU H H 48 8.824 8.824 8.933 -0.109 18976 3727 1 5 . 1 1 49 49 ALA N N 49 120.678 120.678 121.241 -0.563 18976 3728 1 5 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.062 0.057 18976 3729 1 5 . 1 1 49 49 ALA C C 49 180.226 180.226 179.308 0.918 18976 3730 1 5 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.821 -0.105 18976 3731 1 5 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.206 -0.334 18976 3732 1 5 . 1 1 49 49 ALA H H 49 8.279 8.279 7.767 0.512 18976 3733 1 5 . 1 1 50 50 GLU N N 50 118.703 118.703 119.684 -0.981 18976 3734 1 5 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.087 -0.035 18976 3735 1 5 . 1 1 50 50 GLU C C 50 180.182 180.182 179.012 1.170 18976 3736 1 5 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.226 -0.369 18976 3737 1 5 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.671 -0.303 18976 3738 1 5 . 1 1 50 50 GLU H H 50 7.712 7.712 7.634 0.078 18976 3739 1 5 . 1 1 51 51 LEU N N 51 120.420 120.420 118.860 1.560 18976 3740 1 5 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.125 -0.031 18976 3741 1 5 . 1 1 51 51 LEU C C 51 178.494 178.494 179.666 -1.172 18976 3742 1 5 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.748 0.931 18976 3743 1 5 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.624 1.432 18976 3744 1 5 . 1 1 51 51 LEU H H 51 8.192 8.192 7.553 0.639 18976 3745 1 5 . 1 1 52 52 GLN N N 52 118.200 118.200 118.484 -0.284 18976 3746 1 5 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.986 -0.148 18976 3747 1 5 . 1 1 52 52 GLN C C 52 178.518 178.518 177.656 0.862 18976 3748 1 5 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.560 -0.363 18976 3749 1 5 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.041 -0.138 18976 3750 1 5 . 1 1 52 52 GLN H H 52 8.212 8.212 8.247 -0.035 18976 3751 1 5 . 1 1 53 53 ASP N N 53 119.922 119.922 119.997 -0.075 18976 3752 1 5 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.456 -0.026 18976 3753 1 5 . 1 1 53 53 ASP C C 53 178.635 178.635 178.066 0.569 18976 3754 1 5 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.023 0.239 18976 3755 1 5 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.820 -0.858 18976 3756 1 5 . 1 1 53 53 ASP H H 53 8.108 8.108 7.606 0.502 18976 3757 1 5 . 1 1 54 54 MET N N 54 119.290 119.290 117.421 1.869 18976 3758 1 5 . 1 1 54 54 MET HA H 54 4.044 4.044 4.192 -0.148 18976 3759 1 5 . 1 1 54 54 MET C C 54 178.876 178.876 178.290 0.586 18976 3760 1 5 . 1 1 54 54 MET CA C 54 59.108 59.108 58.901 0.207 18976 3761 1 5 . 1 1 54 54 MET CB C 54 32.930 32.930 32.535 0.395 18976 3762 1 5 . 1 1 54 54 MET H H 54 7.865 7.865 7.465 0.400 18976 3763 1 5 . 1 1 55 55 ILE N N 55 118.056 118.056 119.885 -1.829 18976 3764 1 5 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.782 -0.267 18976 3765 1 5 . 1 1 55 55 ILE C C 55 177.760 177.760 177.435 0.325 18976 3766 1 5 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.240 0.240 18976 3767 1 5 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.302 -1.322 18976 3768 1 5 . 1 1 55 55 ILE H H 55 7.710 7.710 7.379 0.331 18976 3769 1 5 . 1 1 56 56 ASN N N 56 117.688 117.688 118.666 -0.978 18976 3770 1 5 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.389 0.003 18976 3771 1 5 . 1 1 56 56 ASN C C 56 177.393 177.393 177.579 -0.186 18976 3772 1 5 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.942 -0.356 18976 3773 1 5 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.023 -0.368 18976 3774 1 5 . 1 1 56 56 ASN H H 56 8.606 8.606 8.337 0.269 18976 3775 1 5 . 1 1 57 57 GLU N N 57 116.316 116.316 117.795 -1.479 18976 3776 1 5 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.278 -0.235 18976 3777 1 5 . 1 1 57 57 GLU C C 57 177.569 177.569 177.947 -0.378 18976 3778 1 5 . 1 1 57 57 GLU CA C 57 58.632 58.632 57.663 0.969 18976 3779 1 5 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.905 0.194 18976 3780 1 5 . 1 1 57 57 GLU H H 57 7.580 7.580 7.775 -0.195 18976 3781 1 5 . 1 1 58 58 VAL N N 58 108.390 108.390 118.535 -10.145 18976 3782 1 5 . 1 1 58 58 VAL HA H 58 4.482 4.482 3.981 0.501 18976 3783 1 5 . 1 1 58 58 VAL C C 58 175.749 175.749 176.364 -0.615 18976 3784 1 5 . 1 1 58 58 VAL CA C 58 60.417 60.417 63.404 -2.987 18976 3785 1 5 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.283 0.083 18976 3786 1 5 . 1 1 58 58 VAL H H 58 7.219 7.219 7.321 -0.102 18976 3787 1 5 . 1 1 59 59 ASP N N 59 121.728 121.728 120.739 0.989 18976 3788 1 5 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.684 -0.042 18976 3789 1 5 . 1 1 59 59 ASP C C 59 176.219 176.219 176.458 -0.239 18976 3790 1 5 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.536 -1.069 18976 3791 1 5 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.168 -1.303 18976 3792 1 5 . 1 1 59 59 ASP H H 59 7.674 7.674 7.896 -0.222 18976 3793 1 5 . 1 1 60 60 ALA N N 60 109.214 109.214 130.271 -21.057 18976 3794 1 5 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.062 0.154 18976 3795 1 5 . 1 1 60 60 ALA C C 60 178.626 178.626 178.465 0.161 18976 3796 1 5 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.289 -0.304 18976 3797 1 5 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.228 -0.082 18976 3798 1 5 . 1 1 60 60 ALA H H 60 8.481 8.481 8.011 0.470 18976 3799 1 5 . 1 1 61 61 ASP N N 61 113.667 113.667 116.465 -2.798 18976 3800 1 5 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.529 0.094 18976 3801 1 5 . 1 1 61 61 ASP C C 61 177.848 177.848 177.818 0.030 18976 3802 1 5 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.856 -1.445 18976 3803 1 5 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.842 -1.290 18976 3804 1 5 . 1 1 61 61 ASP H H 61 8.158 8.158 8.091 0.067 18976 3805 1 5 . 1 1 62 62 GLY N N 62 108.314 108.314 108.955 -0.641 18976 3806 1 5 . 1 1 62 62 GLY C C 62 174.933 174.933 175.357 -0.424 18976 3807 1 5 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.861 1.081 18976 3808 1 5 . 1 1 62 62 GLY H H 62 7.585 7.585 8.154 -0.569 18976 3809 1 5 . 1 1 63 63 ASN N N 63 118.384 118.384 119.055 -0.671 18976 3810 1 5 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.728 -0.071 18976 3811 1 5 . 1 1 63 63 ASN C C 63 176.835 176.835 176.632 0.203 18976 3812 1 5 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.735 -0.512 18976 3813 1 5 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.479 -2.113 18976 3814 1 5 . 1 1 63 63 ASN H H 63 8.086 8.086 8.605 -0.519 18976 3815 1 5 . 1 1 64 64 GLY N N 64 113.412 113.412 109.765 3.647 18976 3816 1 5 . 1 1 64 64 GLY C C 64 173.254 173.254 173.338 -0.084 18976 3817 1 5 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.190 0.207 18976 3818 1 5 . 1 1 64 64 GLY H H 64 10.618 10.618 8.280 2.338 18976 3819 1 5 . 1 1 65 65 THR N N 65 108.877 108.877 113.606 -4.729 18976 3820 1 5 . 1 1 65 65 THR HA H 65 4.766 4.766 4.664 0.102 18976 3821 1 5 . 1 1 65 65 THR C C 65 173.195 173.195 173.081 0.114 18976 3822 1 5 . 1 1 65 65 THR CA C 65 59.301 59.301 61.408 -2.107 18976 3823 1 5 . 1 1 65 65 THR CB C 65 71.695 71.695 72.334 -0.639 18976 3824 1 5 . 1 1 65 65 THR H H 65 7.684 7.684 8.134 -0.450 18976 3825 1 5 . 1 1 66 66 ILE N N 66 123.673 123.673 123.715 -0.042 18976 3826 1 5 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.403 0.787 18976 3827 1 5 . 1 1 66 66 ILE C C 66 175.529 175.529 174.983 0.546 18976 3828 1 5 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.095 -1.411 18976 3829 1 5 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.365 0.052 18976 3830 1 5 . 1 1 66 66 ILE H H 66 8.912 8.912 8.404 0.508 18976 3831 1 5 . 1 1 67 67 ASP N N 67 128.135 128.135 126.498 1.637 18976 3832 1 5 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.173 0.211 18976 3833 1 5 . 1 1 67 67 ASP C C 67 176.322 176.322 176.597 -0.275 18976 3834 1 5 . 1 1 67 67 ASP CA C 67 51.843 51.843 51.708 0.135 18976 3835 1 5 . 1 1 67 67 ASP CB C 67 41.787 41.787 44.063 -2.276 18976 3836 1 5 . 1 1 67 67 ASP H H 67 8.824 8.824 8.717 0.107 18976 3837 1 5 . 1 1 68 68 PHE N N 68 118.627 118.627 123.427 -4.800 18976 3838 1 5 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.074 -0.050 18976 3839 1 5 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.919 0.251 18976 3840 1 5 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.151 -1.550 18976 3841 1 5 . 1 1 68 68 PHE H H 68 8.943 8.943 9.030 -0.087 18976 3842 1 5 . 1 1 69 69 PRO HA H 69 3.876 3.876 4.035 -0.159 18976 3843 1 5 . 1 1 69 69 PRO C C 69 180.037 180.037 179.197 0.840 18976 3844 1 5 . 1 1 69 69 PRO CA C 69 66.392 66.392 66.071 0.321 18976 3845 1 5 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.912 -0.538 18976 3846 1 5 . 1 1 70 70 GLU N N 70 117.615 117.615 118.870 -1.255 18976 3847 1 5 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.098 0.010 18976 3848 1 5 . 1 1 70 70 GLU C C 70 178.773 178.773 178.954 -0.181 18976 3849 1 5 . 1 1 70 70 GLU CA C 70 58.566 58.566 59.008 -0.441 18976 3850 1 5 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.234 -0.208 18976 3851 1 5 . 1 1 70 70 GLU H H 70 7.969 7.969 7.700 0.269 18976 3852 1 5 . 1 1 71 71 PHE N N 71 123.460 123.460 121.856 1.604 18976 3853 1 5 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.129 -0.155 18976 3854 1 5 . 1 1 71 71 PHE C C 71 177.041 177.041 176.681 0.360 18976 3855 1 5 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.193 -0.166 18976 3856 1 5 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.470 0.237 18976 3857 1 5 . 1 1 71 71 PHE H H 71 8.861 8.861 8.347 0.514 18976 3858 1 5 . 1 1 72 72 LEU N N 72 118.749 118.749 118.946 -0.197 18976 3859 1 5 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.267 0.101 18976 3860 1 5 . 1 1 72 72 LEU C C 72 178.949 178.949 178.459 0.490 18976 3861 1 5 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.710 -0.114 18976 3862 1 5 . 1 1 72 72 LEU CB C 72 40.742 40.742 41.169 -0.427 18976 3863 1 5 . 1 1 72 72 LEU H H 72 8.411 8.411 8.237 0.174 18976 3864 1 5 . 1 1 73 73 THR N N 73 115.213 115.213 112.890 2.323 18976 3865 1 5 . 1 1 73 73 THR HA H 73 3.753 3.753 3.984 -0.231 18976 3866 1 5 . 1 1 73 73 THR C C 73 175.955 175.955 176.212 -0.257 18976 3867 1 5 . 1 1 73 73 THR CA C 73 66.313 66.313 65.175 1.138 18976 3868 1 5 . 1 1 73 73 THR CB C 73 68.075 68.075 68.844 -0.769 18976 3869 1 5 . 1 1 73 73 THR H H 73 7.522 7.522 7.450 0.072 18976 3870 1 5 . 1 1 74 74 MET N N 74 121.455 121.455 121.003 0.452 18976 3871 1 5 . 1 1 74 74 MET HA H 74 3.773 3.773 4.310 -0.537 18976 3872 1 5 . 1 1 74 74 MET C C 74 178.098 178.098 178.533 -0.435 18976 3873 1 5 . 1 1 74 74 MET CA C 74 58.603 58.603 57.535 1.068 18976 3874 1 5 . 1 1 74 74 MET CB C 74 32.905 32.905 31.627 1.278 18976 3875 1 5 . 1 1 74 74 MET H H 74 7.783 7.783 7.545 0.238 18976 3876 1 5 . 1 1 75 75 MET N N 75 116.557 116.557 120.894 -4.337 18976 3877 1 5 . 1 1 75 75 MET HA H 75 3.998 3.998 3.949 0.049 18976 3878 1 5 . 1 1 75 75 MET C C 75 178.700 178.700 176.904 1.796 18976 3879 1 5 . 1 1 75 75 MET CA C 75 55.472 55.472 56.856 -1.384 18976 3880 1 5 . 1 1 75 75 MET CB C 75 30.693 30.693 31.773 -1.080 18976 3881 1 5 . 1 1 75 75 MET H H 75 8.077 8.077 8.238 -0.161 18976 3882 1 5 . 1 1 76 76 ALA N N 76 122.410 122.410 120.534 1.876 18976 3883 1 5 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.932 0.157 18976 3884 1 5 . 1 1 76 76 ALA C C 76 179.683 179.683 179.537 0.146 18976 3885 1 5 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.514 -0.138 18976 3886 1 5 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.023 -0.244 18976 3887 1 5 . 1 1 76 76 ALA H H 76 8.303 8.303 7.277 1.026 18976 3888 1 5 . 1 1 77 77 ARG N N 77 116.451 116.451 116.707 -0.256 18976 3889 1 5 . 1 1 77 77 ARG HA H 77 4.102 4.102 3.964 0.138 18976 3890 1 5 . 1 1 77 77 ARG C C 77 177.701 177.701 177.306 0.395 18976 3891 1 5 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.944 -0.902 18976 3892 1 5 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.268 -0.260 18976 3893 1 5 . 1 1 77 77 ARG H H 77 7.622 7.622 7.868 -0.246 18976 3894 1 5 . 1 1 78 78 LYS N N 78 118.021 118.021 116.484 1.537 18976 3895 1 5 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.319 -0.080 18976 3896 1 5 . 1 1 78 78 LYS C C 78 177.525 177.525 178.247 -0.722 18976 3897 1 5 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.015 -0.294 18976 3898 1 5 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.746 -0.533 18976 3899 1 5 . 1 1 78 78 LYS H H 78 7.577 7.577 7.465 0.112 18976 3900 1 5 . 1 1 79 79 MET N N 79 118.929 118.929 119.835 -0.906 18976 3901 1 5 . 1 1 79 79 MET HA H 79 4.351 4.351 4.305 0.046 18976 3902 1 5 . 1 1 79 79 MET C C 79 176.322 176.322 176.635 -0.313 18976 3903 1 5 . 1 1 79 79 MET CA C 79 56.345 56.345 56.415 -0.070 18976 3904 1 5 . 1 1 79 79 MET CB C 79 32.946 32.946 32.313 0.633 18976 3905 1 5 . 1 1 79 79 MET H H 79 7.772 7.772 7.958 -0.186 18976 3906 1 5 . 1 1 80 80 LYS N N 80 120.686 120.686 118.754 1.932 18976 3907 1 5 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.271 0.056 18976 3908 1 5 . 1 1 80 80 LYS C C 80 176.395 176.395 175.912 0.483 18976 3909 1 5 . 1 1 80 80 LYS CA C 80 56.144 56.144 56.049 0.095 18976 3910 1 5 . 1 1 80 80 LYS CB C 80 32.808 32.808 30.897 1.911 18976 3911 1 5 . 1 1 80 80 LYS H H 80 7.955 7.955 8.033 -0.078 18976 3912 1 5 . 1 1 81 81 ASP N N 81 121.721 121.721 118.689 3.032 18976 3913 1 5 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.153 0.536 18976 3914 1 5 . 1 1 81 81 ASP C C 81 176.644 176.644 176.869 -0.225 18976 3915 1 5 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.793 -3.507 18976 3916 1 5 . 1 1 81 81 ASP CB C 81 40.793 40.793 39.276 1.517 18976 3917 1 5 . 1 1 81 81 ASP H H 81 8.341 8.341 8.014 0.327 18976 3918 1 5 . 1 1 82 82 THR N N 82 114.594 114.594 110.388 4.206 18976 3919 1 5 . 1 1 82 82 THR HA H 82 4.323 4.323 4.357 -0.034 18976 3920 1 5 . 1 1 82 82 THR C C 82 174.584 174.584 176.423 -1.839 18976 3921 1 5 . 1 1 82 82 THR CA C 82 61.955 61.955 62.876 -0.921 18976 3922 1 5 . 1 1 82 82 THR CB C 82 69.586 69.586 70.925 -1.339 18976 3923 1 5 . 1 1 82 82 THR H H 82 8.123 8.123 8.016 0.107 18976 3924 1 5 . 1 1 83 83 ASP N N 83 123.126 123.126 121.459 1.667 18976 3925 1 5 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.134 0.565 18976 3926 1 5 . 1 1 83 83 ASP C C 83 176.674 176.674 177.675 -1.001 18976 3927 1 5 . 1 1 83 83 ASP CA C 83 54.491 54.491 57.146 -2.655 18976 3928 1 5 . 1 1 83 83 ASP CB C 83 41.040 41.040 39.403 1.637 18976 3929 1 5 . 1 1 83 83 ASP H H 83 8.439 8.439 8.570 -0.131 18976 3930 1 5 . 1 1 84 84 SER N N 84 116.982 116.982 117.229 -0.247 18976 3931 1 5 . 1 1 84 84 SER HA H 84 4.458 4.458 4.070 0.388 18976 3932 1 5 . 1 1 84 84 SER C C 84 175.393 175.393 176.153 -0.760 18976 3933 1 5 . 1 1 84 84 SER CA C 84 58.943 58.943 61.217 -2.274 18976 3934 1 5 . 1 1 84 84 SER CB C 84 63.550 63.550 62.825 0.725 18976 3935 1 5 . 1 1 84 84 SER H H 84 8.418 8.418 8.173 0.245 18976 3936 1 5 . 1 1 85 85 GLU N N 85 122.632 122.632 119.861 2.771 18976 3937 1 5 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.003 0.208 18976 3938 1 5 . 1 1 85 85 GLU C C 85 177.716 177.716 178.515 -0.799 18976 3939 1 5 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.199 -0.660 18976 3940 1 5 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.891 0.336 18976 3941 1 5 . 1 1 85 85 GLU H H 85 8.504 8.504 8.099 0.405 18976 3942 1 5 . 1 1 86 86 GLU N N 86 119.077 119.077 119.151 -0.074 18976 3943 1 5 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.999 0.062 18976 3944 1 5 . 1 1 86 86 GLU C C 86 178.885 178.885 178.748 0.137 18976 3945 1 5 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.644 0.722 18976 3946 1 5 . 1 1 86 86 GLU CB C 86 29.065 29.065 28.854 0.211 18976 3947 1 5 . 1 1 86 86 GLU H H 86 8.333 8.333 7.874 0.459 18976 3948 1 5 . 1 1 87 87 GLU N N 87 119.138 119.138 121.533 -2.395 18976 3949 1 5 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.118 0.028 18976 3950 1 5 . 1 1 87 87 GLU C C 87 179.823 179.823 179.029 0.794 18976 3951 1 5 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.085 -0.175 18976 3952 1 5 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.669 -0.403 18976 3953 1 5 . 1 1 87 87 GLU H H 87 8.130 8.130 7.831 0.299 18976 3954 1 5 . 1 1 88 88 LEU N N 88 122.103 122.103 119.048 3.055 18976 3955 1 5 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.259 0.132 18976 3956 1 5 . 1 1 88 88 LEU C C 88 178.905 178.905 179.338 -0.433 18976 3957 1 5 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.520 0.196 18976 3958 1 5 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.885 -0.023 18976 3959 1 5 . 1 1 88 88 LEU H H 88 8.152 8.152 7.754 0.398 18976 3960 1 5 . 1 1 89 89 ARG N N 89 120.092 120.092 120.311 -0.219 18976 3961 1 5 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.233 -0.183 18976 3962 1 5 . 1 1 89 89 ARG C C 89 179.507 179.507 178.262 1.245 18976 3963 1 5 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.959 -0.548 18976 3964 1 5 . 1 1 89 89 ARG CB C 89 29.460 29.460 30.070 -0.610 18976 3965 1 5 . 1 1 89 89 ARG H H 89 8.499 8.499 8.698 -0.199 18976 3966 1 5 . 1 1 90 90 GLU N N 90 119.315 119.315 119.438 -0.123 18976 3967 1 5 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.152 0.015 18976 3968 1 5 . 1 1 90 90 GLU C C 90 178.068 178.068 178.375 -0.307 18976 3969 1 5 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.282 -0.693 18976 3970 1 5 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.645 -0.716 18976 3971 1 5 . 1 1 90 90 GLU H H 90 8.040 8.040 7.754 0.286 18976 3972 1 5 . 1 1 91 91 ALA N N 91 121.794 121.794 122.714 -0.920 18976 3973 1 5 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.125 0.086 18976 3974 1 5 . 1 1 91 91 ALA C C 91 179.855 179.855 179.094 0.761 18976 3975 1 5 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.070 -0.344 18976 3976 1 5 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.394 -0.824 18976 3977 1 5 . 1 1 91 91 ALA H H 91 7.996 7.996 8.019 -0.023 18976 3978 1 5 . 1 1 92 92 PHE N N 92 119.368 119.368 118.195 1.173 18976 3979 1 5 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.732 -0.602 18976 3980 1 5 . 1 1 92 92 PHE C C 92 176.454 176.454 176.867 -0.413 18976 3981 1 5 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.167 0.065 18976 3982 1 5 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.897 0.030 18976 3983 1 5 . 1 1 92 92 PHE H H 92 8.360 8.360 8.186 0.174 18976 3984 1 5 . 1 1 93 93 ARG N N 93 117.178 117.178 118.033 -0.855 18976 3985 1 5 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.996 -0.131 18976 3986 1 5 . 1 1 93 93 ARG C C 93 178.421 178.421 177.609 0.812 18976 3987 1 5 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.813 0.028 18976 3988 1 5 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.363 -0.457 18976 3989 1 5 . 1 1 93 93 ARG H H 93 7.895 7.895 7.277 0.618 18976 3990 1 5 . 1 1 94 94 VAL N N 94 115.719 115.719 118.602 -2.883 18976 3991 1 5 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.604 -0.004 18976 3992 1 5 . 1 1 94 94 VAL C C 94 177.334 177.334 177.914 -0.580 18976 3993 1 5 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.896 -0.864 18976 3994 1 5 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.797 -0.254 18976 3995 1 5 . 1 1 94 94 VAL H H 94 7.541 7.541 7.716 -0.175 18976 3996 1 5 . 1 1 95 95 GLU N N 95 117.921 117.921 117.242 0.679 18976 3997 1 5 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.019 -0.011 18976 3998 1 5 . 1 1 95 95 GLU C C 95 176.953 176.953 176.755 0.198 18976 3999 1 5 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.409 -0.153 18976 4000 1 5 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.608 -0.921 18976 4001 1 5 . 1 1 95 95 GLU H H 95 7.011 7.011 7.922 -0.911 18976 4002 1 5 . 1 1 96 96 ASP N N 96 117.365 117.365 118.629 -1.264 18976 4003 1 5 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.764 -0.314 18976 4004 1 5 . 1 1 96 96 ASP C C 96 177.202 177.202 176.726 0.476 18976 4005 1 5 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.390 -1.917 18976 4006 1 5 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.456 -2.382 18976 4007 1 5 . 1 1 96 96 ASP H H 96 7.626 7.626 7.510 0.116 18976 4008 1 5 . 1 1 97 97 LYS N N 97 124.733 124.733 125.120 -0.387 18976 4009 1 5 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.045 -0.144 18976 4010 1 5 . 1 1 97 97 LYS C C 97 178.333 178.333 177.688 0.645 18976 4011 1 5 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.934 0.671 18976 4012 1 5 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.486 -0.056 18976 4013 1 5 . 1 1 97 97 LYS H H 97 7.357 7.357 7.944 -0.587 18976 4014 1 5 . 1 1 98 98 ASP N N 98 114.048 114.048 114.725 -0.677 18976 4015 1 5 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.483 0.085 18976 4016 1 5 . 1 1 98 98 ASP C C 98 177.775 177.775 177.423 0.352 18976 4017 1 5 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.105 -1.448 18976 4018 1 5 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.392 -0.799 18976 4019 1 5 . 1 1 98 98 ASP H H 98 8.352 8.352 7.974 0.378 18976 4020 1 5 . 1 1 99 99 GLY N N 99 109.454 109.454 109.098 0.356 18976 4021 1 5 . 1 1 99 99 GLY C C 99 175.082 175.082 174.887 0.195 18976 4022 1 5 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.662 1.165 18976 4023 1 5 . 1 1 99 99 GLY H H 99 7.828 7.828 8.191 -0.363 18976 4024 1 5 . 1 1 100 100 ASN N N 100 119.607 119.607 118.755 0.852 18976 4025 1 5 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.830 -0.195 18976 4026 1 5 . 1 1 100 100 ASN C C 100 175.969 175.969 176.415 -0.446 18976 4027 1 5 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.700 -0.217 18976 4028 1 5 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.725 -1.844 18976 4029 1 5 . 1 1 100 100 ASN H H 100 8.334 8.334 8.448 -0.114 18976 4030 1 5 . 1 1 101 101 GLY N N 101 113.007 113.007 108.125 4.882 18976 4031 1 5 . 1 1 101 101 GLY C C 101 172.314 172.314 172.542 -0.228 18976 4032 1 5 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.069 -0.387 18976 4033 1 5 . 1 1 101 101 GLY H H 101 10.640 10.640 8.142 2.498 18976 4034 1 5 . 1 1 102 102 TYR N N 102 115.913 115.913 117.854 -1.941 18976 4035 1 5 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.241 -0.055 18976 4036 1 5 . 1 1 102 102 TYR C C 102 174.736 174.736 174.778 -0.042 18976 4037 1 5 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.385 -0.723 18976 4038 1 5 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.436 1.365 18976 4039 1 5 . 1 1 102 102 TYR H H 102 7.610 7.610 8.250 -0.640 18976 4040 1 5 . 1 1 103 103 ILE N N 103 127.698 127.698 123.262 4.436 18976 4041 1 5 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.510 0.306 18976 4042 1 5 . 1 1 103 103 ILE C C 103 175.634 175.634 175.052 0.582 18976 4043 1 5 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.791 0.647 18976 4044 1 5 . 1 1 103 103 ILE CB C 103 38.919 38.919 40.568 -1.649 18976 4045 1 5 . 1 1 103 103 ILE H H 103 10.228 10.228 8.250 1.978 18976 4046 1 5 . 1 1 104 104 SER N N 104 123.581 123.581 120.888 2.693 18976 4047 1 5 . 1 1 104 104 SER HA H 104 4.849 4.849 4.994 -0.145 18976 4048 1 5 . 1 1 104 104 SER C C 104 175.191 175.191 175.071 0.120 18976 4049 1 5 . 1 1 104 104 SER CA C 104 55.499 55.499 55.064 0.435 18976 4050 1 5 . 1 1 104 104 SER CB C 104 66.371 66.371 65.169 1.202 18976 4051 1 5 . 1 1 104 104 SER H H 104 8.947 8.947 8.478 0.469 18976 4052 1 5 . 1 1 105 105 ALA N N 105 122.829 122.829 123.846 -1.017 18976 4053 1 5 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.067 -0.138 18976 4054 1 5 . 1 1 105 105 ALA C C 105 179.272 179.272 178.644 0.628 18976 4055 1 5 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.423 0.237 18976 4056 1 5 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.622 -0.939 18976 4057 1 5 . 1 1 105 105 ALA H H 105 9.251 9.251 9.064 0.187 18976 4058 1 5 . 1 1 106 106 ALA N N 106 118.442 118.442 121.003 -2.561 18976 4059 1 5 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.981 0.056 18976 4060 1 5 . 1 1 106 106 ALA C C 106 181.180 181.180 179.276 1.904 18976 4061 1 5 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.872 -0.031 18976 4062 1 5 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.100 -0.057 18976 4063 1 5 . 1 1 106 106 ALA H H 106 8.209 8.209 7.876 0.333 18976 4064 1 5 . 1 1 107 107 GLU N N 107 118.406 118.406 118.409 -0.003 18976 4065 1 5 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.971 0.021 18976 4066 1 5 . 1 1 107 107 GLU C C 107 179.272 179.272 179.084 0.188 18976 4067 1 5 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.105 0.036 18976 4068 1 5 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.149 -0.393 18976 4069 1 5 . 1 1 107 107 GLU H H 107 7.752 7.752 7.988 -0.236 18976 4070 1 5 . 1 1 108 108 LEU N N 108 122.413 122.413 119.899 2.514 18976 4071 1 5 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.007 0.065 18976 4072 1 5 . 1 1 108 108 LEU C C 108 178.553 178.553 178.828 -0.275 18976 4073 1 5 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.893 -0.601 18976 4074 1 5 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.648 -0.205 18976 4075 1 5 . 1 1 108 108 LEU H H 108 8.793 8.793 7.987 0.806 18976 4076 1 5 . 1 1 109 109 ARG N N 109 118.074 118.074 118.711 -0.637 18976 4077 1 5 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.918 -0.061 18976 4078 1 5 . 1 1 109 109 ARG C C 109 179.140 179.140 178.898 0.242 18976 4079 1 5 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.871 -0.085 18976 4080 1 5 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.086 -0.262 18976 4081 1 5 . 1 1 109 109 ARG H H 109 8.421 8.421 7.909 0.512 18976 4082 1 5 . 1 1 110 110 ILE N N 110 120.191 120.191 119.850 0.341 18976 4083 1 5 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.895 -0.108 18976 4084 1 5 . 1 1 110 110 ILE C C 110 177.804 177.804 177.248 0.556 18976 4085 1 5 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.169 0.384 18976 4086 1 5 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.434 -0.376 18976 4087 1 5 . 1 1 110 110 ILE H H 110 7.401 7.401 7.633 -0.232 18976 4088 1 5 . 1 1 111 111 VAL N N 111 120.330 120.330 121.622 -1.292 18976 4089 1 5 . 1 1 111 111 VAL HA H 111 3.763 3.763 4.098 -0.335 18976 4090 1 5 . 1 1 111 111 VAL C C 111 178.802 178.802 177.659 1.143 18976 4091 1 5 . 1 1 111 111 VAL CA C 111 65.690 65.690 64.871 0.819 18976 4092 1 5 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.773 -0.181 18976 4093 1 5 . 1 1 111 111 VAL H H 111 7.907 7.907 7.572 0.335 18976 4094 1 5 . 1 1 112 112 MET N N 112 116.794 116.794 116.363 0.431 18976 4095 1 5 . 1 1 112 112 MET HA H 112 4.396 4.396 4.336 0.060 18976 4096 1 5 . 1 1 112 112 MET C C 112 178.890 178.890 177.603 1.287 18976 4097 1 5 . 1 1 112 112 MET CA C 112 56.719 56.719 56.588 0.131 18976 4098 1 5 . 1 1 112 112 MET CB C 112 30.384 30.384 31.058 -0.674 18976 4099 1 5 . 1 1 112 112 MET H H 112 8.355 8.355 8.386 -0.031 18976 4100 1 5 . 1 1 113 113 THR N N 113 117.282 117.282 114.310 2.972 18976 4101 1 5 . 1 1 113 113 THR HA H 113 4.187 4.187 4.079 0.108 18976 4102 1 5 . 1 1 113 113 THR C C 113 178.112 178.112 176.291 1.821 18976 4103 1 5 . 1 1 113 113 THR CA C 113 65.902 65.902 65.435 0.467 18976 4104 1 5 . 1 1 113 113 THR CB C 113 68.642 68.642 68.867 -0.225 18976 4105 1 5 . 1 1 113 113 THR H H 113 8.314 8.314 7.574 0.740 18976 4106 1 5 . 1 1 114 114 ASN N N 114 122.220 122.220 119.917 2.303 18976 4107 1 5 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.566 0.026 18976 4108 1 5 . 1 1 114 114 ASN C C 114 176.644 176.644 176.953 -0.309 18976 4109 1 5 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.122 0.032 18976 4110 1 5 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.519 -0.923 18976 4111 1 5 . 1 1 114 114 ASN H H 114 8.483 8.483 7.600 0.883 18976 4112 1 5 . 1 1 115 115 ARG N N 115 117.970 117.970 118.747 -0.777 18976 4113 1 5 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.429 0.000 18976 4114 1 5 . 1 1 115 115 ARG C C 115 176.366 176.366 177.144 -0.778 18976 4115 1 5 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.018 0.381 18976 4116 1 5 . 1 1 115 115 ARG CB C 115 30.500 30.500 29.756 0.744 18976 4117 1 5 . 1 1 115 115 ARG H H 115 7.776 7.776 8.109 -0.333 18976 4118 1 5 . 1 1 116 116 GLY N N 116 107.547 107.547 105.489 2.058 18976 4119 1 5 . 1 1 116 116 GLY C C 116 174.384 174.384 174.229 0.155 18976 4120 1 5 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.690 -0.483 18976 4121 1 5 . 1 1 116 116 GLY H H 116 7.968 7.968 7.618 0.350 18976 4122 1 5 . 1 1 117 117 GLU N N 117 119.975 119.975 121.492 -1.517 18976 4123 1 5 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.454 -0.048 18976 4124 1 5 . 1 1 117 117 GLU C C 117 175.558 175.558 175.304 0.254 18976 4125 1 5 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.876 0.301 18976 4126 1 5 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.854 1.546 18976 4127 1 5 . 1 1 117 117 GLU H H 117 7.934 7.934 8.281 -0.347 18976 4128 1 5 . 1 1 118 118 LYS N N 118 124.035 124.035 124.537 -0.502 18976 4129 1 5 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.348 0.056 18976 4130 1 5 . 1 1 118 118 LYS C C 118 175.441 175.441 175.913 -0.472 18976 4131 1 5 . 1 1 118 118 LYS CA C 118 55.267 55.267 55.935 -0.668 18976 4132 1 5 . 1 1 118 118 LYS CB C 118 31.850 31.850 33.100 -1.250 18976 4133 1 5 . 1 1 118 118 LYS H H 118 8.626 8.626 8.231 0.395 18976 4134 1 5 . 1 1 119 119 LEU N N 119 124.745 124.745 126.574 -1.829 18976 4135 1 5 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.651 0.119 18976 4136 1 5 . 1 1 119 119 LEU C C 119 178.127 178.127 176.286 1.841 18976 4137 1 5 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.652 0.187 18976 4138 1 5 . 1 1 119 119 LEU CB C 119 44.323 44.323 42.508 1.815 18976 4139 1 5 . 1 1 119 119 LEU H H 119 8.140 8.140 8.295 -0.155 18976 4140 1 5 . 1 1 120 120 THR N N 120 114.555 114.555 109.533 5.022 18976 4141 1 5 . 1 1 120 120 THR HA H 120 4.477 4.477 4.303 0.174 18976 4142 1 5 . 1 1 120 120 THR C C 120 175.514 175.514 175.463 0.051 18976 4143 1 5 . 1 1 120 120 THR CA C 120 60.613 60.613 61.575 -0.962 18976 4144 1 5 . 1 1 120 120 THR CB C 120 70.902 70.902 69.945 0.957 18976 4145 1 5 . 1 1 120 120 THR H H 120 9.220 9.220 8.027 1.193 18976 4146 1 5 . 1 1 121 121 ASP N N 121 121.128 121.128 122.572 -1.444 18976 4147 1 5 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.330 -0.102 18976 4148 1 5 . 1 1 121 121 ASP C C 121 178.655 178.655 177.865 0.790 18976 4149 1 5 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.433 0.319 18976 4150 1 5 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.724 -1.409 18976 4151 1 5 . 1 1 121 121 ASP H H 121 8.921 8.921 8.818 0.103 18976 4152 1 5 . 1 1 122 122 GLU N N 122 119.266 119.266 120.053 -0.787 18976 4153 1 5 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.076 0.043 18976 4154 1 5 . 1 1 122 122 GLU C C 122 179.184 179.184 178.239 0.945 18976 4155 1 5 . 1 1 122 122 GLU CA C 122 59.772 59.772 58.942 0.830 18976 4156 1 5 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.802 -0.936 18976 4157 1 5 . 1 1 122 122 GLU H H 122 8.712 8.712 8.304 0.408 18976 4158 1 5 . 1 1 123 123 GLU N N 123 120.455 120.455 118.987 1.468 18976 4159 1 5 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.105 -0.082 18976 4160 1 5 . 1 1 123 123 GLU C C 123 180.123 180.123 179.417 0.706 18976 4161 1 5 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.822 0.268 18976 4162 1 5 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.266 0.947 18976 4163 1 5 . 1 1 123 123 GLU H H 123 7.763 7.763 8.031 -0.268 18976 4164 1 5 . 1 1 124 124 VAL N N 124 121.726 121.726 116.304 5.422 18976 4165 1 5 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.956 -0.349 18976 4166 1 5 . 1 1 124 124 VAL C C 124 177.337 177.337 177.553 -0.216 18976 4167 1 5 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.198 0.534 18976 4168 1 5 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.026 0.016 18976 4169 1 5 . 1 1 124 124 VAL H H 124 8.119 8.119 7.918 0.201 18976 4170 1 5 . 1 1 125 125 ASP N N 125 119.880 119.880 120.320 -0.440 18976 4171 1 5 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.472 -0.121 18976 4172 1 5 . 1 1 125 125 ASP C C 125 179.323 179.323 178.047 1.276 18976 4173 1 5 . 1 1 125 125 ASP CA C 125 57.375 57.375 56.948 0.427 18976 4174 1 5 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.742 -0.630 18976 4175 1 5 . 1 1 125 125 ASP H H 125 8.051 8.051 7.850 0.201 18976 4176 1 5 . 1 1 126 126 GLU N N 126 119.798 119.798 119.524 0.274 18976 4177 1 5 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.181 -0.160 18976 4178 1 5 . 1 1 126 126 GLU C C 126 177.966 177.966 178.858 -0.892 18976 4179 1 5 . 1 1 126 126 GLU CA C 126 58.973 58.973 58.499 0.474 18976 4180 1 5 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.188 -0.103 18976 4181 1 5 . 1 1 126 126 GLU H H 126 8.047 8.047 8.169 -0.122 18976 4182 1 5 . 1 1 127 127 MET N N 127 119.443 119.443 118.815 0.628 18976 4183 1 5 . 1 1 127 127 MET HA H 127 4.137 4.137 4.264 -0.127 18976 4184 1 5 . 1 1 127 127 MET C C 127 179.859 179.859 178.770 1.089 18976 4185 1 5 . 1 1 127 127 MET CA C 127 59.137 59.137 57.322 1.815 18976 4186 1 5 . 1 1 127 127 MET CB C 127 32.239 32.239 31.646 0.593 18976 4187 1 5 . 1 1 127 127 MET H H 127 7.795 7.795 7.551 0.244 18976 4188 1 5 . 1 1 128 128 ILE N N 128 120.667 120.667 118.900 1.767 18976 4189 1 5 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.739 -0.218 18976 4190 1 5 . 1 1 128 128 ILE C C 128 177.657 177.657 178.294 -0.637 18976 4191 1 5 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.297 -0.485 18976 4192 1 5 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.445 -0.458 18976 4193 1 5 . 1 1 128 128 ILE H H 128 8.158 8.158 7.857 0.301 18976 4194 1 5 . 1 1 129 129 ARG N N 129 119.725 119.725 117.351 2.374 18976 4195 1 5 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.179 -0.110 18976 4196 1 5 . 1 1 129 129 ARG C C 129 178.920 178.920 177.888 1.032 18976 4197 1 5 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.374 1.241 18976 4198 1 5 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.318 -0.436 18976 4199 1 5 . 1 1 129 129 ARG H H 129 8.270 8.270 7.508 0.762 18976 4200 1 5 . 1 1 130 130 GLU N N 130 115.236 115.236 118.511 -3.275 18976 4201 1 5 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.123 -0.029 18976 4202 1 5 . 1 1 130 130 GLU C C 130 177.349 177.349 177.607 -0.258 18976 4203 1 5 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.849 -0.949 18976 4204 1 5 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.525 0.298 18976 4205 1 5 . 1 1 130 130 GLU H H 130 7.953 7.953 7.944 0.009 18976 4206 1 5 . 1 1 131 131 THR N N 131 112.585 112.585 111.588 0.997 18976 4207 1 5 . 1 1 131 131 THR HA H 131 4.239 4.239 4.301 -0.062 18976 4208 1 5 . 1 1 131 131 THR C C 131 174.149 174.149 173.753 0.396 18976 4209 1 5 . 1 1 131 131 THR CA C 131 62.887 62.887 63.884 -0.997 18976 4210 1 5 . 1 1 131 131 THR CB C 131 69.337 69.337 69.933 -0.596 18976 4211 1 5 . 1 1 131 131 THR H H 131 7.465 7.465 7.567 -0.102 18976 4212 1 5 . 1 1 132 132 ASP N N 132 121.237 121.237 120.620 0.617 18976 4213 1 5 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.749 -0.271 18976 4214 1 5 . 1 1 132 132 ASP C C 132 175.777 175.777 176.685 -0.908 18976 4215 1 5 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.409 0.545 18976 4216 1 5 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.353 -1.913 18976 4217 1 5 . 1 1 132 132 ASP H H 132 8.070 8.070 7.909 0.161 18976 4218 1 5 . 1 1 133 133 ILE N N 133 127.244 127.244 124.053 3.191 18976 4219 1 5 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.069 -0.093 18976 4220 1 5 . 1 1 133 133 ILE C C 133 177.628 177.628 176.507 1.121 18976 4221 1 5 . 1 1 133 133 ILE CA C 133 62.866 62.866 61.409 1.457 18976 4222 1 5 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.271 0.207 18976 4223 1 5 . 1 1 133 133 ILE H H 133 8.345 8.345 8.495 -0.150 18976 4224 1 5 . 1 1 134 134 ASP N N 134 116.893 116.893 118.915 -2.022 18976 4225 1 5 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.564 -0.031 18976 4226 1 5 . 1 1 134 134 ASP C C 134 178.259 178.259 177.333 0.926 18976 4227 1 5 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.506 -0.963 18976 4228 1 5 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.762 -0.924 18976 4229 1 5 . 1 1 134 134 ASP H H 134 8.297 8.297 8.043 0.254 18976 4230 1 5 . 1 1 135 135 GLY N N 135 108.287 108.287 108.383 -0.096 18976 4231 1 5 . 1 1 135 135 GLY C C 135 175.250 175.250 175.306 -0.056 18976 4232 1 5 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.877 1.220 18976 4233 1 5 . 1 1 135 135 GLY H H 135 7.623 7.623 8.063 -0.440 18976 4234 1 5 . 1 1 136 136 ASP N N 136 120.541 120.541 120.364 0.177 18976 4235 1 5 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.564 -0.084 18976 4236 1 5 . 1 1 136 136 ASP C C 136 177.584 177.584 177.855 -0.271 18976 4237 1 5 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.387 -0.012 18976 4238 1 5 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.986 -1.093 18976 4239 1 5 . 1 1 136 136 ASP H H 136 8.290 8.290 8.277 0.013 18976 4240 1 5 . 1 1 137 137 GLY N N 137 112.490 112.490 109.129 3.361 18976 4241 1 5 . 1 1 137 137 GLY C C 137 172.828 172.828 173.380 -0.552 18976 4242 1 5 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.396 0.074 18976 4243 1 5 . 1 1 137 137 GLY H H 137 10.224 10.224 8.085 2.139 18976 4244 1 5 . 1 1 138 138 GLN N N 138 115.266 115.266 117.170 -1.904 18976 4245 1 5 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.249 -0.380 18976 4246 1 5 . 1 1 138 138 GLN C C 138 174.677 174.677 174.981 -0.304 18976 4247 1 5 . 1 1 138 138 GLN CA C 138 52.786 52.786 53.986 -1.200 18976 4248 1 5 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.487 -1.744 18976 4249 1 5 . 1 1 138 138 GLN H H 138 7.992 7.992 8.339 -0.347 18976 4250 1 5 . 1 1 139 139 VAL N N 139 125.667 125.667 123.962 1.705 18976 4251 1 5 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.533 0.579 18976 4252 1 5 . 1 1 139 139 VAL C C 139 175.763 175.763 175.373 0.390 18976 4253 1 5 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.240 0.439 18976 4254 1 5 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.452 1.080 18976 4255 1 5 . 1 1 139 139 VAL H H 139 9.227 9.227 8.720 0.507 18976 4256 1 5 . 1 1 140 140 ASN N N 140 128.431 128.431 124.779 3.652 18976 4257 1 5 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.370 -0.096 18976 4258 1 5 . 1 1 140 140 ASN C C 140 175.079 175.079 176.361 -1.282 18976 4259 1 5 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.208 0.458 18976 4260 1 5 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.301 -3.074 18976 4261 1 5 . 1 1 140 140 ASN H H 140 9.360 9.360 8.619 0.741 18976 4262 1 5 . 1 1 141 141 TYR N N 141 119.146 119.146 121.001 -1.855 18976 4263 1 5 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.786 -0.400 18976 4264 1 5 . 1 1 141 141 TYR C C 141 176.092 176.092 177.741 -1.649 18976 4265 1 5 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.430 -0.372 18976 4266 1 5 . 1 1 141 141 TYR CB C 141 37.359 37.359 37.908 -0.549 18976 4267 1 5 . 1 1 141 141 TYR H H 141 8.451 8.451 8.723 -0.272 18976 4268 1 5 . 1 1 142 142 GLU N N 142 118.431 118.431 120.107 -1.676 18976 4269 1 5 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.965 -0.283 18976 4270 1 5 . 1 1 142 142 GLU C C 142 180.226 180.226 178.234 1.992 18976 4271 1 5 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.891 0.192 18976 4272 1 5 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.053 -0.507 18976 4273 1 5 . 1 1 142 142 GLU H H 142 8.097 8.097 8.765 -0.668 18976 4274 1 5 . 1 1 143 143 GLU N N 143 120.068 120.068 119.418 0.650 18976 4275 1 5 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.149 -0.159 18976 4276 1 5 . 1 1 143 143 GLU C C 143 179.060 179.060 179.046 0.014 18976 4277 1 5 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.227 -0.653 18976 4278 1 5 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.753 -0.572 18976 4279 1 5 . 1 1 143 143 GLU H H 143 8.667 8.667 7.876 0.791 18976 4280 1 5 . 1 1 144 144 PHE N N 144 123.392 123.392 122.209 1.183 18976 4281 1 5 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.238 -0.271 18976 4282 1 5 . 1 1 144 144 PHE C C 144 176.982 176.982 177.691 -0.709 18976 4283 1 5 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.382 0.064 18976 4284 1 5 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.306 0.389 18976 4285 1 5 . 1 1 144 144 PHE H H 144 8.731 8.731 8.875 -0.144 18976 4286 1 5 . 1 1 145 145 VAL N N 145 119.201 119.201 117.584 1.617 18976 4287 1 5 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.614 -0.421 18976 4288 1 5 . 1 1 145 145 VAL C C 145 179.228 179.228 177.901 1.327 18976 4289 1 5 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.303 0.359 18976 4290 1 5 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.387 -0.103 18976 4291 1 5 . 1 1 145 145 VAL H H 145 8.671 8.671 7.933 0.738 18976 4292 1 5 . 1 1 146 146 GLN N N 146 119.252 119.252 118.167 1.085 18976 4293 1 5 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.979 -0.063 18976 4294 1 5 . 1 1 146 146 GLN C C 146 177.825 177.825 178.449 -0.624 18976 4295 1 5 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.858 -0.291 18976 4296 1 5 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.080 -0.260 18976 4297 1 5 . 1 1 146 146 GLN H H 146 7.767 7.767 7.892 -0.125 18976 4298 1 5 . 1 1 147 147 ARG N N 147 118.529 118.529 119.192 -0.663 18976 4299 1 5 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.017 0.155 18976 4300 1 5 . 1 1 147 147 ARG C C 147 178.112 178.112 178.160 -0.048 18976 4301 1 5 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.974 -1.465 18976 4302 1 5 . 1 1 147 147 ARG CB C 147 30.114 30.114 30.054 0.060 18976 4303 1 5 . 1 1 147 147 ARG H H 147 7.628 7.628 7.561 0.067 18976 4304 1 5 . 1 1 148 148 MET N N 148 115.755 115.755 116.337 -0.582 18976 4305 1 5 . 1 1 148 148 MET HA H 148 4.304 4.304 4.232 0.072 18976 4306 1 5 . 1 1 148 148 MET C C 148 177.628 177.628 178.828 -1.200 18976 4307 1 5 . 1 1 148 148 MET CA C 148 55.489 55.489 57.182 -1.693 18976 4308 1 5 . 1 1 148 148 MET CB C 148 31.773 31.773 31.640 0.133 18976 4309 1 5 . 1 1 148 148 MET H H 148 8.003 8.003 7.542 0.461 18976 4310 1 5 . 1 1 149 149 THR N N 149 110.062 110.062 113.960 -3.898 18976 4311 1 5 . 1 1 149 149 THR HA H 149 4.349 4.349 4.224 0.125 18976 4312 1 5 . 1 1 149 149 THR C C 149 174.149 174.149 174.493 -0.344 18976 4313 1 5 . 1 1 149 149 THR CA C 149 61.775 61.775 64.587 -2.812 18976 4314 1 5 . 1 1 149 149 THR CB C 149 69.780 69.780 69.469 0.311 18976 4315 1 5 . 1 1 149 149 THR H H 149 7.682 7.682 7.913 -0.231 18976 4316 1 5 . 1 1 150 150 ALA N N 150 126.503 126.503 122.709 3.794 18976 4317 1 5 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.399 -0.069 18976 4318 1 5 . 1 1 150 150 ALA CA C 150 52.535 52.535 51.749 0.786 18976 4319 1 5 . 1 1 150 150 ALA CB C 150 18.734 18.734 20.295 -1.561 18976 4320 1 5 . 1 1 150 150 ALA H H 150 7.651 7.651 7.120 0.531 18976 4321 1 6 . 1 1 2 2 LEU HA H 2 4.421 4.421 3.879 0.542 18976 4322 1 6 . 1 1 2 2 LEU C C 2 177.129 177.129 177.727 -0.598 18976 4323 1 6 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.179 -0.057 18976 4324 1 6 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.474 0.979 18976 4325 1 6 . 1 1 2 2 LEU H H 2 8.641 8.641 7.930 0.711 18976 4326 1 6 . 1 1 3 3 MET N N 3 120.143 120.143 113.875 6.268 18976 4327 1 6 . 1 1 3 3 MET HA H 3 4.451 4.451 3.923 0.528 18976 4328 1 6 . 1 1 3 3 MET C C 3 176.835 176.835 176.235 0.600 18976 4329 1 6 . 1 1 3 3 MET CA C 3 55.160 55.160 57.613 -2.453 18976 4330 1 6 . 1 1 3 3 MET CB C 3 32.584 32.584 30.932 1.652 18976 4331 1 6 . 1 1 3 3 MET H H 3 8.396 8.396 8.479 -0.083 18976 4332 1 6 . 1 1 4 4 ALA N N 4 123.344 123.344 122.938 0.406 18976 4333 1 6 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.965 0.095 18976 4334 1 6 . 1 1 4 4 ALA C C 4 177.922 177.922 178.587 -0.665 18976 4335 1 6 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.274 -0.724 18976 4336 1 6 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.696 -0.140 18976 4337 1 6 . 1 1 4 4 ALA H H 4 8.396 8.396 8.202 0.194 18976 4338 1 6 . 1 1 5 5 ASP N N 5 116.052 116.052 118.894 -2.842 18976 4339 1 6 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.605 -0.096 18976 4340 1 6 . 1 1 5 5 ASP C C 5 176.366 176.366 177.662 -1.296 18976 4341 1 6 . 1 1 5 5 ASP CA C 5 54.623 54.623 56.781 -2.158 18976 4342 1 6 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.952 -0.689 18976 4343 1 6 . 1 1 5 5 ASP H H 5 8.114 8.114 7.673 0.441 18976 4344 1 6 . 1 1 6 6 GLN N N 6 117.717 117.717 118.556 -0.839 18976 4345 1 6 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.350 0.027 18976 4346 1 6 . 1 1 6 6 GLN C C 6 175.842 175.842 175.655 0.187 18976 4347 1 6 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.518 -0.207 18976 4348 1 6 . 1 1 6 6 GLN CB C 6 29.590 29.590 27.732 1.858 18976 4349 1 6 . 1 1 6 6 GLN H H 6 7.935 7.935 8.292 -0.357 18976 4350 1 6 . 1 1 7 7 LEU N N 7 121.086 121.086 120.076 1.010 18976 4351 1 6 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.506 0.170 18976 4352 1 6 . 1 1 7 7 LEU C C 7 177.496 177.496 177.072 0.424 18976 4353 1 6 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.237 -0.172 18976 4354 1 6 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.623 0.645 18976 4355 1 6 . 1 1 7 7 LEU H H 7 7.713 7.713 7.286 0.427 18976 4356 1 6 . 1 1 8 8 THR N N 8 112.688 112.688 114.405 -1.717 18976 4357 1 6 . 1 1 8 8 THR HA H 8 4.475 4.475 4.497 -0.022 18976 4358 1 6 . 1 1 8 8 THR C C 8 175.511 175.511 175.728 -0.217 18976 4359 1 6 . 1 1 8 8 THR CA C 8 60.256 60.256 61.005 -0.749 18976 4360 1 6 . 1 1 8 8 THR CB C 8 71.019 71.019 70.321 0.698 18976 4361 1 6 . 1 1 8 8 THR H H 8 8.800 8.800 8.080 0.720 18976 4362 1 6 . 1 1 9 9 GLU N N 9 120.380 120.380 124.883 -4.503 18976 4363 1 6 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.164 -0.184 18976 4364 1 6 . 1 1 9 9 GLU C C 9 179.492 179.492 178.349 1.143 18976 4365 1 6 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.539 0.387 18976 4366 1 6 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.564 -0.638 18976 4367 1 6 . 1 1 9 9 GLU H H 9 9.040 9.040 9.009 0.031 18976 4368 1 6 . 1 1 10 10 GLU N N 10 119.361 119.361 119.787 -0.426 18976 4369 1 6 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.033 0.041 18976 4370 1 6 . 1 1 10 10 GLU C C 10 179.185 179.185 179.153 0.032 18976 4371 1 6 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.158 0.609 18976 4372 1 6 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.373 -0.578 18976 4373 1 6 . 1 1 10 10 GLU H H 10 8.729 8.729 7.776 0.953 18976 4374 1 6 . 1 1 11 11 GLN N N 11 120.302 120.302 118.321 1.981 18976 4375 1 6 . 1 1 11 11 GLN HA H 11 3.868 3.868 3.922 -0.054 18976 4376 1 6 . 1 1 11 11 GLN C C 11 178.318 178.318 178.350 -0.032 18976 4377 1 6 . 1 1 11 11 GLN CA C 11 58.384 58.384 57.903 0.481 18976 4378 1 6 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.982 -0.097 18976 4379 1 6 . 1 1 11 11 GLN H H 11 7.747 7.747 7.639 0.108 18976 4380 1 6 . 1 1 12 12 ILE N N 12 119.533 119.533 120.686 -1.153 18976 4381 1 6 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.013 -0.295 18976 4382 1 6 . 1 1 12 12 ILE C C 12 177.731 177.731 177.639 0.092 18976 4383 1 6 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.998 0.962 18976 4384 1 6 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.944 -0.433 18976 4385 1 6 . 1 1 12 12 ILE H H 12 8.456 8.456 7.855 0.601 18976 4386 1 6 . 1 1 13 13 ALA N N 13 121.161 121.161 121.690 -0.529 18976 4387 1 6 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.011 0.128 18976 4388 1 6 . 1 1 13 13 ALA C C 13 181.019 181.019 179.249 1.770 18976 4389 1 6 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.535 -0.412 18976 4390 1 6 . 1 1 13 13 ALA CB C 13 17.504 17.504 17.860 -0.356 18976 4391 1 6 . 1 1 13 13 ALA H H 13 8.018 8.018 8.087 -0.069 18976 4392 1 6 . 1 1 14 14 GLU N N 14 119.619 119.619 118.867 0.752 18976 4393 1 6 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.079 0.085 18976 4394 1 6 . 1 1 14 14 GLU C C 14 180.534 180.534 178.948 1.586 18976 4395 1 6 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.995 0.130 18976 4396 1 6 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.418 -0.565 18976 4397 1 6 . 1 1 14 14 GLU H H 14 7.792 7.792 7.729 0.063 18976 4398 1 6 . 1 1 15 15 PHE N N 15 120.089 120.089 118.224 1.865 18976 4399 1 6 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.798 0.266 18976 4400 1 6 . 1 1 15 15 PHE C C 15 178.700 178.700 178.367 0.333 18976 4401 1 6 . 1 1 15 15 PHE CA C 15 58.857 58.857 58.956 -0.099 18976 4402 1 6 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.698 -1.222 18976 4403 1 6 . 1 1 15 15 PHE H H 15 8.587 8.587 7.906 0.681 18976 4404 1 6 . 1 1 16 16 LYS N N 16 123.715 123.715 120.887 2.828 18976 4405 1 6 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.210 -0.165 18976 4406 1 6 . 1 1 16 16 LYS C C 16 179.327 179.327 179.003 0.324 18976 4407 1 6 . 1 1 16 16 LYS CA C 16 59.870 59.870 60.390 -0.520 18976 4408 1 6 . 1 1 16 16 LYS CB C 16 31.573 31.573 32.162 -0.589 18976 4409 1 6 . 1 1 16 16 LYS H H 16 9.256 9.256 8.696 0.560 18976 4410 1 6 . 1 1 17 17 GLU N N 17 120.262 120.262 117.496 2.766 18976 4411 1 6 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.388 -0.232 18976 4412 1 6 . 1 1 17 17 GLU C C 17 179.456 179.456 178.733 0.723 18976 4413 1 6 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.398 0.609 18976 4414 1 6 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.584 -0.775 18976 4415 1 6 . 1 1 17 17 GLU H H 17 7.774 7.774 7.792 -0.018 18976 4416 1 6 . 1 1 18 18 ALA N N 18 122.590 122.590 122.491 0.099 18976 4417 1 6 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.323 -0.008 18976 4418 1 6 . 1 1 18 18 ALA C C 18 179.060 179.060 179.729 -0.669 18976 4419 1 6 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.969 -0.141 18976 4420 1 6 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.615 -0.817 18976 4421 1 6 . 1 1 18 18 ALA H H 18 8.001 8.001 8.446 -0.445 18976 4422 1 6 . 1 1 19 19 PHE N N 19 119.363 119.363 118.701 0.662 18976 4423 1 6 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.845 -0.611 18976 4424 1 6 . 1 1 19 19 PHE C C 19 177.290 177.290 177.230 0.060 18976 4425 1 6 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.651 1.107 18976 4426 1 6 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.944 0.194 18976 4427 1 6 . 1 1 19 19 PHE H H 19 8.859 8.859 8.356 0.503 18976 4428 1 6 . 1 1 20 20 SER N N 20 112.556 112.556 114.609 -2.053 18976 4429 1 6 . 1 1 20 20 SER HA H 20 4.142 4.142 4.248 -0.106 18976 4430 1 6 . 1 1 20 20 SER C C 20 174.955 174.955 175.668 -0.713 18976 4431 1 6 . 1 1 20 20 SER CA C 20 61.007 61.007 61.584 -0.577 18976 4432 1 6 . 1 1 20 20 SER CB C 20 62.960 62.960 63.558 -0.598 18976 4433 1 6 . 1 1 20 20 SER H H 20 7.934 7.934 7.674 0.260 18976 4434 1 6 . 1 1 21 21 LEU N N 21 120.816 120.816 117.688 3.128 18976 4435 1 6 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.264 -0.248 18976 4436 1 6 . 1 1 21 21 LEU C C 21 178.010 178.010 178.233 -0.223 18976 4437 1 6 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.514 -0.719 18976 4438 1 6 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.609 -0.477 18976 4439 1 6 . 1 1 21 21 LEU H H 21 7.434 7.434 7.518 -0.084 18976 4440 1 6 . 1 1 22 22 PHE N N 22 115.049 115.049 120.032 -4.983 18976 4441 1 6 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.295 -0.051 18976 4442 1 6 . 1 1 22 22 PHE C C 22 176.762 176.762 175.685 1.077 18976 4443 1 6 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.513 -1.493 18976 4444 1 6 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.837 0.893 18976 4445 1 6 . 1 1 22 22 PHE H H 22 7.326 7.326 7.955 -0.629 18976 4446 1 6 . 1 1 23 23 ASP N N 23 117.496 117.496 118.338 -0.842 18976 4447 1 6 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.870 -0.319 18976 4448 1 6 . 1 1 23 23 ASP C C 23 177.167 177.167 176.598 0.569 18976 4449 1 6 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.358 -1.317 18976 4450 1 6 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.783 -2.185 18976 4451 1 6 . 1 1 23 23 ASP H H 23 7.851 7.851 8.013 -0.162 18976 4452 1 6 . 1 1 24 24 LYS N N 24 124.470 124.470 125.016 -0.546 18976 4453 1 6 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.065 -0.081 18976 4454 1 6 . 1 1 24 24 LYS C C 24 178.127 178.127 177.853 0.274 18976 4455 1 6 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.134 0.024 18976 4456 1 6 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.331 0.052 18976 4457 1 6 . 1 1 24 24 LYS H H 24 7.687 7.687 8.261 -0.574 18976 4458 1 6 . 1 1 25 25 ASP N N 25 113.822 113.822 115.811 -1.989 18976 4459 1 6 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.548 0.058 18976 4460 1 6 . 1 1 25 25 ASP C C 25 177.687 177.687 177.540 0.147 18976 4461 1 6 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.293 -1.834 18976 4462 1 6 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.582 -1.391 18976 4463 1 6 . 1 1 25 25 ASP H H 25 8.067 8.067 7.912 0.155 18976 4464 1 6 . 1 1 26 26 GLY N N 26 109.208 109.208 108.927 0.281 18976 4465 1 6 . 1 1 26 26 GLY C C 26 175.132 175.132 175.047 0.085 18976 4466 1 6 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.008 0.867 18976 4467 1 6 . 1 1 26 26 GLY H H 26 7.698 7.698 8.323 -0.625 18976 4468 1 6 . 1 1 27 27 ASP N N 27 120.603 120.603 119.712 0.891 18976 4469 1 6 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.691 -0.168 18976 4470 1 6 . 1 1 27 27 ASP C C 27 177.452 177.452 177.770 -0.318 18976 4471 1 6 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.423 0.070 18976 4472 1 6 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.411 -1.163 18976 4473 1 6 . 1 1 27 27 ASP H H 27 8.397 8.397 8.507 -0.110 18976 4474 1 6 . 1 1 28 28 GLY N N 28 113.187 113.187 109.400 3.787 18976 4475 1 6 . 1 1 28 28 GLY C C 28 173.679 173.679 173.729 -0.050 18976 4476 1 6 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.151 0.030 18976 4477 1 6 . 1 1 28 28 GLY H H 28 10.648 10.648 8.169 2.479 18976 4478 1 6 . 1 1 29 29 THR N N 29 112.865 112.865 111.884 0.981 18976 4479 1 6 . 1 1 29 29 THR HA H 29 5.310 5.310 5.287 0.023 18976 4480 1 6 . 1 1 29 29 THR C C 29 172.872 172.872 174.108 -1.236 18976 4481 1 6 . 1 1 29 29 THR CA C 29 59.764 59.764 59.786 -0.022 18976 4482 1 6 . 1 1 29 29 THR CB C 29 72.319 72.319 72.001 0.318 18976 4483 1 6 . 1 1 29 29 THR H H 29 8.144 8.144 8.245 -0.101 18976 4484 1 6 . 1 1 30 30 ILE N N 30 127.035 127.035 127.790 -0.755 18976 4485 1 6 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.751 0.229 18976 4486 1 6 . 1 1 30 30 ILE C C 30 176.072 176.072 176.470 -0.398 18976 4487 1 6 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.645 -0.501 18976 4488 1 6 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.647 1.655 18976 4489 1 6 . 1 1 30 30 ILE H H 30 9.821 9.821 9.040 0.781 18976 4490 1 6 . 1 1 31 31 THR N N 31 116.509 116.509 119.314 -2.805 18976 4491 1 6 . 1 1 31 31 THR HA H 31 4.800 4.800 4.713 0.087 18976 4492 1 6 . 1 1 31 31 THR C C 31 176.542 176.542 176.368 0.174 18976 4493 1 6 . 1 1 31 31 THR CA C 31 59.396 59.396 60.273 -0.877 18976 4494 1 6 . 1 1 31 31 THR CB C 31 72.162 72.162 70.441 1.721 18976 4495 1 6 . 1 1 31 31 THR H H 31 8.469 8.469 8.892 -0.423 18976 4496 1 6 . 1 1 32 32 THR N N 32 112.790 112.790 112.354 0.436 18976 4497 1 6 . 1 1 32 32 THR HA H 32 3.803 3.803 3.962 -0.159 18976 4498 1 6 . 1 1 32 32 THR C C 32 177.188 177.188 176.620 0.568 18976 4499 1 6 . 1 1 32 32 THR CA C 32 66.253 66.253 66.479 -0.226 18976 4500 1 6 . 1 1 32 32 THR CB C 32 67.459 67.459 68.485 -1.026 18976 4501 1 6 . 1 1 32 32 THR H H 32 9.128 9.128 8.900 0.228 18976 4502 1 6 . 1 1 33 33 LYS N N 33 120.844 120.844 120.579 0.265 18976 4503 1 6 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.080 0.068 18976 4504 1 6 . 1 1 33 33 LYS C C 33 179.880 179.880 178.795 1.085 18976 4505 1 6 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.467 -0.528 18976 4506 1 6 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.274 -0.039 18976 4507 1 6 . 1 1 33 33 LYS H H 33 7.695 7.695 8.183 -0.488 18976 4508 1 6 . 1 1 34 34 GLU N N 34 121.463 121.463 119.923 1.540 18976 4509 1 6 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.163 -0.095 18976 4510 1 6 . 1 1 34 34 GLU C C 34 179.140 179.140 179.095 0.045 18976 4511 1 6 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.918 0.221 18976 4512 1 6 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.699 -0.154 18976 4513 1 6 . 1 1 34 34 GLU H H 34 7.687 7.687 7.679 0.008 18976 4514 1 6 . 1 1 35 35 LEU N N 35 120.583 120.583 121.113 -0.530 18976 4515 1 6 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.222 -0.099 18976 4516 1 6 . 1 1 35 35 LEU C C 35 178.934 178.934 179.020 -0.086 18976 4517 1 6 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.297 -0.470 18976 4518 1 6 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.778 0.602 18976 4519 1 6 . 1 1 35 35 LEU H H 35 8.745 8.745 8.368 0.377 18976 4520 1 6 . 1 1 36 36 GLY N N 36 128.127 128.127 105.137 22.990 18976 4521 1 6 . 1 1 36 36 GLY C C 36 175.177 175.177 176.041 -0.864 18976 4522 1 6 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.363 0.640 18976 4523 1 6 . 1 1 36 36 GLY H H 36 8.670 8.670 8.324 0.346 18976 4524 1 6 . 1 1 37 37 THR N N 37 117.925 117.925 119.171 -1.246 18976 4525 1 6 . 1 1 37 37 THR HA H 37 3.938 3.938 3.971 -0.033 18976 4526 1 6 . 1 1 37 37 THR C C 37 177.137 177.137 176.456 0.681 18976 4527 1 6 . 1 1 37 37 THR CA C 37 66.648 66.648 67.165 -0.517 18976 4528 1 6 . 1 1 37 37 THR CB C 37 68.383 68.383 68.658 -0.275 18976 4529 1 6 . 1 1 37 37 THR H H 37 7.930 7.930 7.661 0.269 18976 4530 1 6 . 1 1 38 38 VAL N N 38 122.046 122.046 121.581 0.465 18976 4531 1 6 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.447 0.076 18976 4532 1 6 . 1 1 38 38 VAL C C 38 179.243 179.243 177.870 1.373 18976 4533 1 6 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.072 -0.110 18976 4534 1 6 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.149 -0.079 18976 4535 1 6 . 1 1 38 38 VAL H H 38 7.643 7.643 7.483 0.160 18976 4536 1 6 . 1 1 39 39 MET N N 39 118.442 118.442 116.545 1.897 18976 4537 1 6 . 1 1 39 39 MET HA H 39 4.133 4.133 4.116 0.017 18976 4538 1 6 . 1 1 39 39 MET C C 39 179.125 179.125 178.145 0.980 18976 4539 1 6 . 1 1 39 39 MET CA C 39 58.886 58.886 58.790 0.096 18976 4540 1 6 . 1 1 39 39 MET CB C 39 31.211 31.211 32.537 -1.326 18976 4541 1 6 . 1 1 39 39 MET H H 39 8.497 8.497 7.953 0.544 18976 4542 1 6 . 1 1 40 40 ARG N N 40 118.929 118.929 120.105 -1.176 18976 4543 1 6 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.255 0.578 18976 4544 1 6 . 1 1 40 40 ARG C C 40 181.224 181.224 178.803 2.421 18976 4545 1 6 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.402 -0.516 18976 4546 1 6 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.197 -1.362 18976 4547 1 6 . 1 1 40 40 ARG H H 40 8.536 8.536 7.633 0.903 18976 4548 1 6 . 1 1 41 41 SER N N 41 118.832 118.832 115.359 3.473 18976 4549 1 6 . 1 1 41 41 SER HA H 41 4.425 4.425 4.260 0.165 18976 4550 1 6 . 1 1 41 41 SER C C 41 174.839 174.839 174.982 -0.143 18976 4551 1 6 . 1 1 41 41 SER CA C 41 61.249 61.249 60.863 0.386 18976 4552 1 6 . 1 1 41 41 SER CB C 41 62.464 62.464 62.610 -0.146 18976 4553 1 6 . 1 1 41 41 SER H H 41 7.925 7.925 7.616 0.309 18976 4554 1 6 . 1 1 42 42 LEU N N 42 120.676 120.676 120.592 0.084 18976 4555 1 6 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.447 0.070 18976 4556 1 6 . 1 1 42 42 LEU C C 42 177.540 177.540 176.954 0.586 18976 4557 1 6 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.447 -0.215 18976 4558 1 6 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.366 0.304 18976 4559 1 6 . 1 1 42 42 LEU H H 42 7.395 7.395 7.146 0.249 18976 4560 1 6 . 1 1 43 43 GLY N N 43 106.840 106.840 106.944 -0.104 18976 4561 1 6 . 1 1 43 43 GLY C C 43 174.384 174.384 174.298 0.086 18976 4562 1 6 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.035 0.273 18976 4563 1 6 . 1 1 43 43 GLY H H 43 7.885 7.885 7.713 0.172 18976 4564 1 6 . 1 1 44 44 GLN N N 44 118.414 118.414 118.664 -0.250 18976 4565 1 6 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.555 -0.053 18976 4566 1 6 . 1 1 44 44 GLN C C 44 174.134 174.134 174.449 -0.315 18976 4567 1 6 . 1 1 44 44 GLN CA C 44 54.184 54.184 53.916 0.268 18976 4568 1 6 . 1 1 44 44 GLN CB C 44 30.274 30.274 31.283 -1.009 18976 4569 1 6 . 1 1 44 44 GLN H H 44 7.805 7.805 7.669 0.136 18976 4570 1 6 . 1 1 45 45 ASN N N 45 116.265 116.265 118.760 -2.495 18976 4571 1 6 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.023 0.178 18976 4572 1 6 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.621 0.336 18976 4573 1 6 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.365 -0.456 18976 4574 1 6 . 1 1 45 45 ASN H H 45 8.733 8.733 8.648 0.085 18976 4575 1 6 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.774 0.013 18976 4576 1 6 . 1 1 46 46 PRO C C 46 177.745 177.745 175.573 2.172 18976 4577 1 6 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.184 -0.080 18976 4578 1 6 . 1 1 46 46 PRO CB C 46 31.703 31.703 34.405 -2.702 18976 4579 1 6 . 1 1 47 47 THR N N 47 112.958 112.958 111.828 1.130 18976 4580 1 6 . 1 1 47 47 THR HA H 47 4.451 4.451 4.570 -0.119 18976 4581 1 6 . 1 1 47 47 THR C C 47 175.159 175.159 175.784 -0.625 18976 4582 1 6 . 1 1 47 47 THR CA C 47 60.078 60.078 59.604 0.474 18976 4583 1 6 . 1 1 47 47 THR CB C 47 71.001 71.001 71.964 -0.963 18976 4584 1 6 . 1 1 47 47 THR H H 47 8.767 8.767 7.960 0.807 18976 4585 1 6 . 1 1 48 48 GLU N N 48 120.607 120.607 121.755 -1.148 18976 4586 1 6 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.988 0.018 18976 4587 1 6 . 1 1 48 48 GLU C C 48 178.949 178.949 178.299 0.650 18976 4588 1 6 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.698 0.043 18976 4589 1 6 . 1 1 48 48 GLU CB C 48 28.692 28.692 28.428 0.264 18976 4590 1 6 . 1 1 48 48 GLU H H 48 8.824 8.824 8.944 -0.120 18976 4591 1 6 . 1 1 49 49 ALA N N 49 120.678 120.678 121.329 -0.651 18976 4592 1 6 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.147 -0.028 18976 4593 1 6 . 1 1 49 49 ALA C C 49 180.226 180.226 179.765 0.461 18976 4594 1 6 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.747 -0.031 18976 4595 1 6 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.087 -0.214 18976 4596 1 6 . 1 1 49 49 ALA H H 49 8.279 8.279 8.174 0.105 18976 4597 1 6 . 1 1 50 50 GLU N N 50 118.703 118.703 119.508 -0.805 18976 4598 1 6 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.104 -0.052 18976 4599 1 6 . 1 1 50 50 GLU C C 50 180.182 180.182 178.944 1.238 18976 4600 1 6 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.791 0.066 18976 4601 1 6 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.408 -0.040 18976 4602 1 6 . 1 1 50 50 GLU H H 50 7.712 7.712 7.509 0.203 18976 4603 1 6 . 1 1 51 51 LEU N N 51 120.420 120.420 117.656 2.764 18976 4604 1 6 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.182 -0.088 18976 4605 1 6 . 1 1 51 51 LEU C C 51 178.494 178.494 179.273 -0.779 18976 4606 1 6 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.377 1.302 18976 4607 1 6 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.393 1.663 18976 4608 1 6 . 1 1 51 51 LEU H H 51 8.192 8.192 7.934 0.258 18976 4609 1 6 . 1 1 52 52 GLN N N 52 118.200 118.200 119.563 -1.363 18976 4610 1 6 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.005 -0.167 18976 4611 1 6 . 1 1 52 52 GLN C C 52 178.518 178.518 177.646 0.872 18976 4612 1 6 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.799 -0.602 18976 4613 1 6 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.022 -0.118 18976 4614 1 6 . 1 1 52 52 GLN H H 52 8.212 8.212 7.845 0.367 18976 4615 1 6 . 1 1 53 53 ASP N N 53 119.922 119.922 120.219 -0.297 18976 4616 1 6 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.486 -0.056 18976 4617 1 6 . 1 1 53 53 ASP C C 53 178.635 178.635 178.329 0.306 18976 4618 1 6 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.002 0.260 18976 4619 1 6 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.791 -0.829 18976 4620 1 6 . 1 1 53 53 ASP H H 53 8.108 8.108 7.681 0.427 18976 4621 1 6 . 1 1 54 54 MET N N 54 119.290 119.290 117.017 2.273 18976 4622 1 6 . 1 1 54 54 MET HA H 54 4.044 4.044 4.392 -0.348 18976 4623 1 6 . 1 1 54 54 MET C C 54 178.876 178.876 178.248 0.628 18976 4624 1 6 . 1 1 54 54 MET CA C 54 59.108 59.108 58.692 0.416 18976 4625 1 6 . 1 1 54 54 MET CB C 54 32.930 32.930 32.630 0.300 18976 4626 1 6 . 1 1 54 54 MET H H 54 7.865 7.865 7.411 0.454 18976 4627 1 6 . 1 1 55 55 ILE N N 55 118.056 118.056 120.181 -2.125 18976 4628 1 6 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.735 -0.220 18976 4629 1 6 . 1 1 55 55 ILE C C 55 177.760 177.760 177.422 0.338 18976 4630 1 6 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.388 0.092 18976 4631 1 6 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.041 -1.061 18976 4632 1 6 . 1 1 55 55 ILE H H 55 7.710 7.710 7.431 0.279 18976 4633 1 6 . 1 1 56 56 ASN N N 56 117.688 117.688 117.112 0.576 18976 4634 1 6 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.383 0.009 18976 4635 1 6 . 1 1 56 56 ASN C C 56 177.393 177.393 176.584 0.809 18976 4636 1 6 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.337 -0.751 18976 4637 1 6 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.458 -0.803 18976 4638 1 6 . 1 1 56 56 ASN H H 56 8.606 8.606 8.322 0.284 18976 4639 1 6 . 1 1 57 57 GLU N N 57 116.316 116.316 117.059 -0.743 18976 4640 1 6 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.188 -0.145 18976 4641 1 6 . 1 1 57 57 GLU C C 57 177.569 177.569 178.205 -0.636 18976 4642 1 6 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.484 0.148 18976 4643 1 6 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.908 0.191 18976 4644 1 6 . 1 1 57 57 GLU H H 57 7.580 7.580 7.605 -0.025 18976 4645 1 6 . 1 1 58 58 VAL N N 58 108.390 108.390 114.035 -5.645 18976 4646 1 6 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.238 0.244 18976 4647 1 6 . 1 1 58 58 VAL C C 58 175.749 175.749 176.147 -0.398 18976 4648 1 6 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.361 -1.944 18976 4649 1 6 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.642 -0.276 18976 4650 1 6 . 1 1 58 58 VAL H H 58 7.219 7.219 7.375 -0.156 18976 4651 1 6 . 1 1 59 59 ASP N N 59 121.728 121.728 121.763 -0.035 18976 4652 1 6 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.799 -0.157 18976 4653 1 6 . 1 1 59 59 ASP C C 59 176.219 176.219 176.131 0.088 18976 4654 1 6 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.353 -0.885 18976 4655 1 6 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.023 -1.159 18976 4656 1 6 . 1 1 59 59 ASP H H 59 7.674 7.674 7.973 -0.299 18976 4657 1 6 . 1 1 60 60 ALA N N 60 109.214 109.214 129.083 -19.869 18976 4658 1 6 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.137 0.079 18976 4659 1 6 . 1 1 60 60 ALA C C 60 178.626 178.626 178.534 0.092 18976 4660 1 6 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.900 0.085 18976 4661 1 6 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.507 -0.361 18976 4662 1 6 . 1 1 60 60 ALA H H 60 8.481 8.481 8.120 0.361 18976 4663 1 6 . 1 1 61 61 ASP N N 61 113.667 113.667 116.572 -2.905 18976 4664 1 6 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.478 0.145 18976 4665 1 6 . 1 1 61 61 ASP C C 61 177.848 177.848 177.925 -0.077 18976 4666 1 6 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.190 -1.779 18976 4667 1 6 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.958 -1.407 18976 4668 1 6 . 1 1 61 61 ASP H H 61 8.158 8.158 7.838 0.320 18976 4669 1 6 . 1 1 62 62 GLY N N 62 108.314 108.314 109.460 -1.146 18976 4670 1 6 . 1 1 62 62 GLY C C 62 174.933 174.933 175.130 -0.197 18976 4671 1 6 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.687 1.255 18976 4672 1 6 . 1 1 62 62 GLY H H 62 7.585 7.585 8.293 -0.708 18976 4673 1 6 . 1 1 63 63 ASN N N 63 118.384 118.384 118.977 -0.593 18976 4674 1 6 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.733 -0.076 18976 4675 1 6 . 1 1 63 63 ASN C C 63 176.835 176.835 176.874 -0.039 18976 4676 1 6 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.777 -0.554 18976 4677 1 6 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.144 -1.778 18976 4678 1 6 . 1 1 63 63 ASN H H 63 8.086 8.086 8.287 -0.201 18976 4679 1 6 . 1 1 64 64 GLY N N 64 113.412 113.412 108.650 4.762 18976 4680 1 6 . 1 1 64 64 GLY C C 64 173.254 173.254 173.383 -0.129 18976 4681 1 6 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.231 0.166 18976 4682 1 6 . 1 1 64 64 GLY H H 64 10.618 10.618 8.864 1.754 18976 4683 1 6 . 1 1 65 65 THR N N 65 108.877 108.877 113.481 -4.604 18976 4684 1 6 . 1 1 65 65 THR HA H 65 4.766 4.766 4.667 0.099 18976 4685 1 6 . 1 1 65 65 THR C C 65 173.195 173.195 173.088 0.107 18976 4686 1 6 . 1 1 65 65 THR CA C 65 59.301 59.301 61.131 -1.830 18976 4687 1 6 . 1 1 65 65 THR CB C 65 71.695 71.695 72.346 -0.650 18976 4688 1 6 . 1 1 65 65 THR H H 65 7.684 7.684 7.999 -0.315 18976 4689 1 6 . 1 1 66 66 ILE N N 66 123.673 123.673 124.896 -1.223 18976 4690 1 6 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.511 0.679 18976 4691 1 6 . 1 1 66 66 ILE C C 66 175.529 175.529 175.373 0.156 18976 4692 1 6 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.222 -1.538 18976 4693 1 6 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.241 1.176 18976 4694 1 6 . 1 1 66 66 ILE H H 66 8.912 8.912 8.455 0.457 18976 4695 1 6 . 1 1 67 67 ASP N N 67 128.135 128.135 128.535 -0.400 18976 4696 1 6 . 1 1 67 67 ASP HA H 67 5.384 5.384 4.978 0.406 18976 4697 1 6 . 1 1 67 67 ASP C C 67 176.322 176.322 177.712 -1.390 18976 4698 1 6 . 1 1 67 67 ASP CA C 67 51.843 51.843 54.093 -2.250 18976 4699 1 6 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.189 -0.402 18976 4700 1 6 . 1 1 67 67 ASP H H 67 8.824 8.824 8.690 0.134 18976 4701 1 6 . 1 1 68 68 PHE N N 68 118.627 118.627 120.327 -1.700 18976 4702 1 6 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.728 -0.704 18976 4703 1 6 . 1 1 68 68 PHE CA C 68 63.170 63.170 63.015 0.155 18976 4704 1 6 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.414 -1.813 18976 4705 1 6 . 1 1 68 68 PHE H H 68 8.943 8.943 8.640 0.303 18976 4706 1 6 . 1 1 69 69 PRO HA H 69 3.876 3.876 4.217 -0.341 18976 4707 1 6 . 1 1 69 69 PRO C C 69 180.037 180.037 178.937 1.100 18976 4708 1 6 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.632 0.759 18976 4709 1 6 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.989 -0.615 18976 4710 1 6 . 1 1 70 70 GLU N N 70 117.615 117.615 118.741 -1.126 18976 4711 1 6 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.104 0.004 18976 4712 1 6 . 1 1 70 70 GLU C C 70 178.773 178.773 178.624 0.149 18976 4713 1 6 . 1 1 70 70 GLU CA C 70 58.566 58.566 59.010 -0.444 18976 4714 1 6 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.169 -0.143 18976 4715 1 6 . 1 1 70 70 GLU H H 70 7.969 7.969 8.264 -0.295 18976 4716 1 6 . 1 1 71 71 PHE N N 71 123.460 123.460 121.977 1.483 18976 4717 1 6 . 1 1 71 71 PHE HA H 71 3.974 3.974 3.969 0.005 18976 4718 1 6 . 1 1 71 71 PHE C C 71 177.041 177.041 176.823 0.218 18976 4719 1 6 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.050 -0.023 18976 4720 1 6 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.141 0.566 18976 4721 1 6 . 1 1 71 71 PHE H H 71 8.861 8.861 8.077 0.784 18976 4722 1 6 . 1 1 72 72 LEU N N 72 118.749 118.749 118.617 0.132 18976 4723 1 6 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.280 0.088 18976 4724 1 6 . 1 1 72 72 LEU C C 72 178.949 178.949 178.888 0.061 18976 4725 1 6 . 1 1 72 72 LEU CA C 72 57.596 57.596 58.241 -0.645 18976 4726 1 6 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.463 0.279 18976 4727 1 6 . 1 1 72 72 LEU H H 72 8.411 8.411 8.031 0.380 18976 4728 1 6 . 1 1 73 73 THR N N 73 115.213 115.213 111.551 3.662 18976 4729 1 6 . 1 1 73 73 THR HA H 73 3.753 3.753 3.925 -0.172 18976 4730 1 6 . 1 1 73 73 THR C C 73 175.955 175.955 176.802 -0.847 18976 4731 1 6 . 1 1 73 73 THR CA C 73 66.313 66.313 65.188 1.125 18976 4732 1 6 . 1 1 73 73 THR CB C 73 68.075 68.075 68.822 -0.747 18976 4733 1 6 . 1 1 73 73 THR H H 73 7.522 7.522 7.409 0.113 18976 4734 1 6 . 1 1 74 74 MET N N 74 121.455 121.455 123.014 -1.559 18976 4735 1 6 . 1 1 74 74 MET HA H 74 3.773 3.773 4.076 -0.303 18976 4736 1 6 . 1 1 74 74 MET C C 74 178.098 178.098 177.258 0.840 18976 4737 1 6 . 1 1 74 74 MET CA C 74 58.603 58.603 58.101 0.502 18976 4738 1 6 . 1 1 74 74 MET CB C 74 32.905 32.905 32.245 0.660 18976 4739 1 6 . 1 1 74 74 MET H H 74 7.783 7.783 7.927 -0.144 18976 4740 1 6 . 1 1 75 75 MET N N 75 116.557 116.557 116.568 -0.011 18976 4741 1 6 . 1 1 75 75 MET HA H 75 3.998 3.998 4.125 -0.127 18976 4742 1 6 . 1 1 75 75 MET C C 75 178.700 178.700 177.927 0.773 18976 4743 1 6 . 1 1 75 75 MET CA C 75 55.472 55.472 58.580 -3.108 18976 4744 1 6 . 1 1 75 75 MET CB C 75 30.693 30.693 31.884 -1.191 18976 4745 1 6 . 1 1 75 75 MET H H 75 8.077 8.077 7.919 0.158 18976 4746 1 6 . 1 1 76 76 ALA N N 76 122.410 122.410 120.440 1.970 18976 4747 1 6 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.912 0.177 18976 4748 1 6 . 1 1 76 76 ALA C C 76 179.683 179.683 178.083 1.600 18976 4749 1 6 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.141 0.235 18976 4750 1 6 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.427 -0.648 18976 4751 1 6 . 1 1 76 76 ALA H H 76 8.303 8.303 7.325 0.978 18976 4752 1 6 . 1 1 77 77 ARG N N 77 116.451 116.451 117.912 -1.461 18976 4753 1 6 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.023 0.079 18976 4754 1 6 . 1 1 77 77 ARG C C 77 177.701 177.701 179.062 -1.361 18976 4755 1 6 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.637 -0.595 18976 4756 1 6 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.448 -0.440 18976 4757 1 6 . 1 1 77 77 ARG H H 77 7.622 7.622 7.485 0.137 18976 4758 1 6 . 1 1 78 78 LYS N N 78 118.021 118.021 119.223 -1.202 18976 4759 1 6 . 1 1 78 78 LYS HA H 78 4.239 4.239 3.987 0.252 18976 4760 1 6 . 1 1 78 78 LYS C C 78 177.525 177.525 179.130 -1.605 18976 4761 1 6 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.901 -2.180 18976 4762 1 6 . 1 1 78 78 LYS CB C 78 32.213 32.213 31.920 0.293 18976 4763 1 6 . 1 1 78 78 LYS H H 78 7.577 7.577 7.758 -0.181 18976 4764 1 6 . 1 1 79 79 MET N N 79 118.929 118.929 116.590 2.339 18976 4765 1 6 . 1 1 79 79 MET HA H 79 4.351 4.351 4.519 -0.168 18976 4766 1 6 . 1 1 79 79 MET C C 79 176.322 176.322 176.312 0.010 18976 4767 1 6 . 1 1 79 79 MET CA C 79 56.345 56.345 55.903 0.443 18976 4768 1 6 . 1 1 79 79 MET CB C 79 32.946 32.946 32.022 0.924 18976 4769 1 6 . 1 1 79 79 MET H H 79 7.772 7.772 7.928 -0.156 18976 4770 1 6 . 1 1 80 80 LYS N N 80 120.686 120.686 119.657 1.029 18976 4771 1 6 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.053 0.274 18976 4772 1 6 . 1 1 80 80 LYS C C 80 176.395 176.395 177.511 -1.116 18976 4773 1 6 . 1 1 80 80 LYS CA C 80 56.144 56.144 59.193 -3.049 18976 4774 1 6 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.856 0.952 18976 4775 1 6 . 1 1 80 80 LYS H H 80 7.955 7.955 7.662 0.293 18976 4776 1 6 . 1 1 81 81 ASP N N 81 121.721 121.721 118.734 2.987 18976 4777 1 6 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.410 0.279 18976 4778 1 6 . 1 1 81 81 ASP C C 81 176.644 176.644 177.664 -1.020 18976 4779 1 6 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.136 -2.850 18976 4780 1 6 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.170 -0.377 18976 4781 1 6 . 1 1 81 81 ASP H H 81 8.341 8.341 7.815 0.526 18976 4782 1 6 . 1 1 82 82 THR N N 82 114.594 114.594 109.806 4.788 18976 4783 1 6 . 1 1 82 82 THR HA H 82 4.323 4.323 4.133 0.190 18976 4784 1 6 . 1 1 82 82 THR C C 82 174.584 174.584 176.723 -2.139 18976 4785 1 6 . 1 1 82 82 THR CA C 82 61.955 61.955 64.377 -2.422 18976 4786 1 6 . 1 1 82 82 THR CB C 82 69.586 69.586 68.765 0.821 18976 4787 1 6 . 1 1 82 82 THR H H 82 8.123 8.123 7.857 0.266 18976 4788 1 6 . 1 1 83 83 ASP N N 83 123.126 123.126 122.927 0.199 18976 4789 1 6 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.306 0.393 18976 4790 1 6 . 1 1 83 83 ASP C C 83 176.674 176.674 177.616 -0.942 18976 4791 1 6 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.886 -2.395 18976 4792 1 6 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.573 0.467 18976 4793 1 6 . 1 1 83 83 ASP H H 83 8.439 8.439 8.218 0.221 18976 4794 1 6 . 1 1 84 84 SER N N 84 116.982 116.982 114.802 2.180 18976 4795 1 6 . 1 1 84 84 SER HA H 84 4.458 4.458 4.059 0.399 18976 4796 1 6 . 1 1 84 84 SER C C 84 175.393 175.393 176.250 -0.857 18976 4797 1 6 . 1 1 84 84 SER CA C 84 58.943 58.943 61.487 -2.544 18976 4798 1 6 . 1 1 84 84 SER CB C 84 63.550 63.550 63.015 0.535 18976 4799 1 6 . 1 1 84 84 SER H H 84 8.418 8.418 7.875 0.543 18976 4800 1 6 . 1 1 85 85 GLU N N 85 122.632 122.632 120.172 2.460 18976 4801 1 6 . 1 1 85 85 GLU HA H 85 4.211 4.211 3.960 0.251 18976 4802 1 6 . 1 1 85 85 GLU C C 85 177.716 177.716 178.758 -1.042 18976 4803 1 6 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.028 -0.489 18976 4804 1 6 . 1 1 85 85 GLU CB C 85 29.227 29.227 29.170 0.057 18976 4805 1 6 . 1 1 85 85 GLU H H 85 8.504 8.504 7.779 0.725 18976 4806 1 6 . 1 1 86 86 GLU N N 86 119.077 119.077 120.576 -1.499 18976 4807 1 6 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.149 -0.088 18976 4808 1 6 . 1 1 86 86 GLU C C 86 178.885 178.885 178.661 0.224 18976 4809 1 6 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.632 0.733 18976 4810 1 6 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.426 -0.361 18976 4811 1 6 . 1 1 86 86 GLU H H 86 8.333 8.333 7.748 0.585 18976 4812 1 6 . 1 1 87 87 GLU N N 87 119.138 119.138 120.304 -1.166 18976 4813 1 6 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.044 0.102 18976 4814 1 6 . 1 1 87 87 GLU C C 87 179.823 179.823 179.046 0.777 18976 4815 1 6 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.204 -0.294 18976 4816 1 6 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.675 -0.409 18976 4817 1 6 . 1 1 87 87 GLU H H 87 8.130 8.130 7.822 0.308 18976 4818 1 6 . 1 1 88 88 LEU N N 88 122.103 122.103 120.097 2.006 18976 4819 1 6 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.144 0.247 18976 4820 1 6 . 1 1 88 88 LEU C C 88 178.905 178.905 178.671 0.234 18976 4821 1 6 . 1 1 88 88 LEU CA C 88 57.716 57.716 58.336 -0.620 18976 4822 1 6 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.988 -0.127 18976 4823 1 6 . 1 1 88 88 LEU H H 88 8.152 8.152 8.065 0.087 18976 4824 1 6 . 1 1 89 89 ARG N N 89 120.092 120.092 117.545 2.547 18976 4825 1 6 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.246 -0.196 18976 4826 1 6 . 1 1 89 89 ARG C C 89 179.507 179.507 178.942 0.565 18976 4827 1 6 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.706 -0.295 18976 4828 1 6 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.911 -0.451 18976 4829 1 6 . 1 1 89 89 ARG H H 89 8.499 8.499 7.599 0.900 18976 4830 1 6 . 1 1 90 90 GLU N N 90 119.315 119.315 119.552 -0.237 18976 4831 1 6 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.256 -0.089 18976 4832 1 6 . 1 1 90 90 GLU C C 90 178.068 178.068 177.671 0.397 18976 4833 1 6 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.316 0.274 18976 4834 1 6 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.573 -0.644 18976 4835 1 6 . 1 1 90 90 GLU H H 90 8.040 8.040 7.842 0.198 18976 4836 1 6 . 1 1 91 91 ALA N N 91 121.794 121.794 123.429 -1.635 18976 4837 1 6 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.071 0.140 18976 4838 1 6 . 1 1 91 91 ALA C C 91 179.855 179.855 178.944 0.911 18976 4839 1 6 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.277 -0.551 18976 4840 1 6 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.352 -0.782 18976 4841 1 6 . 1 1 91 91 ALA H H 91 7.996 7.996 7.925 0.071 18976 4842 1 6 . 1 1 92 92 PHE N N 92 119.368 119.368 119.278 0.090 18976 4843 1 6 . 1 1 92 92 PHE HA H 92 3.130 3.130 4.022 -0.892 18976 4844 1 6 . 1 1 92 92 PHE C C 92 176.454 176.454 176.879 -0.425 18976 4845 1 6 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.388 0.844 18976 4846 1 6 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.536 0.391 18976 4847 1 6 . 1 1 92 92 PHE H H 92 8.360 8.360 7.974 0.386 18976 4848 1 6 . 1 1 93 93 ARG N N 93 117.178 117.178 119.740 -2.562 18976 4849 1 6 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.784 0.081 18976 4850 1 6 . 1 1 93 93 ARG C C 93 178.421 178.421 177.870 0.551 18976 4851 1 6 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.232 -0.391 18976 4852 1 6 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.233 -0.327 18976 4853 1 6 . 1 1 93 93 ARG H H 93 7.895 7.895 7.494 0.401 18976 4854 1 6 . 1 1 94 94 VAL N N 94 115.719 115.719 117.934 -2.215 18976 4855 1 6 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.758 -0.158 18976 4856 1 6 . 1 1 94 94 VAL C C 94 177.334 177.334 178.038 -0.704 18976 4857 1 6 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.061 -0.029 18976 4858 1 6 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.586 -0.042 18976 4859 1 6 . 1 1 94 94 VAL H H 94 7.541 7.541 7.658 -0.117 18976 4860 1 6 . 1 1 95 95 GLU N N 95 117.921 117.921 119.193 -1.272 18976 4861 1 6 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.057 -0.049 18976 4862 1 6 . 1 1 95 95 GLU C C 95 176.953 176.953 177.509 -0.556 18976 4863 1 6 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.993 -0.737 18976 4864 1 6 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.913 -1.226 18976 4865 1 6 . 1 1 95 95 GLU H H 95 7.011 7.011 7.924 -0.913 18976 4866 1 6 . 1 1 96 96 ASP N N 96 117.365 117.365 118.864 -1.499 18976 4867 1 6 . 1 1 96 96 ASP HA H 96 4.450 4.450 5.075 -0.625 18976 4868 1 6 . 1 1 96 96 ASP C C 96 177.202 177.202 175.905 1.297 18976 4869 1 6 . 1 1 96 96 ASP CA C 96 51.473 51.473 51.971 -0.498 18976 4870 1 6 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.312 -1.238 18976 4871 1 6 . 1 1 96 96 ASP H H 96 7.626 7.626 7.626 -0.000 18976 4872 1 6 . 1 1 97 97 LYS N N 97 124.733 124.733 120.085 4.648 18976 4873 1 6 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.000 -0.099 18976 4874 1 6 . 1 1 97 97 LYS C C 97 178.333 178.333 177.731 0.602 18976 4875 1 6 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.998 0.607 18976 4876 1 6 . 1 1 97 97 LYS CB C 97 32.430 32.430 31.879 0.551 18976 4877 1 6 . 1 1 97 97 LYS H H 97 7.357 7.357 7.392 -0.035 18976 4878 1 6 . 1 1 98 98 ASP N N 98 114.048 114.048 116.114 -2.066 18976 4879 1 6 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.391 0.177 18976 4880 1 6 . 1 1 98 98 ASP C C 98 177.775 177.775 177.320 0.455 18976 4881 1 6 . 1 1 98 98 ASP CA C 98 52.657 52.657 53.962 -1.305 18976 4882 1 6 . 1 1 98 98 ASP CB C 98 39.593 39.593 39.636 -0.043 18976 4883 1 6 . 1 1 98 98 ASP H H 98 8.352 8.352 8.102 0.250 18976 4884 1 6 . 1 1 99 99 GLY N N 99 109.454 109.454 109.289 0.165 18976 4885 1 6 . 1 1 99 99 GLY C C 99 175.082 175.082 175.188 -0.106 18976 4886 1 6 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.857 0.970 18976 4887 1 6 . 1 1 99 99 GLY H H 99 7.828 7.828 7.813 0.015 18976 4888 1 6 . 1 1 100 100 ASN N N 100 119.607 119.607 118.057 1.550 18976 4889 1 6 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.603 0.032 18976 4890 1 6 . 1 1 100 100 ASN C C 100 175.969 175.969 176.605 -0.636 18976 4891 1 6 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.984 -0.501 18976 4892 1 6 . 1 1 100 100 ASN CB C 100 37.881 37.881 38.690 -0.809 18976 4893 1 6 . 1 1 100 100 ASN H H 100 8.334 8.334 8.070 0.264 18976 4894 1 6 . 1 1 101 101 GLY N N 101 113.007 113.007 106.923 6.084 18976 4895 1 6 . 1 1 101 101 GLY C C 101 172.314 172.314 173.102 -0.788 18976 4896 1 6 . 1 1 101 101 GLY CA C 101 44.682 44.682 44.802 -0.120 18976 4897 1 6 . 1 1 101 101 GLY H H 101 10.640 10.640 8.469 2.171 18976 4898 1 6 . 1 1 102 102 TYR N N 102 115.913 115.913 115.286 0.627 18976 4899 1 6 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.972 -0.786 18976 4900 1 6 . 1 1 102 102 TYR C C 102 174.736 174.736 173.831 0.905 18976 4901 1 6 . 1 1 102 102 TYR CA C 102 55.662 55.662 54.865 0.797 18976 4902 1 6 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.196 1.605 18976 4903 1 6 . 1 1 102 102 TYR H H 102 7.610 7.610 7.665 -0.055 18976 4904 1 6 . 1 1 103 103 ILE N N 103 127.698 127.698 122.675 5.023 18976 4905 1 6 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.691 0.125 18976 4906 1 6 . 1 1 103 103 ILE C C 103 175.634 175.634 176.219 -0.585 18976 4907 1 6 . 1 1 103 103 ILE CA C 103 60.438 60.438 58.865 1.573 18976 4908 1 6 . 1 1 103 103 ILE CB C 103 38.919 38.919 38.805 0.114 18976 4909 1 6 . 1 1 103 103 ILE H H 103 10.228 10.228 8.052 2.176 18976 4910 1 6 . 1 1 104 104 SER N N 104 123.581 123.581 121.813 1.768 18976 4911 1 6 . 1 1 104 104 SER HA H 104 4.849 4.849 5.048 -0.199 18976 4912 1 6 . 1 1 104 104 SER C C 104 175.191 175.191 175.624 -0.433 18976 4913 1 6 . 1 1 104 104 SER CA C 104 55.499 55.499 56.325 -0.826 18976 4914 1 6 . 1 1 104 104 SER CB C 104 66.371 66.371 66.156 0.214 18976 4915 1 6 . 1 1 104 104 SER H H 104 8.947 8.947 8.464 0.483 18976 4916 1 6 . 1 1 105 105 ALA N N 105 122.829 122.829 123.871 -1.042 18976 4917 1 6 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.029 -0.100 18976 4918 1 6 . 1 1 105 105 ALA C C 105 179.272 179.272 178.713 0.559 18976 4919 1 6 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.526 0.134 18976 4920 1 6 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.326 -0.643 18976 4921 1 6 . 1 1 105 105 ALA H H 105 9.251 9.251 9.088 0.163 18976 4922 1 6 . 1 1 106 106 ALA N N 106 118.442 118.442 120.063 -1.621 18976 4923 1 6 . 1 1 106 106 ALA HA H 106 4.037 4.037 4.049 -0.012 18976 4924 1 6 . 1 1 106 106 ALA C C 106 181.180 181.180 179.697 1.483 18976 4925 1 6 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.554 0.287 18976 4926 1 6 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.258 -0.214 18976 4927 1 6 . 1 1 106 106 ALA H H 106 8.209 8.209 8.120 0.089 18976 4928 1 6 . 1 1 107 107 GLU N N 107 118.406 118.406 119.498 -1.092 18976 4929 1 6 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.965 0.027 18976 4930 1 6 . 1 1 107 107 GLU C C 107 179.272 179.272 179.129 0.143 18976 4931 1 6 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.321 -0.180 18976 4932 1 6 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.583 -0.827 18976 4933 1 6 . 1 1 107 107 GLU H H 107 7.752 7.752 7.584 0.168 18976 4934 1 6 . 1 1 108 108 LEU N N 108 122.413 122.413 119.689 2.724 18976 4935 1 6 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.000 0.072 18976 4936 1 6 . 1 1 108 108 LEU C C 108 178.553 178.553 179.054 -0.501 18976 4937 1 6 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.948 -0.656 18976 4938 1 6 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.563 -0.120 18976 4939 1 6 . 1 1 108 108 LEU H H 108 8.793 8.793 8.165 0.628 18976 4940 1 6 . 1 1 109 109 ARG N N 109 118.074 118.074 118.626 -0.552 18976 4941 1 6 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.047 -0.190 18976 4942 1 6 . 1 1 109 109 ARG C C 109 179.140 179.140 179.153 -0.013 18976 4943 1 6 . 1 1 109 109 ARG CA C 109 59.786 59.786 58.932 0.854 18976 4944 1 6 . 1 1 109 109 ARG CB C 109 29.824 29.824 29.903 -0.079 18976 4945 1 6 . 1 1 109 109 ARG H H 109 8.421 8.421 7.848 0.573 18976 4946 1 6 . 1 1 110 110 ILE N N 110 120.191 120.191 115.885 4.306 18976 4947 1 6 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.188 -0.401 18976 4948 1 6 . 1 1 110 110 ILE C C 110 177.804 177.804 178.313 -0.509 18976 4949 1 6 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.584 0.969 18976 4950 1 6 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.724 0.334 18976 4951 1 6 . 1 1 110 110 ILE H H 110 7.401 7.401 7.484 -0.083 18976 4952 1 6 . 1 1 111 111 VAL N N 111 120.330 120.330 120.631 -0.301 18976 4953 1 6 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.721 0.042 18976 4954 1 6 . 1 1 111 111 VAL C C 111 178.802 178.802 177.264 1.538 18976 4955 1 6 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.699 -0.009 18976 4956 1 6 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.118 -0.526 18976 4957 1 6 . 1 1 111 111 VAL H H 111 7.907 7.907 7.655 0.252 18976 4958 1 6 . 1 1 112 112 MET N N 112 116.794 116.794 117.646 -0.852 18976 4959 1 6 . 1 1 112 112 MET HA H 112 4.396 4.396 4.366 0.030 18976 4960 1 6 . 1 1 112 112 MET C C 112 178.890 178.890 177.428 1.462 18976 4961 1 6 . 1 1 112 112 MET CA C 112 56.719 56.719 56.718 0.002 18976 4962 1 6 . 1 1 112 112 MET CB C 112 30.384 30.384 31.443 -1.059 18976 4963 1 6 . 1 1 112 112 MET H H 112 8.355 8.355 8.261 0.094 18976 4964 1 6 . 1 1 113 113 THR N N 113 117.282 117.282 108.881 8.401 18976 4965 1 6 . 1 1 113 113 THR HA H 113 4.187 4.187 4.171 0.016 18976 4966 1 6 . 1 1 113 113 THR C C 113 178.112 178.112 176.614 1.498 18976 4967 1 6 . 1 1 113 113 THR CA C 113 65.902 65.902 64.642 1.260 18976 4968 1 6 . 1 1 113 113 THR CB C 113 68.642 68.642 68.883 -0.242 18976 4969 1 6 . 1 1 113 113 THR H H 113 8.314 8.314 7.570 0.744 18976 4970 1 6 . 1 1 114 114 ASN N N 114 122.220 122.220 119.368 2.852 18976 4971 1 6 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.549 0.043 18976 4972 1 6 . 1 1 114 114 ASN C C 114 176.644 176.644 176.723 -0.079 18976 4973 1 6 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.173 -0.020 18976 4974 1 6 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.890 -1.294 18976 4975 1 6 . 1 1 114 114 ASN H H 114 8.483 8.483 7.712 0.771 18976 4976 1 6 . 1 1 115 115 ARG N N 115 117.970 117.970 118.593 -0.623 18976 4977 1 6 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.451 -0.022 18976 4978 1 6 . 1 1 115 115 ARG C C 115 176.366 176.366 177.044 -0.678 18976 4979 1 6 . 1 1 115 115 ARG CA C 115 56.399 56.399 55.684 0.716 18976 4980 1 6 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.266 0.234 18976 4981 1 6 . 1 1 115 115 ARG H H 115 7.776 7.776 8.180 -0.404 18976 4982 1 6 . 1 1 116 116 GLY N N 116 107.547 107.547 107.518 0.029 18976 4983 1 6 . 1 1 116 116 GLY C C 116 174.384 174.384 174.812 -0.428 18976 4984 1 6 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.509 -0.302 18976 4985 1 6 . 1 1 116 116 GLY H H 116 7.968 7.968 7.928 0.040 18976 4986 1 6 . 1 1 117 117 GLU N N 117 119.975 119.975 121.461 -1.486 18976 4987 1 6 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.368 0.038 18976 4988 1 6 . 1 1 117 117 GLU C C 117 175.558 175.558 175.659 -0.101 18976 4989 1 6 . 1 1 117 117 GLU CA C 117 55.177 55.177 55.231 -0.054 18976 4990 1 6 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.073 2.328 18976 4991 1 6 . 1 1 117 117 GLU H H 117 7.934 7.934 8.389 -0.455 18976 4992 1 6 . 1 1 118 118 LYS N N 118 124.035 124.035 121.884 2.151 18976 4993 1 6 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.104 0.300 18976 4994 1 6 . 1 1 118 118 LYS C C 118 175.441 175.441 176.077 -0.636 18976 4995 1 6 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.975 -1.708 18976 4996 1 6 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.682 -0.832 18976 4997 1 6 . 1 1 118 118 LYS H H 118 8.626 8.626 7.663 0.963 18976 4998 1 6 . 1 1 119 119 LEU N N 119 124.745 124.745 126.212 -1.467 18976 4999 1 6 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.644 0.126 18976 5000 1 6 . 1 1 119 119 LEU C C 119 178.127 178.127 177.435 0.692 18976 5001 1 6 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.899 0.940 18976 5002 1 6 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.379 -0.056 18976 5003 1 6 . 1 1 119 119 LEU H H 119 8.140 8.140 8.208 -0.068 18976 5004 1 6 . 1 1 120 120 THR N N 120 114.555 114.555 114.278 0.277 18976 5005 1 6 . 1 1 120 120 THR HA H 120 4.477 4.477 4.197 0.280 18976 5006 1 6 . 1 1 120 120 THR C C 120 175.514 175.514 175.149 0.365 18976 5007 1 6 . 1 1 120 120 THR CA C 120 60.613 60.613 61.818 -1.205 18976 5008 1 6 . 1 1 120 120 THR CB C 120 70.902 70.902 69.646 1.256 18976 5009 1 6 . 1 1 120 120 THR H H 120 9.220 9.220 8.577 0.643 18976 5010 1 6 . 1 1 121 121 ASP N N 121 121.128 121.128 120.773 0.355 18976 5011 1 6 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.223 0.005 18976 5012 1 6 . 1 1 121 121 ASP C C 121 178.655 178.655 178.014 0.641 18976 5013 1 6 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.227 0.524 18976 5014 1 6 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.441 -1.125 18976 5015 1 6 . 1 1 121 121 ASP H H 121 8.921 8.921 8.737 0.184 18976 5016 1 6 . 1 1 122 122 GLU N N 122 119.266 119.266 117.436 1.830 18976 5017 1 6 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.048 0.071 18976 5018 1 6 . 1 1 122 122 GLU C C 122 179.184 179.184 178.541 0.643 18976 5019 1 6 . 1 1 122 122 GLU CA C 122 59.772 59.772 58.688 1.084 18976 5020 1 6 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.106 -0.240 18976 5021 1 6 . 1 1 122 122 GLU H H 122 8.712 8.712 8.587 0.125 18976 5022 1 6 . 1 1 123 123 GLU N N 123 120.455 120.455 119.965 0.490 18976 5023 1 6 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.111 -0.088 18976 5024 1 6 . 1 1 123 123 GLU C C 123 180.123 180.123 179.204 0.919 18976 5025 1 6 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.750 0.340 18976 5026 1 6 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.817 0.397 18976 5027 1 6 . 1 1 123 123 GLU H H 123 7.763 7.763 7.584 0.179 18976 5028 1 6 . 1 1 124 124 VAL N N 124 121.726 121.726 116.354 5.372 18976 5029 1 6 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.747 -0.140 18976 5030 1 6 . 1 1 124 124 VAL C C 124 177.337 177.337 177.271 0.066 18976 5031 1 6 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.571 0.161 18976 5032 1 6 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.315 -0.273 18976 5033 1 6 . 1 1 124 124 VAL H H 124 8.119 8.119 8.196 -0.077 18976 5034 1 6 . 1 1 125 125 ASP N N 125 119.880 119.880 119.002 0.878 18976 5035 1 6 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.417 -0.066 18976 5036 1 6 . 1 1 125 125 ASP C C 125 179.323 179.323 177.980 1.343 18976 5037 1 6 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.481 -0.106 18976 5038 1 6 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.777 -0.665 18976 5039 1 6 . 1 1 125 125 ASP H H 125 8.051 8.051 7.702 0.349 18976 5040 1 6 . 1 1 126 126 GLU N N 126 119.798 119.798 119.448 0.350 18976 5041 1 6 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.080 -0.059 18976 5042 1 6 . 1 1 126 126 GLU C C 126 177.966 177.966 178.844 -0.878 18976 5043 1 6 . 1 1 126 126 GLU CA C 126 58.973 58.973 58.898 0.075 18976 5044 1 6 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.336 -0.252 18976 5045 1 6 . 1 1 126 126 GLU H H 126 8.047 8.047 7.793 0.254 18976 5046 1 6 . 1 1 127 127 MET N N 127 119.443 119.443 118.407 1.036 18976 5047 1 6 . 1 1 127 127 MET HA H 127 4.137 4.137 4.244 -0.107 18976 5048 1 6 . 1 1 127 127 MET C C 127 179.859 179.859 178.984 0.875 18976 5049 1 6 . 1 1 127 127 MET CA C 127 59.137 59.137 57.565 1.572 18976 5050 1 6 . 1 1 127 127 MET CB C 127 32.239 32.239 31.941 0.298 18976 5051 1 6 . 1 1 127 127 MET H H 127 7.795 7.795 8.014 -0.219 18976 5052 1 6 . 1 1 128 128 ILE N N 128 120.667 120.667 119.368 1.299 18976 5053 1 6 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.772 -0.251 18976 5054 1 6 . 1 1 128 128 ILE C C 128 177.657 177.657 178.682 -1.025 18976 5055 1 6 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.815 -1.003 18976 5056 1 6 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.498 -1.512 18976 5057 1 6 . 1 1 128 128 ILE H H 128 8.158 8.158 7.630 0.528 18976 5058 1 6 . 1 1 129 129 ARG N N 129 119.725 119.725 119.454 0.271 18976 5059 1 6 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.024 0.045 18976 5060 1 6 . 1 1 129 129 ARG C C 129 178.920 178.920 177.504 1.416 18976 5061 1 6 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.930 0.685 18976 5062 1 6 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.102 -0.220 18976 5063 1 6 . 1 1 129 129 ARG H H 129 8.270 8.270 7.459 0.811 18976 5064 1 6 . 1 1 130 130 GLU N N 130 115.236 115.236 115.253 -0.017 18976 5065 1 6 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.325 -0.231 18976 5066 1 6 . 1 1 130 130 GLU C C 130 177.349 177.349 177.763 -0.414 18976 5067 1 6 . 1 1 130 130 GLU CA C 130 57.900 57.900 57.421 0.479 18976 5068 1 6 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.831 -0.008 18976 5069 1 6 . 1 1 130 130 GLU H H 130 7.953 7.953 7.795 0.158 18976 5070 1 6 . 1 1 131 131 THR N N 131 112.585 112.585 109.054 3.531 18976 5071 1 6 . 1 1 131 131 THR HA H 131 4.239 4.239 4.168 0.071 18976 5072 1 6 . 1 1 131 131 THR C C 131 174.149 174.149 173.984 0.165 18976 5073 1 6 . 1 1 131 131 THR CA C 131 62.887 62.887 63.675 -0.788 18976 5074 1 6 . 1 1 131 131 THR CB C 131 69.337 69.337 69.987 -0.650 18976 5075 1 6 . 1 1 131 131 THR H H 131 7.465 7.465 7.698 -0.233 18976 5076 1 6 . 1 1 132 132 ASP N N 132 121.237 121.237 119.478 1.759 18976 5077 1 6 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.856 -0.378 18976 5078 1 6 . 1 1 132 132 ASP C C 132 175.777 175.777 175.989 -0.212 18976 5079 1 6 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.609 1.345 18976 5080 1 6 . 1 1 132 132 ASP CB C 132 40.440 40.440 43.489 -3.049 18976 5081 1 6 . 1 1 132 132 ASP H H 132 8.070 8.070 7.691 0.379 18976 5082 1 6 . 1 1 133 133 ILE N N 133 127.244 127.244 123.157 4.087 18976 5083 1 6 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.056 -0.080 18976 5084 1 6 . 1 1 133 133 ILE C C 133 177.628 177.628 176.434 1.194 18976 5085 1 6 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.151 0.715 18976 5086 1 6 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.637 -0.159 18976 5087 1 6 . 1 1 133 133 ILE H H 133 8.345 8.345 8.456 -0.111 18976 5088 1 6 . 1 1 134 134 ASP N N 134 116.893 116.893 118.969 -2.076 18976 5089 1 6 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.535 -0.002 18976 5090 1 6 . 1 1 134 134 ASP C C 134 178.259 178.259 177.158 1.101 18976 5091 1 6 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.442 -0.899 18976 5092 1 6 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.728 -0.890 18976 5093 1 6 . 1 1 134 134 ASP H H 134 8.297 8.297 8.205 0.092 18976 5094 1 6 . 1 1 135 135 GLY N N 135 108.287 108.287 107.913 0.374 18976 5095 1 6 . 1 1 135 135 GLY C C 135 175.250 175.250 175.445 -0.195 18976 5096 1 6 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.091 1.006 18976 5097 1 6 . 1 1 135 135 GLY H H 135 7.623 7.623 8.295 -0.672 18976 5098 1 6 . 1 1 136 136 ASP N N 136 120.541 120.541 120.592 -0.051 18976 5099 1 6 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.524 -0.044 18976 5100 1 6 . 1 1 136 136 ASP C C 136 177.584 177.584 177.899 -0.315 18976 5101 1 6 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.505 -0.130 18976 5102 1 6 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.928 -1.035 18976 5103 1 6 . 1 1 136 136 ASP H H 136 8.290 8.290 8.130 0.160 18976 5104 1 6 . 1 1 137 137 GLY N N 137 112.490 112.490 109.290 3.200 18976 5105 1 6 . 1 1 137 137 GLY C C 137 172.828 172.828 173.204 -0.376 18976 5106 1 6 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.450 0.020 18976 5107 1 6 . 1 1 137 137 GLY H H 137 10.224 10.224 8.027 2.197 18976 5108 1 6 . 1 1 138 138 GLN N N 138 115.266 115.266 117.460 -2.194 18976 5109 1 6 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.467 -0.598 18976 5110 1 6 . 1 1 138 138 GLN C C 138 174.677 174.677 174.679 -0.002 18976 5111 1 6 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.365 -1.579 18976 5112 1 6 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.455 -1.712 18976 5113 1 6 . 1 1 138 138 GLN H H 138 7.992 7.992 8.248 -0.256 18976 5114 1 6 . 1 1 139 139 VAL N N 139 125.667 125.667 123.792 1.875 18976 5115 1 6 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.705 0.407 18976 5116 1 6 . 1 1 139 139 VAL C C 139 175.763 175.763 175.610 0.153 18976 5117 1 6 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.187 1.492 18976 5118 1 6 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.674 0.858 18976 5119 1 6 . 1 1 139 139 VAL H H 139 9.227 9.227 8.341 0.886 18976 5120 1 6 . 1 1 140 140 ASN N N 140 128.431 128.431 125.306 3.125 18976 5121 1 6 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.060 0.214 18976 5122 1 6 . 1 1 140 140 ASN C C 140 175.079 175.079 176.405 -1.326 18976 5123 1 6 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.948 -1.282 18976 5124 1 6 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.210 -2.983 18976 5125 1 6 . 1 1 140 140 ASN H H 140 9.360 9.360 8.860 0.500 18976 5126 1 6 . 1 1 141 141 TYR N N 141 119.146 119.146 121.730 -2.584 18976 5127 1 6 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.730 -0.344 18976 5128 1 6 . 1 1 141 141 TYR C C 141 176.092 176.092 177.256 -1.164 18976 5129 1 6 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.533 0.525 18976 5130 1 6 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.651 -1.292 18976 5131 1 6 . 1 1 141 141 TYR H H 141 8.451 8.451 9.091 -0.640 18976 5132 1 6 . 1 1 142 142 GLU N N 142 118.431 118.431 119.946 -1.515 18976 5133 1 6 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.854 -0.172 18976 5134 1 6 . 1 1 142 142 GLU C C 142 180.226 180.226 178.583 1.643 18976 5135 1 6 . 1 1 142 142 GLU CA C 142 60.083 60.083 60.040 0.043 18976 5136 1 6 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.123 -0.577 18976 5137 1 6 . 1 1 142 142 GLU H H 142 8.097 8.097 8.335 -0.238 18976 5138 1 6 . 1 1 143 143 GLU N N 143 120.068 120.068 119.580 0.488 18976 5139 1 6 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.088 -0.098 18976 5140 1 6 . 1 1 143 143 GLU C C 143 179.060 179.060 179.148 -0.088 18976 5141 1 6 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.943 -0.369 18976 5142 1 6 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.389 -0.207 18976 5143 1 6 . 1 1 143 143 GLU H H 143 8.667 8.667 8.296 0.371 18976 5144 1 6 . 1 1 144 144 PHE N N 144 123.392 123.392 120.784 2.608 18976 5145 1 6 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.132 -0.165 18976 5146 1 6 . 1 1 144 144 PHE C C 144 176.982 176.982 176.944 0.038 18976 5147 1 6 . 1 1 144 144 PHE CA C 144 61.446 61.446 60.691 0.754 18976 5148 1 6 . 1 1 144 144 PHE CB C 144 39.695 39.695 38.959 0.737 18976 5149 1 6 . 1 1 144 144 PHE H H 144 8.731 8.731 8.255 0.476 18976 5150 1 6 . 1 1 145 145 VAL N N 145 119.201 119.201 117.505 1.696 18976 5151 1 6 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.180 0.013 18976 5152 1 6 . 1 1 145 145 VAL C C 145 179.228 179.228 177.476 1.752 18976 5153 1 6 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.417 1.245 18976 5154 1 6 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.188 0.096 18976 5155 1 6 . 1 1 145 145 VAL H H 145 8.671 8.671 7.751 0.920 18976 5156 1 6 . 1 1 146 146 GLN N N 146 119.252 119.252 118.165 1.087 18976 5157 1 6 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.975 -0.059 18976 5158 1 6 . 1 1 146 146 GLN C C 146 177.825 177.825 176.899 0.926 18976 5159 1 6 . 1 1 146 146 GLN CA C 146 58.567 58.567 57.804 0.763 18976 5160 1 6 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.440 -0.620 18976 5161 1 6 . 1 1 146 146 GLN H H 146 7.767 7.767 7.527 0.240 18976 5162 1 6 . 1 1 147 147 ARG N N 147 118.529 118.529 118.214 0.315 18976 5163 1 6 . 1 1 147 147 ARG HA H 147 4.172 4.172 3.971 0.201 18976 5164 1 6 . 1 1 147 147 ARG C C 147 178.112 178.112 178.626 -0.514 18976 5165 1 6 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.731 -1.222 18976 5166 1 6 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.977 0.137 18976 5167 1 6 . 1 1 147 147 ARG H H 147 7.628 7.628 7.217 0.411 18976 5168 1 6 . 1 1 148 148 MET N N 148 115.755 115.755 115.612 0.143 18976 5169 1 6 . 1 1 148 148 MET HA H 148 4.304 4.304 4.209 0.095 18976 5170 1 6 . 1 1 148 148 MET C C 148 177.628 177.628 176.469 1.159 18976 5171 1 6 . 1 1 148 148 MET CA C 148 55.489 55.489 57.288 -1.800 18976 5172 1 6 . 1 1 148 148 MET CB C 148 31.773 31.773 32.799 -1.026 18976 5173 1 6 . 1 1 148 148 MET H H 148 8.003 8.003 7.223 0.780 18976 5174 1 6 . 1 1 149 149 THR N N 149 110.062 110.062 113.248 -3.186 18976 5175 1 6 . 1 1 149 149 THR HA H 149 4.349 4.349 4.363 -0.014 18976 5176 1 6 . 1 1 149 149 THR C C 149 174.149 174.149 173.507 0.642 18976 5177 1 6 . 1 1 149 149 THR CA C 149 61.775 61.775 62.151 -0.376 18976 5178 1 6 . 1 1 149 149 THR CB C 149 69.780 69.780 68.714 1.066 18976 5179 1 6 . 1 1 149 149 THR H H 149 7.682 7.682 7.315 0.367 18976 5180 1 6 . 1 1 150 150 ALA N N 150 126.503 126.503 125.540 0.963 18976 5181 1 6 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.261 0.069 18976 5182 1 6 . 1 1 150 150 ALA CA C 150 52.535 52.535 51.756 0.779 18976 5183 1 6 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.575 0.159 18976 5184 1 6 . 1 1 150 150 ALA H H 150 7.651 7.651 7.176 0.475 18976 5185 1 7 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.361 0.060 18976 5186 1 7 . 1 1 2 2 LEU C C 2 177.129 177.129 175.972 1.157 18976 5187 1 7 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.817 -0.695 18976 5188 1 7 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.213 1.240 18976 5189 1 7 . 1 1 2 2 LEU H H 2 8.641 8.641 8.815 -0.174 18976 5190 1 7 . 1 1 3 3 MET N N 3 120.143 120.143 120.374 -0.231 18976 5191 1 7 . 1 1 3 3 MET HA H 3 4.451 4.451 4.705 -0.254 18976 5192 1 7 . 1 1 3 3 MET C C 3 176.835 176.835 176.190 0.645 18976 5193 1 7 . 1 1 3 3 MET CA C 3 55.160 55.160 55.217 -0.057 18976 5194 1 7 . 1 1 3 3 MET CB C 3 32.584 32.584 33.666 -1.082 18976 5195 1 7 . 1 1 3 3 MET H H 3 8.396 8.396 8.248 0.148 18976 5196 1 7 . 1 1 4 4 ALA N N 4 123.344 123.344 122.265 1.079 18976 5197 1 7 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.040 0.020 18976 5198 1 7 . 1 1 4 4 ALA C C 4 177.922 177.922 178.470 -0.548 18976 5199 1 7 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.953 -0.403 18976 5200 1 7 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.548 0.008 18976 5201 1 7 . 1 1 4 4 ALA H H 4 8.396 8.396 8.269 0.127 18976 5202 1 7 . 1 1 5 5 ASP N N 5 116.052 116.052 116.078 -0.026 18976 5203 1 7 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.572 -0.063 18976 5204 1 7 . 1 1 5 5 ASP C C 5 176.366 176.366 177.030 -0.664 18976 5205 1 7 . 1 1 5 5 ASP CA C 5 54.623 54.623 54.737 -0.114 18976 5206 1 7 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.950 -0.687 18976 5207 1 7 . 1 1 5 5 ASP H H 5 8.114 8.114 8.195 -0.081 18976 5208 1 7 . 1 1 6 6 GLN N N 6 117.717 117.717 118.822 -1.105 18976 5209 1 7 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.373 0.004 18976 5210 1 7 . 1 1 6 6 GLN C C 6 175.842 175.842 175.638 0.204 18976 5211 1 7 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.040 0.271 18976 5212 1 7 . 1 1 6 6 GLN CB C 6 29.590 29.590 28.005 1.585 18976 5213 1 7 . 1 1 6 6 GLN H H 6 7.935 7.935 8.399 -0.464 18976 5214 1 7 . 1 1 7 7 LEU N N 7 121.086 121.086 120.109 0.977 18976 5215 1 7 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.293 0.383 18976 5216 1 7 . 1 1 7 7 LEU C C 7 177.496 177.496 177.456 0.040 18976 5217 1 7 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.473 -0.408 18976 5218 1 7 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.487 0.781 18976 5219 1 7 . 1 1 7 7 LEU H H 7 7.713 7.713 7.264 0.449 18976 5220 1 7 . 1 1 8 8 THR N N 8 112.688 112.688 109.164 3.524 18976 5221 1 7 . 1 1 8 8 THR HA H 8 4.475 4.475 4.540 -0.065 18976 5222 1 7 . 1 1 8 8 THR C C 8 175.511 175.511 175.540 -0.029 18976 5223 1 7 . 1 1 8 8 THR CA C 8 60.256 60.256 60.300 -0.044 18976 5224 1 7 . 1 1 8 8 THR CB C 8 71.019 71.019 70.814 0.205 18976 5225 1 7 . 1 1 8 8 THR H H 8 8.800 8.800 7.919 0.881 18976 5226 1 7 . 1 1 9 9 GLU N N 9 120.380 120.380 121.672 -1.292 18976 5227 1 7 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.018 -0.038 18976 5228 1 7 . 1 1 9 9 GLU C C 9 179.492 179.492 178.429 1.063 18976 5229 1 7 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.603 0.323 18976 5230 1 7 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.261 -0.336 18976 5231 1 7 . 1 1 9 9 GLU H H 9 9.040 9.040 9.058 -0.018 18976 5232 1 7 . 1 1 10 10 GLU N N 10 119.361 119.361 118.881 0.480 18976 5233 1 7 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.037 0.037 18976 5234 1 7 . 1 1 10 10 GLU C C 10 179.185 179.185 178.743 0.442 18976 5235 1 7 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.401 0.366 18976 5236 1 7 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.764 0.032 18976 5237 1 7 . 1 1 10 10 GLU H H 10 8.729 8.729 8.648 0.081 18976 5238 1 7 . 1 1 11 11 GLN N N 11 120.302 120.302 119.390 0.912 18976 5239 1 7 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.133 -0.265 18976 5240 1 7 . 1 1 11 11 GLN C C 11 178.318 178.318 178.489 -0.171 18976 5241 1 7 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.222 0.162 18976 5242 1 7 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.598 0.287 18976 5243 1 7 . 1 1 11 11 GLN H H 11 7.747 7.747 7.421 0.326 18976 5244 1 7 . 1 1 12 12 ILE N N 12 119.533 119.533 120.101 -0.568 18976 5245 1 7 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.848 -0.130 18976 5246 1 7 . 1 1 12 12 ILE C C 12 177.731 177.731 177.645 0.086 18976 5247 1 7 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.587 1.372 18976 5248 1 7 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.702 -0.191 18976 5249 1 7 . 1 1 12 12 ILE H H 12 8.456 8.456 8.011 0.445 18976 5250 1 7 . 1 1 13 13 ALA N N 13 121.161 121.161 122.485 -1.324 18976 5251 1 7 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.880 0.259 18976 5252 1 7 . 1 1 13 13 ALA C C 13 181.019 181.019 179.625 1.394 18976 5253 1 7 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.678 -0.555 18976 5254 1 7 . 1 1 13 13 ALA CB C 13 17.504 17.504 17.872 -0.368 18976 5255 1 7 . 1 1 13 13 ALA H H 13 8.018 8.018 7.980 0.038 18976 5256 1 7 . 1 1 14 14 GLU N N 14 119.619 119.619 118.440 1.179 18976 5257 1 7 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.098 0.066 18976 5258 1 7 . 1 1 14 14 GLU C C 14 180.534 180.534 179.542 0.992 18976 5259 1 7 . 1 1 14 14 GLU CA C 14 59.124 59.124 59.066 0.058 18976 5260 1 7 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.422 -0.569 18976 5261 1 7 . 1 1 14 14 GLU H H 14 7.792 7.792 7.799 -0.007 18976 5262 1 7 . 1 1 15 15 PHE N N 15 120.089 120.089 117.894 2.195 18976 5263 1 7 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.554 0.510 18976 5264 1 7 . 1 1 15 15 PHE C C 15 178.700 178.700 177.572 1.128 18976 5265 1 7 . 1 1 15 15 PHE CA C 15 58.857 58.857 59.174 -0.317 18976 5266 1 7 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.786 -1.310 18976 5267 1 7 . 1 1 15 15 PHE H H 15 8.587 8.587 8.220 0.367 18976 5268 1 7 . 1 1 16 16 LYS N N 16 123.715 123.715 120.033 3.682 18976 5269 1 7 . 1 1 16 16 LYS HA H 16 4.045 4.045 3.533 0.512 18976 5270 1 7 . 1 1 16 16 LYS C C 16 179.327 179.327 178.267 1.060 18976 5271 1 7 . 1 1 16 16 LYS CA C 16 59.870 59.870 58.917 0.953 18976 5272 1 7 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.520 0.052 18976 5273 1 7 . 1 1 16 16 LYS H H 16 9.256 9.256 8.325 0.931 18976 5274 1 7 . 1 1 17 17 GLU N N 17 120.262 120.262 119.504 0.758 18976 5275 1 7 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.152 0.004 18976 5276 1 7 . 1 1 17 17 GLU C C 17 179.456 179.456 178.532 0.924 18976 5277 1 7 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.486 0.521 18976 5278 1 7 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.093 -0.284 18976 5279 1 7 . 1 1 17 17 GLU H H 17 7.774 7.774 7.906 -0.132 18976 5280 1 7 . 1 1 18 18 ALA N N 18 122.590 122.590 122.121 0.469 18976 5281 1 7 . 1 1 18 18 ALA HA H 18 4.315 4.315 3.814 0.501 18976 5282 1 7 . 1 1 18 18 ALA C C 18 179.060 179.060 178.613 0.447 18976 5283 1 7 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.301 0.528 18976 5284 1 7 . 1 1 18 18 ALA CB C 18 17.798 17.798 17.801 -0.003 18976 5285 1 7 . 1 1 18 18 ALA H H 18 8.001 8.001 7.797 0.204 18976 5286 1 7 . 1 1 19 19 PHE N N 19 119.363 119.363 118.502 0.861 18976 5287 1 7 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.368 -0.134 18976 5288 1 7 . 1 1 19 19 PHE C C 19 177.290 177.290 177.098 0.192 18976 5289 1 7 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.791 0.966 18976 5290 1 7 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.904 0.235 18976 5291 1 7 . 1 1 19 19 PHE H H 19 8.859 8.859 7.686 1.173 18976 5292 1 7 . 1 1 20 20 SER N N 20 112.556 112.556 114.602 -2.046 18976 5293 1 7 . 1 1 20 20 SER HA H 20 4.142 4.142 4.036 0.106 18976 5294 1 7 . 1 1 20 20 SER C C 20 174.955 174.955 175.695 -0.740 18976 5295 1 7 . 1 1 20 20 SER CA C 20 61.007 61.007 61.313 -0.306 18976 5296 1 7 . 1 1 20 20 SER CB C 20 62.960 62.960 63.342 -0.382 18976 5297 1 7 . 1 1 20 20 SER H H 20 7.934 7.934 7.624 0.310 18976 5298 1 7 . 1 1 21 21 LEU N N 21 120.816 120.816 121.258 -0.442 18976 5299 1 7 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.078 -0.062 18976 5300 1 7 . 1 1 21 21 LEU C C 21 178.010 178.010 178.038 -0.028 18976 5301 1 7 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.095 -0.300 18976 5302 1 7 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.900 -0.768 18976 5303 1 7 . 1 1 21 21 LEU H H 21 7.434 7.434 7.421 0.013 18976 5304 1 7 . 1 1 22 22 PHE N N 22 115.049 115.049 113.670 1.379 18976 5305 1 7 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.322 -0.078 18976 5306 1 7 . 1 1 22 22 PHE C C 22 176.762 176.762 176.911 -0.149 18976 5307 1 7 . 1 1 22 22 PHE CA C 22 59.020 59.020 56.878 2.142 18976 5308 1 7 . 1 1 22 22 PHE CB C 22 40.730 40.730 38.518 2.212 18976 5309 1 7 . 1 1 22 22 PHE H H 22 7.326 7.326 7.452 -0.126 18976 5310 1 7 . 1 1 23 23 ASP N N 23 117.496 117.496 119.908 -2.412 18976 5311 1 7 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.853 -0.302 18976 5312 1 7 . 1 1 23 23 ASP C C 23 177.167 177.167 176.947 0.220 18976 5313 1 7 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.117 -1.076 18976 5314 1 7 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.418 -0.820 18976 5315 1 7 . 1 1 23 23 ASP H H 23 7.851 7.851 7.818 0.033 18976 5316 1 7 . 1 1 24 24 LYS N N 24 124.470 124.470 122.986 1.484 18976 5317 1 7 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.016 -0.032 18976 5318 1 7 . 1 1 24 24 LYS C C 24 178.127 178.127 177.710 0.417 18976 5319 1 7 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.542 -0.384 18976 5320 1 7 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.480 -0.097 18976 5321 1 7 . 1 1 24 24 LYS H H 24 7.687 7.687 7.756 -0.069 18976 5322 1 7 . 1 1 25 25 ASP N N 25 113.822 113.822 115.219 -1.397 18976 5323 1 7 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.474 0.132 18976 5324 1 7 . 1 1 25 25 ASP C C 25 177.687 177.687 177.439 0.248 18976 5325 1 7 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.835 -1.376 18976 5326 1 7 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.110 -0.919 18976 5327 1 7 . 1 1 25 25 ASP H H 25 8.067 8.067 7.755 0.312 18976 5328 1 7 . 1 1 26 26 GLY N N 26 109.208 109.208 109.132 0.076 18976 5329 1 7 . 1 1 26 26 GLY C C 26 175.132 175.132 175.121 0.011 18976 5330 1 7 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.061 0.813 18976 5331 1 7 . 1 1 26 26 GLY H H 26 7.698 7.698 7.532 0.166 18976 5332 1 7 . 1 1 27 27 ASP N N 27 120.603 120.603 119.755 0.848 18976 5333 1 7 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.661 -0.138 18976 5334 1 7 . 1 1 27 27 ASP C C 27 177.452 177.452 177.742 -0.290 18976 5335 1 7 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.328 0.166 18976 5336 1 7 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.423 -1.175 18976 5337 1 7 . 1 1 27 27 ASP H H 27 8.397 8.397 8.492 -0.095 18976 5338 1 7 . 1 1 28 28 GLY N N 28 113.187 113.187 109.344 3.843 18976 5339 1 7 . 1 1 28 28 GLY C C 28 173.679 173.679 173.829 -0.150 18976 5340 1 7 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.339 -0.158 18976 5341 1 7 . 1 1 28 28 GLY H H 28 10.648 10.648 8.467 2.181 18976 5342 1 7 . 1 1 29 29 THR N N 29 112.865 112.865 111.730 1.135 18976 5343 1 7 . 1 1 29 29 THR HA H 29 5.310 5.310 5.266 0.044 18976 5344 1 7 . 1 1 29 29 THR C C 29 172.872 172.872 173.327 -0.455 18976 5345 1 7 . 1 1 29 29 THR CA C 29 59.764 59.764 60.915 -1.151 18976 5346 1 7 . 1 1 29 29 THR CB C 29 72.319 72.319 71.558 0.761 18976 5347 1 7 . 1 1 29 29 THR H H 29 8.144 8.144 8.442 -0.298 18976 5348 1 7 . 1 1 30 30 ILE N N 30 127.035 127.035 127.903 -0.868 18976 5349 1 7 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.564 0.416 18976 5350 1 7 . 1 1 30 30 ILE C C 30 176.072 176.072 176.278 -0.206 18976 5351 1 7 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.454 -0.310 18976 5352 1 7 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.650 1.652 18976 5353 1 7 . 1 1 30 30 ILE H H 30 9.821 9.821 9.066 0.755 18976 5354 1 7 . 1 1 31 31 THR N N 31 116.509 116.509 123.109 -6.600 18976 5355 1 7 . 1 1 31 31 THR HA H 31 4.800 4.800 4.512 0.288 18976 5356 1 7 . 1 1 31 31 THR C C 31 176.542 176.542 176.586 -0.044 18976 5357 1 7 . 1 1 31 31 THR CA C 31 59.396 59.396 62.877 -3.481 18976 5358 1 7 . 1 1 31 31 THR CB C 31 72.162 72.162 69.932 2.230 18976 5359 1 7 . 1 1 31 31 THR H H 31 8.469 8.469 8.687 -0.218 18976 5360 1 7 . 1 1 32 32 THR N N 32 112.790 112.790 116.613 -3.823 18976 5361 1 7 . 1 1 32 32 THR HA H 32 3.803 3.803 3.814 -0.011 18976 5362 1 7 . 1 1 32 32 THR C C 32 177.188 177.188 176.539 0.649 18976 5363 1 7 . 1 1 32 32 THR CA C 32 66.253 66.253 66.786 -0.533 18976 5364 1 7 . 1 1 32 32 THR CB C 32 67.459 67.459 68.806 -1.347 18976 5365 1 7 . 1 1 32 32 THR H H 32 9.128 9.128 8.925 0.203 18976 5366 1 7 . 1 1 33 33 LYS N N 33 120.844 120.844 121.147 -0.303 18976 5367 1 7 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.999 0.149 18976 5368 1 7 . 1 1 33 33 LYS C C 33 179.880 179.880 178.684 1.196 18976 5369 1 7 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.754 -0.815 18976 5370 1 7 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.188 0.047 18976 5371 1 7 . 1 1 33 33 LYS H H 33 7.695 7.695 8.373 -0.678 18976 5372 1 7 . 1 1 34 34 GLU N N 34 121.463 121.463 118.972 2.491 18976 5373 1 7 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.005 0.063 18976 5374 1 7 . 1 1 34 34 GLU C C 34 179.140 179.140 179.273 -0.133 18976 5375 1 7 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.065 0.074 18976 5376 1 7 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.374 0.171 18976 5377 1 7 . 1 1 34 34 GLU H H 34 7.687 7.687 7.683 0.004 18976 5378 1 7 . 1 1 35 35 LEU N N 35 120.583 120.583 120.414 0.169 18976 5379 1 7 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.149 -0.026 18976 5380 1 7 . 1 1 35 35 LEU C C 35 178.934 178.934 179.008 -0.074 18976 5381 1 7 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.361 0.466 18976 5382 1 7 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.476 0.904 18976 5383 1 7 . 1 1 35 35 LEU H H 35 8.745 8.745 8.303 0.442 18976 5384 1 7 . 1 1 36 36 GLY N N 36 128.127 128.127 105.700 22.427 18976 5385 1 7 . 1 1 36 36 GLY C C 36 175.177 175.177 175.987 -0.810 18976 5386 1 7 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.248 0.755 18976 5387 1 7 . 1 1 36 36 GLY H H 36 8.670 8.670 8.168 0.502 18976 5388 1 7 . 1 1 37 37 THR N N 37 117.925 117.925 117.821 0.104 18976 5389 1 7 . 1 1 37 37 THR HA H 37 3.938 3.938 3.912 0.026 18976 5390 1 7 . 1 1 37 37 THR C C 37 177.137 177.137 176.305 0.832 18976 5391 1 7 . 1 1 37 37 THR CA C 37 66.648 66.648 66.797 -0.149 18976 5392 1 7 . 1 1 37 37 THR CB C 37 68.383 68.383 68.826 -0.443 18976 5393 1 7 . 1 1 37 37 THR H H 37 7.930 7.930 7.941 -0.011 18976 5394 1 7 . 1 1 38 38 VAL N N 38 122.046 122.046 121.656 0.390 18976 5395 1 7 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.514 0.009 18976 5396 1 7 . 1 1 38 38 VAL C C 38 179.243 179.243 177.572 1.671 18976 5397 1 7 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.804 0.158 18976 5398 1 7 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.257 -0.187 18976 5399 1 7 . 1 1 38 38 VAL H H 38 7.643 7.643 7.046 0.597 18976 5400 1 7 . 1 1 39 39 MET N N 39 118.442 118.442 117.561 0.881 18976 5401 1 7 . 1 1 39 39 MET HA H 39 4.133 4.133 4.051 0.082 18976 5402 1 7 . 1 1 39 39 MET C C 39 179.125 179.125 178.290 0.835 18976 5403 1 7 . 1 1 39 39 MET CA C 39 58.886 58.886 57.190 1.696 18976 5404 1 7 . 1 1 39 39 MET CB C 39 31.211 31.211 31.186 0.025 18976 5405 1 7 . 1 1 39 39 MET H H 39 8.497 8.497 7.762 0.735 18976 5406 1 7 . 1 1 40 40 ARG N N 40 118.929 118.929 119.375 -0.446 18976 5407 1 7 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.044 0.789 18976 5408 1 7 . 1 1 40 40 ARG C C 40 181.224 181.224 179.315 1.909 18976 5409 1 7 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.505 -0.619 18976 5410 1 7 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.921 -1.086 18976 5411 1 7 . 1 1 40 40 ARG H H 40 8.536 8.536 8.082 0.454 18976 5412 1 7 . 1 1 41 41 SER N N 41 118.832 118.832 115.322 3.510 18976 5413 1 7 . 1 1 41 41 SER HA H 41 4.425 4.425 4.298 0.127 18976 5414 1 7 . 1 1 41 41 SER C C 41 174.839 174.839 175.570 -0.731 18976 5415 1 7 . 1 1 41 41 SER CA C 41 61.249 61.249 60.753 0.496 18976 5416 1 7 . 1 1 41 41 SER CB C 41 62.464 62.464 62.996 -0.532 18976 5417 1 7 . 1 1 41 41 SER H H 41 7.925 7.925 7.536 0.389 18976 5418 1 7 . 1 1 42 42 LEU N N 42 120.676 120.676 120.271 0.405 18976 5419 1 7 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.389 0.128 18976 5420 1 7 . 1 1 42 42 LEU C C 42 177.540 177.540 176.933 0.607 18976 5421 1 7 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.907 -0.675 18976 5422 1 7 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.889 -0.219 18976 5423 1 7 . 1 1 42 42 LEU H H 42 7.395 7.395 7.600 -0.205 18976 5424 1 7 . 1 1 43 43 GLY N N 43 106.840 106.840 107.298 -0.458 18976 5425 1 7 . 1 1 43 43 GLY C C 43 174.384 174.384 174.440 -0.056 18976 5426 1 7 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.156 0.152 18976 5427 1 7 . 1 1 43 43 GLY H H 43 7.885 7.885 7.522 0.363 18976 5428 1 7 . 1 1 44 44 GLN N N 44 118.414 118.414 121.475 -3.061 18976 5429 1 7 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.350 0.152 18976 5430 1 7 . 1 1 44 44 GLN C C 44 174.134 174.134 174.491 -0.357 18976 5431 1 7 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.009 0.175 18976 5432 1 7 . 1 1 44 44 GLN CB C 44 30.274 30.274 28.881 1.393 18976 5433 1 7 . 1 1 44 44 GLN H H 44 7.805 7.805 7.744 0.061 18976 5434 1 7 . 1 1 45 45 ASN N N 45 116.265 116.265 123.897 -7.632 18976 5435 1 7 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.639 0.562 18976 5436 1 7 . 1 1 45 45 ASN CA C 45 50.957 50.957 52.362 -1.405 18976 5437 1 7 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.955 -0.046 18976 5438 1 7 . 1 1 45 45 ASN H H 45 8.733 8.733 8.333 0.400 18976 5439 1 7 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.906 -0.119 18976 5440 1 7 . 1 1 46 46 PRO C C 46 177.745 177.745 175.616 2.129 18976 5441 1 7 . 1 1 46 46 PRO CA C 46 62.105 62.105 61.935 0.170 18976 5442 1 7 . 1 1 46 46 PRO CB C 46 31.703 31.703 34.458 -2.755 18976 5443 1 7 . 1 1 47 47 THR N N 47 112.958 112.958 113.875 -0.917 18976 5444 1 7 . 1 1 47 47 THR HA H 47 4.451 4.451 4.603 -0.152 18976 5445 1 7 . 1 1 47 47 THR C C 47 175.159 175.159 176.081 -0.922 18976 5446 1 7 . 1 1 47 47 THR CA C 47 60.078 60.078 59.693 0.385 18976 5447 1 7 . 1 1 47 47 THR CB C 47 71.001 71.001 70.533 0.468 18976 5448 1 7 . 1 1 47 47 THR H H 47 8.767 8.767 8.387 0.380 18976 5449 1 7 . 1 1 48 48 GLU N N 48 120.607 120.607 126.211 -5.604 18976 5450 1 7 . 1 1 48 48 GLU HA H 48 4.006 4.006 4.023 -0.017 18976 5451 1 7 . 1 1 48 48 GLU C C 48 178.949 178.949 177.836 1.113 18976 5452 1 7 . 1 1 48 48 GLU CA C 48 59.741 59.741 60.086 -0.345 18976 5453 1 7 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.134 -0.442 18976 5454 1 7 . 1 1 48 48 GLU H H 48 8.824 8.824 9.020 -0.196 18976 5455 1 7 . 1 1 49 49 ALA N N 49 120.678 120.678 121.944 -1.266 18976 5456 1 7 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.035 0.084 18976 5457 1 7 . 1 1 49 49 ALA C C 49 180.226 180.226 179.692 0.534 18976 5458 1 7 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.967 -0.251 18976 5459 1 7 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.287 -0.414 18976 5460 1 7 . 1 1 49 49 ALA H H 49 8.279 8.279 7.609 0.670 18976 5461 1 7 . 1 1 50 50 GLU N N 50 118.703 118.703 118.780 -0.077 18976 5462 1 7 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.065 -0.013 18976 5463 1 7 . 1 1 50 50 GLU C C 50 180.182 180.182 179.168 1.014 18976 5464 1 7 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.078 -0.221 18976 5465 1 7 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.531 -0.163 18976 5466 1 7 . 1 1 50 50 GLU H H 50 7.712 7.712 7.683 0.029 18976 5467 1 7 . 1 1 51 51 LEU N N 51 120.420 120.420 118.435 1.985 18976 5468 1 7 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.219 -0.125 18976 5469 1 7 . 1 1 51 51 LEU C C 51 178.494 178.494 179.487 -0.993 18976 5470 1 7 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.488 1.191 18976 5471 1 7 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.755 1.301 18976 5472 1 7 . 1 1 51 51 LEU H H 51 8.192 8.192 7.401 0.791 18976 5473 1 7 . 1 1 52 52 GLN N N 52 118.200 118.200 119.582 -1.382 18976 5474 1 7 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.988 -0.150 18976 5475 1 7 . 1 1 52 52 GLN C C 52 178.518 178.518 177.689 0.829 18976 5476 1 7 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.698 -0.501 18976 5477 1 7 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.068 -0.164 18976 5478 1 7 . 1 1 52 52 GLN H H 52 8.212 8.212 8.371 -0.159 18976 5479 1 7 . 1 1 53 53 ASP N N 53 119.922 119.922 120.137 -0.215 18976 5480 1 7 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.496 -0.066 18976 5481 1 7 . 1 1 53 53 ASP C C 53 178.635 178.635 178.416 0.219 18976 5482 1 7 . 1 1 53 53 ASP CA C 53 57.262 57.262 56.916 0.346 18976 5483 1 7 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.742 -0.780 18976 5484 1 7 . 1 1 53 53 ASP H H 53 8.108 8.108 7.765 0.343 18976 5485 1 7 . 1 1 54 54 MET N N 54 119.290 119.290 117.610 1.680 18976 5486 1 7 . 1 1 54 54 MET HA H 54 4.044 4.044 4.255 -0.211 18976 5487 1 7 . 1 1 54 54 MET C C 54 178.876 178.876 178.342 0.534 18976 5488 1 7 . 1 1 54 54 MET CA C 54 59.108 59.108 58.823 0.285 18976 5489 1 7 . 1 1 54 54 MET CB C 54 32.930 32.930 32.848 0.082 18976 5490 1 7 . 1 1 54 54 MET H H 54 7.865 7.865 7.471 0.394 18976 5491 1 7 . 1 1 55 55 ILE N N 55 118.056 118.056 121.010 -2.954 18976 5492 1 7 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.788 -0.273 18976 5493 1 7 . 1 1 55 55 ILE C C 55 177.760 177.760 177.832 -0.072 18976 5494 1 7 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.728 -0.248 18976 5495 1 7 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.966 -0.986 18976 5496 1 7 . 1 1 55 55 ILE H H 55 7.710 7.710 7.118 0.592 18976 5497 1 7 . 1 1 56 56 ASN N N 56 117.688 117.688 118.920 -1.232 18976 5498 1 7 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.474 -0.082 18976 5499 1 7 . 1 1 56 56 ASN C C 56 177.393 177.393 177.065 0.328 18976 5500 1 7 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.061 -0.475 18976 5501 1 7 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.193 -0.538 18976 5502 1 7 . 1 1 56 56 ASN H H 56 8.606 8.606 8.466 0.140 18976 5503 1 7 . 1 1 57 57 GLU N N 57 116.316 116.316 117.838 -1.522 18976 5504 1 7 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.291 -0.248 18976 5505 1 7 . 1 1 57 57 GLU C C 57 177.569 177.569 177.698 -0.129 18976 5506 1 7 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.298 0.334 18976 5507 1 7 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.894 0.205 18976 5508 1 7 . 1 1 57 57 GLU H H 57 7.580 7.580 7.641 -0.061 18976 5509 1 7 . 1 1 58 58 VAL N N 58 108.390 108.390 118.900 -10.510 18976 5510 1 7 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.047 0.435 18976 5511 1 7 . 1 1 58 58 VAL C C 58 175.749 175.749 175.974 -0.225 18976 5512 1 7 . 1 1 58 58 VAL CA C 58 60.417 60.417 63.886 -3.469 18976 5513 1 7 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.542 -0.176 18976 5514 1 7 . 1 1 58 58 VAL H H 58 7.219 7.219 7.431 -0.212 18976 5515 1 7 . 1 1 59 59 ASP N N 59 121.728 121.728 121.001 0.727 18976 5516 1 7 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.576 0.066 18976 5517 1 7 . 1 1 59 59 ASP C C 59 176.219 176.219 176.079 0.140 18976 5518 1 7 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.925 -1.457 18976 5519 1 7 . 1 1 59 59 ASP CB C 59 39.865 39.865 40.904 -1.038 18976 5520 1 7 . 1 1 59 59 ASP H H 59 7.674 7.674 7.933 -0.259 18976 5521 1 7 . 1 1 60 60 ALA N N 60 109.214 109.214 130.218 -21.004 18976 5522 1 7 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.115 0.101 18976 5523 1 7 . 1 1 60 60 ALA C C 60 178.626 178.626 178.490 0.136 18976 5524 1 7 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.088 -0.103 18976 5525 1 7 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.402 -0.256 18976 5526 1 7 . 1 1 60 60 ALA H H 60 8.481 8.481 8.211 0.270 18976 5527 1 7 . 1 1 61 61 ASP N N 61 113.667 113.667 117.797 -4.130 18976 5528 1 7 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.556 0.067 18976 5529 1 7 . 1 1 61 61 ASP C C 61 177.848 177.848 177.672 0.176 18976 5530 1 7 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.846 -1.435 18976 5531 1 7 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.069 -1.518 18976 5532 1 7 . 1 1 61 61 ASP H H 61 8.158 8.158 8.295 -0.137 18976 5533 1 7 . 1 1 62 62 GLY N N 62 108.314 108.314 109.893 -1.579 18976 5534 1 7 . 1 1 62 62 GLY C C 62 174.933 174.933 174.549 0.384 18976 5535 1 7 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.432 1.510 18976 5536 1 7 . 1 1 62 62 GLY H H 62 7.585 7.585 8.458 -0.873 18976 5537 1 7 . 1 1 63 63 ASN N N 63 118.384 118.384 118.462 -0.078 18976 5538 1 7 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.748 -0.091 18976 5539 1 7 . 1 1 63 63 ASN C C 63 176.835 176.835 176.512 0.323 18976 5540 1 7 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.695 -0.472 18976 5541 1 7 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.378 -2.012 18976 5542 1 7 . 1 1 63 63 ASN H H 63 8.086 8.086 8.474 -0.388 18976 5543 1 7 . 1 1 64 64 GLY N N 64 113.412 113.412 109.244 4.168 18976 5544 1 7 . 1 1 64 64 GLY C C 64 173.254 173.254 173.321 -0.067 18976 5545 1 7 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.151 0.246 18976 5546 1 7 . 1 1 64 64 GLY H H 64 10.618 10.618 8.860 1.758 18976 5547 1 7 . 1 1 65 65 THR N N 65 108.877 108.877 113.393 -4.516 18976 5548 1 7 . 1 1 65 65 THR HA H 65 4.766 4.766 4.704 0.062 18976 5549 1 7 . 1 1 65 65 THR C C 65 173.195 173.195 173.080 0.115 18976 5550 1 7 . 1 1 65 65 THR CA C 65 59.301 59.301 61.294 -1.993 18976 5551 1 7 . 1 1 65 65 THR CB C 65 71.695 71.695 72.279 -0.584 18976 5552 1 7 . 1 1 65 65 THR H H 65 7.684 7.684 8.127 -0.443 18976 5553 1 7 . 1 1 66 66 ILE N N 66 123.673 123.673 125.014 -1.341 18976 5554 1 7 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.465 0.725 18976 5555 1 7 . 1 1 66 66 ILE C C 66 175.529 175.529 175.665 -0.136 18976 5556 1 7 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.262 -1.578 18976 5557 1 7 . 1 1 66 66 ILE CB C 66 39.417 39.417 37.863 1.554 18976 5558 1 7 . 1 1 66 66 ILE H H 66 8.912 8.912 8.480 0.432 18976 5559 1 7 . 1 1 67 67 ASP N N 67 128.135 128.135 128.501 -0.366 18976 5560 1 7 . 1 1 67 67 ASP HA H 67 5.384 5.384 4.888 0.496 18976 5561 1 7 . 1 1 67 67 ASP C C 67 176.322 176.322 177.214 -0.892 18976 5562 1 7 . 1 1 67 67 ASP CA C 67 51.843 51.843 54.983 -3.140 18976 5563 1 7 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.379 -1.592 18976 5564 1 7 . 1 1 67 67 ASP H H 67 8.824 8.824 8.645 0.179 18976 5565 1 7 . 1 1 68 68 PHE N N 68 118.627 118.627 121.705 -3.078 18976 5566 1 7 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.927 0.097 18976 5567 1 7 . 1 1 68 68 PHE CA C 68 63.170 63.170 61.983 1.187 18976 5568 1 7 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.645 -1.044 18976 5569 1 7 . 1 1 68 68 PHE H H 68 8.943 8.943 8.814 0.129 18976 5570 1 7 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.963 -0.087 18976 5571 1 7 . 1 1 69 69 PRO C C 69 180.037 180.037 178.833 1.204 18976 5572 1 7 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.627 0.765 18976 5573 1 7 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.735 -0.361 18976 5574 1 7 . 1 1 70 70 GLU N N 70 117.615 117.615 118.472 -0.857 18976 5575 1 7 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.096 0.012 18976 5576 1 7 . 1 1 70 70 GLU C C 70 178.773 178.773 178.535 0.238 18976 5577 1 7 . 1 1 70 70 GLU CA C 70 58.566 58.566 59.387 -0.821 18976 5578 1 7 . 1 1 70 70 GLU CB C 70 29.026 29.026 28.990 0.036 18976 5579 1 7 . 1 1 70 70 GLU H H 70 7.969 7.969 8.181 -0.212 18976 5580 1 7 . 1 1 71 71 PHE N N 71 123.460 123.460 122.446 1.014 18976 5581 1 7 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.360 -0.386 18976 5582 1 7 . 1 1 71 71 PHE C C 71 177.041 177.041 176.939 0.102 18976 5583 1 7 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.472 -0.445 18976 5584 1 7 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.669 0.038 18976 5585 1 7 . 1 1 71 71 PHE H H 71 8.861 8.861 8.393 0.468 18976 5586 1 7 . 1 1 72 72 LEU N N 72 118.749 118.749 117.121 1.628 18976 5587 1 7 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.877 -0.509 18976 5588 1 7 . 1 1 72 72 LEU C C 72 178.949 178.949 177.556 1.393 18976 5589 1 7 . 1 1 72 72 LEU CA C 72 57.596 57.596 56.840 0.756 18976 5590 1 7 . 1 1 72 72 LEU CB C 72 40.742 40.742 41.452 -0.710 18976 5591 1 7 . 1 1 72 72 LEU H H 72 8.411 8.411 8.121 0.290 18976 5592 1 7 . 1 1 73 73 THR N N 73 115.213 115.213 113.161 2.052 18976 5593 1 7 . 1 1 73 73 THR HA H 73 3.753 3.753 4.060 -0.307 18976 5594 1 7 . 1 1 73 73 THR C C 73 175.955 175.955 175.832 0.123 18976 5595 1 7 . 1 1 73 73 THR CA C 73 66.313 66.313 65.305 1.008 18976 5596 1 7 . 1 1 73 73 THR CB C 73 68.075 68.075 69.213 -1.138 18976 5597 1 7 . 1 1 73 73 THR H H 73 7.522 7.522 7.127 0.395 18976 5598 1 7 . 1 1 74 74 MET N N 74 121.455 121.455 122.418 -0.963 18976 5599 1 7 . 1 1 74 74 MET HA H 74 3.773 3.773 4.206 -0.433 18976 5600 1 7 . 1 1 74 74 MET C C 74 178.098 178.098 178.430 -0.332 18976 5601 1 7 . 1 1 74 74 MET CA C 74 58.603 58.603 58.001 0.603 18976 5602 1 7 . 1 1 74 74 MET CB C 74 32.905 32.905 32.607 0.298 18976 5603 1 7 . 1 1 74 74 MET H H 74 7.783 7.783 8.073 -0.290 18976 5604 1 7 . 1 1 75 75 MET N N 75 116.557 116.557 116.678 -0.121 18976 5605 1 7 . 1 1 75 75 MET HA H 75 3.998 3.998 4.277 -0.279 18976 5606 1 7 . 1 1 75 75 MET C C 75 178.700 178.700 177.696 1.004 18976 5607 1 7 . 1 1 75 75 MET CA C 75 55.472 55.472 57.779 -2.307 18976 5608 1 7 . 1 1 75 75 MET CB C 75 30.693 30.693 31.162 -0.469 18976 5609 1 7 . 1 1 75 75 MET H H 75 8.077 8.077 8.233 -0.156 18976 5610 1 7 . 1 1 76 76 ALA N N 76 122.410 122.410 121.605 0.805 18976 5611 1 7 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.105 -0.016 18976 5612 1 7 . 1 1 76 76 ALA C C 76 179.683 179.683 179.501 0.182 18976 5613 1 7 . 1 1 76 76 ALA CA C 76 54.376 54.376 53.781 0.595 18976 5614 1 7 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.151 -0.372 18976 5615 1 7 . 1 1 76 76 ALA H H 76 8.303 8.303 8.313 -0.010 18976 5616 1 7 . 1 1 77 77 ARG N N 77 116.451 116.451 118.385 -1.934 18976 5617 1 7 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.093 0.009 18976 5618 1 7 . 1 1 77 77 ARG C C 77 177.701 177.701 177.706 -0.005 18976 5619 1 7 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.604 -0.562 18976 5620 1 7 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.197 -0.189 18976 5621 1 7 . 1 1 77 77 ARG H H 77 7.622 7.622 7.627 -0.005 18976 5622 1 7 . 1 1 78 78 LYS N N 78 118.021 118.021 116.176 1.845 18976 5623 1 7 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.494 -0.255 18976 5624 1 7 . 1 1 78 78 LYS C C 78 177.525 177.525 176.528 0.997 18976 5625 1 7 . 1 1 78 78 LYS CA C 78 56.721 56.721 55.836 0.885 18976 5626 1 7 . 1 1 78 78 LYS CB C 78 32.213 32.213 33.182 -0.969 18976 5627 1 7 . 1 1 78 78 LYS H H 78 7.577 7.577 7.492 0.085 18976 5628 1 7 . 1 1 79 79 MET N N 79 118.929 118.929 118.039 0.890 18976 5629 1 7 . 1 1 79 79 MET HA H 79 4.351 4.351 4.639 -0.288 18976 5630 1 7 . 1 1 79 79 MET C C 79 176.322 176.322 176.658 -0.336 18976 5631 1 7 . 1 1 79 79 MET CA C 79 56.345 56.345 53.340 3.005 18976 5632 1 7 . 1 1 79 79 MET CB C 79 32.946 32.946 31.422 1.524 18976 5633 1 7 . 1 1 79 79 MET H H 79 7.772 7.772 7.426 0.346 18976 5634 1 7 . 1 1 80 80 LYS N N 80 120.686 120.686 120.835 -0.149 18976 5635 1 7 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.019 0.308 18976 5636 1 7 . 1 1 80 80 LYS C C 80 176.395 176.395 178.224 -1.829 18976 5637 1 7 . 1 1 80 80 LYS CA C 80 56.144 56.144 59.806 -3.662 18976 5638 1 7 . 1 1 80 80 LYS CB C 80 32.808 32.808 32.079 0.729 18976 5639 1 7 . 1 1 80 80 LYS H H 80 7.955 7.955 8.340 -0.385 18976 5640 1 7 . 1 1 81 81 ASP N N 81 121.721 121.721 119.118 2.603 18976 5641 1 7 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.409 0.280 18976 5642 1 7 . 1 1 81 81 ASP C C 81 176.644 176.644 177.772 -1.128 18976 5643 1 7 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.409 -3.123 18976 5644 1 7 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.466 0.327 18976 5645 1 7 . 1 1 81 81 ASP H H 81 8.341 8.341 8.166 0.175 18976 5646 1 7 . 1 1 82 82 THR N N 82 114.594 114.594 114.389 0.205 18976 5647 1 7 . 1 1 82 82 THR HA H 82 4.323 4.323 4.105 0.218 18976 5648 1 7 . 1 1 82 82 THR C C 82 174.584 174.584 176.429 -1.845 18976 5649 1 7 . 1 1 82 82 THR CA C 82 61.955 61.955 66.086 -4.131 18976 5650 1 7 . 1 1 82 82 THR CB C 82 69.586 69.586 68.727 0.859 18976 5651 1 7 . 1 1 82 82 THR H H 82 8.123 8.123 7.344 0.779 18976 5652 1 7 . 1 1 83 83 ASP N N 83 123.126 123.126 121.489 1.637 18976 5653 1 7 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.480 0.219 18976 5654 1 7 . 1 1 83 83 ASP C C 83 176.674 176.674 178.077 -1.403 18976 5655 1 7 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.485 -1.994 18976 5656 1 7 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.578 0.462 18976 5657 1 7 . 1 1 83 83 ASP H H 83 8.439 8.439 7.767 0.672 18976 5658 1 7 . 1 1 84 84 SER N N 84 116.982 116.982 115.613 1.369 18976 5659 1 7 . 1 1 84 84 SER HA H 84 4.458 4.458 4.089 0.369 18976 5660 1 7 . 1 1 84 84 SER C C 84 175.393 175.393 176.180 -0.787 18976 5661 1 7 . 1 1 84 84 SER CA C 84 58.943 58.943 62.028 -3.085 18976 5662 1 7 . 1 1 84 84 SER CB C 84 63.550 63.550 62.823 0.727 18976 5663 1 7 . 1 1 84 84 SER H H 84 8.418 8.418 7.883 0.535 18976 5664 1 7 . 1 1 85 85 GLU N N 85 122.632 122.632 120.812 1.820 18976 5665 1 7 . 1 1 85 85 GLU HA H 85 4.211 4.211 3.961 0.250 18976 5666 1 7 . 1 1 85 85 GLU C C 85 177.716 177.716 178.546 -0.830 18976 5667 1 7 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.405 -0.866 18976 5668 1 7 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.946 0.281 18976 5669 1 7 . 1 1 85 85 GLU H H 85 8.504 8.504 7.920 0.584 18976 5670 1 7 . 1 1 86 86 GLU N N 86 119.077 119.077 119.948 -0.871 18976 5671 1 7 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.204 -0.143 18976 5672 1 7 . 1 1 86 86 GLU C C 86 178.885 178.885 178.893 -0.008 18976 5673 1 7 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.203 1.162 18976 5674 1 7 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.396 -0.331 18976 5675 1 7 . 1 1 86 86 GLU H H 86 8.333 8.333 7.795 0.538 18976 5676 1 7 . 1 1 87 87 GLU N N 87 119.138 119.138 121.309 -2.171 18976 5677 1 7 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.109 0.037 18976 5678 1 7 . 1 1 87 87 GLU C C 87 179.823 179.823 178.854 0.969 18976 5679 1 7 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.329 -0.419 18976 5680 1 7 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.312 -0.046 18976 5681 1 7 . 1 1 87 87 GLU H H 87 8.130 8.130 8.102 0.028 18976 5682 1 7 . 1 1 88 88 LEU N N 88 122.103 122.103 120.598 1.505 18976 5683 1 7 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.176 0.215 18976 5684 1 7 . 1 1 88 88 LEU C C 88 178.905 178.905 178.756 0.149 18976 5685 1 7 . 1 1 88 88 LEU CA C 88 57.716 57.716 58.105 -0.389 18976 5686 1 7 . 1 1 88 88 LEU CB C 88 41.861 41.861 42.039 -0.178 18976 5687 1 7 . 1 1 88 88 LEU H H 88 8.152 8.152 8.183 -0.031 18976 5688 1 7 . 1 1 89 89 ARG N N 89 120.092 120.092 118.601 1.491 18976 5689 1 7 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.029 0.021 18976 5690 1 7 . 1 1 89 89 ARG C C 89 179.507 179.507 178.922 0.585 18976 5691 1 7 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.997 -0.586 18976 5692 1 7 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.952 -0.492 18976 5693 1 7 . 1 1 89 89 ARG H H 89 8.499 8.499 7.973 0.526 18976 5694 1 7 . 1 1 90 90 GLU N N 90 119.315 119.315 119.799 -0.484 18976 5695 1 7 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.176 -0.009 18976 5696 1 7 . 1 1 90 90 GLU C C 90 178.068 178.068 178.319 -0.251 18976 5697 1 7 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.956 -0.366 18976 5698 1 7 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.740 -0.811 18976 5699 1 7 . 1 1 90 90 GLU H H 90 8.040 8.040 8.127 -0.087 18976 5700 1 7 . 1 1 91 91 ALA N N 91 121.794 121.794 122.703 -0.909 18976 5701 1 7 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.111 0.100 18976 5702 1 7 . 1 1 91 91 ALA C C 91 179.855 179.855 179.275 0.580 18976 5703 1 7 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.187 -0.461 18976 5704 1 7 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.456 -0.886 18976 5705 1 7 . 1 1 91 91 ALA H H 91 7.996 7.996 8.046 -0.050 18976 5706 1 7 . 1 1 92 92 PHE N N 92 119.368 119.368 118.869 0.499 18976 5707 1 7 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.951 -0.821 18976 5708 1 7 . 1 1 92 92 PHE C C 92 176.454 176.454 177.003 -0.549 18976 5709 1 7 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.942 0.290 18976 5710 1 7 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.245 -0.318 18976 5711 1 7 . 1 1 92 92 PHE H H 92 8.360 8.360 8.328 0.032 18976 5712 1 7 . 1 1 93 93 ARG N N 93 117.178 117.178 119.094 -1.916 18976 5713 1 7 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.919 -0.054 18976 5714 1 7 . 1 1 93 93 ARG C C 93 178.421 178.421 177.727 0.694 18976 5715 1 7 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.188 -0.347 18976 5716 1 7 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.189 -0.283 18976 5717 1 7 . 1 1 93 93 ARG H H 93 7.895 7.895 7.384 0.511 18976 5718 1 7 . 1 1 94 94 VAL N N 94 115.719 115.719 117.930 -2.211 18976 5719 1 7 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.638 -0.038 18976 5720 1 7 . 1 1 94 94 VAL C C 94 177.334 177.334 177.804 -0.470 18976 5721 1 7 . 1 1 94 94 VAL CA C 94 65.032 65.032 66.028 -0.996 18976 5722 1 7 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.699 -0.155 18976 5723 1 7 . 1 1 94 94 VAL H H 94 7.541 7.541 8.051 -0.510 18976 5724 1 7 . 1 1 95 95 GLU N N 95 117.921 117.921 117.122 0.799 18976 5725 1 7 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.016 -0.008 18976 5726 1 7 . 1 1 95 95 GLU C C 95 176.953 176.953 176.802 0.151 18976 5727 1 7 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.505 -0.249 18976 5728 1 7 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.003 -1.316 18976 5729 1 7 . 1 1 95 95 GLU H H 95 7.011 7.011 7.518 -0.507 18976 5730 1 7 . 1 1 96 96 ASP N N 96 117.365 117.365 119.108 -1.743 18976 5731 1 7 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.633 -0.183 18976 5732 1 7 . 1 1 96 96 ASP C C 96 177.202 177.202 176.273 0.929 18976 5733 1 7 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.627 -2.154 18976 5734 1 7 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.932 -1.858 18976 5735 1 7 . 1 1 96 96 ASP H H 96 7.626 7.626 7.579 0.047 18976 5736 1 7 . 1 1 97 97 LYS N N 97 124.733 124.733 123.840 0.893 18976 5737 1 7 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.061 -0.160 18976 5738 1 7 . 1 1 97 97 LYS C C 97 178.333 178.333 178.091 0.242 18976 5739 1 7 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.656 0.949 18976 5740 1 7 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.508 -0.078 18976 5741 1 7 . 1 1 97 97 LYS H H 97 7.357 7.357 7.874 -0.517 18976 5742 1 7 . 1 1 98 98 ASP N N 98 114.048 114.048 115.843 -1.795 18976 5743 1 7 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.491 0.077 18976 5744 1 7 . 1 1 98 98 ASP C C 98 177.775 177.775 177.548 0.227 18976 5745 1 7 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.408 -1.751 18976 5746 1 7 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.478 -0.885 18976 5747 1 7 . 1 1 98 98 ASP H H 98 8.352 8.352 8.035 0.317 18976 5748 1 7 . 1 1 99 99 GLY N N 99 109.454 109.454 108.256 1.198 18976 5749 1 7 . 1 1 99 99 GLY C C 99 175.082 175.082 175.453 -0.371 18976 5750 1 7 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.887 0.940 18976 5751 1 7 . 1 1 99 99 GLY H H 99 7.828 7.828 7.905 -0.077 18976 5752 1 7 . 1 1 100 100 ASN N N 100 119.607 119.607 119.083 0.524 18976 5753 1 7 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.603 0.032 18976 5754 1 7 . 1 1 100 100 ASN C C 100 175.969 175.969 176.410 -0.441 18976 5755 1 7 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.802 -0.319 18976 5756 1 7 . 1 1 100 100 ASN CB C 100 37.881 37.881 38.919 -1.038 18976 5757 1 7 . 1 1 100 100 ASN H H 100 8.334 8.334 8.407 -0.073 18976 5758 1 7 . 1 1 101 101 GLY N N 101 113.007 113.007 107.508 5.499 18976 5759 1 7 . 1 1 101 101 GLY C C 101 172.314 172.314 172.909 -0.595 18976 5760 1 7 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.117 -0.435 18976 5761 1 7 . 1 1 101 101 GLY H H 101 10.640 10.640 8.088 2.552 18976 5762 1 7 . 1 1 102 102 TYR N N 102 115.913 115.913 117.732 -1.819 18976 5763 1 7 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.478 -0.292 18976 5764 1 7 . 1 1 102 102 TYR C C 102 174.736 174.736 175.200 -0.464 18976 5765 1 7 . 1 1 102 102 TYR CA C 102 55.662 55.662 55.293 0.369 18976 5766 1 7 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.273 2.528 18976 5767 1 7 . 1 1 102 102 TYR H H 102 7.610 7.610 7.934 -0.324 18976 5768 1 7 . 1 1 103 103 ILE N N 103 127.698 127.698 124.454 3.244 18976 5769 1 7 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.521 0.295 18976 5770 1 7 . 1 1 103 103 ILE C C 103 175.634 175.634 176.029 -0.395 18976 5771 1 7 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.242 0.196 18976 5772 1 7 . 1 1 103 103 ILE CB C 103 38.919 38.919 38.799 0.120 18976 5773 1 7 . 1 1 103 103 ILE H H 103 10.228 10.228 8.608 1.620 18976 5774 1 7 . 1 1 104 104 SER N N 104 123.581 123.581 122.388 1.193 18976 5775 1 7 . 1 1 104 104 SER HA H 104 4.849 4.849 4.994 -0.145 18976 5776 1 7 . 1 1 104 104 SER C C 104 175.191 175.191 175.252 -0.061 18976 5777 1 7 . 1 1 104 104 SER CA C 104 55.499 55.499 55.417 0.082 18976 5778 1 7 . 1 1 104 104 SER CB C 104 66.371 66.371 65.537 0.834 18976 5779 1 7 . 1 1 104 104 SER H H 104 8.947 8.947 8.247 0.700 18976 5780 1 7 . 1 1 105 105 ALA N N 105 122.829 122.829 127.064 -4.235 18976 5781 1 7 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.074 -0.145 18976 5782 1 7 . 1 1 105 105 ALA C C 105 179.272 179.272 178.860 0.412 18976 5783 1 7 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.365 0.294 18976 5784 1 7 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.592 -0.909 18976 5785 1 7 . 1 1 105 105 ALA H H 105 9.251 9.251 9.142 0.110 18976 5786 1 7 . 1 1 106 106 ALA N N 106 118.442 118.442 120.702 -2.260 18976 5787 1 7 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.860 0.177 18976 5788 1 7 . 1 1 106 106 ALA C C 106 181.180 181.180 178.575 2.605 18976 5789 1 7 . 1 1 106 106 ALA CA C 106 54.841 54.841 55.038 -0.197 18976 5790 1 7 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.043 -0.000 18976 5791 1 7 . 1 1 106 106 ALA H H 106 8.209 8.209 8.201 0.008 18976 5792 1 7 . 1 1 107 107 GLU N N 107 118.406 118.406 118.189 0.217 18976 5793 1 7 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.105 -0.113 18976 5794 1 7 . 1 1 107 107 GLU C C 107 179.272 179.272 178.684 0.588 18976 5795 1 7 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.413 0.728 18976 5796 1 7 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.430 -0.674 18976 5797 1 7 . 1 1 107 107 GLU H H 107 7.752 7.752 7.679 0.073 18976 5798 1 7 . 1 1 108 108 LEU N N 108 122.413 122.413 119.812 2.601 18976 5799 1 7 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.000 0.072 18976 5800 1 7 . 1 1 108 108 LEU C C 108 178.553 178.553 179.043 -0.490 18976 5801 1 7 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.879 -0.587 18976 5802 1 7 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.643 -0.200 18976 5803 1 7 . 1 1 108 108 LEU H H 108 8.793 8.793 8.036 0.757 18976 5804 1 7 . 1 1 109 109 ARG N N 109 118.074 118.074 118.372 -0.298 18976 5805 1 7 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.019 -0.162 18976 5806 1 7 . 1 1 109 109 ARG C C 109 179.140 179.140 178.878 0.262 18976 5807 1 7 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.541 0.245 18976 5808 1 7 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.072 -0.248 18976 5809 1 7 . 1 1 109 109 ARG H H 109 8.421 8.421 7.430 0.991 18976 5810 1 7 . 1 1 110 110 ILE N N 110 120.191 120.191 120.207 -0.016 18976 5811 1 7 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.003 -0.216 18976 5812 1 7 . 1 1 110 110 ILE C C 110 177.804 177.804 177.609 0.195 18976 5813 1 7 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.513 1.040 18976 5814 1 7 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.432 -0.374 18976 5815 1 7 . 1 1 110 110 ILE H H 110 7.401 7.401 7.400 0.001 18976 5816 1 7 . 1 1 111 111 VAL N N 111 120.330 120.330 121.621 -1.291 18976 5817 1 7 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.720 0.043 18976 5818 1 7 . 1 1 111 111 VAL C C 111 178.802 178.802 177.523 1.279 18976 5819 1 7 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.526 0.164 18976 5820 1 7 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.761 -0.169 18976 5821 1 7 . 1 1 111 111 VAL H H 111 7.907 7.907 7.635 0.272 18976 5822 1 7 . 1 1 112 112 MET N N 112 116.794 116.794 117.685 -0.891 18976 5823 1 7 . 1 1 112 112 MET HA H 112 4.396 4.396 4.210 0.186 18976 5824 1 7 . 1 1 112 112 MET C C 112 178.890 178.890 178.364 0.526 18976 5825 1 7 . 1 1 112 112 MET CA C 112 56.719 56.719 57.773 -1.054 18976 5826 1 7 . 1 1 112 112 MET CB C 112 30.384 30.384 31.244 -0.860 18976 5827 1 7 . 1 1 112 112 MET H H 112 8.355 8.355 8.173 0.182 18976 5828 1 7 . 1 1 113 113 THR N N 113 117.282 117.282 109.727 7.555 18976 5829 1 7 . 1 1 113 113 THR HA H 113 4.187 4.187 4.285 -0.098 18976 5830 1 7 . 1 1 113 113 THR C C 113 178.112 178.112 176.459 1.653 18976 5831 1 7 . 1 1 113 113 THR CA C 113 65.902 65.902 64.483 1.419 18976 5832 1 7 . 1 1 113 113 THR CB C 113 68.642 68.642 68.728 -0.087 18976 5833 1 7 . 1 1 113 113 THR H H 113 8.314 8.314 7.588 0.726 18976 5834 1 7 . 1 1 114 114 ASN N N 114 122.220 122.220 117.734 4.486 18976 5835 1 7 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.597 -0.005 18976 5836 1 7 . 1 1 114 114 ASN C C 114 176.644 176.644 176.603 0.041 18976 5837 1 7 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.496 0.658 18976 5838 1 7 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.424 -0.828 18976 5839 1 7 . 1 1 114 114 ASN H H 114 8.483 8.483 7.430 1.053 18976 5840 1 7 . 1 1 115 115 ARG N N 115 117.970 117.970 118.443 -0.473 18976 5841 1 7 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.357 0.072 18976 5842 1 7 . 1 1 115 115 ARG C C 115 176.366 176.366 177.211 -0.845 18976 5843 1 7 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.157 0.242 18976 5844 1 7 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.112 0.388 18976 5845 1 7 . 1 1 115 115 ARG H H 115 7.776 7.776 7.943 -0.167 18976 5846 1 7 . 1 1 116 116 GLY N N 116 107.547 107.547 106.246 1.301 18976 5847 1 7 . 1 1 116 116 GLY C C 116 174.384 174.384 174.616 -0.232 18976 5848 1 7 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.021 0.186 18976 5849 1 7 . 1 1 116 116 GLY H H 116 7.968 7.968 7.947 0.021 18976 5850 1 7 . 1 1 117 117 GLU N N 117 119.975 119.975 121.601 -1.626 18976 5851 1 7 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.576 -0.170 18976 5852 1 7 . 1 1 117 117 GLU C C 117 175.558 175.558 175.084 0.474 18976 5853 1 7 . 1 1 117 117 GLU CA C 117 55.177 55.177 55.070 0.107 18976 5854 1 7 . 1 1 117 117 GLU CB C 117 30.400 30.400 31.429 -1.029 18976 5855 1 7 . 1 1 117 117 GLU H H 117 7.934 7.934 8.092 -0.158 18976 5856 1 7 . 1 1 118 118 LYS N N 118 124.035 124.035 120.635 3.400 18976 5857 1 7 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.553 -0.149 18976 5858 1 7 . 1 1 118 118 LYS C C 118 175.441 175.441 175.046 0.395 18976 5859 1 7 . 1 1 118 118 LYS CA C 118 55.267 55.267 55.560 -0.294 18976 5860 1 7 . 1 1 118 118 LYS CB C 118 31.850 31.850 34.031 -2.181 18976 5861 1 7 . 1 1 118 118 LYS H H 118 8.626 8.626 8.340 0.286 18976 5862 1 7 . 1 1 119 119 LEU N N 119 124.745 124.745 126.798 -2.053 18976 5863 1 7 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.632 0.138 18976 5864 1 7 . 1 1 119 119 LEU C C 119 178.127 178.127 176.900 1.227 18976 5865 1 7 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.396 0.443 18976 5866 1 7 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.488 -0.165 18976 5867 1 7 . 1 1 119 119 LEU H H 119 8.140 8.140 8.397 -0.257 18976 5868 1 7 . 1 1 120 120 THR N N 120 114.555 114.555 118.196 -3.641 18976 5869 1 7 . 1 1 120 120 THR HA H 120 4.477 4.477 4.263 0.214 18976 5870 1 7 . 1 1 120 120 THR C C 120 175.514 175.514 175.493 0.021 18976 5871 1 7 . 1 1 120 120 THR CA C 120 60.613 60.613 62.409 -1.796 18976 5872 1 7 . 1 1 120 120 THR CB C 120 70.902 70.902 70.072 0.830 18976 5873 1 7 . 1 1 120 120 THR H H 120 9.220 9.220 8.423 0.797 18976 5874 1 7 . 1 1 121 121 ASP N N 121 121.128 121.128 122.697 -1.569 18976 5875 1 7 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.197 0.031 18976 5876 1 7 . 1 1 121 121 ASP C C 121 178.655 178.655 178.413 0.242 18976 5877 1 7 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.643 0.109 18976 5878 1 7 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.259 -0.944 18976 5879 1 7 . 1 1 121 121 ASP H H 121 8.921 8.921 8.799 0.122 18976 5880 1 7 . 1 1 122 122 GLU N N 122 119.266 119.266 120.317 -1.051 18976 5881 1 7 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.077 0.042 18976 5882 1 7 . 1 1 122 122 GLU C C 122 179.184 179.184 178.709 0.475 18976 5883 1 7 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.395 0.377 18976 5884 1 7 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.320 -0.454 18976 5885 1 7 . 1 1 122 122 GLU H H 122 8.712 8.712 8.588 0.124 18976 5886 1 7 . 1 1 123 123 GLU N N 123 120.455 120.455 117.782 2.673 18976 5887 1 7 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.098 -0.075 18976 5888 1 7 . 1 1 123 123 GLU C C 123 180.123 180.123 179.142 0.981 18976 5889 1 7 . 1 1 123 123 GLU CA C 123 59.090 59.090 59.037 0.053 18976 5890 1 7 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.498 0.715 18976 5891 1 7 . 1 1 123 123 GLU H H 123 7.763 7.763 8.551 -0.788 18976 5892 1 7 . 1 1 124 124 VAL N N 124 121.726 121.726 114.872 6.854 18976 5893 1 7 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.782 -0.175 18976 5894 1 7 . 1 1 124 124 VAL C C 124 177.337 177.337 177.220 0.117 18976 5895 1 7 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.831 0.901 18976 5896 1 7 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.730 -0.688 18976 5897 1 7 . 1 1 124 124 VAL H H 124 8.119 8.119 8.019 0.100 18976 5898 1 7 . 1 1 125 125 ASP N N 125 119.880 119.880 120.748 -0.868 18976 5899 1 7 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.332 0.019 18976 5900 1 7 . 1 1 125 125 ASP C C 125 179.323 179.323 177.802 1.521 18976 5901 1 7 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.594 -0.219 18976 5902 1 7 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.880 -0.768 18976 5903 1 7 . 1 1 125 125 ASP H H 125 8.051 8.051 7.596 0.455 18976 5904 1 7 . 1 1 126 126 GLU N N 126 119.798 119.798 120.264 -0.466 18976 5905 1 7 . 1 1 126 126 GLU HA H 126 4.021 4.021 3.952 0.069 18976 5906 1 7 . 1 1 126 126 GLU C C 126 177.966 177.966 178.646 -0.680 18976 5907 1 7 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.392 -0.419 18976 5908 1 7 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.703 -0.619 18976 5909 1 7 . 1 1 126 126 GLU H H 126 8.047 8.047 8.072 -0.025 18976 5910 1 7 . 1 1 127 127 MET N N 127 119.443 119.443 116.520 2.923 18976 5911 1 7 . 1 1 127 127 MET HA H 127 4.137 4.137 4.215 -0.078 18976 5912 1 7 . 1 1 127 127 MET C C 127 179.859 179.859 178.825 1.034 18976 5913 1 7 . 1 1 127 127 MET CA C 127 59.137 59.137 57.682 1.455 18976 5914 1 7 . 1 1 127 127 MET CB C 127 32.239 32.239 31.783 0.456 18976 5915 1 7 . 1 1 127 127 MET H H 127 7.795 7.795 7.454 0.341 18976 5916 1 7 . 1 1 128 128 ILE N N 128 120.667 120.667 120.488 0.179 18976 5917 1 7 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.733 -0.212 18976 5918 1 7 . 1 1 128 128 ILE C C 128 177.657 177.657 177.862 -0.205 18976 5919 1 7 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.310 -0.498 18976 5920 1 7 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.383 -0.396 18976 5921 1 7 . 1 1 128 128 ILE H H 128 8.158 8.158 7.739 0.419 18976 5922 1 7 . 1 1 129 129 ARG N N 129 119.725 119.725 119.707 0.018 18976 5923 1 7 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.066 0.003 18976 5924 1 7 . 1 1 129 129 ARG C C 129 178.920 178.920 178.148 0.772 18976 5925 1 7 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.690 0.926 18976 5926 1 7 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.089 -0.207 18976 5927 1 7 . 1 1 129 129 ARG H H 129 8.270 8.270 7.466 0.804 18976 5928 1 7 . 1 1 130 130 GLU N N 130 115.236 115.236 116.445 -1.209 18976 5929 1 7 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.166 -0.072 18976 5930 1 7 . 1 1 130 130 GLU C C 130 177.349 177.349 178.246 -0.897 18976 5931 1 7 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.851 -0.951 18976 5932 1 7 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.593 0.230 18976 5933 1 7 . 1 1 130 130 GLU H H 130 7.953 7.953 8.209 -0.256 18976 5934 1 7 . 1 1 131 131 THR N N 131 112.585 112.585 112.148 0.437 18976 5935 1 7 . 1 1 131 131 THR HA H 131 4.239 4.239 4.281 -0.042 18976 5936 1 7 . 1 1 131 131 THR C C 131 174.149 174.149 173.591 0.558 18976 5937 1 7 . 1 1 131 131 THR CA C 131 62.887 62.887 63.352 -0.465 18976 5938 1 7 . 1 1 131 131 THR CB C 131 69.337 69.337 69.789 -0.452 18976 5939 1 7 . 1 1 131 131 THR H H 131 7.465 7.465 7.461 0.004 18976 5940 1 7 . 1 1 132 132 ASP N N 132 121.237 121.237 119.751 1.486 18976 5941 1 7 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.773 -0.295 18976 5942 1 7 . 1 1 132 132 ASP C C 132 175.777 175.777 176.720 -0.943 18976 5943 1 7 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.297 0.657 18976 5944 1 7 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.801 -2.361 18976 5945 1 7 . 1 1 132 132 ASP H H 132 8.070 8.070 7.940 0.130 18976 5946 1 7 . 1 1 133 133 ILE N N 133 127.244 127.244 119.903 7.341 18976 5947 1 7 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.279 -0.303 18976 5948 1 7 . 1 1 133 133 ILE C C 133 177.628 177.628 176.383 1.245 18976 5949 1 7 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.550 0.316 18976 5950 1 7 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.485 -0.007 18976 5951 1 7 . 1 1 133 133 ILE H H 133 8.345 8.345 8.483 -0.138 18976 5952 1 7 . 1 1 134 134 ASP N N 134 116.893 116.893 121.360 -4.467 18976 5953 1 7 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.627 -0.094 18976 5954 1 7 . 1 1 134 134 ASP C C 134 178.259 178.259 177.366 0.893 18976 5955 1 7 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.235 0.308 18976 5956 1 7 . 1 1 134 134 ASP CB C 134 39.838 39.838 41.029 -1.191 18976 5957 1 7 . 1 1 134 134 ASP H H 134 8.297 8.297 8.245 0.052 18976 5958 1 7 . 1 1 135 135 GLY N N 135 108.287 108.287 109.110 -0.823 18976 5959 1 7 . 1 1 135 135 GLY C C 135 175.250 175.250 175.025 0.225 18976 5960 1 7 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.880 1.217 18976 5961 1 7 . 1 1 135 135 GLY H H 135 7.623 7.623 8.143 -0.520 18976 5962 1 7 . 1 1 136 136 ASP N N 136 120.541 120.541 119.892 0.649 18976 5963 1 7 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.559 -0.079 18976 5964 1 7 . 1 1 136 136 ASP C C 136 177.584 177.584 177.788 -0.204 18976 5965 1 7 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.571 -0.196 18976 5966 1 7 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.283 -1.390 18976 5967 1 7 . 1 1 136 136 ASP H H 136 8.290 8.290 8.189 0.101 18976 5968 1 7 . 1 1 137 137 GLY N N 137 112.490 112.490 109.067 3.423 18976 5969 1 7 . 1 1 137 137 GLY C C 137 172.828 172.828 173.334 -0.506 18976 5970 1 7 . 1 1 137 137 GLY CA C 137 45.470 45.470 44.933 0.537 18976 5971 1 7 . 1 1 137 137 GLY H H 137 10.224 10.224 8.218 2.006 18976 5972 1 7 . 1 1 138 138 GLN N N 138 115.266 115.266 117.991 -2.725 18976 5973 1 7 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.319 -0.450 18976 5974 1 7 . 1 1 138 138 GLN C C 138 174.677 174.677 174.577 0.100 18976 5975 1 7 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.379 -1.593 18976 5976 1 7 . 1 1 138 138 GLN CB C 138 31.743 31.743 34.200 -2.457 18976 5977 1 7 . 1 1 138 138 GLN H H 138 7.992 7.992 8.272 -0.280 18976 5978 1 7 . 1 1 139 139 VAL N N 139 125.667 125.667 121.728 3.939 18976 5979 1 7 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.497 0.615 18976 5980 1 7 . 1 1 139 139 VAL C C 139 175.763 175.763 175.473 0.290 18976 5981 1 7 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.593 0.086 18976 5982 1 7 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.821 0.711 18976 5983 1 7 . 1 1 139 139 VAL H H 139 9.227 9.227 8.544 0.683 18976 5984 1 7 . 1 1 140 140 ASN N N 140 128.431 128.431 125.439 2.992 18976 5985 1 7 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.451 -0.177 18976 5986 1 7 . 1 1 140 140 ASN C C 140 175.079 175.079 176.638 -1.559 18976 5987 1 7 . 1 1 140 140 ASN CA C 140 50.666 50.666 52.609 -1.943 18976 5988 1 7 . 1 1 140 140 ASN CB C 140 38.227 38.227 40.702 -2.475 18976 5989 1 7 . 1 1 140 140 ASN H H 140 9.360 9.360 7.880 1.480 18976 5990 1 7 . 1 1 141 141 TYR N N 141 119.146 119.146 121.334 -2.188 18976 5991 1 7 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.711 -0.325 18976 5992 1 7 . 1 1 141 141 TYR C C 141 176.092 176.092 177.640 -1.548 18976 5993 1 7 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.608 -0.550 18976 5994 1 7 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.271 -0.912 18976 5995 1 7 . 1 1 141 141 TYR H H 141 8.451 8.451 9.179 -0.728 18976 5996 1 7 . 1 1 142 142 GLU N N 142 118.431 118.431 118.898 -0.467 18976 5997 1 7 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.995 -0.313 18976 5998 1 7 . 1 1 142 142 GLU C C 142 180.226 180.226 178.321 1.905 18976 5999 1 7 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.986 0.097 18976 6000 1 7 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.273 -0.727 18976 6001 1 7 . 1 1 142 142 GLU H H 142 8.097 8.097 8.565 -0.468 18976 6002 1 7 . 1 1 143 143 GLU N N 143 120.068 120.068 117.820 2.248 18976 6003 1 7 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.125 -0.135 18976 6004 1 7 . 1 1 143 143 GLU C C 143 179.060 179.060 178.152 0.908 18976 6005 1 7 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.024 0.550 18976 6006 1 7 . 1 1 143 143 GLU CB C 143 29.182 29.182 28.896 0.286 18976 6007 1 7 . 1 1 143 143 GLU H H 143 8.667 8.667 8.342 0.325 18976 6008 1 7 . 1 1 144 144 PHE N N 144 123.392 123.392 122.785 0.607 18976 6009 1 7 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.338 -0.371 18976 6010 1 7 . 1 1 144 144 PHE C C 144 176.982 176.982 177.439 -0.457 18976 6011 1 7 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.059 0.387 18976 6012 1 7 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.404 0.291 18976 6013 1 7 . 1 1 144 144 PHE H H 144 8.731 8.731 8.226 0.505 18976 6014 1 7 . 1 1 145 145 VAL N N 145 119.201 119.201 118.149 1.052 18976 6015 1 7 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.317 -0.124 18976 6016 1 7 . 1 1 145 145 VAL C C 145 179.228 179.228 177.774 1.454 18976 6017 1 7 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.069 0.593 18976 6018 1 7 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.162 0.122 18976 6019 1 7 . 1 1 145 145 VAL H H 145 8.671 8.671 7.835 0.836 18976 6020 1 7 . 1 1 146 146 GLN N N 146 119.252 119.252 117.364 1.888 18976 6021 1 7 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.995 -0.079 18976 6022 1 7 . 1 1 146 146 GLN C C 146 177.825 177.825 178.153 -0.328 18976 6023 1 7 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.617 -0.050 18976 6024 1 7 . 1 1 146 146 GLN CB C 146 27.820 27.820 27.910 -0.090 18976 6025 1 7 . 1 1 146 146 GLN H H 146 7.767 7.767 7.588 0.179 18976 6026 1 7 . 1 1 147 147 ARG N N 147 118.529 118.529 119.464 -0.935 18976 6027 1 7 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.193 -0.021 18976 6028 1 7 . 1 1 147 147 ARG C C 147 178.112 178.112 177.797 0.315 18976 6029 1 7 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.422 -0.913 18976 6030 1 7 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.735 0.379 18976 6031 1 7 . 1 1 147 147 ARG H H 147 7.628 7.628 7.376 0.252 18976 6032 1 7 . 1 1 148 148 MET N N 148 115.755 115.755 115.447 0.308 18976 6033 1 7 . 1 1 148 148 MET HA H 148 4.304 4.304 4.122 0.182 18976 6034 1 7 . 1 1 148 148 MET C C 148 177.628 177.628 178.104 -0.476 18976 6035 1 7 . 1 1 148 148 MET CA C 148 55.489 55.489 57.364 -1.875 18976 6036 1 7 . 1 1 148 148 MET CB C 148 31.773 31.773 32.284 -0.511 18976 6037 1 7 . 1 1 148 148 MET H H 148 8.003 8.003 7.554 0.449 18976 6038 1 7 . 1 1 149 149 THR N N 149 110.062 110.062 113.712 -3.650 18976 6039 1 7 . 1 1 149 149 THR HA H 149 4.349 4.349 4.157 0.192 18976 6040 1 7 . 1 1 149 149 THR C C 149 174.149 174.149 174.559 -0.410 18976 6041 1 7 . 1 1 149 149 THR CA C 149 61.775 61.775 64.357 -2.582 18976 6042 1 7 . 1 1 149 149 THR CB C 149 69.780 69.780 69.604 0.176 18976 6043 1 7 . 1 1 149 149 THR H H 149 7.682 7.682 7.717 -0.035 18976 6044 1 7 . 1 1 150 150 ALA N N 150 126.503 126.503 121.078 5.425 18976 6045 1 7 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.469 -0.139 18976 6046 1 7 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.060 0.475 18976 6047 1 7 . 1 1 150 150 ALA CB C 150 18.734 18.734 20.459 -1.726 18976 6048 1 7 . 1 1 150 150 ALA H H 150 7.651 7.651 7.776 -0.125 18976 6049 1 8 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.620 -0.199 18976 6050 1 8 . 1 1 2 2 LEU C C 2 177.129 177.129 176.138 0.991 18976 6051 1 8 . 1 1 2 2 LEU CA C 2 55.122 55.122 54.477 0.645 18976 6052 1 8 . 1 1 2 2 LEU CB C 2 42.453 42.453 42.483 -0.030 18976 6053 1 8 . 1 1 2 2 LEU H H 2 8.641 8.641 8.433 0.208 18976 6054 1 8 . 1 1 3 3 MET N N 3 120.143 120.143 118.156 1.987 18976 6055 1 8 . 1 1 3 3 MET HA H 3 4.451 4.451 4.667 -0.216 18976 6056 1 8 . 1 1 3 3 MET C C 3 176.835 176.835 176.031 0.804 18976 6057 1 8 . 1 1 3 3 MET CA C 3 55.160 55.160 56.594 -1.434 18976 6058 1 8 . 1 1 3 3 MET CB C 3 32.584 32.584 33.452 -0.868 18976 6059 1 8 . 1 1 3 3 MET H H 3 8.396 8.396 8.181 0.215 18976 6060 1 8 . 1 1 4 4 ALA N N 4 123.344 123.344 121.811 1.533 18976 6061 1 8 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.199 -0.139 18976 6062 1 8 . 1 1 4 4 ALA C C 4 177.922 177.922 177.737 0.185 18976 6063 1 8 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.721 -0.171 18976 6064 1 8 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.317 0.239 18976 6065 1 8 . 1 1 4 4 ALA H H 4 8.396 8.396 8.302 0.094 18976 6066 1 8 . 1 1 5 5 ASP N N 5 116.052 116.052 117.181 -1.129 18976 6067 1 8 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.519 -0.010 18976 6068 1 8 . 1 1 5 5 ASP C C 5 176.366 176.366 177.469 -1.103 18976 6069 1 8 . 1 1 5 5 ASP CA C 5 54.623 54.623 56.169 -1.546 18976 6070 1 8 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.562 -0.299 18976 6071 1 8 . 1 1 5 5 ASP H H 5 8.114 8.114 8.587 -0.473 18976 6072 1 8 . 1 1 6 6 GLN N N 6 117.717 117.717 118.313 -0.596 18976 6073 1 8 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.258 0.119 18976 6074 1 8 . 1 1 6 6 GLN C C 6 175.842 175.842 175.877 -0.035 18976 6075 1 8 . 1 1 6 6 GLN CA C 6 55.311 55.311 57.059 -1.748 18976 6076 1 8 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.578 0.013 18976 6077 1 8 . 1 1 6 6 GLN H H 6 7.935 7.935 7.737 0.198 18976 6078 1 8 . 1 1 7 7 LEU N N 7 121.086 121.086 114.712 6.374 18976 6079 1 8 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.944 -0.268 18976 6080 1 8 . 1 1 7 7 LEU C C 7 177.496 177.496 175.402 2.094 18976 6081 1 8 . 1 1 7 7 LEU CA C 7 54.065 54.065 52.876 1.189 18976 6082 1 8 . 1 1 7 7 LEU CB C 7 43.268 43.268 44.771 -1.503 18976 6083 1 8 . 1 1 7 7 LEU H H 7 7.713 7.713 7.538 0.175 18976 6084 1 8 . 1 1 8 8 THR N N 8 112.688 112.688 108.399 4.289 18976 6085 1 8 . 1 1 8 8 THR HA H 8 4.475 4.475 4.692 -0.217 18976 6086 1 8 . 1 1 8 8 THR C C 8 175.511 175.511 175.768 -0.257 18976 6087 1 8 . 1 1 8 8 THR CA C 8 60.256 60.256 59.947 0.309 18976 6088 1 8 . 1 1 8 8 THR CB C 8 71.019 71.019 71.146 -0.127 18976 6089 1 8 . 1 1 8 8 THR H H 8 8.800 8.800 8.124 0.676 18976 6090 1 8 . 1 1 9 9 GLU N N 9 120.380 120.380 119.754 0.626 18976 6091 1 8 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.088 -0.108 18976 6092 1 8 . 1 1 9 9 GLU C C 9 179.492 179.492 178.681 0.811 18976 6093 1 8 . 1 1 9 9 GLU CA C 9 59.926 59.926 60.110 -0.184 18976 6094 1 8 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.505 -0.580 18976 6095 1 8 . 1 1 9 9 GLU H H 9 9.040 9.040 9.015 0.025 18976 6096 1 8 . 1 1 10 10 GLU N N 10 119.361 119.361 118.587 0.774 18976 6097 1 8 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.093 -0.019 18976 6098 1 8 . 1 1 10 10 GLU C C 10 179.185 179.185 178.961 0.224 18976 6099 1 8 . 1 1 10 10 GLU CA C 10 59.767 59.767 58.943 0.824 18976 6100 1 8 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.933 -0.137 18976 6101 1 8 . 1 1 10 10 GLU H H 10 8.729 8.729 8.547 0.182 18976 6102 1 8 . 1 1 11 11 GLN N N 11 120.302 120.302 119.484 0.818 18976 6103 1 8 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.355 -0.487 18976 6104 1 8 . 1 1 11 11 GLN C C 11 178.318 178.318 178.900 -0.582 18976 6105 1 8 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.180 0.204 18976 6106 1 8 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.592 -0.707 18976 6107 1 8 . 1 1 11 11 GLN H H 11 7.747 7.747 7.604 0.143 18976 6108 1 8 . 1 1 12 12 ILE N N 12 119.533 119.533 120.890 -1.357 18976 6109 1 8 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.946 -0.228 18976 6110 1 8 . 1 1 12 12 ILE C C 12 177.731 177.731 177.887 -0.156 18976 6111 1 8 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.174 0.785 18976 6112 1 8 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.744 -0.233 18976 6113 1 8 . 1 1 12 12 ILE H H 12 8.456 8.456 8.484 -0.028 18976 6114 1 8 . 1 1 13 13 ALA N N 13 121.161 121.161 122.858 -1.697 18976 6115 1 8 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.969 0.170 18976 6116 1 8 . 1 1 13 13 ALA C C 13 181.019 181.019 179.648 1.371 18976 6117 1 8 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.537 -0.414 18976 6118 1 8 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.106 -0.602 18976 6119 1 8 . 1 1 13 13 ALA H H 13 8.018 8.018 8.143 -0.125 18976 6120 1 8 . 1 1 14 14 GLU N N 14 119.619 119.619 118.726 0.893 18976 6121 1 8 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.048 0.116 18976 6122 1 8 . 1 1 14 14 GLU C C 14 180.534 180.534 179.454 1.080 18976 6123 1 8 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.836 0.288 18976 6124 1 8 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.451 -0.598 18976 6125 1 8 . 1 1 14 14 GLU H H 14 7.792 7.792 7.804 -0.012 18976 6126 1 8 . 1 1 15 15 PHE N N 15 120.089 120.089 119.407 0.682 18976 6127 1 8 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.593 0.471 18976 6128 1 8 . 1 1 15 15 PHE C C 15 178.700 178.700 177.864 0.836 18976 6129 1 8 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.551 -2.694 18976 6130 1 8 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.286 -1.810 18976 6131 1 8 . 1 1 15 15 PHE H H 15 8.587 8.587 8.262 0.325 18976 6132 1 8 . 1 1 16 16 LYS N N 16 123.715 123.715 121.046 2.669 18976 6133 1 8 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.017 0.028 18976 6134 1 8 . 1 1 16 16 LYS C C 16 179.327 179.327 178.842 0.485 18976 6135 1 8 . 1 1 16 16 LYS CA C 16 59.870 59.870 60.035 -0.165 18976 6136 1 8 . 1 1 16 16 LYS CB C 16 31.573 31.573 32.117 -0.544 18976 6137 1 8 . 1 1 16 16 LYS H H 16 9.256 9.256 8.628 0.628 18976 6138 1 8 . 1 1 17 17 GLU N N 17 120.262 120.262 118.869 1.393 18976 6139 1 8 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.157 -0.001 18976 6140 1 8 . 1 1 17 17 GLU C C 17 179.456 179.456 178.996 0.460 18976 6141 1 8 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.905 0.102 18976 6142 1 8 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.106 -0.297 18976 6143 1 8 . 1 1 17 17 GLU H H 17 7.774 7.774 8.106 -0.332 18976 6144 1 8 . 1 1 18 18 ALA N N 18 122.590 122.590 122.474 0.116 18976 6145 1 8 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.289 0.026 18976 6146 1 8 . 1 1 18 18 ALA C C 18 179.060 179.060 179.969 -0.909 18976 6147 1 8 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.017 -0.188 18976 6148 1 8 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.557 -0.759 18976 6149 1 8 . 1 1 18 18 ALA H H 18 8.001 8.001 8.067 -0.066 18976 6150 1 8 . 1 1 19 19 PHE N N 19 119.363 119.363 119.451 -0.088 18976 6151 1 8 . 1 1 19 19 PHE HA H 19 3.234 3.234 4.123 -0.889 18976 6152 1 8 . 1 1 19 19 PHE C C 19 177.290 177.290 177.290 0.000 18976 6153 1 8 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.251 1.506 18976 6154 1 8 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.081 0.057 18976 6155 1 8 . 1 1 19 19 PHE H H 19 8.859 8.859 8.278 0.581 18976 6156 1 8 . 1 1 20 20 SER N N 20 112.556 112.556 115.412 -2.856 18976 6157 1 8 . 1 1 20 20 SER HA H 20 4.142 4.142 4.266 -0.124 18976 6158 1 8 . 1 1 20 20 SER C C 20 174.955 174.955 176.152 -1.197 18976 6159 1 8 . 1 1 20 20 SER CA C 20 61.007 61.007 61.741 -0.734 18976 6160 1 8 . 1 1 20 20 SER CB C 20 62.960 62.960 63.327 -0.367 18976 6161 1 8 . 1 1 20 20 SER H H 20 7.934 7.934 8.174 -0.240 18976 6162 1 8 . 1 1 21 21 LEU N N 21 120.816 120.816 121.364 -0.548 18976 6163 1 8 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.139 -0.123 18976 6164 1 8 . 1 1 21 21 LEU C C 21 178.010 178.010 178.349 -0.339 18976 6165 1 8 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.246 -0.451 18976 6166 1 8 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.197 -1.065 18976 6167 1 8 . 1 1 21 21 LEU H H 21 7.434 7.434 7.685 -0.251 18976 6168 1 8 . 1 1 22 22 PHE N N 22 115.049 115.049 117.401 -2.352 18976 6169 1 8 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.255 -0.011 18976 6170 1 8 . 1 1 22 22 PHE C C 22 176.762 176.762 176.352 0.410 18976 6171 1 8 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.395 -1.375 18976 6172 1 8 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.859 0.870 18976 6173 1 8 . 1 1 22 22 PHE H H 22 7.326 7.326 7.726 -0.400 18976 6174 1 8 . 1 1 23 23 ASP N N 23 117.496 117.496 118.670 -1.174 18976 6175 1 8 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.904 -0.353 18976 6176 1 8 . 1 1 23 23 ASP C C 23 177.167 177.167 176.119 1.048 18976 6177 1 8 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.044 -1.004 18976 6178 1 8 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.958 -1.360 18976 6179 1 8 . 1 1 23 23 ASP H H 23 7.851 7.851 7.979 -0.128 18976 6180 1 8 . 1 1 24 24 LYS N N 24 124.470 124.470 124.531 -0.061 18976 6181 1 8 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.980 0.004 18976 6182 1 8 . 1 1 24 24 LYS C C 24 178.127 178.127 177.962 0.165 18976 6183 1 8 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.416 -0.258 18976 6184 1 8 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.247 0.136 18976 6185 1 8 . 1 1 24 24 LYS H H 24 7.687 7.687 7.767 -0.080 18976 6186 1 8 . 1 1 25 25 ASP N N 25 113.822 113.822 116.479 -2.657 18976 6187 1 8 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.461 0.145 18976 6188 1 8 . 1 1 25 25 ASP C C 25 177.687 177.687 177.471 0.216 18976 6189 1 8 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.977 -1.518 18976 6190 1 8 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.813 -0.622 18976 6191 1 8 . 1 1 25 25 ASP H H 25 8.067 8.067 7.848 0.219 18976 6192 1 8 . 1 1 26 26 GLY N N 26 109.208 109.208 108.933 0.275 18976 6193 1 8 . 1 1 26 26 GLY C C 26 175.132 175.132 175.218 -0.086 18976 6194 1 8 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.119 0.755 18976 6195 1 8 . 1 1 26 26 GLY H H 26 7.698 7.698 7.561 0.137 18976 6196 1 8 . 1 1 27 27 ASP N N 27 120.603 120.603 119.967 0.636 18976 6197 1 8 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.636 -0.113 18976 6198 1 8 . 1 1 27 27 ASP C C 27 177.452 177.452 177.791 -0.339 18976 6199 1 8 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.421 0.072 18976 6200 1 8 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.280 -1.032 18976 6201 1 8 . 1 1 27 27 ASP H H 27 8.397 8.397 8.471 -0.074 18976 6202 1 8 . 1 1 28 28 GLY N N 28 113.187 113.187 109.434 3.753 18976 6203 1 8 . 1 1 28 28 GLY C C 28 173.679 173.679 173.705 -0.026 18976 6204 1 8 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.328 -0.147 18976 6205 1 8 . 1 1 28 28 GLY H H 28 10.648 10.648 8.538 2.110 18976 6206 1 8 . 1 1 29 29 THR N N 29 112.865 112.865 110.348 2.517 18976 6207 1 8 . 1 1 29 29 THR HA H 29 5.310 5.310 5.241 0.069 18976 6208 1 8 . 1 1 29 29 THR C C 29 172.872 172.872 173.482 -0.610 18976 6209 1 8 . 1 1 29 29 THR CA C 29 59.764 59.764 60.476 -0.712 18976 6210 1 8 . 1 1 29 29 THR CB C 29 72.319 72.319 71.996 0.323 18976 6211 1 8 . 1 1 29 29 THR H H 29 8.144 8.144 8.569 -0.425 18976 6212 1 8 . 1 1 30 30 ILE N N 30 127.035 127.035 126.637 0.398 18976 6213 1 8 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.662 0.318 18976 6214 1 8 . 1 1 30 30 ILE C C 30 176.072 176.072 176.500 -0.428 18976 6215 1 8 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.347 -0.203 18976 6216 1 8 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.842 1.460 18976 6217 1 8 . 1 1 30 30 ILE H H 30 9.821 9.821 8.836 0.985 18976 6218 1 8 . 1 1 31 31 THR N N 31 116.509 116.509 118.251 -1.742 18976 6219 1 8 . 1 1 31 31 THR HA H 31 4.800 4.800 4.653 0.147 18976 6220 1 8 . 1 1 31 31 THR C C 31 176.542 176.542 176.529 0.013 18976 6221 1 8 . 1 1 31 31 THR CA C 31 59.396 59.396 60.673 -1.277 18976 6222 1 8 . 1 1 31 31 THR CB C 31 72.162 72.162 70.469 1.693 18976 6223 1 8 . 1 1 31 31 THR H H 31 8.469 8.469 8.754 -0.285 18976 6224 1 8 . 1 1 32 32 THR N N 32 112.790 112.790 113.519 -0.729 18976 6225 1 8 . 1 1 32 32 THR HA H 32 3.803 3.803 3.919 -0.116 18976 6226 1 8 . 1 1 32 32 THR C C 32 177.188 177.188 176.392 0.796 18976 6227 1 8 . 1 1 32 32 THR CA C 32 66.253 66.253 66.445 -0.192 18976 6228 1 8 . 1 1 32 32 THR CB C 32 67.459 67.459 68.542 -1.083 18976 6229 1 8 . 1 1 32 32 THR H H 32 9.128 9.128 9.011 0.117 18976 6230 1 8 . 1 1 33 33 LYS N N 33 120.844 120.844 122.683 -1.839 18976 6231 1 8 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.038 0.110 18976 6232 1 8 . 1 1 33 33 LYS C C 33 179.880 179.880 178.236 1.644 18976 6233 1 8 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.431 -0.492 18976 6234 1 8 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.214 0.021 18976 6235 1 8 . 1 1 33 33 LYS H H 33 7.695 7.695 8.094 -0.399 18976 6236 1 8 . 1 1 34 34 GLU N N 34 121.463 121.463 119.236 2.227 18976 6237 1 8 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.082 -0.014 18976 6238 1 8 . 1 1 34 34 GLU C C 34 179.140 179.140 179.290 -0.150 18976 6239 1 8 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.137 0.002 18976 6240 1 8 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.714 -0.169 18976 6241 1 8 . 1 1 34 34 GLU H H 34 7.687 7.687 7.487 0.200 18976 6242 1 8 . 1 1 35 35 LEU N N 35 120.583 120.583 120.851 -0.268 18976 6243 1 8 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.172 -0.049 18976 6244 1 8 . 1 1 35 35 LEU C C 35 178.934 178.934 178.970 -0.036 18976 6245 1 8 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.249 -0.422 18976 6246 1 8 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.769 0.611 18976 6247 1 8 . 1 1 35 35 LEU H H 35 8.745 8.745 8.617 0.128 18976 6248 1 8 . 1 1 36 36 GLY N N 36 128.127 128.127 104.888 23.239 18976 6249 1 8 . 1 1 36 36 GLY C C 36 175.177 175.177 176.135 -0.958 18976 6250 1 8 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.314 0.689 18976 6251 1 8 . 1 1 36 36 GLY H H 36 8.670 8.670 8.214 0.456 18976 6252 1 8 . 1 1 37 37 THR N N 37 117.925 117.925 119.221 -1.296 18976 6253 1 8 . 1 1 37 37 THR HA H 37 3.938 3.938 4.017 -0.079 18976 6254 1 8 . 1 1 37 37 THR C C 37 177.137 177.137 176.671 0.466 18976 6255 1 8 . 1 1 37 37 THR CA C 37 66.648 66.648 66.545 0.103 18976 6256 1 8 . 1 1 37 37 THR CB C 37 68.383 68.383 68.837 -0.454 18976 6257 1 8 . 1 1 37 37 THR H H 37 7.930 7.930 7.735 0.195 18976 6258 1 8 . 1 1 38 38 VAL N N 38 122.046 122.046 121.892 0.154 18976 6259 1 8 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.514 0.009 18976 6260 1 8 . 1 1 38 38 VAL C C 38 179.243 179.243 177.997 1.246 18976 6261 1 8 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.106 -0.144 18976 6262 1 8 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.600 0.470 18976 6263 1 8 . 1 1 38 38 VAL H H 38 7.643 7.643 7.833 -0.190 18976 6264 1 8 . 1 1 39 39 MET N N 39 118.442 118.442 117.378 1.064 18976 6265 1 8 . 1 1 39 39 MET HA H 39 4.133 4.133 4.054 0.079 18976 6266 1 8 . 1 1 39 39 MET C C 39 179.125 179.125 178.495 0.630 18976 6267 1 8 . 1 1 39 39 MET CA C 39 58.886 58.886 58.059 0.827 18976 6268 1 8 . 1 1 39 39 MET CB C 39 31.211 31.211 31.027 0.184 18976 6269 1 8 . 1 1 39 39 MET H H 39 8.497 8.497 8.413 0.084 18976 6270 1 8 . 1 1 40 40 ARG N N 40 118.929 118.929 119.471 -0.542 18976 6271 1 8 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.263 0.570 18976 6272 1 8 . 1 1 40 40 ARG C C 40 181.224 181.224 179.545 1.679 18976 6273 1 8 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.248 -0.361 18976 6274 1 8 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.975 -1.140 18976 6275 1 8 . 1 1 40 40 ARG H H 40 8.536 8.536 7.801 0.735 18976 6276 1 8 . 1 1 41 41 SER N N 41 118.832 118.832 114.874 3.958 18976 6277 1 8 . 1 1 41 41 SER HA H 41 4.425 4.425 4.282 0.143 18976 6278 1 8 . 1 1 41 41 SER C C 41 174.839 174.839 176.058 -1.219 18976 6279 1 8 . 1 1 41 41 SER CA C 41 61.249 61.249 60.490 0.759 18976 6280 1 8 . 1 1 41 41 SER CB C 41 62.464 62.464 63.068 -0.604 18976 6281 1 8 . 1 1 41 41 SER H H 41 7.925 7.925 7.767 0.158 18976 6282 1 8 . 1 1 42 42 LEU N N 42 120.676 120.676 120.844 -0.168 18976 6283 1 8 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.310 0.207 18976 6284 1 8 . 1 1 42 42 LEU C C 42 177.540 177.540 177.230 0.310 18976 6285 1 8 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.874 -0.642 18976 6286 1 8 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.619 0.051 18976 6287 1 8 . 1 1 42 42 LEU H H 42 7.395 7.395 7.608 -0.213 18976 6288 1 8 . 1 1 43 43 GLY N N 43 106.840 106.840 107.108 -0.268 18976 6289 1 8 . 1 1 43 43 GLY C C 43 174.384 174.384 174.763 -0.379 18976 6290 1 8 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.762 0.546 18976 6291 1 8 . 1 1 43 43 GLY H H 43 7.885 7.885 7.646 0.239 18976 6292 1 8 . 1 1 44 44 GLN N N 44 118.414 118.414 120.874 -2.460 18976 6293 1 8 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.329 0.173 18976 6294 1 8 . 1 1 44 44 GLN C C 44 174.134 174.134 174.903 -0.769 18976 6295 1 8 . 1 1 44 44 GLN CA C 44 54.184 54.184 55.471 -1.286 18976 6296 1 8 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.781 0.493 18976 6297 1 8 . 1 1 44 44 GLN H H 44 7.805 7.805 7.831 -0.026 18976 6298 1 8 . 1 1 45 45 ASN N N 45 116.265 116.265 117.436 -1.171 18976 6299 1 8 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.011 0.190 18976 6300 1 8 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.918 0.039 18976 6301 1 8 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.798 0.111 18976 6302 1 8 . 1 1 45 45 ASN H H 45 8.733 8.733 8.512 0.221 18976 6303 1 8 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.914 -0.127 18976 6304 1 8 . 1 1 46 46 PRO C C 46 177.745 177.745 176.320 1.425 18976 6305 1 8 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.205 -0.100 18976 6306 1 8 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.094 -1.391 18976 6307 1 8 . 1 1 47 47 THR N N 47 112.958 112.958 114.245 -1.287 18976 6308 1 8 . 1 1 47 47 THR HA H 47 4.451 4.451 4.600 -0.149 18976 6309 1 8 . 1 1 47 47 THR C C 47 175.159 175.159 175.908 -0.749 18976 6310 1 8 . 1 1 47 47 THR CA C 47 60.078 60.078 59.397 0.681 18976 6311 1 8 . 1 1 47 47 THR CB C 47 71.001 71.001 71.541 -0.540 18976 6312 1 8 . 1 1 47 47 THR H H 47 8.767 8.767 8.414 0.353 18976 6313 1 8 . 1 1 48 48 GLU N N 48 120.607 120.607 127.578 -6.971 18976 6314 1 8 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.957 0.049 18976 6315 1 8 . 1 1 48 48 GLU C C 48 178.949 178.949 177.348 1.601 18976 6316 1 8 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.091 0.650 18976 6317 1 8 . 1 1 48 48 GLU CB C 48 28.692 28.692 28.875 -0.183 18976 6318 1 8 . 1 1 48 48 GLU H H 48 8.824 8.824 9.009 -0.185 18976 6319 1 8 . 1 1 49 49 ALA N N 49 120.678 120.678 122.622 -1.944 18976 6320 1 8 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.030 0.089 18976 6321 1 8 . 1 1 49 49 ALA C C 49 180.226 180.226 179.766 0.460 18976 6322 1 8 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.855 -0.139 18976 6323 1 8 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.196 -0.323 18976 6324 1 8 . 1 1 49 49 ALA H H 49 8.279 8.279 7.820 0.459 18976 6325 1 8 . 1 1 50 50 GLU N N 50 118.703 118.703 118.425 0.278 18976 6326 1 8 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.275 -0.223 18976 6327 1 8 . 1 1 50 50 GLU C C 50 180.182 180.182 179.224 0.958 18976 6328 1 8 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.777 0.080 18976 6329 1 8 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.593 -0.225 18976 6330 1 8 . 1 1 50 50 GLU H H 50 7.712 7.712 7.859 -0.147 18976 6331 1 8 . 1 1 51 51 LEU N N 51 120.420 120.420 118.619 1.801 18976 6332 1 8 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.209 -0.115 18976 6333 1 8 . 1 1 51 51 LEU C C 51 178.494 178.494 179.379 -0.885 18976 6334 1 8 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.472 1.206 18976 6335 1 8 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.599 1.457 18976 6336 1 8 . 1 1 51 51 LEU H H 51 8.192 8.192 7.437 0.755 18976 6337 1 8 . 1 1 52 52 GLN N N 52 118.200 118.200 119.523 -1.323 18976 6338 1 8 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.996 -0.158 18976 6339 1 8 . 1 1 52 52 GLN C C 52 178.518 178.518 177.767 0.751 18976 6340 1 8 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.904 -0.707 18976 6341 1 8 . 1 1 52 52 GLN CB C 52 27.904 27.904 27.997 -0.093 18976 6342 1 8 . 1 1 52 52 GLN H H 52 8.212 8.212 7.944 0.268 18976 6343 1 8 . 1 1 53 53 ASP N N 53 119.922 119.922 119.494 0.428 18976 6344 1 8 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.444 -0.014 18976 6345 1 8 . 1 1 53 53 ASP C C 53 178.635 178.635 178.562 0.073 18976 6346 1 8 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.269 -0.007 18976 6347 1 8 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.498 -0.536 18976 6348 1 8 . 1 1 53 53 ASP H H 53 8.108 8.108 7.592 0.516 18976 6349 1 8 . 1 1 54 54 MET N N 54 119.290 119.290 117.625 1.665 18976 6350 1 8 . 1 1 54 54 MET HA H 54 4.044 4.044 4.213 -0.169 18976 6351 1 8 . 1 1 54 54 MET C C 54 178.876 178.876 178.372 0.504 18976 6352 1 8 . 1 1 54 54 MET CA C 54 59.108 59.108 58.852 0.256 18976 6353 1 8 . 1 1 54 54 MET CB C 54 32.930 32.930 32.699 0.231 18976 6354 1 8 . 1 1 54 54 MET H H 54 7.865 7.865 7.386 0.479 18976 6355 1 8 . 1 1 55 55 ILE N N 55 118.056 118.056 119.205 -1.149 18976 6356 1 8 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.744 -0.229 18976 6357 1 8 . 1 1 55 55 ILE C C 55 177.760 177.760 177.479 0.281 18976 6358 1 8 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.417 0.063 18976 6359 1 8 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.200 -1.220 18976 6360 1 8 . 1 1 55 55 ILE H H 55 7.710 7.710 7.178 0.532 18976 6361 1 8 . 1 1 56 56 ASN N N 56 117.688 117.688 118.633 -0.945 18976 6362 1 8 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.407 -0.015 18976 6363 1 8 . 1 1 56 56 ASN C C 56 177.393 177.393 177.445 -0.052 18976 6364 1 8 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.903 -0.317 18976 6365 1 8 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.997 -0.342 18976 6366 1 8 . 1 1 56 56 ASN H H 56 8.606 8.606 8.255 0.351 18976 6367 1 8 . 1 1 57 57 GLU N N 57 116.316 116.316 118.297 -1.981 18976 6368 1 8 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.155 -0.112 18976 6369 1 8 . 1 1 57 57 GLU C C 57 177.569 177.569 177.917 -0.348 18976 6370 1 8 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.676 -0.044 18976 6371 1 8 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.750 0.349 18976 6372 1 8 . 1 1 57 57 GLU H H 57 7.580 7.580 7.818 -0.238 18976 6373 1 8 . 1 1 58 58 VAL N N 58 108.390 108.390 114.121 -5.731 18976 6374 1 8 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.189 0.293 18976 6375 1 8 . 1 1 58 58 VAL C C 58 175.749 175.749 175.827 -0.078 18976 6376 1 8 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.297 -1.879 18976 6377 1 8 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.507 -0.141 18976 6378 1 8 . 1 1 58 58 VAL H H 58 7.219 7.219 7.434 -0.215 18976 6379 1 8 . 1 1 59 59 ASP N N 59 121.728 121.728 121.319 0.409 18976 6380 1 8 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.819 -0.177 18976 6381 1 8 . 1 1 59 59 ASP C C 59 176.219 176.219 175.946 0.273 18976 6382 1 8 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.151 -0.683 18976 6383 1 8 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.237 -1.372 18976 6384 1 8 . 1 1 59 59 ASP H H 59 7.674 7.674 7.869 -0.195 18976 6385 1 8 . 1 1 60 60 ALA N N 60 109.214 109.214 129.886 -20.672 18976 6386 1 8 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.105 0.111 18976 6387 1 8 . 1 1 60 60 ALA C C 60 178.626 178.626 178.563 0.063 18976 6388 1 8 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.258 -0.273 18976 6389 1 8 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.565 -0.419 18976 6390 1 8 . 1 1 60 60 ALA H H 60 8.481 8.481 8.302 0.179 18976 6391 1 8 . 1 1 61 61 ASP N N 61 113.667 113.667 117.831 -4.164 18976 6392 1 8 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.458 0.165 18976 6393 1 8 . 1 1 61 61 ASP C C 61 177.848 177.848 177.858 -0.010 18976 6394 1 8 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.332 -1.921 18976 6395 1 8 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.066 -1.515 18976 6396 1 8 . 1 1 61 61 ASP H H 61 8.158 8.158 8.019 0.139 18976 6397 1 8 . 1 1 62 62 GLY N N 62 108.314 108.314 109.328 -1.014 18976 6398 1 8 . 1 1 62 62 GLY C C 62 174.933 174.933 174.771 0.162 18976 6399 1 8 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.498 1.444 18976 6400 1 8 . 1 1 62 62 GLY H H 62 7.585 7.585 8.297 -0.712 18976 6401 1 8 . 1 1 63 63 ASN N N 63 118.384 118.384 118.894 -0.510 18976 6402 1 8 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.809 -0.152 18976 6403 1 8 . 1 1 63 63 ASN C C 63 176.835 176.835 176.374 0.461 18976 6404 1 8 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.086 0.137 18976 6405 1 8 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.530 -2.164 18976 6406 1 8 . 1 1 63 63 ASN H H 63 8.086 8.086 8.516 -0.430 18976 6407 1 8 . 1 1 64 64 GLY N N 64 113.412 113.412 110.351 3.061 18976 6408 1 8 . 1 1 64 64 GLY C C 64 173.254 173.254 173.487 -0.233 18976 6409 1 8 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.349 0.048 18976 6410 1 8 . 1 1 64 64 GLY H H 64 10.618 10.618 8.303 2.315 18976 6411 1 8 . 1 1 65 65 THR N N 65 108.877 108.877 113.689 -4.812 18976 6412 1 8 . 1 1 65 65 THR HA H 65 4.766 4.766 4.723 0.043 18976 6413 1 8 . 1 1 65 65 THR C C 65 173.195 173.195 173.262 -0.067 18976 6414 1 8 . 1 1 65 65 THR CA C 65 59.301 59.301 61.288 -1.987 18976 6415 1 8 . 1 1 65 65 THR CB C 65 71.695 71.695 72.385 -0.690 18976 6416 1 8 . 1 1 65 65 THR H H 65 7.684 7.684 8.108 -0.424 18976 6417 1 8 . 1 1 66 66 ILE N N 66 123.673 123.673 123.674 -0.001 18976 6418 1 8 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.369 0.821 18976 6419 1 8 . 1 1 66 66 ILE C C 66 175.529 175.529 175.035 0.494 18976 6420 1 8 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.049 -1.365 18976 6421 1 8 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.295 0.122 18976 6422 1 8 . 1 1 66 66 ILE H H 66 8.912 8.912 8.427 0.485 18976 6423 1 8 . 1 1 67 67 ASP N N 67 128.135 128.135 126.279 1.856 18976 6424 1 8 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.148 0.236 18976 6425 1 8 . 1 1 67 67 ASP C C 67 176.322 176.322 176.699 -0.377 18976 6426 1 8 . 1 1 67 67 ASP CA C 67 51.843 51.843 51.783 0.060 18976 6427 1 8 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.968 -2.181 18976 6428 1 8 . 1 1 67 67 ASP H H 67 8.824 8.824 8.493 0.331 18976 6429 1 8 . 1 1 68 68 PHE N N 68 118.627 118.627 123.910 -5.283 18976 6430 1 8 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.188 -0.164 18976 6431 1 8 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.671 0.499 18976 6432 1 8 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.027 -1.426 18976 6433 1 8 . 1 1 68 68 PHE H H 68 8.943 8.943 9.108 -0.165 18976 6434 1 8 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.989 -0.113 18976 6435 1 8 . 1 1 69 69 PRO C C 69 180.037 180.037 178.504 1.533 18976 6436 1 8 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.663 0.729 18976 6437 1 8 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.036 -0.662 18976 6438 1 8 . 1 1 70 70 GLU N N 70 117.615 117.615 117.836 -0.221 18976 6439 1 8 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.145 -0.037 18976 6440 1 8 . 1 1 70 70 GLU C C 70 178.773 178.773 178.941 -0.168 18976 6441 1 8 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.341 0.225 18976 6442 1 8 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.317 -0.291 18976 6443 1 8 . 1 1 70 70 GLU H H 70 7.969 7.969 7.830 0.139 18976 6444 1 8 . 1 1 71 71 PHE N N 71 123.460 123.460 122.286 1.174 18976 6445 1 8 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.198 -0.224 18976 6446 1 8 . 1 1 71 71 PHE C C 71 177.041 177.041 176.468 0.573 18976 6447 1 8 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.325 -0.298 18976 6448 1 8 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.631 0.076 18976 6449 1 8 . 1 1 71 71 PHE H H 71 8.861 8.861 8.333 0.528 18976 6450 1 8 . 1 1 72 72 LEU N N 72 118.749 118.749 119.002 -0.253 18976 6451 1 8 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.572 -0.204 18976 6452 1 8 . 1 1 72 72 LEU C C 72 178.949 178.949 177.733 1.216 18976 6453 1 8 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.242 0.354 18976 6454 1 8 . 1 1 72 72 LEU CB C 72 40.742 40.742 41.276 -0.534 18976 6455 1 8 . 1 1 72 72 LEU H H 72 8.411 8.411 7.991 0.420 18976 6456 1 8 . 1 1 73 73 THR N N 73 115.213 115.213 110.999 4.214 18976 6457 1 8 . 1 1 73 73 THR HA H 73 3.753 3.753 3.998 -0.245 18976 6458 1 8 . 1 1 73 73 THR C C 73 175.955 175.955 176.008 -0.053 18976 6459 1 8 . 1 1 73 73 THR CA C 73 66.313 66.313 64.414 1.899 18976 6460 1 8 . 1 1 73 73 THR CB C 73 68.075 68.075 69.186 -1.111 18976 6461 1 8 . 1 1 73 73 THR H H 73 7.522 7.522 7.277 0.245 18976 6462 1 8 . 1 1 74 74 MET N N 74 121.455 121.455 122.821 -1.366 18976 6463 1 8 . 1 1 74 74 MET HA H 74 3.773 3.773 4.070 -0.297 18976 6464 1 8 . 1 1 74 74 MET C C 74 178.098 178.098 178.391 -0.293 18976 6465 1 8 . 1 1 74 74 MET CA C 74 58.603 58.603 58.084 0.519 18976 6466 1 8 . 1 1 74 74 MET CB C 74 32.905 32.905 31.978 0.927 18976 6467 1 8 . 1 1 74 74 MET H H 74 7.783 7.783 7.583 0.200 18976 6468 1 8 . 1 1 75 75 MET N N 75 116.557 116.557 116.540 0.017 18976 6469 1 8 . 1 1 75 75 MET HA H 75 3.998 3.998 3.919 0.079 18976 6470 1 8 . 1 1 75 75 MET C C 75 178.700 178.700 177.651 1.049 18976 6471 1 8 . 1 1 75 75 MET CA C 75 55.472 55.472 56.384 -0.912 18976 6472 1 8 . 1 1 75 75 MET CB C 75 30.693 30.693 30.856 -0.163 18976 6473 1 8 . 1 1 75 75 MET H H 75 8.077 8.077 8.165 -0.088 18976 6474 1 8 . 1 1 76 76 ALA N N 76 122.410 122.410 120.796 1.614 18976 6475 1 8 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.929 0.160 18976 6476 1 8 . 1 1 76 76 ALA C C 76 179.683 179.683 179.279 0.404 18976 6477 1 8 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.984 -0.608 18976 6478 1 8 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.955 -0.176 18976 6479 1 8 . 1 1 76 76 ALA H H 76 8.303 8.303 7.765 0.538 18976 6480 1 8 . 1 1 77 77 ARG N N 77 116.451 116.451 117.192 -0.741 18976 6481 1 8 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.058 0.044 18976 6482 1 8 . 1 1 77 77 ARG C C 77 177.701 177.701 178.301 -0.600 18976 6483 1 8 . 1 1 77 77 ARG CA C 77 58.042 58.042 59.060 -1.018 18976 6484 1 8 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.152 -0.144 18976 6485 1 8 . 1 1 77 77 ARG H H 77 7.622 7.622 7.639 -0.017 18976 6486 1 8 . 1 1 78 78 LYS N N 78 118.021 118.021 118.727 -0.706 18976 6487 1 8 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.104 0.135 18976 6488 1 8 . 1 1 78 78 LYS C C 78 177.525 177.525 178.543 -1.018 18976 6489 1 8 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.735 -2.014 18976 6490 1 8 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.380 -0.167 18976 6491 1 8 . 1 1 78 78 LYS H H 78 7.577 7.577 7.534 0.043 18976 6492 1 8 . 1 1 79 79 MET N N 79 118.929 118.929 120.195 -1.266 18976 6493 1 8 . 1 1 79 79 MET HA H 79 4.351 4.351 4.265 0.086 18976 6494 1 8 . 1 1 79 79 MET C C 79 176.322 176.322 177.378 -1.056 18976 6495 1 8 . 1 1 79 79 MET CA C 79 56.345 56.345 58.712 -2.367 18976 6496 1 8 . 1 1 79 79 MET CB C 79 32.946 32.946 32.796 0.150 18976 6497 1 8 . 1 1 79 79 MET H H 79 7.772 7.772 7.565 0.207 18976 6498 1 8 . 1 1 80 80 LYS N N 80 120.686 120.686 118.274 2.412 18976 6499 1 8 . 1 1 80 80 LYS HA H 80 4.327 4.327 3.934 0.393 18976 6500 1 8 . 1 1 80 80 LYS C C 80 176.395 176.395 178.846 -2.451 18976 6501 1 8 . 1 1 80 80 LYS CA C 80 56.144 56.144 59.297 -3.153 18976 6502 1 8 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.870 0.938 18976 6503 1 8 . 1 1 80 80 LYS H H 80 7.955 7.955 7.970 -0.015 18976 6504 1 8 . 1 1 81 81 ASP N N 81 121.721 121.721 117.413 4.308 18976 6505 1 8 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.399 0.290 18976 6506 1 8 . 1 1 81 81 ASP C C 81 176.644 176.644 177.782 -1.138 18976 6507 1 8 . 1 1 81 81 ASP CA C 81 54.286 54.286 56.839 -2.553 18976 6508 1 8 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.898 -0.105 18976 6509 1 8 . 1 1 81 81 ASP H H 81 8.341 8.341 7.942 0.399 18976 6510 1 8 . 1 1 82 82 THR N N 82 114.594 114.594 113.341 1.253 18976 6511 1 8 . 1 1 82 82 THR HA H 82 4.323 4.323 4.367 -0.044 18976 6512 1 8 . 1 1 82 82 THR C C 82 174.584 174.584 176.139 -1.555 18976 6513 1 8 . 1 1 82 82 THR CA C 82 61.955 61.955 64.913 -2.958 18976 6514 1 8 . 1 1 82 82 THR CB C 82 69.586 69.586 69.219 0.367 18976 6515 1 8 . 1 1 82 82 THR H H 82 8.123 8.123 7.654 0.469 18976 6516 1 8 . 1 1 83 83 ASP N N 83 123.126 123.126 123.185 -0.059 18976 6517 1 8 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.486 0.213 18976 6518 1 8 . 1 1 83 83 ASP C C 83 176.674 176.674 177.549 -0.875 18976 6519 1 8 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.392 -1.901 18976 6520 1 8 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.586 0.454 18976 6521 1 8 . 1 1 83 83 ASP H H 83 8.439 8.439 8.266 0.173 18976 6522 1 8 . 1 1 84 84 SER N N 84 116.982 116.982 115.526 1.456 18976 6523 1 8 . 1 1 84 84 SER HA H 84 4.458 4.458 4.080 0.378 18976 6524 1 8 . 1 1 84 84 SER C C 84 175.393 175.393 176.191 -0.798 18976 6525 1 8 . 1 1 84 84 SER CA C 84 58.943 58.943 61.217 -2.274 18976 6526 1 8 . 1 1 84 84 SER CB C 84 63.550 63.550 63.030 0.520 18976 6527 1 8 . 1 1 84 84 SER H H 84 8.418 8.418 7.855 0.563 18976 6528 1 8 . 1 1 85 85 GLU N N 85 122.632 122.632 120.244 2.388 18976 6529 1 8 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.128 0.083 18976 6530 1 8 . 1 1 85 85 GLU C C 85 177.716 177.716 178.558 -0.842 18976 6531 1 8 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.053 -0.514 18976 6532 1 8 . 1 1 85 85 GLU CB C 85 29.227 29.227 29.204 0.023 18976 6533 1 8 . 1 1 85 85 GLU H H 85 8.504 8.504 8.102 0.402 18976 6534 1 8 . 1 1 86 86 GLU N N 86 119.077 119.077 120.927 -1.850 18976 6535 1 8 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.079 -0.018 18976 6536 1 8 . 1 1 86 86 GLU C C 86 178.885 178.885 178.370 0.515 18976 6537 1 8 . 1 1 86 86 GLU CA C 86 59.365 59.365 59.031 0.334 18976 6538 1 8 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.350 -0.285 18976 6539 1 8 . 1 1 86 86 GLU H H 86 8.333 8.333 7.923 0.410 18976 6540 1 8 . 1 1 87 87 GLU N N 87 119.138 119.138 119.153 -0.015 18976 6541 1 8 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.151 -0.005 18976 6542 1 8 . 1 1 87 87 GLU C C 87 179.823 179.823 179.058 0.765 18976 6543 1 8 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.786 0.124 18976 6544 1 8 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.887 -0.621 18976 6545 1 8 . 1 1 87 87 GLU H H 87 8.130 8.130 7.811 0.319 18976 6546 1 8 . 1 1 88 88 LEU N N 88 122.103 122.103 120.716 1.387 18976 6547 1 8 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.230 0.161 18976 6548 1 8 . 1 1 88 88 LEU C C 88 178.905 178.905 178.485 0.420 18976 6549 1 8 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.554 0.161 18976 6550 1 8 . 1 1 88 88 LEU CB C 88 41.861 41.861 42.095 -0.234 18976 6551 1 8 . 1 1 88 88 LEU H H 88 8.152 8.152 7.761 0.391 18976 6552 1 8 . 1 1 89 89 ARG N N 89 120.092 120.092 119.119 0.973 18976 6553 1 8 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.199 -0.149 18976 6554 1 8 . 1 1 89 89 ARG C C 89 179.507 179.507 178.582 0.925 18976 6555 1 8 . 1 1 89 89 ARG CA C 89 59.411 59.411 58.875 0.536 18976 6556 1 8 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.083 0.377 18976 6557 1 8 . 1 1 89 89 ARG H H 89 8.499 8.499 8.368 0.131 18976 6558 1 8 . 1 1 90 90 GLU N N 90 119.315 119.315 119.383 -0.068 18976 6559 1 8 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.228 -0.061 18976 6560 1 8 . 1 1 90 90 GLU C C 90 178.068 178.068 177.739 0.329 18976 6561 1 8 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.391 0.199 18976 6562 1 8 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.411 -0.482 18976 6563 1 8 . 1 1 90 90 GLU H H 90 8.040 8.040 7.861 0.179 18976 6564 1 8 . 1 1 91 91 ALA N N 91 121.794 121.794 122.879 -1.085 18976 6565 1 8 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.177 0.034 18976 6566 1 8 . 1 1 91 91 ALA C C 91 179.855 179.855 179.552 0.303 18976 6567 1 8 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.876 -0.150 18976 6568 1 8 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.339 -0.769 18976 6569 1 8 . 1 1 91 91 ALA H H 91 7.996 7.996 7.547 0.449 18976 6570 1 8 . 1 1 92 92 PHE N N 92 119.368 119.368 119.459 -0.091 18976 6571 1 8 . 1 1 92 92 PHE HA H 92 3.130 3.130 4.068 -0.938 18976 6572 1 8 . 1 1 92 92 PHE C C 92 176.454 176.454 176.749 -0.295 18976 6573 1 8 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.239 0.993 18976 6574 1 8 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.174 -0.247 18976 6575 1 8 . 1 1 92 92 PHE H H 92 8.360 8.360 8.612 -0.252 18976 6576 1 8 . 1 1 93 93 ARG N N 93 117.178 117.178 119.844 -2.666 18976 6577 1 8 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.938 -0.073 18976 6578 1 8 . 1 1 93 93 ARG C C 93 178.421 178.421 178.379 0.042 18976 6579 1 8 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.278 0.563 18976 6580 1 8 . 1 1 93 93 ARG CB C 93 29.906 29.906 29.386 0.520 18976 6581 1 8 . 1 1 93 93 ARG H H 93 7.895 7.895 7.514 0.381 18976 6582 1 8 . 1 1 94 94 VAL N N 94 115.719 115.719 118.479 -2.760 18976 6583 1 8 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.713 -0.113 18976 6584 1 8 . 1 1 94 94 VAL C C 94 177.334 177.334 176.764 0.570 18976 6585 1 8 . 1 1 94 94 VAL CA C 94 65.032 65.032 64.931 0.101 18976 6586 1 8 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.833 -0.289 18976 6587 1 8 . 1 1 94 94 VAL H H 94 7.541 7.541 7.872 -0.331 18976 6588 1 8 . 1 1 95 95 GLU N N 95 117.921 117.921 118.013 -0.092 18976 6589 1 8 . 1 1 95 95 GLU HA H 95 4.008 4.008 3.984 0.024 18976 6590 1 8 . 1 1 95 95 GLU C C 95 176.953 176.953 176.580 0.373 18976 6591 1 8 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.670 -0.414 18976 6592 1 8 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.637 -0.950 18976 6593 1 8 . 1 1 95 95 GLU H H 95 7.011 7.011 7.293 -0.282 18976 6594 1 8 . 1 1 96 96 ASP N N 96 117.365 117.365 117.967 -0.602 18976 6595 1 8 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.716 -0.266 18976 6596 1 8 . 1 1 96 96 ASP C C 96 177.202 177.202 176.695 0.507 18976 6597 1 8 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.574 -2.101 18976 6598 1 8 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.077 -2.002 18976 6599 1 8 . 1 1 96 96 ASP H H 96 7.626 7.626 7.229 0.397 18976 6600 1 8 . 1 1 97 97 LYS N N 97 124.733 124.733 124.626 0.107 18976 6601 1 8 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.070 -0.169 18976 6602 1 8 . 1 1 97 97 LYS C C 97 178.333 178.333 178.053 0.280 18976 6603 1 8 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.842 0.763 18976 6604 1 8 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.576 -0.146 18976 6605 1 8 . 1 1 97 97 LYS H H 97 7.357 7.357 7.882 -0.525 18976 6606 1 8 . 1 1 98 98 ASP N N 98 114.048 114.048 115.664 -1.616 18976 6607 1 8 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.470 0.098 18976 6608 1 8 . 1 1 98 98 ASP C C 98 177.775 177.775 177.583 0.192 18976 6609 1 8 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.389 -1.732 18976 6610 1 8 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.449 -0.856 18976 6611 1 8 . 1 1 98 98 ASP H H 98 8.352 8.352 7.959 0.393 18976 6612 1 8 . 1 1 99 99 GLY N N 99 109.454 109.454 109.067 0.387 18976 6613 1 8 . 1 1 99 99 GLY C C 99 175.082 175.082 174.987 0.095 18976 6614 1 8 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.695 1.132 18976 6615 1 8 . 1 1 99 99 GLY H H 99 7.828 7.828 8.149 -0.321 18976 6616 1 8 . 1 1 100 100 ASN N N 100 119.607 119.607 118.104 1.503 18976 6617 1 8 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.710 -0.075 18976 6618 1 8 . 1 1 100 100 ASN C C 100 175.969 175.969 176.613 -0.644 18976 6619 1 8 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.424 -0.941 18976 6620 1 8 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.214 -1.333 18976 6621 1 8 . 1 1 100 100 ASN H H 100 8.334 8.334 8.439 -0.105 18976 6622 1 8 . 1 1 101 101 GLY N N 101 113.007 113.007 107.314 5.693 18976 6623 1 8 . 1 1 101 101 GLY C C 101 172.314 172.314 172.912 -0.598 18976 6624 1 8 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.032 -0.350 18976 6625 1 8 . 1 1 101 101 GLY H H 101 10.640 10.640 9.009 1.631 18976 6626 1 8 . 1 1 102 102 TYR N N 102 115.913 115.913 118.471 -2.558 18976 6627 1 8 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.037 0.149 18976 6628 1 8 . 1 1 102 102 TYR C C 102 174.736 174.736 174.921 -0.185 18976 6629 1 8 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.554 -0.892 18976 6630 1 8 . 1 1 102 102 TYR CB C 102 42.801 42.801 39.985 2.816 18976 6631 1 8 . 1 1 102 102 TYR H H 102 7.610 7.610 8.242 -0.632 18976 6632 1 8 . 1 1 103 103 ILE N N 103 127.698 127.698 124.241 3.457 18976 6633 1 8 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.478 0.338 18976 6634 1 8 . 1 1 103 103 ILE C C 103 175.634 175.634 175.719 -0.085 18976 6635 1 8 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.882 0.556 18976 6636 1 8 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.523 -0.604 18976 6637 1 8 . 1 1 103 103 ILE H H 103 10.228 10.228 8.557 1.671 18976 6638 1 8 . 1 1 104 104 SER N N 104 123.581 123.581 122.606 0.975 18976 6639 1 8 . 1 1 104 104 SER HA H 104 4.849 4.849 4.999 -0.150 18976 6640 1 8 . 1 1 104 104 SER C C 104 175.191 175.191 175.155 0.036 18976 6641 1 8 . 1 1 104 104 SER CA C 104 55.499 55.499 55.530 -0.031 18976 6642 1 8 . 1 1 104 104 SER CB C 104 66.371 66.371 65.555 0.816 18976 6643 1 8 . 1 1 104 104 SER H H 104 8.947 8.947 8.191 0.756 18976 6644 1 8 . 1 1 105 105 ALA N N 105 122.829 122.829 126.035 -3.206 18976 6645 1 8 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.031 -0.102 18976 6646 1 8 . 1 1 105 105 ALA C C 105 179.272 179.272 178.797 0.475 18976 6647 1 8 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.548 0.112 18976 6648 1 8 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.501 -0.818 18976 6649 1 8 . 1 1 105 105 ALA H H 105 9.251 9.251 9.121 0.130 18976 6650 1 8 . 1 1 106 106 ALA N N 106 118.442 118.442 120.466 -2.024 18976 6651 1 8 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.897 0.140 18976 6652 1 8 . 1 1 106 106 ALA C C 106 181.180 181.180 178.415 2.765 18976 6653 1 8 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.691 0.150 18976 6654 1 8 . 1 1 106 106 ALA CB C 106 18.043 18.043 17.983 0.060 18976 6655 1 8 . 1 1 106 106 ALA H H 106 8.209 8.209 8.521 -0.312 18976 6656 1 8 . 1 1 107 107 GLU N N 107 118.406 118.406 118.542 -0.136 18976 6657 1 8 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.106 -0.114 18976 6658 1 8 . 1 1 107 107 GLU C C 107 179.272 179.272 178.698 0.574 18976 6659 1 8 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.424 0.717 18976 6660 1 8 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.419 -0.663 18976 6661 1 8 . 1 1 107 107 GLU H H 107 7.752 7.752 7.725 0.027 18976 6662 1 8 . 1 1 108 108 LEU N N 108 122.413 122.413 119.754 2.659 18976 6663 1 8 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.041 0.031 18976 6664 1 8 . 1 1 108 108 LEU C C 108 178.553 178.553 179.027 -0.474 18976 6665 1 8 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.858 -0.566 18976 6666 1 8 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.710 -0.267 18976 6667 1 8 . 1 1 108 108 LEU H H 108 8.793 8.793 8.154 0.639 18976 6668 1 8 . 1 1 109 109 ARG N N 109 118.074 118.074 118.413 -0.339 18976 6669 1 8 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.042 -0.185 18976 6670 1 8 . 1 1 109 109 ARG C C 109 179.140 179.140 178.922 0.218 18976 6671 1 8 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.421 0.365 18976 6672 1 8 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.029 -0.205 18976 6673 1 8 . 1 1 109 109 ARG H H 109 8.421 8.421 7.447 0.974 18976 6674 1 8 . 1 1 110 110 ILE N N 110 120.191 120.191 119.982 0.209 18976 6675 1 8 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.891 -0.104 18976 6676 1 8 . 1 1 110 110 ILE C C 110 177.804 177.804 177.346 0.458 18976 6677 1 8 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.342 0.211 18976 6678 1 8 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.136 -0.078 18976 6679 1 8 . 1 1 110 110 ILE H H 110 7.401 7.401 7.444 -0.043 18976 6680 1 8 . 1 1 111 111 VAL N N 111 120.330 120.330 120.775 -0.445 18976 6681 1 8 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.696 0.067 18976 6682 1 8 . 1 1 111 111 VAL C C 111 178.802 178.802 177.305 1.497 18976 6683 1 8 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.809 -0.119 18976 6684 1 8 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.161 -0.569 18976 6685 1 8 . 1 1 111 111 VAL H H 111 7.907 7.907 7.429 0.478 18976 6686 1 8 . 1 1 112 112 MET N N 112 116.794 116.794 117.710 -0.916 18976 6687 1 8 . 1 1 112 112 MET HA H 112 4.396 4.396 4.271 0.125 18976 6688 1 8 . 1 1 112 112 MET C C 112 178.890 178.890 178.406 0.484 18976 6689 1 8 . 1 1 112 112 MET CA C 112 56.719 56.719 57.237 -0.518 18976 6690 1 8 . 1 1 112 112 MET CB C 112 30.384 30.384 31.179 -0.795 18976 6691 1 8 . 1 1 112 112 MET H H 112 8.355 8.355 8.160 0.195 18976 6692 1 8 . 1 1 113 113 THR N N 113 117.282 117.282 115.300 1.982 18976 6693 1 8 . 1 1 113 113 THR HA H 113 4.187 4.187 4.049 0.138 18976 6694 1 8 . 1 1 113 113 THR C C 113 178.112 178.112 176.471 1.641 18976 6695 1 8 . 1 1 113 113 THR CA C 113 65.902 65.902 66.626 -0.724 18976 6696 1 8 . 1 1 113 113 THR CB C 113 68.642 68.642 68.453 0.189 18976 6697 1 8 . 1 1 113 113 THR H H 113 8.314 8.314 7.753 0.561 18976 6698 1 8 . 1 1 114 114 ASN N N 114 122.220 122.220 119.563 2.657 18976 6699 1 8 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.532 0.060 18976 6700 1 8 . 1 1 114 114 ASN C C 114 176.644 176.644 177.101 -0.457 18976 6701 1 8 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.118 0.036 18976 6702 1 8 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.807 -1.211 18976 6703 1 8 . 1 1 114 114 ASN H H 114 8.483 8.483 7.804 0.679 18976 6704 1 8 . 1 1 115 115 ARG N N 115 117.970 117.970 117.568 0.402 18976 6705 1 8 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.373 0.056 18976 6706 1 8 . 1 1 115 115 ARG C C 115 176.366 176.366 176.671 -0.305 18976 6707 1 8 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.533 -0.134 18976 6708 1 8 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.435 0.065 18976 6709 1 8 . 1 1 115 115 ARG H H 115 7.776 7.776 8.113 -0.337 18976 6710 1 8 . 1 1 116 116 GLY N N 116 107.547 107.547 107.183 0.364 18976 6711 1 8 . 1 1 116 116 GLY C C 116 174.384 174.384 175.254 -0.870 18976 6712 1 8 . 1 1 116 116 GLY CA C 116 45.207 45.207 46.024 -0.817 18976 6713 1 8 . 1 1 116 116 GLY H H 116 7.968 7.968 7.602 0.366 18976 6714 1 8 . 1 1 117 117 GLU N N 117 119.975 119.975 121.746 -1.771 18976 6715 1 8 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.449 -0.043 18976 6716 1 8 . 1 1 117 117 GLU C C 117 175.558 175.558 175.659 -0.101 18976 6717 1 8 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.238 0.939 18976 6718 1 8 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.289 2.111 18976 6719 1 8 . 1 1 117 117 GLU H H 117 7.934 7.934 7.829 0.105 18976 6720 1 8 . 1 1 118 118 LYS N N 118 124.035 124.035 121.727 2.308 18976 6721 1 8 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.137 0.267 18976 6722 1 8 . 1 1 118 118 LYS C C 118 175.441 175.441 176.145 -0.704 18976 6723 1 8 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.989 -1.722 18976 6724 1 8 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.834 -0.984 18976 6725 1 8 . 1 1 118 118 LYS H H 118 8.626 8.626 7.572 1.054 18976 6726 1 8 . 1 1 119 119 LEU N N 119 124.745 124.745 127.237 -2.492 18976 6727 1 8 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.890 -0.120 18976 6728 1 8 . 1 1 119 119 LEU C C 119 178.127 178.127 177.121 1.006 18976 6729 1 8 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.929 0.910 18976 6730 1 8 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.954 -0.631 18976 6731 1 8 . 1 1 119 119 LEU H H 119 8.140 8.140 8.256 -0.116 18976 6732 1 8 . 1 1 120 120 THR N N 120 114.555 114.555 116.409 -1.854 18976 6733 1 8 . 1 1 120 120 THR HA H 120 4.477 4.477 4.378 0.099 18976 6734 1 8 . 1 1 120 120 THR C C 120 175.514 175.514 175.342 0.172 18976 6735 1 8 . 1 1 120 120 THR CA C 120 60.613 60.613 62.008 -1.395 18976 6736 1 8 . 1 1 120 120 THR CB C 120 70.902 70.902 69.676 1.226 18976 6737 1 8 . 1 1 120 120 THR H H 120 9.220 9.220 8.656 0.564 18976 6738 1 8 . 1 1 121 121 ASP N N 121 121.128 121.128 122.742 -1.614 18976 6739 1 8 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.248 -0.020 18976 6740 1 8 . 1 1 121 121 ASP C C 121 178.655 178.655 177.274 1.381 18976 6741 1 8 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.382 0.370 18976 6742 1 8 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.208 -0.893 18976 6743 1 8 . 1 1 121 121 ASP H H 121 8.921 8.921 8.880 0.041 18976 6744 1 8 . 1 1 122 122 GLU N N 122 119.266 119.266 118.177 1.089 18976 6745 1 8 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.124 -0.005 18976 6746 1 8 . 1 1 122 122 GLU C C 122 179.184 179.184 178.475 0.709 18976 6747 1 8 . 1 1 122 122 GLU CA C 122 59.772 59.772 58.705 1.067 18976 6748 1 8 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.215 -0.349 18976 6749 1 8 . 1 1 122 122 GLU H H 122 8.712 8.712 8.656 0.056 18976 6750 1 8 . 1 1 123 123 GLU N N 123 120.455 120.455 120.073 0.382 18976 6751 1 8 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.165 -0.142 18976 6752 1 8 . 1 1 123 123 GLU C C 123 180.123 180.123 179.308 0.815 18976 6753 1 8 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.782 0.308 18976 6754 1 8 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.755 0.458 18976 6755 1 8 . 1 1 123 123 GLU H H 123 7.763 7.763 7.609 0.154 18976 6756 1 8 . 1 1 124 124 VAL N N 124 121.726 121.726 116.533 5.193 18976 6757 1 8 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.750 -0.143 18976 6758 1 8 . 1 1 124 124 VAL C C 124 177.337 177.337 177.399 -0.062 18976 6759 1 8 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.425 0.307 18976 6760 1 8 . 1 1 124 124 VAL CB C 124 31.042 31.042 30.996 0.046 18976 6761 1 8 . 1 1 124 124 VAL H H 124 8.119 8.119 7.960 0.159 18976 6762 1 8 . 1 1 125 125 ASP N N 125 119.880 119.880 120.148 -0.268 18976 6763 1 8 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.384 -0.033 18976 6764 1 8 . 1 1 125 125 ASP C C 125 179.323 179.323 178.099 1.224 18976 6765 1 8 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.360 0.015 18976 6766 1 8 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.751 -0.639 18976 6767 1 8 . 1 1 125 125 ASP H H 125 8.051 8.051 7.804 0.247 18976 6768 1 8 . 1 1 126 126 GLU N N 126 119.798 119.798 119.319 0.479 18976 6769 1 8 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.059 -0.038 18976 6770 1 8 . 1 1 126 126 GLU C C 126 177.966 177.966 178.918 -0.952 18976 6771 1 8 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.287 -0.314 18976 6772 1 8 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.576 -0.492 18976 6773 1 8 . 1 1 126 126 GLU H H 126 8.047 8.047 7.843 0.204 18976 6774 1 8 . 1 1 127 127 MET N N 127 119.443 119.443 116.269 3.174 18976 6775 1 8 . 1 1 127 127 MET HA H 127 4.137 4.137 4.416 -0.279 18976 6776 1 8 . 1 1 127 127 MET C C 127 179.859 179.859 178.925 0.934 18976 6777 1 8 . 1 1 127 127 MET CA C 127 59.137 59.137 58.315 0.822 18976 6778 1 8 . 1 1 127 127 MET CB C 127 32.239 32.239 32.462 -0.223 18976 6779 1 8 . 1 1 127 127 MET H H 127 7.795 7.795 7.586 0.209 18976 6780 1 8 . 1 1 128 128 ILE N N 128 120.667 120.667 121.588 -0.921 18976 6781 1 8 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.745 -0.224 18976 6782 1 8 . 1 1 128 128 ILE C C 128 177.657 177.657 178.137 -0.480 18976 6783 1 8 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.861 -1.049 18976 6784 1 8 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.802 -0.815 18976 6785 1 8 . 1 1 128 128 ILE H H 128 8.158 8.158 8.153 0.005 18976 6786 1 8 . 1 1 129 129 ARG N N 129 119.725 119.725 118.158 1.567 18976 6787 1 8 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.090 -0.021 18976 6788 1 8 . 1 1 129 129 ARG C C 129 178.920 178.920 178.175 0.745 18976 6789 1 8 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.935 0.680 18976 6790 1 8 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.178 -0.296 18976 6791 1 8 . 1 1 129 129 ARG H H 129 8.270 8.270 7.716 0.554 18976 6792 1 8 . 1 1 130 130 GLU N N 130 115.236 115.236 115.976 -0.740 18976 6793 1 8 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.243 -0.149 18976 6794 1 8 . 1 1 130 130 GLU C C 130 177.349 177.349 178.371 -1.022 18976 6795 1 8 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.150 -0.250 18976 6796 1 8 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.517 0.306 18976 6797 1 8 . 1 1 130 130 GLU H H 130 7.953 7.953 8.155 -0.202 18976 6798 1 8 . 1 1 131 131 THR N N 131 112.585 112.585 113.493 -0.908 18976 6799 1 8 . 1 1 131 131 THR HA H 131 4.239 4.239 4.244 -0.005 18976 6800 1 8 . 1 1 131 131 THR C C 131 174.149 174.149 173.816 0.333 18976 6801 1 8 . 1 1 131 131 THR CA C 131 62.887 62.887 63.802 -0.915 18976 6802 1 8 . 1 1 131 131 THR CB C 131 69.337 69.337 70.024 -0.687 18976 6803 1 8 . 1 1 131 131 THR H H 131 7.465 7.465 7.490 -0.025 18976 6804 1 8 . 1 1 132 132 ASP N N 132 121.237 121.237 119.653 1.584 18976 6805 1 8 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.766 -0.288 18976 6806 1 8 . 1 1 132 132 ASP C C 132 175.777 175.777 177.068 -1.291 18976 6807 1 8 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.253 0.701 18976 6808 1 8 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.767 -2.327 18976 6809 1 8 . 1 1 132 132 ASP H H 132 8.070 8.070 7.709 0.361 18976 6810 1 8 . 1 1 133 133 ILE N N 133 127.244 127.244 119.468 7.776 18976 6811 1 8 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.250 -0.274 18976 6812 1 8 . 1 1 133 133 ILE C C 133 177.628 177.628 176.061 1.567 18976 6813 1 8 . 1 1 133 133 ILE CA C 133 62.866 62.866 61.995 0.871 18976 6814 1 8 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.726 -0.248 18976 6815 1 8 . 1 1 133 133 ILE H H 133 8.345 8.345 8.194 0.151 18976 6816 1 8 . 1 1 134 134 ASP N N 134 116.893 116.893 120.044 -3.151 18976 6817 1 8 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.590 -0.057 18976 6818 1 8 . 1 1 134 134 ASP C C 134 178.259 178.259 177.457 0.802 18976 6819 1 8 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.017 -0.474 18976 6820 1 8 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.535 -0.697 18976 6821 1 8 . 1 1 134 134 ASP H H 134 8.297 8.297 8.016 0.281 18976 6822 1 8 . 1 1 135 135 GLY N N 135 108.287 108.287 108.470 -0.183 18976 6823 1 8 . 1 1 135 135 GLY C C 135 175.250 175.250 175.405 -0.155 18976 6824 1 8 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.982 1.115 18976 6825 1 8 . 1 1 135 135 GLY H H 135 7.623 7.623 8.044 -0.421 18976 6826 1 8 . 1 1 136 136 ASP N N 136 120.541 120.541 120.150 0.391 18976 6827 1 8 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.560 -0.080 18976 6828 1 8 . 1 1 136 136 ASP C C 136 177.584 177.584 177.960 -0.376 18976 6829 1 8 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.701 -0.326 18976 6830 1 8 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.152 -1.259 18976 6831 1 8 . 1 1 136 136 ASP H H 136 8.290 8.290 8.336 -0.046 18976 6832 1 8 . 1 1 137 137 GLY N N 137 112.490 112.490 109.069 3.421 18976 6833 1 8 . 1 1 137 137 GLY C C 137 172.828 172.828 173.371 -0.543 18976 6834 1 8 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.098 0.372 18976 6835 1 8 . 1 1 137 137 GLY H H 137 10.224 10.224 8.508 1.716 18976 6836 1 8 . 1 1 138 138 GLN N N 138 115.266 115.266 117.709 -2.443 18976 6837 1 8 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.567 -0.698 18976 6838 1 8 . 1 1 138 138 GLN C C 138 174.677 174.677 174.831 -0.154 18976 6839 1 8 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.239 -1.453 18976 6840 1 8 . 1 1 138 138 GLN CB C 138 31.743 31.743 34.325 -2.582 18976 6841 1 8 . 1 1 138 138 GLN H H 138 7.992 7.992 8.324 -0.332 18976 6842 1 8 . 1 1 139 139 VAL N N 139 125.667 125.667 121.888 3.779 18976 6843 1 8 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.558 0.554 18976 6844 1 8 . 1 1 139 139 VAL C C 139 175.763 175.763 175.217 0.546 18976 6845 1 8 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.663 1.016 18976 6846 1 8 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.653 0.879 18976 6847 1 8 . 1 1 139 139 VAL H H 139 9.227 9.227 8.615 0.612 18976 6848 1 8 . 1 1 140 140 ASN N N 140 128.431 128.431 125.815 2.616 18976 6849 1 8 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.594 -0.320 18976 6850 1 8 . 1 1 140 140 ASN C C 140 175.079 175.079 176.522 -1.443 18976 6851 1 8 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.815 -1.149 18976 6852 1 8 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.127 -2.900 18976 6853 1 8 . 1 1 140 140 ASN H H 140 9.360 9.360 8.049 1.311 18976 6854 1 8 . 1 1 141 141 TYR N N 141 119.146 119.146 121.948 -2.802 18976 6855 1 8 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.225 0.161 18976 6856 1 8 . 1 1 141 141 TYR C C 141 176.092 176.092 176.711 -0.619 18976 6857 1 8 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.985 -0.927 18976 6858 1 8 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.424 -1.065 18976 6859 1 8 . 1 1 141 141 TYR H H 141 8.451 8.451 9.071 -0.620 18976 6860 1 8 . 1 1 142 142 GLU N N 142 118.431 118.431 119.038 -0.607 18976 6861 1 8 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.856 -0.174 18976 6862 1 8 . 1 1 142 142 GLU C C 142 180.226 180.226 178.226 2.000 18976 6863 1 8 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.970 0.113 18976 6864 1 8 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.809 -0.263 18976 6865 1 8 . 1 1 142 142 GLU H H 142 8.097 8.097 8.797 -0.700 18976 6866 1 8 . 1 1 143 143 GLU N N 143 120.068 120.068 117.765 2.303 18976 6867 1 8 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.097 -0.107 18976 6868 1 8 . 1 1 143 143 GLU C C 143 179.060 179.060 178.219 0.841 18976 6869 1 8 . 1 1 143 143 GLU CA C 143 58.574 58.574 57.911 0.663 18976 6870 1 8 . 1 1 143 143 GLU CB C 143 29.182 29.182 28.872 0.310 18976 6871 1 8 . 1 1 143 143 GLU H H 143 8.667 8.667 8.185 0.482 18976 6872 1 8 . 1 1 144 144 PHE N N 144 123.392 123.392 123.164 0.228 18976 6873 1 8 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.215 -0.248 18976 6874 1 8 . 1 1 144 144 PHE C C 144 176.982 176.982 177.131 -0.149 18976 6875 1 8 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.261 0.184 18976 6876 1 8 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.553 0.142 18976 6877 1 8 . 1 1 144 144 PHE H H 144 8.731 8.731 8.533 0.198 18976 6878 1 8 . 1 1 145 145 VAL N N 145 119.201 119.201 116.183 3.018 18976 6879 1 8 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.347 -0.154 18976 6880 1 8 . 1 1 145 145 VAL C C 145 179.228 179.228 177.469 1.759 18976 6881 1 8 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.111 1.551 18976 6882 1 8 . 1 1 145 145 VAL CB C 145 31.284 31.284 30.877 0.407 18976 6883 1 8 . 1 1 145 145 VAL H H 145 8.671 8.671 7.922 0.749 18976 6884 1 8 . 1 1 146 146 GLN N N 146 119.252 119.252 120.303 -1.051 18976 6885 1 8 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.821 0.095 18976 6886 1 8 . 1 1 146 146 GLN C C 146 177.825 177.825 177.705 0.120 18976 6887 1 8 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.079 -0.512 18976 6888 1 8 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.246 -0.426 18976 6889 1 8 . 1 1 146 146 GLN H H 146 7.767 7.767 7.661 0.106 18976 6890 1 8 . 1 1 147 147 ARG N N 147 118.529 118.529 118.544 -0.015 18976 6891 1 8 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.052 0.120 18976 6892 1 8 . 1 1 147 147 ARG C C 147 178.112 178.112 178.250 -0.138 18976 6893 1 8 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.522 -1.013 18976 6894 1 8 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.775 0.339 18976 6895 1 8 . 1 1 147 147 ARG H H 147 7.628 7.628 7.399 0.229 18976 6896 1 8 . 1 1 148 148 MET N N 148 115.755 115.755 116.885 -1.130 18976 6897 1 8 . 1 1 148 148 MET HA H 148 4.304 4.304 4.240 0.064 18976 6898 1 8 . 1 1 148 148 MET C C 148 177.628 177.628 177.348 0.280 18976 6899 1 8 . 1 1 148 148 MET CA C 148 55.489 55.489 56.943 -1.454 18976 6900 1 8 . 1 1 148 148 MET CB C 148 31.773 31.773 32.531 -0.758 18976 6901 1 8 . 1 1 148 148 MET H H 148 8.003 8.003 7.430 0.573 18976 6902 1 8 . 1 1 149 149 THR N N 149 110.062 110.062 113.532 -3.470 18976 6903 1 8 . 1 1 149 149 THR HA H 149 4.349 4.349 4.167 0.182 18976 6904 1 8 . 1 1 149 149 THR C C 149 174.149 174.149 174.212 -0.063 18976 6905 1 8 . 1 1 149 149 THR CA C 149 61.775 61.775 64.316 -2.541 18976 6906 1 8 . 1 1 149 149 THR CB C 149 69.780 69.780 68.830 0.950 18976 6907 1 8 . 1 1 149 149 THR H H 149 7.682 7.682 7.697 -0.015 18976 6908 1 8 . 1 1 150 150 ALA N N 150 126.503 126.503 124.930 1.573 18976 6909 1 8 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.237 0.093 18976 6910 1 8 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.237 0.298 18976 6911 1 8 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.001 0.733 18976 6912 1 8 . 1 1 150 150 ALA H H 150 7.651 7.651 7.128 0.523 18976 6913 1 9 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.020 0.401 18976 6914 1 9 . 1 1 2 2 LEU C C 2 177.129 177.129 177.073 0.056 18976 6915 1 9 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.205 -0.083 18976 6916 1 9 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.450 1.003 18976 6917 1 9 . 1 1 2 2 LEU H H 2 8.641 8.641 7.989 0.652 18976 6918 1 9 . 1 1 3 3 MET N N 3 120.143 120.143 113.398 6.745 18976 6919 1 9 . 1 1 3 3 MET HA H 3 4.451 4.451 3.958 0.493 18976 6920 1 9 . 1 1 3 3 MET C C 3 176.835 176.835 175.796 1.039 18976 6921 1 9 . 1 1 3 3 MET CA C 3 55.160 55.160 57.645 -2.485 18976 6922 1 9 . 1 1 3 3 MET CB C 3 32.584 32.584 30.923 1.661 18976 6923 1 9 . 1 1 3 3 MET H H 3 8.396 8.396 8.564 -0.168 18976 6924 1 9 . 1 1 4 4 ALA N N 4 123.344 123.344 123.091 0.253 18976 6925 1 9 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.696 0.364 18976 6926 1 9 . 1 1 4 4 ALA C C 4 177.922 177.922 178.768 -0.846 18976 6927 1 9 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.499 -0.949 18976 6928 1 9 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.498 0.058 18976 6929 1 9 . 1 1 4 4 ALA H H 4 8.396 8.396 8.155 0.241 18976 6930 1 9 . 1 1 5 5 ASP N N 5 116.052 116.052 118.107 -2.055 18976 6931 1 9 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.491 0.018 18976 6932 1 9 . 1 1 5 5 ASP C C 5 176.366 176.366 176.990 -0.624 18976 6933 1 9 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.597 -0.974 18976 6934 1 9 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.736 -0.473 18976 6935 1 9 . 1 1 5 5 ASP H H 5 8.114 8.114 7.729 0.385 18976 6936 1 9 . 1 1 6 6 GLN N N 6 117.717 117.717 117.742 -0.025 18976 6937 1 9 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.328 0.049 18976 6938 1 9 . 1 1 6 6 GLN C C 6 175.842 175.842 175.400 0.442 18976 6939 1 9 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.444 -0.133 18976 6940 1 9 . 1 1 6 6 GLN CB C 6 29.590 29.590 28.031 1.559 18976 6941 1 9 . 1 1 6 6 GLN H H 6 7.935 7.935 8.257 -0.322 18976 6942 1 9 . 1 1 7 7 LEU N N 7 121.086 121.086 121.051 0.035 18976 6943 1 9 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.567 0.109 18976 6944 1 9 . 1 1 7 7 LEU C C 7 177.496 177.496 176.885 0.611 18976 6945 1 9 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.371 -0.306 18976 6946 1 9 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.240 0.028 18976 6947 1 9 . 1 1 7 7 LEU H H 7 7.713 7.713 7.415 0.298 18976 6948 1 9 . 1 1 8 8 THR N N 8 112.688 112.688 110.657 2.031 18976 6949 1 9 . 1 1 8 8 THR HA H 8 4.475 4.475 4.702 -0.227 18976 6950 1 9 . 1 1 8 8 THR C C 8 175.511 175.511 175.434 0.077 18976 6951 1 9 . 1 1 8 8 THR CA C 8 60.256 60.256 59.898 0.358 18976 6952 1 9 . 1 1 8 8 THR CB C 8 71.019 71.019 70.732 0.287 18976 6953 1 9 . 1 1 8 8 THR H H 8 8.800 8.800 8.042 0.758 18976 6954 1 9 . 1 1 9 9 GLU N N 9 120.380 120.380 121.956 -1.576 18976 6955 1 9 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.072 -0.092 18976 6956 1 9 . 1 1 9 9 GLU C C 9 179.492 179.492 178.990 0.502 18976 6957 1 9 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.669 0.258 18976 6958 1 9 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.457 -0.532 18976 6959 1 9 . 1 1 9 9 GLU H H 9 9.040 9.040 9.036 0.004 18976 6960 1 9 . 1 1 10 10 GLU N N 10 119.361 119.361 119.073 0.288 18976 6961 1 9 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.107 -0.033 18976 6962 1 9 . 1 1 10 10 GLU C C 10 179.185 179.185 178.985 0.200 18976 6963 1 9 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.260 0.507 18976 6964 1 9 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.254 -0.458 18976 6965 1 9 . 1 1 10 10 GLU H H 10 8.729 8.729 8.773 -0.044 18976 6966 1 9 . 1 1 11 11 GLN N N 11 120.302 120.302 119.338 0.964 18976 6967 1 9 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.428 -0.560 18976 6968 1 9 . 1 1 11 11 GLN C C 11 178.318 178.318 178.939 -0.621 18976 6969 1 9 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.563 -0.179 18976 6970 1 9 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.517 -0.632 18976 6971 1 9 . 1 1 11 11 GLN H H 11 7.747 7.747 7.480 0.267 18976 6972 1 9 . 1 1 12 12 ILE N N 12 119.533 119.533 120.437 -0.904 18976 6973 1 9 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.055 -0.337 18976 6974 1 9 . 1 1 12 12 ILE C C 12 177.731 177.731 177.908 -0.177 18976 6975 1 9 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.095 0.864 18976 6976 1 9 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.785 -0.274 18976 6977 1 9 . 1 1 12 12 ILE H H 12 8.456 8.456 8.599 -0.143 18976 6978 1 9 . 1 1 13 13 ALA N N 13 121.161 121.161 122.942 -1.781 18976 6979 1 9 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.955 0.184 18976 6980 1 9 . 1 1 13 13 ALA C C 13 181.019 181.019 179.039 1.980 18976 6981 1 9 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.552 -0.429 18976 6982 1 9 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.179 -0.675 18976 6983 1 9 . 1 1 13 13 ALA H H 13 8.018 8.018 7.989 0.029 18976 6984 1 9 . 1 1 14 14 GLU N N 14 119.619 119.619 118.876 0.743 18976 6985 1 9 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.048 0.116 18976 6986 1 9 . 1 1 14 14 GLU C C 14 180.534 180.534 179.133 1.401 18976 6987 1 9 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.727 0.397 18976 6988 1 9 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.153 -0.300 18976 6989 1 9 . 1 1 14 14 GLU H H 14 7.792 7.792 7.834 -0.042 18976 6990 1 9 . 1 1 15 15 PHE N N 15 120.089 120.089 120.599 -0.510 18976 6991 1 9 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.576 0.488 18976 6992 1 9 . 1 1 15 15 PHE C C 15 178.700 178.700 178.150 0.550 18976 6993 1 9 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.860 -3.003 18976 6994 1 9 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.488 -2.012 18976 6995 1 9 . 1 1 15 15 PHE H H 15 8.587 8.587 8.613 -0.026 18976 6996 1 9 . 1 1 16 16 LYS N N 16 123.715 123.715 119.672 4.043 18976 6997 1 9 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.105 -0.060 18976 6998 1 9 . 1 1 16 16 LYS C C 16 179.327 179.327 179.017 0.310 18976 6999 1 9 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.180 0.690 18976 7000 1 9 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.486 0.087 18976 7001 1 9 . 1 1 16 16 LYS H H 16 9.256 9.256 8.240 1.016 18976 7002 1 9 . 1 1 17 17 GLU N N 17 120.262 120.262 120.567 -0.305 18976 7003 1 9 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.139 0.017 18976 7004 1 9 . 1 1 17 17 GLU C C 17 179.456 179.456 178.741 0.715 18976 7005 1 9 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.087 -0.080 18976 7006 1 9 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.224 -0.415 18976 7007 1 9 . 1 1 17 17 GLU H H 17 7.774 7.774 8.039 -0.265 18976 7008 1 9 . 1 1 18 18 ALA N N 18 122.590 122.590 122.267 0.323 18976 7009 1 9 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.256 0.059 18976 7010 1 9 . 1 1 18 18 ALA C C 18 179.060 179.060 179.922 -0.862 18976 7011 1 9 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.037 -0.208 18976 7012 1 9 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.575 -0.777 18976 7013 1 9 . 1 1 18 18 ALA H H 18 8.001 8.001 8.237 -0.236 18976 7014 1 9 . 1 1 19 19 PHE N N 19 119.363 119.363 118.419 0.944 18976 7015 1 9 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.730 -0.496 18976 7016 1 9 . 1 1 19 19 PHE C C 19 177.290 177.290 177.266 0.024 18976 7017 1 9 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.567 1.190 18976 7018 1 9 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.979 0.159 18976 7019 1 9 . 1 1 19 19 PHE H H 19 8.859 8.859 8.317 0.542 18976 7020 1 9 . 1 1 20 20 SER N N 20 112.556 112.556 114.935 -2.379 18976 7021 1 9 . 1 1 20 20 SER HA H 20 4.142 4.142 4.127 0.015 18976 7022 1 9 . 1 1 20 20 SER C C 20 174.955 174.955 176.007 -1.052 18976 7023 1 9 . 1 1 20 20 SER CA C 20 61.007 61.007 61.524 -0.517 18976 7024 1 9 . 1 1 20 20 SER CB C 20 62.960 62.960 63.329 -0.369 18976 7025 1 9 . 1 1 20 20 SER H H 20 7.934 7.934 7.746 0.188 18976 7026 1 9 . 1 1 21 21 LEU N N 21 120.816 120.816 117.907 2.909 18976 7027 1 9 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.246 -0.230 18976 7028 1 9 . 1 1 21 21 LEU C C 21 178.010 178.010 178.051 -0.041 18976 7029 1 9 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.160 -0.365 18976 7030 1 9 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.725 -0.593 18976 7031 1 9 . 1 1 21 21 LEU H H 21 7.434 7.434 7.647 -0.213 18976 7032 1 9 . 1 1 22 22 PHE N N 22 115.049 115.049 118.444 -3.395 18976 7033 1 9 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.344 -0.100 18976 7034 1 9 . 1 1 22 22 PHE C C 22 176.762 176.762 175.974 0.788 18976 7035 1 9 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.058 -1.038 18976 7036 1 9 . 1 1 22 22 PHE CB C 22 40.730 40.730 40.271 0.459 18976 7037 1 9 . 1 1 22 22 PHE H H 22 7.326 7.326 7.533 -0.207 18976 7038 1 9 . 1 1 23 23 ASP N N 23 117.496 117.496 118.647 -1.151 18976 7039 1 9 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.881 -0.330 18976 7040 1 9 . 1 1 23 23 ASP C C 23 177.167 177.167 175.827 1.340 18976 7041 1 9 . 1 1 23 23 ASP CA C 23 52.041 52.041 52.851 -0.810 18976 7042 1 9 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.686 -1.088 18976 7043 1 9 . 1 1 23 23 ASP H H 23 7.851 7.851 7.673 0.178 18976 7044 1 9 . 1 1 24 24 LYS N N 24 124.470 124.470 124.324 0.146 18976 7045 1 9 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.006 -0.022 18976 7046 1 9 . 1 1 24 24 LYS C C 24 178.127 178.127 178.033 0.094 18976 7047 1 9 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.254 -0.096 18976 7048 1 9 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.254 0.129 18976 7049 1 9 . 1 1 24 24 LYS H H 24 7.687 7.687 7.752 -0.065 18976 7050 1 9 . 1 1 25 25 ASP N N 25 113.822 113.822 116.513 -2.691 18976 7051 1 9 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.446 0.160 18976 7052 1 9 . 1 1 25 25 ASP C C 25 177.687 177.687 177.440 0.247 18976 7053 1 9 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.045 -1.586 18976 7054 1 9 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.783 -0.592 18976 7055 1 9 . 1 1 25 25 ASP H H 25 8.067 8.067 7.863 0.204 18976 7056 1 9 . 1 1 26 26 GLY N N 26 109.208 109.208 108.411 0.797 18976 7057 1 9 . 1 1 26 26 GLY C C 26 175.132 175.132 175.409 -0.277 18976 7058 1 9 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.101 0.773 18976 7059 1 9 . 1 1 26 26 GLY H H 26 7.698 7.698 7.537 0.161 18976 7060 1 9 . 1 1 27 27 ASP N N 27 120.603 120.603 120.376 0.227 18976 7061 1 9 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.568 -0.045 18976 7062 1 9 . 1 1 27 27 ASP C C 27 177.452 177.452 177.867 -0.415 18976 7063 1 9 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.622 -0.129 18976 7064 1 9 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.015 -0.767 18976 7065 1 9 . 1 1 27 27 ASP H H 27 8.397 8.397 8.424 -0.027 18976 7066 1 9 . 1 1 28 28 GLY N N 28 113.187 113.187 109.239 3.948 18976 7067 1 9 . 1 1 28 28 GLY C C 28 173.679 173.679 173.752 -0.073 18976 7068 1 9 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.415 -0.234 18976 7069 1 9 . 1 1 28 28 GLY H H 28 10.648 10.648 8.393 2.255 18976 7070 1 9 . 1 1 29 29 THR N N 29 112.865 112.865 110.533 2.332 18976 7071 1 9 . 1 1 29 29 THR HA H 29 5.310 5.310 5.287 0.023 18976 7072 1 9 . 1 1 29 29 THR C C 29 172.872 172.872 173.257 -0.385 18976 7073 1 9 . 1 1 29 29 THR CA C 29 59.764 59.764 60.938 -1.174 18976 7074 1 9 . 1 1 29 29 THR CB C 29 72.319 72.319 71.631 0.688 18976 7075 1 9 . 1 1 29 29 THR H H 29 8.144 8.144 8.334 -0.190 18976 7076 1 9 . 1 1 30 30 ILE N N 30 127.035 127.035 127.407 -0.372 18976 7077 1 9 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.797 0.183 18976 7078 1 9 . 1 1 30 30 ILE C C 30 176.072 176.072 176.923 -0.851 18976 7079 1 9 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.356 -0.212 18976 7080 1 9 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.915 1.387 18976 7081 1 9 . 1 1 30 30 ILE H H 30 9.821 9.821 8.798 1.023 18976 7082 1 9 . 1 1 31 31 THR N N 31 116.509 116.509 119.702 -3.193 18976 7083 1 9 . 1 1 31 31 THR HA H 31 4.800 4.800 4.594 0.206 18976 7084 1 9 . 1 1 31 31 THR C C 31 176.542 176.542 176.629 -0.087 18976 7085 1 9 . 1 1 31 31 THR CA C 31 59.396 59.396 60.977 -1.581 18976 7086 1 9 . 1 1 31 31 THR CB C 31 72.162 72.162 70.101 2.061 18976 7087 1 9 . 1 1 31 31 THR H H 31 8.469 8.469 8.235 0.234 18976 7088 1 9 . 1 1 32 32 THR N N 32 112.790 112.790 114.345 -1.555 18976 7089 1 9 . 1 1 32 32 THR HA H 32 3.803 3.803 3.907 -0.104 18976 7090 1 9 . 1 1 32 32 THR C C 32 177.188 177.188 176.426 0.762 18976 7091 1 9 . 1 1 32 32 THR CA C 32 66.253 66.253 66.946 -0.693 18976 7092 1 9 . 1 1 32 32 THR CB C 32 67.459 67.459 68.339 -0.880 18976 7093 1 9 . 1 1 32 32 THR H H 32 9.128 9.128 8.994 0.134 18976 7094 1 9 . 1 1 33 33 LYS N N 33 120.844 120.844 122.771 -1.927 18976 7095 1 9 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.994 0.154 18976 7096 1 9 . 1 1 33 33 LYS C C 33 179.880 179.880 178.416 1.464 18976 7097 1 9 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.917 -0.978 18976 7098 1 9 . 1 1 33 33 LYS CB C 33 32.235 32.235 31.957 0.278 18976 7099 1 9 . 1 1 33 33 LYS H H 33 7.695 7.695 8.494 -0.799 18976 7100 1 9 . 1 1 34 34 GLU N N 34 121.463 121.463 119.831 1.632 18976 7101 1 9 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.106 -0.038 18976 7102 1 9 . 1 1 34 34 GLU C C 34 179.140 179.140 179.010 0.130 18976 7103 1 9 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.185 -0.046 18976 7104 1 9 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.554 -0.009 18976 7105 1 9 . 1 1 34 34 GLU H H 34 7.687 7.687 7.570 0.117 18976 7106 1 9 . 1 1 35 35 LEU N N 35 120.583 120.583 120.735 -0.152 18976 7107 1 9 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.270 -0.147 18976 7108 1 9 . 1 1 35 35 LEU C C 35 178.934 178.934 178.978 -0.044 18976 7109 1 9 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.026 -0.199 18976 7110 1 9 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.997 0.383 18976 7111 1 9 . 1 1 35 35 LEU H H 35 8.745 8.745 8.651 0.094 18976 7112 1 9 . 1 1 36 36 GLY N N 36 128.127 128.127 104.663 23.464 18976 7113 1 9 . 1 1 36 36 GLY C C 36 175.177 175.177 176.211 -1.034 18976 7114 1 9 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.288 0.715 18976 7115 1 9 . 1 1 36 36 GLY H H 36 8.670 8.670 8.342 0.328 18976 7116 1 9 . 1 1 37 37 THR N N 37 117.925 117.925 119.076 -1.151 18976 7117 1 9 . 1 1 37 37 THR HA H 37 3.938 3.938 4.028 -0.090 18976 7118 1 9 . 1 1 37 37 THR C C 37 177.137 177.137 176.373 0.764 18976 7119 1 9 . 1 1 37 37 THR CA C 37 66.648 66.648 66.195 0.453 18976 7120 1 9 . 1 1 37 37 THR CB C 37 68.383 68.383 68.966 -0.583 18976 7121 1 9 . 1 1 37 37 THR H H 37 7.930 7.930 7.564 0.366 18976 7122 1 9 . 1 1 38 38 VAL N N 38 122.046 122.046 121.940 0.106 18976 7123 1 9 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.678 -0.155 18976 7124 1 9 . 1 1 38 38 VAL C C 38 179.243 179.243 177.728 1.515 18976 7125 1 9 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.581 0.381 18976 7126 1 9 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.154 -0.084 18976 7127 1 9 . 1 1 38 38 VAL H H 38 7.643 7.643 7.724 -0.081 18976 7128 1 9 . 1 1 39 39 MET N N 39 118.442 118.442 117.046 1.396 18976 7129 1 9 . 1 1 39 39 MET HA H 39 4.133 4.133 4.138 -0.005 18976 7130 1 9 . 1 1 39 39 MET C C 39 179.125 179.125 178.303 0.822 18976 7131 1 9 . 1 1 39 39 MET CA C 39 58.886 58.886 57.063 1.823 18976 7132 1 9 . 1 1 39 39 MET CB C 39 31.211 31.211 31.346 -0.135 18976 7133 1 9 . 1 1 39 39 MET H H 39 8.497 8.497 8.407 0.090 18976 7134 1 9 . 1 1 40 40 ARG N N 40 118.929 118.929 119.725 -0.796 18976 7135 1 9 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.245 0.588 18976 7136 1 9 . 1 1 40 40 ARG C C 40 181.224 181.224 178.762 2.462 18976 7137 1 9 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.340 -0.454 18976 7138 1 9 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.922 -1.087 18976 7139 1 9 . 1 1 40 40 ARG H H 40 8.536 8.536 7.635 0.901 18976 7140 1 9 . 1 1 41 41 SER N N 41 118.832 118.832 114.421 4.411 18976 7141 1 9 . 1 1 41 41 SER HA H 41 4.425 4.425 4.247 0.178 18976 7142 1 9 . 1 1 41 41 SER C C 41 174.839 174.839 175.359 -0.520 18976 7143 1 9 . 1 1 41 41 SER CA C 41 61.249 61.249 60.386 0.863 18976 7144 1 9 . 1 1 41 41 SER CB C 41 62.464 62.464 62.986 -0.522 18976 7145 1 9 . 1 1 41 41 SER H H 41 7.925 7.925 7.563 0.362 18976 7146 1 9 . 1 1 42 42 LEU N N 42 120.676 120.676 121.073 -0.397 18976 7147 1 9 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.320 0.197 18976 7148 1 9 . 1 1 42 42 LEU C C 42 177.540 177.540 177.551 -0.011 18976 7149 1 9 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.345 -0.113 18976 7150 1 9 . 1 1 42 42 LEU CB C 42 41.670 41.670 40.528 1.142 18976 7151 1 9 . 1 1 42 42 LEU H H 42 7.395 7.395 7.274 0.121 18976 7152 1 9 . 1 1 43 43 GLY N N 43 106.840 106.840 107.750 -0.910 18976 7153 1 9 . 1 1 43 43 GLY C C 43 174.384 174.384 174.133 0.251 18976 7154 1 9 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.047 0.261 18976 7155 1 9 . 1 1 43 43 GLY H H 43 7.885 7.885 7.783 0.102 18976 7156 1 9 . 1 1 44 44 GLN N N 44 118.414 118.414 119.548 -1.134 18976 7157 1 9 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.489 0.013 18976 7158 1 9 . 1 1 44 44 GLN C C 44 174.134 174.134 174.709 -0.575 18976 7159 1 9 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.509 -0.325 18976 7160 1 9 . 1 1 44 44 GLN CB C 44 30.274 30.274 31.046 -0.772 18976 7161 1 9 . 1 1 44 44 GLN H H 44 7.805 7.805 7.573 0.232 18976 7162 1 9 . 1 1 45 45 ASN N N 45 116.265 116.265 118.722 -2.457 18976 7163 1 9 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.080 0.121 18976 7164 1 9 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.729 0.228 18976 7165 1 9 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.986 -1.077 18976 7166 1 9 . 1 1 45 45 ASN H H 45 8.733 8.733 8.598 0.135 18976 7167 1 9 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.759 0.028 18976 7168 1 9 . 1 1 46 46 PRO C C 46 177.745 177.745 176.014 1.731 18976 7169 1 9 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.109 -0.004 18976 7170 1 9 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.595 -0.892 18976 7171 1 9 . 1 1 47 47 THR N N 47 112.958 112.958 116.430 -3.472 18976 7172 1 9 . 1 1 47 47 THR HA H 47 4.451 4.451 4.490 -0.039 18976 7173 1 9 . 1 1 47 47 THR C C 47 175.159 175.159 175.854 -0.695 18976 7174 1 9 . 1 1 47 47 THR CA C 47 60.078 60.078 60.940 -0.862 18976 7175 1 9 . 1 1 47 47 THR CB C 47 71.001 71.001 70.534 0.467 18976 7176 1 9 . 1 1 47 47 THR H H 47 8.767 8.767 8.286 0.481 18976 7177 1 9 . 1 1 48 48 GLU N N 48 120.607 120.607 126.422 -5.815 18976 7178 1 9 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.864 0.142 18976 7179 1 9 . 1 1 48 48 GLU C C 48 178.949 178.949 178.310 0.639 18976 7180 1 9 . 1 1 48 48 GLU CA C 48 59.741 59.741 60.123 -0.383 18976 7181 1 9 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.464 -0.772 18976 7182 1 9 . 1 1 48 48 GLU H H 48 8.824 8.824 9.026 -0.202 18976 7183 1 9 . 1 1 49 49 ALA N N 49 120.678 120.678 121.543 -0.865 18976 7184 1 9 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.140 -0.021 18976 7185 1 9 . 1 1 49 49 ALA C C 49 180.226 180.226 179.583 0.643 18976 7186 1 9 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.782 -0.066 18976 7187 1 9 . 1 1 49 49 ALA CB C 49 17.873 17.873 17.957 -0.084 18976 7188 1 9 . 1 1 49 49 ALA H H 49 8.279 8.279 8.265 0.014 18976 7189 1 9 . 1 1 50 50 GLU N N 50 118.703 118.703 119.572 -0.869 18976 7190 1 9 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.113 -0.061 18976 7191 1 9 . 1 1 50 50 GLU C C 50 180.182 180.182 179.018 1.164 18976 7192 1 9 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.124 -0.267 18976 7193 1 9 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.728 -0.360 18976 7194 1 9 . 1 1 50 50 GLU H H 50 7.712 7.712 7.684 0.028 18976 7195 1 9 . 1 1 51 51 LEU N N 51 120.420 120.420 118.998 1.422 18976 7196 1 9 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.191 -0.097 18976 7197 1 9 . 1 1 51 51 LEU C C 51 178.494 178.494 179.483 -0.989 18976 7198 1 9 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.368 1.311 18976 7199 1 9 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.599 1.457 18976 7200 1 9 . 1 1 51 51 LEU H H 51 8.192 8.192 7.640 0.552 18976 7201 1 9 . 1 1 52 52 GLN N N 52 118.200 118.200 119.559 -1.359 18976 7202 1 9 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.976 -0.138 18976 7203 1 9 . 1 1 52 52 GLN C C 52 178.518 178.518 177.676 0.842 18976 7204 1 9 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.992 -0.795 18976 7205 1 9 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.037 -0.133 18976 7206 1 9 . 1 1 52 52 GLN H H 52 8.212 8.212 8.454 -0.242 18976 7207 1 9 . 1 1 53 53 ASP N N 53 119.922 119.922 119.497 0.425 18976 7208 1 9 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.544 -0.114 18976 7209 1 9 . 1 1 53 53 ASP C C 53 178.635 178.635 178.364 0.271 18976 7210 1 9 . 1 1 53 53 ASP CA C 53 57.262 57.262 56.712 0.550 18976 7211 1 9 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.808 -0.846 18976 7212 1 9 . 1 1 53 53 ASP H H 53 8.108 8.108 7.686 0.422 18976 7213 1 9 . 1 1 54 54 MET N N 54 119.290 119.290 117.819 1.471 18976 7214 1 9 . 1 1 54 54 MET HA H 54 4.044 4.044 4.503 -0.459 18976 7215 1 9 . 1 1 54 54 MET C C 54 178.876 178.876 178.310 0.566 18976 7216 1 9 . 1 1 54 54 MET CA C 54 59.108 59.108 58.661 0.447 18976 7217 1 9 . 1 1 54 54 MET CB C 54 32.930 32.930 32.958 -0.028 18976 7218 1 9 . 1 1 54 54 MET H H 54 7.865 7.865 7.335 0.530 18976 7219 1 9 . 1 1 55 55 ILE N N 55 118.056 118.056 120.097 -2.041 18976 7220 1 9 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.691 -0.176 18976 7221 1 9 . 1 1 55 55 ILE C C 55 177.760 177.760 177.467 0.293 18976 7222 1 9 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.760 -0.280 18976 7223 1 9 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.133 -1.153 18976 7224 1 9 . 1 1 55 55 ILE H H 55 7.710 7.710 7.738 -0.028 18976 7225 1 9 . 1 1 56 56 ASN N N 56 117.688 117.688 117.580 0.108 18976 7226 1 9 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.382 0.010 18976 7227 1 9 . 1 1 56 56 ASN C C 56 177.393 177.393 176.581 0.812 18976 7228 1 9 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.084 -0.498 18976 7229 1 9 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.362 -0.707 18976 7230 1 9 . 1 1 56 56 ASN H H 56 8.606 8.606 8.318 0.288 18976 7231 1 9 . 1 1 57 57 GLU N N 57 116.316 116.316 117.849 -1.533 18976 7232 1 9 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.135 -0.092 18976 7233 1 9 . 1 1 57 57 GLU C C 57 177.569 177.569 178.169 -0.600 18976 7234 1 9 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.653 -0.021 18976 7235 1 9 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.720 0.379 18976 7236 1 9 . 1 1 57 57 GLU H H 57 7.580 7.580 7.760 -0.180 18976 7237 1 9 . 1 1 58 58 VAL N N 58 108.390 108.390 113.615 -5.225 18976 7238 1 9 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.131 0.351 18976 7239 1 9 . 1 1 58 58 VAL C C 58 175.749 175.749 175.877 -0.128 18976 7240 1 9 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.078 -1.661 18976 7241 1 9 . 1 1 58 58 VAL CB C 58 32.366 32.366 31.845 0.521 18976 7242 1 9 . 1 1 58 58 VAL H H 58 7.219 7.219 7.426 -0.207 18976 7243 1 9 . 1 1 59 59 ASP N N 59 121.728 121.728 121.040 0.688 18976 7244 1 9 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.850 -0.208 18976 7245 1 9 . 1 1 59 59 ASP C C 59 176.219 176.219 175.937 0.282 18976 7246 1 9 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.654 -1.186 18976 7247 1 9 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.580 -1.715 18976 7248 1 9 . 1 1 59 59 ASP H H 59 7.674 7.674 7.793 -0.119 18976 7249 1 9 . 1 1 60 60 ALA N N 60 109.214 109.214 131.050 -21.836 18976 7250 1 9 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.174 0.042 18976 7251 1 9 . 1 1 60 60 ALA C C 60 178.626 178.626 178.510 0.116 18976 7252 1 9 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.972 0.013 18976 7253 1 9 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.839 -0.693 18976 7254 1 9 . 1 1 60 60 ALA H H 60 8.481 8.481 8.460 0.021 18976 7255 1 9 . 1 1 61 61 ASP N N 61 113.667 113.667 116.420 -2.753 18976 7256 1 9 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.544 0.079 18976 7257 1 9 . 1 1 61 61 ASP C C 61 177.848 177.848 177.736 0.112 18976 7258 1 9 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.704 -1.293 18976 7259 1 9 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.864 -1.313 18976 7260 1 9 . 1 1 61 61 ASP H H 61 8.158 8.158 7.985 0.173 18976 7261 1 9 . 1 1 62 62 GLY N N 62 108.314 108.314 108.967 -0.653 18976 7262 1 9 . 1 1 62 62 GLY C C 62 174.933 174.933 175.438 -0.505 18976 7263 1 9 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.857 1.085 18976 7264 1 9 . 1 1 62 62 GLY H H 62 7.585 7.585 8.330 -0.745 18976 7265 1 9 . 1 1 63 63 ASN N N 63 118.384 118.384 118.742 -0.358 18976 7266 1 9 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.652 0.005 18976 7267 1 9 . 1 1 63 63 ASN C C 63 176.835 176.835 176.566 0.269 18976 7268 1 9 . 1 1 63 63 ASN CA C 63 52.223 52.223 53.004 -0.781 18976 7269 1 9 . 1 1 63 63 ASN CB C 63 37.366 37.366 38.992 -1.626 18976 7270 1 9 . 1 1 63 63 ASN H H 63 8.086 8.086 8.510 -0.424 18976 7271 1 9 . 1 1 64 64 GLY N N 64 113.412 113.412 110.000 3.412 18976 7272 1 9 . 1 1 64 64 GLY C C 64 173.254 173.254 173.379 -0.125 18976 7273 1 9 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.438 -0.041 18976 7274 1 9 . 1 1 64 64 GLY H H 64 10.618 10.618 8.168 2.450 18976 7275 1 9 . 1 1 65 65 THR N N 65 108.877 108.877 113.439 -4.562 18976 7276 1 9 . 1 1 65 65 THR HA H 65 4.766 4.766 4.700 0.066 18976 7277 1 9 . 1 1 65 65 THR C C 65 173.195 173.195 173.227 -0.032 18976 7278 1 9 . 1 1 65 65 THR CA C 65 59.301 59.301 61.207 -1.906 18976 7279 1 9 . 1 1 65 65 THR CB C 65 71.695 71.695 72.404 -0.709 18976 7280 1 9 . 1 1 65 65 THR H H 65 7.684 7.684 8.028 -0.344 18976 7281 1 9 . 1 1 66 66 ILE N N 66 123.673 123.673 124.426 -0.753 18976 7282 1 9 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.534 0.656 18976 7283 1 9 . 1 1 66 66 ILE C C 66 175.529 175.529 175.510 0.019 18976 7284 1 9 . 1 1 66 66 ILE CA C 66 59.684 59.684 60.965 -1.281 18976 7285 1 9 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.183 0.234 18976 7286 1 9 . 1 1 66 66 ILE H H 66 8.912 8.912 8.324 0.588 18976 7287 1 9 . 1 1 67 67 ASP N N 67 128.135 128.135 126.710 1.425 18976 7288 1 9 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.120 0.264 18976 7289 1 9 . 1 1 67 67 ASP C C 67 176.322 176.322 176.506 -0.184 18976 7290 1 9 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.278 -1.435 18976 7291 1 9 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.946 -1.159 18976 7292 1 9 . 1 1 67 67 ASP H H 67 8.824 8.824 8.566 0.258 18976 7293 1 9 . 1 1 68 68 PHE N N 68 118.627 118.627 122.562 -3.935 18976 7294 1 9 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.669 0.355 18976 7295 1 9 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.115 1.055 18976 7296 1 9 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.785 -1.185 18976 7297 1 9 . 1 1 68 68 PHE H H 68 8.943 8.943 8.998 -0.055 18976 7298 1 9 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.903 -0.027 18976 7299 1 9 . 1 1 69 69 PRO C C 69 180.037 180.037 178.557 1.480 18976 7300 1 9 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.433 0.959 18976 7301 1 9 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.889 -0.515 18976 7302 1 9 . 1 1 70 70 GLU N N 70 117.615 117.615 118.030 -0.415 18976 7303 1 9 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.193 -0.085 18976 7304 1 9 . 1 1 70 70 GLU C C 70 178.773 178.773 178.473 0.300 18976 7305 1 9 . 1 1 70 70 GLU CA C 70 58.566 58.566 57.965 0.601 18976 7306 1 9 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.537 -0.511 18976 7307 1 9 . 1 1 70 70 GLU H H 70 7.969 7.969 7.695 0.274 18976 7308 1 9 . 1 1 71 71 PHE N N 71 123.460 123.460 122.299 1.161 18976 7309 1 9 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.165 -0.191 18976 7310 1 9 . 1 1 71 71 PHE C C 71 177.041 177.041 176.474 0.567 18976 7311 1 9 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.231 -0.204 18976 7312 1 9 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.299 0.408 18976 7313 1 9 . 1 1 71 71 PHE H H 71 8.861 8.861 7.837 1.024 18976 7314 1 9 . 1 1 72 72 LEU N N 72 118.749 118.749 118.130 0.619 18976 7315 1 9 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.312 0.056 18976 7316 1 9 . 1 1 72 72 LEU C C 72 178.949 178.949 178.999 -0.050 18976 7317 1 9 . 1 1 72 72 LEU CA C 72 57.596 57.596 58.114 -0.518 18976 7318 1 9 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.148 0.594 18976 7319 1 9 . 1 1 72 72 LEU H H 72 8.411 8.411 7.411 1.000 18976 7320 1 9 . 1 1 73 73 THR N N 73 115.213 115.213 109.239 5.974 18976 7321 1 9 . 1 1 73 73 THR HA H 73 3.753 3.753 3.819 -0.066 18976 7322 1 9 . 1 1 73 73 THR C C 73 175.955 175.955 176.408 -0.453 18976 7323 1 9 . 1 1 73 73 THR CA C 73 66.313 66.313 64.887 1.426 18976 7324 1 9 . 1 1 73 73 THR CB C 73 68.075 68.075 68.812 -0.737 18976 7325 1 9 . 1 1 73 73 THR H H 73 7.522 7.522 7.728 -0.206 18976 7326 1 9 . 1 1 74 74 MET N N 74 121.455 121.455 123.089 -1.634 18976 7327 1 9 . 1 1 74 74 MET HA H 74 3.773 3.773 4.148 -0.375 18976 7328 1 9 . 1 1 74 74 MET C C 74 178.098 178.098 178.273 -0.175 18976 7329 1 9 . 1 1 74 74 MET CA C 74 58.603 58.603 57.773 0.830 18976 7330 1 9 . 1 1 74 74 MET CB C 74 32.905 32.905 32.477 0.428 18976 7331 1 9 . 1 1 74 74 MET H H 74 7.783 7.783 7.622 0.161 18976 7332 1 9 . 1 1 75 75 MET N N 75 116.557 116.557 116.008 0.549 18976 7333 1 9 . 1 1 75 75 MET HA H 75 3.998 3.998 4.040 -0.042 18976 7334 1 9 . 1 1 75 75 MET C C 75 178.700 178.700 177.500 1.200 18976 7335 1 9 . 1 1 75 75 MET CA C 75 55.472 55.472 58.586 -3.114 18976 7336 1 9 . 1 1 75 75 MET CB C 75 30.693 30.693 31.637 -0.944 18976 7337 1 9 . 1 1 75 75 MET H H 75 8.077 8.077 8.123 -0.046 18976 7338 1 9 . 1 1 76 76 ALA N N 76 122.410 122.410 121.520 0.890 18976 7339 1 9 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.970 0.119 18976 7340 1 9 . 1 1 76 76 ALA C C 76 179.683 179.683 178.125 1.558 18976 7341 1 9 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.527 -0.151 18976 7342 1 9 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.226 -0.447 18976 7343 1 9 . 1 1 76 76 ALA H H 76 8.303 8.303 7.454 0.850 18976 7344 1 9 . 1 1 77 77 ARG N N 77 116.451 116.451 116.629 -0.178 18976 7345 1 9 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.137 -0.035 18976 7346 1 9 . 1 1 77 77 ARG C C 77 177.701 177.701 177.192 0.509 18976 7347 1 9 . 1 1 77 77 ARG CA C 77 58.042 58.042 57.964 0.078 18976 7348 1 9 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.414 -0.406 18976 7349 1 9 . 1 1 77 77 ARG H H 77 7.622 7.622 7.639 -0.017 18976 7350 1 9 . 1 1 78 78 LYS N N 78 118.021 118.021 118.228 -0.207 18976 7351 1 9 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.220 0.019 18976 7352 1 9 . 1 1 78 78 LYS C C 78 177.525 177.525 178.712 -1.187 18976 7353 1 9 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.096 -1.375 18976 7354 1 9 . 1 1 78 78 LYS CB C 78 32.213 32.213 33.006 -0.793 18976 7355 1 9 . 1 1 78 78 LYS H H 78 7.577 7.577 7.306 0.271 18976 7356 1 9 . 1 1 79 79 MET N N 79 118.929 118.929 119.371 -0.442 18976 7357 1 9 . 1 1 79 79 MET HA H 79 4.351 4.351 4.274 0.077 18976 7358 1 9 . 1 1 79 79 MET C C 79 176.322 176.322 177.453 -1.131 18976 7359 1 9 . 1 1 79 79 MET CA C 79 56.345 56.345 57.552 -1.207 18976 7360 1 9 . 1 1 79 79 MET CB C 79 32.946 32.946 32.210 0.736 18976 7361 1 9 . 1 1 79 79 MET H H 79 7.772 7.772 8.133 -0.361 18976 7362 1 9 . 1 1 80 80 LYS N N 80 120.686 120.686 120.758 -0.072 18976 7363 1 9 . 1 1 80 80 LYS HA H 80 4.327 4.327 3.852 0.475 18976 7364 1 9 . 1 1 80 80 LYS C C 80 176.395 176.395 178.719 -2.324 18976 7365 1 9 . 1 1 80 80 LYS CA C 80 56.144 56.144 60.214 -4.070 18976 7366 1 9 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.786 1.022 18976 7367 1 9 . 1 1 80 80 LYS H H 80 7.955 7.955 8.169 -0.214 18976 7368 1 9 . 1 1 81 81 ASP N N 81 121.721 121.721 116.717 5.004 18976 7369 1 9 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.460 0.229 18976 7370 1 9 . 1 1 81 81 ASP C C 81 176.644 176.644 177.907 -1.263 18976 7371 1 9 . 1 1 81 81 ASP CA C 81 54.286 54.286 56.881 -2.595 18976 7372 1 9 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.664 0.128 18976 7373 1 9 . 1 1 81 81 ASP H H 81 8.341 8.341 8.130 0.211 18976 7374 1 9 . 1 1 82 82 THR N N 82 114.594 114.594 114.235 0.359 18976 7375 1 9 . 1 1 82 82 THR HA H 82 4.323 4.323 4.225 0.098 18976 7376 1 9 . 1 1 82 82 THR C C 82 174.584 174.584 175.878 -1.294 18976 7377 1 9 . 1 1 82 82 THR CA C 82 61.955 61.955 65.930 -3.975 18976 7378 1 9 . 1 1 82 82 THR CB C 82 69.586 69.586 69.070 0.516 18976 7379 1 9 . 1 1 82 82 THR H H 82 8.123 8.123 8.097 0.026 18976 7380 1 9 . 1 1 83 83 ASP N N 83 123.126 123.126 120.865 2.261 18976 7381 1 9 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.735 -0.036 18976 7382 1 9 . 1 1 83 83 ASP C C 83 176.674 176.674 177.888 -1.214 18976 7383 1 9 . 1 1 83 83 ASP CA C 83 54.491 54.491 55.218 -0.727 18976 7384 1 9 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.921 0.119 18976 7385 1 9 . 1 1 83 83 ASP H H 83 8.439 8.439 8.206 0.233 18976 7386 1 9 . 1 1 84 84 SER N N 84 116.982 116.982 116.051 0.931 18976 7387 1 9 . 1 1 84 84 SER HA H 84 4.458 4.458 4.180 0.278 18976 7388 1 9 . 1 1 84 84 SER C C 84 175.393 175.393 175.966 -0.573 18976 7389 1 9 . 1 1 84 84 SER CA C 84 58.943 58.943 61.513 -2.570 18976 7390 1 9 . 1 1 84 84 SER CB C 84 63.550 63.550 62.775 0.775 18976 7391 1 9 . 1 1 84 84 SER H H 84 8.418 8.418 8.249 0.169 18976 7392 1 9 . 1 1 85 85 GLU N N 85 122.632 122.632 120.434 2.198 18976 7393 1 9 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.035 0.176 18976 7394 1 9 . 1 1 85 85 GLU C C 85 177.716 177.716 178.662 -0.946 18976 7395 1 9 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.172 -0.633 18976 7396 1 9 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.981 0.246 18976 7397 1 9 . 1 1 85 85 GLU H H 85 8.504 8.504 7.781 0.723 18976 7398 1 9 . 1 1 86 86 GLU N N 86 119.077 119.077 120.331 -1.254 18976 7399 1 9 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.091 -0.030 18976 7400 1 9 . 1 1 86 86 GLU C C 86 178.885 178.885 178.641 0.244 18976 7401 1 9 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.766 0.599 18976 7402 1 9 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.526 -0.460 18976 7403 1 9 . 1 1 86 86 GLU H H 86 8.333 8.333 7.726 0.607 18976 7404 1 9 . 1 1 87 87 GLU N N 87 119.138 119.138 119.881 -0.743 18976 7405 1 9 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.117 0.029 18976 7406 1 9 . 1 1 87 87 GLU C C 87 179.823 179.823 179.037 0.786 18976 7407 1 9 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.997 -0.087 18976 7408 1 9 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.792 -0.526 18976 7409 1 9 . 1 1 87 87 GLU H H 87 8.130 8.130 7.561 0.569 18976 7410 1 9 . 1 1 88 88 LEU N N 88 122.103 122.103 120.715 1.388 18976 7411 1 9 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.222 0.169 18976 7412 1 9 . 1 1 88 88 LEU C C 88 178.905 178.905 178.615 0.290 18976 7413 1 9 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.538 0.178 18976 7414 1 9 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.874 -0.013 18976 7415 1 9 . 1 1 88 88 LEU H H 88 8.152 8.152 8.229 -0.077 18976 7416 1 9 . 1 1 89 89 ARG N N 89 120.092 120.092 118.736 1.356 18976 7417 1 9 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.035 0.015 18976 7418 1 9 . 1 1 89 89 ARG C C 89 179.507 179.507 178.763 0.744 18976 7419 1 9 . 1 1 89 89 ARG CA C 89 59.411 59.411 60.127 -0.716 18976 7420 1 9 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.801 -0.341 18976 7421 1 9 . 1 1 89 89 ARG H H 89 8.499 8.499 7.832 0.667 18976 7422 1 9 . 1 1 90 90 GLU N N 90 119.315 119.315 119.671 -0.356 18976 7423 1 9 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.151 0.016 18976 7424 1 9 . 1 1 90 90 GLU C C 90 178.068 178.068 178.075 -0.007 18976 7425 1 9 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.074 -0.484 18976 7426 1 9 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.678 -0.749 18976 7427 1 9 . 1 1 90 90 GLU H H 90 8.040 8.040 7.624 0.416 18976 7428 1 9 . 1 1 91 91 ALA N N 91 121.794 121.794 122.293 -0.499 18976 7429 1 9 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.169 0.042 18976 7430 1 9 . 1 1 91 91 ALA C C 91 179.855 179.855 179.628 0.227 18976 7431 1 9 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.881 -0.155 18976 7432 1 9 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.209 -0.639 18976 7433 1 9 . 1 1 91 91 ALA H H 91 7.996 7.996 7.914 0.082 18976 7434 1 9 . 1 1 92 92 PHE N N 92 119.368 119.368 119.452 -0.084 18976 7435 1 9 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.824 -0.694 18976 7436 1 9 . 1 1 92 92 PHE C C 92 176.454 176.454 177.121 -0.667 18976 7437 1 9 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.419 -0.187 18976 7438 1 9 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.933 -0.006 18976 7439 1 9 . 1 1 92 92 PHE H H 92 8.360 8.360 8.310 0.050 18976 7440 1 9 . 1 1 93 93 ARG N N 93 117.178 117.178 118.580 -1.402 18976 7441 1 9 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.930 -0.065 18976 7442 1 9 . 1 1 93 93 ARG C C 93 178.421 178.421 177.939 0.482 18976 7443 1 9 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.163 -0.322 18976 7444 1 9 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.196 -0.290 18976 7445 1 9 . 1 1 93 93 ARG H H 93 7.895 7.895 7.513 0.382 18976 7446 1 9 . 1 1 94 94 VAL N N 94 115.719 115.719 117.783 -2.064 18976 7447 1 9 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.668 -0.068 18976 7448 1 9 . 1 1 94 94 VAL C C 94 177.334 177.334 177.888 -0.554 18976 7449 1 9 . 1 1 94 94 VAL CA C 94 65.032 65.032 66.170 -1.138 18976 7450 1 9 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.639 -0.095 18976 7451 1 9 . 1 1 94 94 VAL H H 94 7.541 7.541 8.143 -0.602 18976 7452 1 9 . 1 1 95 95 GLU N N 95 117.921 117.921 116.988 0.933 18976 7453 1 9 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.026 -0.018 18976 7454 1 9 . 1 1 95 95 GLU C C 95 176.953 176.953 176.482 0.471 18976 7455 1 9 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.280 -0.024 18976 7456 1 9 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.916 -1.229 18976 7457 1 9 . 1 1 95 95 GLU H H 95 7.011 7.011 7.544 -0.533 18976 7458 1 9 . 1 1 96 96 ASP N N 96 117.365 117.365 118.955 -1.590 18976 7459 1 9 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.694 -0.244 18976 7460 1 9 . 1 1 96 96 ASP C C 96 177.202 177.202 176.569 0.633 18976 7461 1 9 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.334 -1.861 18976 7462 1 9 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.354 -2.280 18976 7463 1 9 . 1 1 96 96 ASP H H 96 7.626 7.626 7.638 -0.012 18976 7464 1 9 . 1 1 97 97 LYS N N 97 124.733 124.733 125.771 -1.038 18976 7465 1 9 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.144 -0.243 18976 7466 1 9 . 1 1 97 97 LYS C C 97 178.333 178.333 177.791 0.542 18976 7467 1 9 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.837 0.768 18976 7468 1 9 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.423 0.007 18976 7469 1 9 . 1 1 97 97 LYS H H 97 7.357 7.357 8.137 -0.780 18976 7470 1 9 . 1 1 98 98 ASP N N 98 114.048 114.048 116.567 -2.519 18976 7471 1 9 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.544 0.024 18976 7472 1 9 . 1 1 98 98 ASP C C 98 177.775 177.775 177.462 0.313 18976 7473 1 9 . 1 1 98 98 ASP CA C 98 52.657 52.657 53.860 -1.203 18976 7474 1 9 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.288 -0.695 18976 7475 1 9 . 1 1 98 98 ASP H H 98 8.352 8.352 7.882 0.470 18976 7476 1 9 . 1 1 99 99 GLY N N 99 109.454 109.454 109.530 -0.076 18976 7477 1 9 . 1 1 99 99 GLY C C 99 175.082 175.082 174.477 0.605 18976 7478 1 9 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.728 1.099 18976 7479 1 9 . 1 1 99 99 GLY H H 99 7.828 7.828 8.067 -0.239 18976 7480 1 9 . 1 1 100 100 ASN N N 100 119.607 119.607 117.833 1.774 18976 7481 1 9 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.726 -0.091 18976 7482 1 9 . 1 1 100 100 ASN C C 100 175.969 175.969 176.288 -0.319 18976 7483 1 9 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.054 -0.571 18976 7484 1 9 . 1 1 100 100 ASN CB C 100 37.881 37.881 40.100 -2.219 18976 7485 1 9 . 1 1 100 100 ASN H H 100 8.334 8.334 8.394 -0.060 18976 7486 1 9 . 1 1 101 101 GLY N N 101 113.007 113.007 107.791 5.216 18976 7487 1 9 . 1 1 101 101 GLY C C 101 172.314 172.314 172.610 -0.296 18976 7488 1 9 . 1 1 101 101 GLY CA C 101 44.682 44.682 44.896 -0.214 18976 7489 1 9 . 1 1 101 101 GLY H H 101 10.640 10.640 8.927 1.713 18976 7490 1 9 . 1 1 102 102 TYR N N 102 115.913 115.913 117.700 -1.787 18976 7491 1 9 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.459 -0.273 18976 7492 1 9 . 1 1 102 102 TYR C C 102 174.736 174.736 175.071 -0.335 18976 7493 1 9 . 1 1 102 102 TYR CA C 102 55.662 55.662 55.936 -0.274 18976 7494 1 9 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.926 1.875 18976 7495 1 9 . 1 1 102 102 TYR H H 102 7.610 7.610 8.053 -0.443 18976 7496 1 9 . 1 1 103 103 ILE N N 103 127.698 127.698 123.779 3.919 18976 7497 1 9 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.277 0.539 18976 7498 1 9 . 1 1 103 103 ILE C C 103 175.634 175.634 175.915 -0.281 18976 7499 1 9 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.192 0.246 18976 7500 1 9 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.334 -0.415 18976 7501 1 9 . 1 1 103 103 ILE H H 103 10.228 10.228 8.265 1.963 18976 7502 1 9 . 1 1 104 104 SER N N 104 123.581 123.581 121.528 2.053 18976 7503 1 9 . 1 1 104 104 SER HA H 104 4.849 4.849 4.963 -0.114 18976 7504 1 9 . 1 1 104 104 SER C C 104 175.191 175.191 175.514 -0.323 18976 7505 1 9 . 1 1 104 104 SER CA C 104 55.499 55.499 55.180 0.319 18976 7506 1 9 . 1 1 104 104 SER CB C 104 66.371 66.371 65.616 0.755 18976 7507 1 9 . 1 1 104 104 SER H H 104 8.947 8.947 7.704 1.243 18976 7508 1 9 . 1 1 105 105 ALA N N 105 122.829 122.829 126.332 -3.503 18976 7509 1 9 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.018 -0.089 18976 7510 1 9 . 1 1 105 105 ALA C C 105 179.272 179.272 178.777 0.495 18976 7511 1 9 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.336 0.324 18976 7512 1 9 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.583 -0.900 18976 7513 1 9 . 1 1 105 105 ALA H H 105 9.251 9.251 9.190 0.061 18976 7514 1 9 . 1 1 106 106 ALA N N 106 118.442 118.442 120.889 -2.447 18976 7515 1 9 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.928 0.109 18976 7516 1 9 . 1 1 106 106 ALA C C 106 181.180 181.180 179.165 2.015 18976 7517 1 9 . 1 1 106 106 ALA CA C 106 54.841 54.841 55.090 -0.249 18976 7518 1 9 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.401 -0.358 18976 7519 1 9 . 1 1 106 106 ALA H H 106 8.209 8.209 7.565 0.644 18976 7520 1 9 . 1 1 107 107 GLU N N 107 118.406 118.406 118.440 -0.034 18976 7521 1 9 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.982 0.010 18976 7522 1 9 . 1 1 107 107 GLU C C 107 179.272 179.272 179.097 0.175 18976 7523 1 9 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.097 0.044 18976 7524 1 9 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.185 -0.429 18976 7525 1 9 . 1 1 107 107 GLU H H 107 7.752 7.752 7.822 -0.070 18976 7526 1 9 . 1 1 108 108 LEU N N 108 122.413 122.413 120.130 2.283 18976 7527 1 9 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.948 0.124 18976 7528 1 9 . 1 1 108 108 LEU C C 108 178.553 178.553 178.824 -0.271 18976 7529 1 9 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.999 -0.707 18976 7530 1 9 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.586 -0.143 18976 7531 1 9 . 1 1 108 108 LEU H H 108 8.793 8.793 8.184 0.609 18976 7532 1 9 . 1 1 109 109 ARG N N 109 118.074 118.074 118.631 -0.557 18976 7533 1 9 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.957 -0.100 18976 7534 1 9 . 1 1 109 109 ARG C C 109 179.140 179.140 179.234 -0.094 18976 7535 1 9 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.541 0.245 18976 7536 1 9 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.084 -0.260 18976 7537 1 9 . 1 1 109 109 ARG H H 109 8.421 8.421 7.877 0.544 18976 7538 1 9 . 1 1 110 110 ILE N N 110 120.191 120.191 119.758 0.433 18976 7539 1 9 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.986 -0.199 18976 7540 1 9 . 1 1 110 110 ILE C C 110 177.804 177.804 177.558 0.246 18976 7541 1 9 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.769 0.784 18976 7542 1 9 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.403 -0.345 18976 7543 1 9 . 1 1 110 110 ILE H H 110 7.401 7.401 7.509 -0.108 18976 7544 1 9 . 1 1 111 111 VAL N N 111 120.330 120.330 120.934 -0.604 18976 7545 1 9 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.674 0.089 18976 7546 1 9 . 1 1 111 111 VAL C C 111 178.802 178.802 177.281 1.521 18976 7547 1 9 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.728 -0.038 18976 7548 1 9 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.128 -0.536 18976 7549 1 9 . 1 1 111 111 VAL H H 111 7.907 7.907 7.618 0.289 18976 7550 1 9 . 1 1 112 112 MET N N 112 116.794 116.794 117.464 -0.670 18976 7551 1 9 . 1 1 112 112 MET HA H 112 4.396 4.396 4.322 0.074 18976 7552 1 9 . 1 1 112 112 MET C C 112 178.890 178.890 177.840 1.050 18976 7553 1 9 . 1 1 112 112 MET CA C 112 56.719 56.719 57.069 -0.350 18976 7554 1 9 . 1 1 112 112 MET CB C 112 30.384 30.384 31.467 -1.083 18976 7555 1 9 . 1 1 112 112 MET H H 112 8.355 8.355 8.456 -0.101 18976 7556 1 9 . 1 1 113 113 THR N N 113 117.282 117.282 109.756 7.526 18976 7557 1 9 . 1 1 113 113 THR HA H 113 4.187 4.187 4.073 0.114 18976 7558 1 9 . 1 1 113 113 THR C C 113 178.112 178.112 176.543 1.569 18976 7559 1 9 . 1 1 113 113 THR CA C 113 65.902 65.902 65.013 0.889 18976 7560 1 9 . 1 1 113 113 THR CB C 113 68.642 68.642 68.717 -0.075 18976 7561 1 9 . 1 1 113 113 THR H H 113 8.314 8.314 7.628 0.686 18976 7562 1 9 . 1 1 114 114 ASN N N 114 122.220 122.220 119.688 2.532 18976 7563 1 9 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.550 0.042 18976 7564 1 9 . 1 1 114 114 ASN C C 114 176.644 176.644 177.011 -0.367 18976 7565 1 9 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.131 0.023 18976 7566 1 9 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.885 -1.289 18976 7567 1 9 . 1 1 114 114 ASN H H 114 8.483 8.483 7.627 0.856 18976 7568 1 9 . 1 1 115 115 ARG N N 115 117.970 117.970 118.171 -0.201 18976 7569 1 9 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.330 0.099 18976 7570 1 9 . 1 1 115 115 ARG C C 115 176.366 176.366 176.940 -0.574 18976 7571 1 9 . 1 1 115 115 ARG CA C 115 56.399 56.399 57.062 -0.663 18976 7572 1 9 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.479 0.021 18976 7573 1 9 . 1 1 115 115 ARG H H 115 7.776 7.776 8.176 -0.400 18976 7574 1 9 . 1 1 116 116 GLY N N 116 107.547 107.547 106.374 1.173 18976 7575 1 9 . 1 1 116 116 GLY C C 116 174.384 174.384 174.448 -0.064 18976 7576 1 9 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.312 -0.105 18976 7577 1 9 . 1 1 116 116 GLY H H 116 7.968 7.968 7.770 0.198 18976 7578 1 9 . 1 1 117 117 GLU N N 117 119.975 119.975 122.132 -2.157 18976 7579 1 9 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.307 0.099 18976 7580 1 9 . 1 1 117 117 GLU C C 117 175.558 175.558 175.672 -0.114 18976 7581 1 9 . 1 1 117 117 GLU CA C 117 55.177 55.177 55.309 -0.132 18976 7582 1 9 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.255 2.145 18976 7583 1 9 . 1 1 117 117 GLU H H 117 7.934 7.934 8.350 -0.416 18976 7584 1 9 . 1 1 118 118 LYS N N 118 124.035 124.035 123.210 0.825 18976 7585 1 9 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.086 0.318 18976 7586 1 9 . 1 1 118 118 LYS C C 118 175.441 175.441 175.854 -0.413 18976 7587 1 9 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.941 -1.674 18976 7588 1 9 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.817 -0.967 18976 7589 1 9 . 1 1 118 118 LYS H H 118 8.626 8.626 7.715 0.911 18976 7590 1 9 . 1 1 119 119 LEU N N 119 124.745 124.745 126.804 -2.059 18976 7591 1 9 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.620 0.150 18976 7592 1 9 . 1 1 119 119 LEU C C 119 178.127 178.127 176.805 1.322 18976 7593 1 9 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.087 0.752 18976 7594 1 9 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.759 -0.436 18976 7595 1 9 . 1 1 119 119 LEU H H 119 8.140 8.140 8.230 -0.090 18976 7596 1 9 . 1 1 120 120 THR N N 120 114.555 114.555 117.317 -2.762 18976 7597 1 9 . 1 1 120 120 THR HA H 120 4.477 4.477 4.139 0.338 18976 7598 1 9 . 1 1 120 120 THR C C 120 175.514 175.514 175.135 0.379 18976 7599 1 9 . 1 1 120 120 THR CA C 120 60.613 60.613 62.506 -1.893 18976 7600 1 9 . 1 1 120 120 THR CB C 120 70.902 70.902 69.846 1.056 18976 7601 1 9 . 1 1 120 120 THR H H 120 9.220 9.220 8.354 0.866 18976 7602 1 9 . 1 1 121 121 ASP N N 121 121.128 121.128 121.415 -0.287 18976 7603 1 9 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.270 -0.042 18976 7604 1 9 . 1 1 121 121 ASP C C 121 178.655 178.655 178.285 0.370 18976 7605 1 9 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.873 -0.121 18976 7606 1 9 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.740 -1.425 18976 7607 1 9 . 1 1 121 121 ASP H H 121 8.921 8.921 8.754 0.167 18976 7608 1 9 . 1 1 122 122 GLU N N 122 119.266 119.266 117.822 1.444 18976 7609 1 9 . 1 1 122 122 GLU HA H 122 4.119 4.119 3.983 0.136 18976 7610 1 9 . 1 1 122 122 GLU C C 122 179.184 179.184 178.333 0.851 18976 7611 1 9 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.013 0.759 18976 7612 1 9 . 1 1 122 122 GLU CB C 122 28.866 28.866 28.756 0.110 18976 7613 1 9 . 1 1 122 122 GLU H H 122 8.712 8.712 8.467 0.245 18976 7614 1 9 . 1 1 123 123 GLU N N 123 120.455 120.455 119.154 1.301 18976 7615 1 9 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.164 -0.141 18976 7616 1 9 . 1 1 123 123 GLU C C 123 180.123 180.123 179.244 0.879 18976 7617 1 9 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.965 0.125 18976 7618 1 9 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.243 0.970 18976 7619 1 9 . 1 1 123 123 GLU H H 123 7.763 7.763 8.286 -0.523 18976 7620 1 9 . 1 1 124 124 VAL N N 124 121.726 121.726 115.684 6.042 18976 7621 1 9 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.682 -0.075 18976 7622 1 9 . 1 1 124 124 VAL C C 124 177.337 177.337 177.515 -0.178 18976 7623 1 9 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.211 0.521 18976 7624 1 9 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.385 -0.343 18976 7625 1 9 . 1 1 124 124 VAL H H 124 8.119 8.119 8.254 -0.135 18976 7626 1 9 . 1 1 125 125 ASP N N 125 119.880 119.880 119.960 -0.080 18976 7627 1 9 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.405 -0.054 18976 7628 1 9 . 1 1 125 125 ASP C C 125 179.323 179.323 178.079 1.244 18976 7629 1 9 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.261 0.114 18976 7630 1 9 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.831 -0.719 18976 7631 1 9 . 1 1 125 125 ASP H H 125 8.051 8.051 7.733 0.318 18976 7632 1 9 . 1 1 126 126 GLU N N 126 119.798 119.798 119.525 0.273 18976 7633 1 9 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.107 -0.086 18976 7634 1 9 . 1 1 126 126 GLU C C 126 177.966 177.966 179.098 -1.132 18976 7635 1 9 . 1 1 126 126 GLU CA C 126 58.973 58.973 58.870 0.103 18976 7636 1 9 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.266 -0.182 18976 7637 1 9 . 1 1 126 126 GLU H H 126 8.047 8.047 7.824 0.223 18976 7638 1 9 . 1 1 127 127 MET N N 127 119.443 119.443 118.708 0.735 18976 7639 1 9 . 1 1 127 127 MET HA H 127 4.137 4.137 4.256 -0.119 18976 7640 1 9 . 1 1 127 127 MET C C 127 179.859 179.859 178.852 1.007 18976 7641 1 9 . 1 1 127 127 MET CA C 127 59.137 59.137 57.440 1.697 18976 7642 1 9 . 1 1 127 127 MET CB C 127 32.239 32.239 31.936 0.303 18976 7643 1 9 . 1 1 127 127 MET H H 127 7.795 7.795 7.749 0.046 18976 7644 1 9 . 1 1 128 128 ILE N N 128 120.667 120.667 119.765 0.902 18976 7645 1 9 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.699 -0.178 18976 7646 1 9 . 1 1 128 128 ILE C C 128 177.657 177.657 178.454 -0.797 18976 7647 1 9 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.246 -0.434 18976 7648 1 9 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.668 -0.681 18976 7649 1 9 . 1 1 128 128 ILE H H 128 8.158 8.158 8.176 -0.018 18976 7650 1 9 . 1 1 129 129 ARG N N 129 119.725 119.725 117.429 2.296 18976 7651 1 9 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.107 -0.038 18976 7652 1 9 . 1 1 129 129 ARG C C 129 178.920 178.920 178.118 0.802 18976 7653 1 9 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.587 1.028 18976 7654 1 9 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.209 -0.327 18976 7655 1 9 . 1 1 129 129 ARG H H 129 8.270 8.270 7.683 0.587 18976 7656 1 9 . 1 1 130 130 GLU N N 130 115.236 115.236 117.102 -1.866 18976 7657 1 9 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.127 -0.033 18976 7658 1 9 . 1 1 130 130 GLU C C 130 177.349 177.349 177.549 -0.200 18976 7659 1 9 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.765 -0.865 18976 7660 1 9 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.359 0.464 18976 7661 1 9 . 1 1 130 130 GLU H H 130 7.953 7.953 7.924 0.029 18976 7662 1 9 . 1 1 131 131 THR N N 131 112.585 112.585 110.597 1.988 18976 7663 1 9 . 1 1 131 131 THR HA H 131 4.239 4.239 4.345 -0.106 18976 7664 1 9 . 1 1 131 131 THR C C 131 174.149 174.149 172.918 1.231 18976 7665 1 9 . 1 1 131 131 THR CA C 131 62.887 62.887 62.805 0.082 18976 7666 1 9 . 1 1 131 131 THR CB C 131 69.337 69.337 70.007 -0.670 18976 7667 1 9 . 1 1 131 131 THR H H 131 7.465 7.465 7.534 -0.069 18976 7668 1 9 . 1 1 132 132 ASP N N 132 121.237 121.237 119.040 2.197 18976 7669 1 9 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.925 -0.447 18976 7670 1 9 . 1 1 132 132 ASP C C 132 175.777 175.777 176.435 -0.658 18976 7671 1 9 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.679 1.275 18976 7672 1 9 . 1 1 132 132 ASP CB C 132 40.440 40.440 43.074 -2.634 18976 7673 1 9 . 1 1 132 132 ASP H H 132 8.070 8.070 7.618 0.452 18976 7674 1 9 . 1 1 133 133 ILE N N 133 127.244 127.244 123.806 3.438 18976 7675 1 9 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.066 -0.090 18976 7676 1 9 . 1 1 133 133 ILE C C 133 177.628 177.628 176.388 1.240 18976 7677 1 9 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.309 0.557 18976 7678 1 9 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.753 -0.275 18976 7679 1 9 . 1 1 133 133 ILE H H 133 8.345 8.345 8.492 -0.146 18976 7680 1 9 . 1 1 134 134 ASP N N 134 116.893 116.893 118.894 -2.001 18976 7681 1 9 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.555 -0.022 18976 7682 1 9 . 1 1 134 134 ASP C C 134 178.259 178.259 177.670 0.589 18976 7683 1 9 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.619 -0.076 18976 7684 1 9 . 1 1 134 134 ASP CB C 134 39.838 39.838 41.001 -1.163 18976 7685 1 9 . 1 1 134 134 ASP H H 134 8.297 8.297 8.099 0.198 18976 7686 1 9 . 1 1 135 135 GLY N N 135 108.287 108.287 108.400 -0.113 18976 7687 1 9 . 1 1 135 135 GLY C C 135 175.250 175.250 175.219 0.031 18976 7688 1 9 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.757 1.340 18976 7689 1 9 . 1 1 135 135 GLY H H 135 7.623 7.623 8.130 -0.507 18976 7690 1 9 . 1 1 136 136 ASP N N 136 120.541 120.541 121.023 -0.482 18976 7691 1 9 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.483 -0.003 18976 7692 1 9 . 1 1 136 136 ASP C C 136 177.584 177.584 177.889 -0.305 18976 7693 1 9 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.891 -0.516 18976 7694 1 9 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.936 -1.043 18976 7695 1 9 . 1 1 136 136 ASP H H 136 8.290 8.290 8.279 0.011 18976 7696 1 9 . 1 1 137 137 GLY N N 137 112.490 112.490 108.846 3.644 18976 7697 1 9 . 1 1 137 137 GLY C C 137 172.828 172.828 173.217 -0.389 18976 7698 1 9 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.145 0.325 18976 7699 1 9 . 1 1 137 137 GLY H H 137 10.224 10.224 8.066 2.158 18976 7700 1 9 . 1 1 138 138 GLN N N 138 115.266 115.266 116.951 -1.685 18976 7701 1 9 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.413 -0.544 18976 7702 1 9 . 1 1 138 138 GLN C C 138 174.677 174.677 174.517 0.160 18976 7703 1 9 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.516 -1.730 18976 7704 1 9 . 1 1 138 138 GLN CB C 138 31.743 31.743 34.264 -2.522 18976 7705 1 9 . 1 1 138 138 GLN H H 138 7.992 7.992 8.294 -0.302 18976 7706 1 9 . 1 1 139 139 VAL N N 139 125.667 125.667 122.648 3.019 18976 7707 1 9 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.618 0.494 18976 7708 1 9 . 1 1 139 139 VAL C C 139 175.763 175.763 175.425 0.338 18976 7709 1 9 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.477 1.202 18976 7710 1 9 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.044 1.488 18976 7711 1 9 . 1 1 139 139 VAL H H 139 9.227 9.227 8.470 0.757 18976 7712 1 9 . 1 1 140 140 ASN N N 140 128.431 128.431 125.409 3.022 18976 7713 1 9 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.259 0.015 18976 7714 1 9 . 1 1 140 140 ASN C C 140 175.079 175.079 176.475 -1.396 18976 7715 1 9 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.752 -0.085 18976 7716 1 9 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.739 -3.512 18976 7717 1 9 . 1 1 140 140 ASN H H 140 9.360 9.360 8.666 0.694 18976 7718 1 9 . 1 1 141 141 TYR N N 141 119.146 119.146 120.462 -1.316 18976 7719 1 9 . 1 1 141 141 TYR HA H 141 3.386 3.386 4.119 -0.733 18976 7720 1 9 . 1 1 141 141 TYR C C 141 176.092 176.092 178.121 -2.029 18976 7721 1 9 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.851 0.207 18976 7722 1 9 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.228 -0.869 18976 7723 1 9 . 1 1 141 141 TYR H H 141 8.451 8.451 8.888 -0.437 18976 7724 1 9 . 1 1 142 142 GLU N N 142 118.431 118.431 119.899 -1.468 18976 7725 1 9 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.055 -0.373 18976 7726 1 9 . 1 1 142 142 GLU C C 142 180.226 180.226 178.542 1.684 18976 7727 1 9 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.949 0.134 18976 7728 1 9 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.581 -1.035 18976 7729 1 9 . 1 1 142 142 GLU H H 142 8.097 8.097 8.322 -0.225 18976 7730 1 9 . 1 1 143 143 GLU N N 143 120.068 120.068 119.363 0.705 18976 7731 1 9 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.171 -0.181 18976 7732 1 9 . 1 1 143 143 GLU C C 143 179.060 179.060 179.176 -0.116 18976 7733 1 9 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.339 -0.765 18976 7734 1 9 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.595 -0.413 18976 7735 1 9 . 1 1 143 143 GLU H H 143 8.667 8.667 8.318 0.349 18976 7736 1 9 . 1 1 144 144 PHE N N 144 123.392 123.392 121.519 1.873 18976 7737 1 9 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.207 -0.240 18976 7738 1 9 . 1 1 144 144 PHE C C 144 176.982 176.982 177.494 -0.512 18976 7739 1 9 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.493 -0.047 18976 7740 1 9 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.285 0.410 18976 7741 1 9 . 1 1 144 144 PHE H H 144 8.731 8.731 8.769 -0.038 18976 7742 1 9 . 1 1 145 145 VAL N N 145 119.201 119.201 117.247 1.954 18976 7743 1 9 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.614 -0.421 18976 7744 1 9 . 1 1 145 145 VAL C C 145 179.228 179.228 177.939 1.289 18976 7745 1 9 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.417 0.245 18976 7746 1 9 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.481 -0.197 18976 7747 1 9 . 1 1 145 145 VAL H H 145 8.671 8.671 7.831 0.840 18976 7748 1 9 . 1 1 146 146 GLN N N 146 119.252 119.252 119.053 0.199 18976 7749 1 9 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.902 0.014 18976 7750 1 9 . 1 1 146 146 GLN C C 146 177.825 177.825 178.263 -0.438 18976 7751 1 9 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.334 -0.767 18976 7752 1 9 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.247 -0.427 18976 7753 1 9 . 1 1 146 146 GLN H H 146 7.767 7.767 7.930 -0.163 18976 7754 1 9 . 1 1 147 147 ARG N N 147 118.529 118.529 119.193 -0.664 18976 7755 1 9 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.079 0.093 18976 7756 1 9 . 1 1 147 147 ARG C C 147 178.112 178.112 178.276 -0.164 18976 7757 1 9 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.785 -1.276 18976 7758 1 9 . 1 1 147 147 ARG CB C 147 30.114 30.114 30.034 0.080 18976 7759 1 9 . 1 1 147 147 ARG H H 147 7.628 7.628 7.535 0.093 18976 7760 1 9 . 1 1 148 148 MET N N 148 115.755 115.755 117.182 -1.427 18976 7761 1 9 . 1 1 148 148 MET HA H 148 4.304 4.304 4.241 0.063 18976 7762 1 9 . 1 1 148 148 MET C C 148 177.628 177.628 178.390 -0.762 18976 7763 1 9 . 1 1 148 148 MET CA C 148 55.489 55.489 57.521 -2.032 18976 7764 1 9 . 1 1 148 148 MET CB C 148 31.773 31.773 32.063 -0.290 18976 7765 1 9 . 1 1 148 148 MET H H 148 8.003 8.003 7.687 0.316 18976 7766 1 9 . 1 1 149 149 THR N N 149 110.062 110.062 113.308 -3.246 18976 7767 1 9 . 1 1 149 149 THR HA H 149 4.349 4.349 4.220 0.129 18976 7768 1 9 . 1 1 149 149 THR C C 149 174.149 174.149 175.764 -1.615 18976 7769 1 9 . 1 1 149 149 THR CA C 149 61.775 61.775 64.784 -3.009 18976 7770 1 9 . 1 1 149 149 THR CB C 149 69.780 69.780 69.266 0.514 18976 7771 1 9 . 1 1 149 149 THR H H 149 7.682 7.682 7.922 -0.240 18976 7772 1 9 . 1 1 150 150 ALA N N 150 126.503 126.503 119.924 6.579 18976 7773 1 9 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.011 0.319 18976 7774 1 9 . 1 1 150 150 ALA CA C 150 52.535 52.535 54.062 -1.526 18976 7775 1 9 . 1 1 150 150 ALA CB C 150 18.734 18.734 17.216 1.518 18976 7776 1 9 . 1 1 150 150 ALA H H 150 7.651 7.651 7.889 -0.238 18976 7777 1 10 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.158 0.263 18976 7778 1 10 . 1 1 2 2 LEU C C 2 177.129 177.129 178.586 -1.457 18976 7779 1 10 . 1 1 2 2 LEU CA C 2 55.122 55.122 57.115 -1.993 18976 7780 1 10 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.310 1.143 18976 7781 1 10 . 1 1 2 2 LEU H H 2 8.641 8.641 8.654 -0.013 18976 7782 1 10 . 1 1 3 3 MET N N 3 120.143 120.143 117.906 2.237 18976 7783 1 10 . 1 1 3 3 MET HA H 3 4.451 4.451 3.942 0.509 18976 7784 1 10 . 1 1 3 3 MET C C 3 176.835 176.835 177.331 -0.496 18976 7785 1 10 . 1 1 3 3 MET CA C 3 55.160 55.160 58.118 -2.958 18976 7786 1 10 . 1 1 3 3 MET CB C 3 32.584 32.584 31.425 1.159 18976 7787 1 10 . 1 1 3 3 MET H H 3 8.396 8.396 7.882 0.514 18976 7788 1 10 . 1 1 4 4 ALA N N 4 123.344 123.344 119.153 4.191 18976 7789 1 10 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.140 -0.080 18976 7790 1 10 . 1 1 4 4 ALA C C 4 177.922 177.922 177.706 0.216 18976 7791 1 10 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.938 -0.388 18976 7792 1 10 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.648 -0.092 18976 7793 1 10 . 1 1 4 4 ALA H H 4 8.396 8.396 7.835 0.561 18976 7794 1 10 . 1 1 5 5 ASP N N 5 116.052 116.052 116.100 -0.048 18976 7795 1 10 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.548 -0.039 18976 7796 1 10 . 1 1 5 5 ASP C C 5 176.366 176.366 177.666 -1.300 18976 7797 1 10 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.586 -0.963 18976 7798 1 10 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.636 -0.373 18976 7799 1 10 . 1 1 5 5 ASP H H 5 8.114 8.114 7.318 0.796 18976 7800 1 10 . 1 1 6 6 GLN N N 6 117.717 117.717 118.360 -0.643 18976 7801 1 10 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.309 0.068 18976 7802 1 10 . 1 1 6 6 GLN C C 6 175.842 175.842 175.505 0.337 18976 7803 1 10 . 1 1 6 6 GLN CA C 6 55.311 55.311 56.235 -0.924 18976 7804 1 10 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.157 0.433 18976 7805 1 10 . 1 1 6 6 GLN H H 6 7.935 7.935 8.078 -0.143 18976 7806 1 10 . 1 1 7 7 LEU N N 7 121.086 121.086 115.755 5.331 18976 7807 1 10 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.983 -0.307 18976 7808 1 10 . 1 1 7 7 LEU C C 7 177.496 177.496 175.704 1.792 18976 7809 1 10 . 1 1 7 7 LEU CA C 7 54.065 54.065 52.660 1.405 18976 7810 1 10 . 1 1 7 7 LEU CB C 7 43.268 43.268 44.433 -1.165 18976 7811 1 10 . 1 1 7 7 LEU H H 7 7.713 7.713 7.136 0.577 18976 7812 1 10 . 1 1 8 8 THR N N 8 112.688 112.688 108.669 4.019 18976 7813 1 10 . 1 1 8 8 THR HA H 8 4.475 4.475 4.645 -0.170 18976 7814 1 10 . 1 1 8 8 THR C C 8 175.511 175.511 175.607 -0.096 18976 7815 1 10 . 1 1 8 8 THR CA C 8 60.256 60.256 59.722 0.534 18976 7816 1 10 . 1 1 8 8 THR CB C 8 71.019 71.019 71.275 -0.256 18976 7817 1 10 . 1 1 8 8 THR H H 8 8.800 8.800 8.001 0.799 18976 7818 1 10 . 1 1 9 9 GLU N N 9 120.380 120.380 119.965 0.415 18976 7819 1 10 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.097 -0.117 18976 7820 1 10 . 1 1 9 9 GLU C C 9 179.492 179.492 178.567 0.925 18976 7821 1 10 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.627 0.298 18976 7822 1 10 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.397 -0.472 18976 7823 1 10 . 1 1 9 9 GLU H H 9 9.040 9.040 8.941 0.099 18976 7824 1 10 . 1 1 10 10 GLU N N 10 119.361 119.361 119.116 0.245 18976 7825 1 10 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.065 0.009 18976 7826 1 10 . 1 1 10 10 GLU C C 10 179.185 179.185 179.195 -0.010 18976 7827 1 10 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.014 0.753 18976 7828 1 10 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.337 -0.541 18976 7829 1 10 . 1 1 10 10 GLU H H 10 8.729 8.729 7.862 0.867 18976 7830 1 10 . 1 1 11 11 GLN N N 11 120.302 120.302 118.432 1.870 18976 7831 1 10 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.353 -0.485 18976 7832 1 10 . 1 1 11 11 GLN C C 11 178.318 178.318 178.680 -0.362 18976 7833 1 10 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.072 0.312 18976 7834 1 10 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.993 -0.108 18976 7835 1 10 . 1 1 11 11 GLN H H 11 7.747 7.747 7.772 -0.025 18976 7836 1 10 . 1 1 12 12 ILE N N 12 119.533 119.533 120.920 -1.387 18976 7837 1 10 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.048 -0.330 18976 7838 1 10 . 1 1 12 12 ILE C C 12 177.731 177.731 177.700 0.031 18976 7839 1 10 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.041 0.918 18976 7840 1 10 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.577 -0.065 18976 7841 1 10 . 1 1 12 12 ILE H H 12 8.456 8.456 8.231 0.225 18976 7842 1 10 . 1 1 13 13 ALA N N 13 121.161 121.161 123.221 -2.060 18976 7843 1 10 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.976 0.163 18976 7844 1 10 . 1 1 13 13 ALA C C 13 181.019 181.019 179.062 1.957 18976 7845 1 10 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.904 -0.781 18976 7846 1 10 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.013 -0.509 18976 7847 1 10 . 1 1 13 13 ALA H H 13 8.018 8.018 8.056 -0.038 18976 7848 1 10 . 1 1 14 14 GLU N N 14 119.619 119.619 118.906 0.713 18976 7849 1 10 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.112 0.052 18976 7850 1 10 . 1 1 14 14 GLU C C 14 180.534 180.534 179.204 1.330 18976 7851 1 10 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.593 0.531 18976 7852 1 10 . 1 1 14 14 GLU CB C 14 28.853 28.853 28.975 -0.122 18976 7853 1 10 . 1 1 14 14 GLU H H 14 7.792 7.792 7.949 -0.157 18976 7854 1 10 . 1 1 15 15 PHE N N 15 120.089 120.089 121.422 -1.333 18976 7855 1 10 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.535 0.529 18976 7856 1 10 . 1 1 15 15 PHE C C 15 178.700 178.700 177.971 0.729 18976 7857 1 10 . 1 1 15 15 PHE CA C 15 58.857 58.857 62.190 -3.333 18976 7858 1 10 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.406 -1.929 18976 7859 1 10 . 1 1 15 15 PHE H H 15 8.587 8.587 8.361 0.226 18976 7860 1 10 . 1 1 16 16 LYS N N 16 123.715 123.715 119.647 4.068 18976 7861 1 10 . 1 1 16 16 LYS HA H 16 4.045 4.045 3.796 0.249 18976 7862 1 10 . 1 1 16 16 LYS C C 16 179.327 179.327 178.857 0.470 18976 7863 1 10 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.241 0.629 18976 7864 1 10 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.563 0.010 18976 7865 1 10 . 1 1 16 16 LYS H H 16 9.256 9.256 8.369 0.887 18976 7866 1 10 . 1 1 17 17 GLU N N 17 120.262 120.262 120.352 -0.090 18976 7867 1 10 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.075 0.081 18976 7868 1 10 . 1 1 17 17 GLU C C 17 179.456 179.456 178.895 0.561 18976 7869 1 10 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.245 -0.238 18976 7870 1 10 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.254 -0.445 18976 7871 1 10 . 1 1 17 17 GLU H H 17 7.774 7.774 7.936 -0.162 18976 7872 1 10 . 1 1 18 18 ALA N N 18 122.590 122.590 122.071 0.519 18976 7873 1 10 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.192 0.123 18976 7874 1 10 . 1 1 18 18 ALA C C 18 179.060 179.060 179.860 -0.800 18976 7875 1 10 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.039 -0.210 18976 7876 1 10 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.555 -0.757 18976 7877 1 10 . 1 1 18 18 ALA H H 18 8.001 8.001 8.022 -0.021 18976 7878 1 10 . 1 1 19 19 PHE N N 19 119.363 119.363 118.077 1.286 18976 7879 1 10 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.807 -0.573 18976 7880 1 10 . 1 1 19 19 PHE C C 19 177.290 177.290 177.267 0.023 18976 7881 1 10 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.932 0.825 18976 7882 1 10 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.909 0.229 18976 7883 1 10 . 1 1 19 19 PHE H H 19 8.859 8.859 8.181 0.678 18976 7884 1 10 . 1 1 20 20 SER N N 20 112.556 112.556 114.941 -2.385 18976 7885 1 10 . 1 1 20 20 SER HA H 20 4.142 4.142 4.210 -0.068 18976 7886 1 10 . 1 1 20 20 SER C C 20 174.955 174.955 175.768 -0.813 18976 7887 1 10 . 1 1 20 20 SER CA C 20 61.007 61.007 62.304 -1.297 18976 7888 1 10 . 1 1 20 20 SER CB C 20 62.960 62.960 63.423 -0.463 18976 7889 1 10 . 1 1 20 20 SER H H 20 7.934 7.934 7.841 0.093 18976 7890 1 10 . 1 1 21 21 LEU N N 21 120.816 120.816 117.462 3.354 18976 7891 1 10 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.302 -0.286 18976 7892 1 10 . 1 1 21 21 LEU C C 21 178.010 178.010 177.925 0.085 18976 7893 1 10 . 1 1 21 21 LEU CA C 21 56.795 56.795 56.847 -0.052 18976 7894 1 10 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.583 -0.451 18976 7895 1 10 . 1 1 21 21 LEU H H 21 7.434 7.434 7.503 -0.069 18976 7896 1 10 . 1 1 22 22 PHE N N 22 115.049 115.049 120.786 -5.737 18976 7897 1 10 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.256 -0.012 18976 7898 1 10 . 1 1 22 22 PHE C C 22 176.762 176.762 175.773 0.989 18976 7899 1 10 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.555 -1.535 18976 7900 1 10 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.818 0.912 18976 7901 1 10 . 1 1 22 22 PHE H H 22 7.326 7.326 7.731 -0.405 18976 7902 1 10 . 1 1 23 23 ASP N N 23 117.496 117.496 118.907 -1.411 18976 7903 1 10 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.690 -0.139 18976 7904 1 10 . 1 1 23 23 ASP C C 23 177.167 177.167 176.839 0.328 18976 7905 1 10 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.808 -1.767 18976 7906 1 10 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.606 -2.008 18976 7907 1 10 . 1 1 23 23 ASP H H 23 7.851 7.851 7.789 0.062 18976 7908 1 10 . 1 1 24 24 LYS N N 24 124.470 124.470 125.742 -1.272 18976 7909 1 10 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.970 0.014 18976 7910 1 10 . 1 1 24 24 LYS C C 24 178.127 178.127 177.772 0.355 18976 7911 1 10 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.695 -0.537 18976 7912 1 10 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.363 0.020 18976 7913 1 10 . 1 1 24 24 LYS H H 24 7.687 7.687 8.109 -0.422 18976 7914 1 10 . 1 1 25 25 ASP N N 25 113.822 113.822 115.014 -1.192 18976 7915 1 10 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.496 0.110 18976 7916 1 10 . 1 1 25 25 ASP C C 25 177.687 177.687 177.498 0.189 18976 7917 1 10 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.234 -1.775 18976 7918 1 10 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.521 -1.330 18976 7919 1 10 . 1 1 25 25 ASP H H 25 8.067 8.067 8.024 0.043 18976 7920 1 10 . 1 1 26 26 GLY N N 26 109.208 109.208 108.708 0.500 18976 7921 1 10 . 1 1 26 26 GLY C C 26 175.132 175.132 175.213 -0.081 18976 7922 1 10 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.941 0.933 18976 7923 1 10 . 1 1 26 26 GLY H H 26 7.698 7.698 7.803 -0.105 18976 7924 1 10 . 1 1 27 27 ASP N N 27 120.603 120.603 119.946 0.657 18976 7925 1 10 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.638 -0.115 18976 7926 1 10 . 1 1 27 27 ASP C C 27 177.452 177.452 177.886 -0.434 18976 7927 1 10 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.531 -0.038 18976 7928 1 10 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.079 -0.831 18976 7929 1 10 . 1 1 27 27 ASP H H 27 8.397 8.397 8.411 -0.014 18976 7930 1 10 . 1 1 28 28 GLY N N 28 113.187 113.187 109.008 4.179 18976 7931 1 10 . 1 1 28 28 GLY C C 28 173.679 173.679 173.851 -0.172 18976 7932 1 10 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.363 -0.182 18976 7933 1 10 . 1 1 28 28 GLY H H 28 10.648 10.648 8.210 2.438 18976 7934 1 10 . 1 1 29 29 THR N N 29 112.865 112.865 112.375 0.490 18976 7935 1 10 . 1 1 29 29 THR HA H 29 5.310 5.310 5.484 -0.174 18976 7936 1 10 . 1 1 29 29 THR C C 29 172.872 172.872 174.113 -1.241 18976 7937 1 10 . 1 1 29 29 THR CA C 29 59.764 59.764 60.250 -0.486 18976 7938 1 10 . 1 1 29 29 THR CB C 29 72.319 72.319 71.817 0.502 18976 7939 1 10 . 1 1 29 29 THR H H 29 8.144 8.144 8.298 -0.154 18976 7940 1 10 . 1 1 30 30 ILE N N 30 127.035 127.035 127.934 -0.899 18976 7941 1 10 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.592 0.388 18976 7942 1 10 . 1 1 30 30 ILE C C 30 176.072 176.072 176.368 -0.296 18976 7943 1 10 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.542 -0.398 18976 7944 1 10 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.488 1.814 18976 7945 1 10 . 1 1 30 30 ILE H H 30 9.821 9.821 8.991 0.830 18976 7946 1 10 . 1 1 31 31 THR N N 31 116.509 116.509 123.254 -6.745 18976 7947 1 10 . 1 1 31 31 THR HA H 31 4.800 4.800 4.568 0.232 18976 7948 1 10 . 1 1 31 31 THR C C 31 176.542 176.542 176.575 -0.033 18976 7949 1 10 . 1 1 31 31 THR CA C 31 59.396 59.396 62.626 -3.230 18976 7950 1 10 . 1 1 31 31 THR CB C 31 72.162 72.162 70.055 2.107 18976 7951 1 10 . 1 1 31 31 THR H H 31 8.469 8.469 8.899 -0.430 18976 7952 1 10 . 1 1 32 32 THR N N 32 112.790 112.790 115.738 -2.948 18976 7953 1 10 . 1 1 32 32 THR HA H 32 3.803 3.803 3.916 -0.113 18976 7954 1 10 . 1 1 32 32 THR C C 32 177.188 177.188 176.435 0.753 18976 7955 1 10 . 1 1 32 32 THR CA C 32 66.253 66.253 66.635 -0.382 18976 7956 1 10 . 1 1 32 32 THR CB C 32 67.459 67.459 68.722 -1.263 18976 7957 1 10 . 1 1 32 32 THR H H 32 9.128 9.128 9.018 0.110 18976 7958 1 10 . 1 1 33 33 LYS N N 33 120.844 120.844 122.067 -1.223 18976 7959 1 10 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.943 0.205 18976 7960 1 10 . 1 1 33 33 LYS C C 33 179.880 179.880 178.812 1.068 18976 7961 1 10 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.233 -0.294 18976 7962 1 10 . 1 1 33 33 LYS CB C 33 32.235 32.235 31.819 0.416 18976 7963 1 10 . 1 1 33 33 LYS H H 33 7.695 7.695 8.617 -0.922 18976 7964 1 10 . 1 1 34 34 GLU N N 34 121.463 121.463 118.787 2.676 18976 7965 1 10 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.094 -0.026 18976 7966 1 10 . 1 1 34 34 GLU C C 34 179.140 179.140 179.397 -0.257 18976 7967 1 10 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.152 -0.013 18976 7968 1 10 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.481 0.064 18976 7969 1 10 . 1 1 34 34 GLU H H 34 7.687 7.687 7.581 0.106 18976 7970 1 10 . 1 1 35 35 LEU N N 35 120.583 120.583 121.007 -0.424 18976 7971 1 10 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.328 -0.205 18976 7972 1 10 . 1 1 35 35 LEU C C 35 178.934 178.934 179.176 -0.242 18976 7973 1 10 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.253 -0.426 18976 7974 1 10 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.816 0.564 18976 7975 1 10 . 1 1 35 35 LEU H H 35 8.745 8.745 8.522 0.223 18976 7976 1 10 . 1 1 36 36 GLY N N 36 128.127 128.127 104.938 23.189 18976 7977 1 10 . 1 1 36 36 GLY C C 36 175.177 175.177 176.145 -0.968 18976 7978 1 10 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.196 0.807 18976 7979 1 10 . 1 1 36 36 GLY H H 36 8.670 8.670 8.272 0.398 18976 7980 1 10 . 1 1 37 37 THR N N 37 117.925 117.925 118.645 -0.720 18976 7981 1 10 . 1 1 37 37 THR HA H 37 3.938 3.938 3.992 -0.054 18976 7982 1 10 . 1 1 37 37 THR C C 37 177.137 177.137 176.092 1.045 18976 7983 1 10 . 1 1 37 37 THR CA C 37 66.648 66.648 66.542 0.106 18976 7984 1 10 . 1 1 37 37 THR CB C 37 68.383 68.383 69.051 -0.668 18976 7985 1 10 . 1 1 37 37 THR H H 37 7.930 7.930 7.681 0.249 18976 7986 1 10 . 1 1 38 38 VAL N N 38 122.046 122.046 121.479 0.567 18976 7987 1 10 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.588 -0.065 18976 7988 1 10 . 1 1 38 38 VAL C C 38 179.243 179.243 177.398 1.845 18976 7989 1 10 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.025 -0.062 18976 7990 1 10 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.019 0.051 18976 7991 1 10 . 1 1 38 38 VAL H H 38 7.643 7.643 7.734 -0.091 18976 7992 1 10 . 1 1 39 39 MET N N 39 118.442 118.442 116.744 1.698 18976 7993 1 10 . 1 1 39 39 MET HA H 39 4.133 4.133 4.082 0.051 18976 7994 1 10 . 1 1 39 39 MET C C 39 179.125 179.125 177.964 1.161 18976 7995 1 10 . 1 1 39 39 MET CA C 39 58.886 58.886 58.749 0.137 18976 7996 1 10 . 1 1 39 39 MET CB C 39 31.211 31.211 32.363 -1.152 18976 7997 1 10 . 1 1 39 39 MET H H 39 8.497 8.497 7.927 0.570 18976 7998 1 10 . 1 1 40 40 ARG N N 40 118.929 118.929 119.326 -0.397 18976 7999 1 10 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.237 0.596 18976 8000 1 10 . 1 1 40 40 ARG C C 40 181.224 181.224 178.744 2.480 18976 8001 1 10 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.113 -0.227 18976 8002 1 10 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.164 -1.329 18976 8003 1 10 . 1 1 40 40 ARG H H 40 8.536 8.536 7.594 0.942 18976 8004 1 10 . 1 1 41 41 SER N N 41 118.832 118.832 115.593 3.239 18976 8005 1 10 . 1 1 41 41 SER HA H 41 4.425 4.425 4.293 0.132 18976 8006 1 10 . 1 1 41 41 SER C C 41 174.839 174.839 174.942 -0.103 18976 8007 1 10 . 1 1 41 41 SER CA C 41 61.249 61.249 60.705 0.544 18976 8008 1 10 . 1 1 41 41 SER CB C 41 62.464 62.464 62.754 -0.290 18976 8009 1 10 . 1 1 41 41 SER H H 41 7.925 7.925 7.500 0.425 18976 8010 1 10 . 1 1 42 42 LEU N N 42 120.676 120.676 120.501 0.175 18976 8011 1 10 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.420 0.097 18976 8012 1 10 . 1 1 42 42 LEU C C 42 177.540 177.540 177.271 0.269 18976 8013 1 10 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.639 -0.407 18976 8014 1 10 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.642 0.028 18976 8015 1 10 . 1 1 42 42 LEU H H 42 7.395 7.395 7.317 0.078 18976 8016 1 10 . 1 1 43 43 GLY N N 43 106.840 106.840 106.885 -0.045 18976 8017 1 10 . 1 1 43 43 GLY C C 43 174.384 174.384 174.986 -0.602 18976 8018 1 10 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.804 0.504 18976 8019 1 10 . 1 1 43 43 GLY H H 43 7.885 7.885 7.690 0.195 18976 8020 1 10 . 1 1 44 44 GLN N N 44 118.414 118.414 120.754 -2.340 18976 8021 1 10 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.367 0.135 18976 8022 1 10 . 1 1 44 44 GLN C C 44 174.134 174.134 175.155 -1.021 18976 8023 1 10 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.974 -0.790 18976 8024 1 10 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.887 0.387 18976 8025 1 10 . 1 1 44 44 GLN H H 44 7.805 7.805 7.665 0.140 18976 8026 1 10 . 1 1 45 45 ASN N N 45 116.265 116.265 118.700 -2.435 18976 8027 1 10 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.992 0.209 18976 8028 1 10 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.562 0.395 18976 8029 1 10 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.667 -0.758 18976 8030 1 10 . 1 1 45 45 ASN H H 45 8.733 8.733 8.537 0.196 18976 8031 1 10 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.814 -0.027 18976 8032 1 10 . 1 1 46 46 PRO C C 46 177.745 177.745 176.407 1.338 18976 8033 1 10 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.290 -0.185 18976 8034 1 10 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.622 -1.919 18976 8035 1 10 . 1 1 47 47 THR N N 47 112.958 112.958 111.226 1.732 18976 8036 1 10 . 1 1 47 47 THR HA H 47 4.451 4.451 4.515 -0.064 18976 8037 1 10 . 1 1 47 47 THR C C 47 175.159 175.159 175.688 -0.529 18976 8038 1 10 . 1 1 47 47 THR CA C 47 60.078 60.078 59.560 0.517 18976 8039 1 10 . 1 1 47 47 THR CB C 47 71.001 71.001 71.391 -0.390 18976 8040 1 10 . 1 1 47 47 THR H H 47 8.767 8.767 7.899 0.868 18976 8041 1 10 . 1 1 48 48 GLU N N 48 120.607 120.607 122.466 -1.859 18976 8042 1 10 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.911 0.095 18976 8043 1 10 . 1 1 48 48 GLU C C 48 178.949 178.949 178.545 0.404 18976 8044 1 10 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.858 -0.117 18976 8045 1 10 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.450 -0.757 18976 8046 1 10 . 1 1 48 48 GLU H H 48 8.824 8.824 8.939 -0.115 18976 8047 1 10 . 1 1 49 49 ALA N N 49 120.678 120.678 120.147 0.531 18976 8048 1 10 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.144 -0.025 18976 8049 1 10 . 1 1 49 49 ALA C C 49 180.226 180.226 179.879 0.347 18976 8050 1 10 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.675 0.041 18976 8051 1 10 . 1 1 49 49 ALA CB C 49 17.873 17.873 17.975 -0.102 18976 8052 1 10 . 1 1 49 49 ALA H H 49 8.279 8.279 8.248 0.031 18976 8053 1 10 . 1 1 50 50 GLU N N 50 118.703 118.703 119.399 -0.696 18976 8054 1 10 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.125 -0.073 18976 8055 1 10 . 1 1 50 50 GLU C C 50 180.182 180.182 178.940 1.242 18976 8056 1 10 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.781 0.076 18976 8057 1 10 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.489 -0.121 18976 8058 1 10 . 1 1 50 50 GLU H H 50 7.712 7.712 7.476 0.236 18976 8059 1 10 . 1 1 51 51 LEU N N 51 120.420 120.420 118.207 2.213 18976 8060 1 10 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.200 -0.106 18976 8061 1 10 . 1 1 51 51 LEU C C 51 178.494 178.494 179.263 -0.769 18976 8062 1 10 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.325 1.354 18976 8063 1 10 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.641 1.415 18976 8064 1 10 . 1 1 51 51 LEU H H 51 8.192 8.192 7.549 0.643 18976 8065 1 10 . 1 1 52 52 GLN N N 52 118.200 118.200 119.489 -1.289 18976 8066 1 10 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.944 -0.106 18976 8067 1 10 . 1 1 52 52 GLN C C 52 178.518 178.518 177.519 0.999 18976 8068 1 10 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.872 -0.675 18976 8069 1 10 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.035 -0.131 18976 8070 1 10 . 1 1 52 52 GLN H H 52 8.212 8.212 8.506 -0.294 18976 8071 1 10 . 1 1 53 53 ASP N N 53 119.922 119.922 119.426 0.496 18976 8072 1 10 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.444 -0.014 18976 8073 1 10 . 1 1 53 53 ASP C C 53 178.635 178.635 178.009 0.626 18976 8074 1 10 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.055 0.207 18976 8075 1 10 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.757 -0.795 18976 8076 1 10 . 1 1 53 53 ASP H H 53 8.108 8.108 7.647 0.461 18976 8077 1 10 . 1 1 54 54 MET N N 54 119.290 119.290 117.436 1.854 18976 8078 1 10 . 1 1 54 54 MET HA H 54 4.044 4.044 4.197 -0.153 18976 8079 1 10 . 1 1 54 54 MET C C 54 178.876 178.876 178.307 0.569 18976 8080 1 10 . 1 1 54 54 MET CA C 54 59.108 59.108 58.890 0.218 18976 8081 1 10 . 1 1 54 54 MET CB C 54 32.930 32.930 32.518 0.412 18976 8082 1 10 . 1 1 54 54 MET H H 54 7.865 7.865 7.430 0.435 18976 8083 1 10 . 1 1 55 55 ILE N N 55 118.056 118.056 119.700 -1.644 18976 8084 1 10 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.761 -0.246 18976 8085 1 10 . 1 1 55 55 ILE C C 55 177.760 177.760 177.420 0.340 18976 8086 1 10 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.345 0.135 18976 8087 1 10 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.248 -1.268 18976 8088 1 10 . 1 1 55 55 ILE H H 55 7.710 7.710 7.428 0.282 18976 8089 1 10 . 1 1 56 56 ASN N N 56 117.688 117.688 118.482 -0.794 18976 8090 1 10 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.413 -0.021 18976 8091 1 10 . 1 1 56 56 ASN C C 56 177.393 177.393 177.510 -0.117 18976 8092 1 10 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.091 -0.505 18976 8093 1 10 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.092 -0.437 18976 8094 1 10 . 1 1 56 56 ASN H H 56 8.606 8.606 8.292 0.314 18976 8095 1 10 . 1 1 57 57 GLU N N 57 116.316 116.316 118.303 -1.987 18976 8096 1 10 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.200 -0.157 18976 8097 1 10 . 1 1 57 57 GLU C C 57 177.569 177.569 177.945 -0.376 18976 8098 1 10 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.028 0.604 18976 8099 1 10 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.963 0.136 18976 8100 1 10 . 1 1 57 57 GLU H H 57 7.580 7.580 7.998 -0.418 18976 8101 1 10 . 1 1 58 58 VAL N N 58 108.390 108.390 118.531 -10.141 18976 8102 1 10 . 1 1 58 58 VAL HA H 58 4.482 4.482 3.976 0.506 18976 8103 1 10 . 1 1 58 58 VAL C C 58 175.749 175.749 176.368 -0.619 18976 8104 1 10 . 1 1 58 58 VAL CA C 58 60.417 60.417 63.690 -3.273 18976 8105 1 10 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.159 0.207 18976 8106 1 10 . 1 1 58 58 VAL H H 58 7.219 7.219 7.377 -0.158 18976 8107 1 10 . 1 1 59 59 ASP N N 59 121.728 121.728 120.621 1.107 18976 8108 1 10 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.592 0.050 18976 8109 1 10 . 1 1 59 59 ASP C C 59 176.219 176.219 176.026 0.193 18976 8110 1 10 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.705 -1.237 18976 8111 1 10 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.104 -1.239 18976 8112 1 10 . 1 1 59 59 ASP H H 59 7.674 7.674 7.986 -0.312 18976 8113 1 10 . 1 1 60 60 ALA N N 60 109.214 109.214 130.087 -20.873 18976 8114 1 10 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.121 0.095 18976 8115 1 10 . 1 1 60 60 ALA C C 60 178.626 178.626 178.489 0.137 18976 8116 1 10 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.970 0.015 18976 8117 1 10 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.370 -0.224 18976 8118 1 10 . 1 1 60 60 ALA H H 60 8.481 8.481 8.042 0.439 18976 8119 1 10 . 1 1 61 61 ASP N N 61 113.667 113.667 118.096 -4.429 18976 8120 1 10 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.526 0.097 18976 8121 1 10 . 1 1 61 61 ASP C C 61 177.848 177.848 177.733 0.115 18976 8122 1 10 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.872 -1.461 18976 8123 1 10 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.953 -1.402 18976 8124 1 10 . 1 1 61 61 ASP H H 61 8.158 8.158 8.287 -0.129 18976 8125 1 10 . 1 1 62 62 GLY N N 62 108.314 108.314 109.442 -1.128 18976 8126 1 10 . 1 1 62 62 GLY C C 62 174.933 174.933 174.808 0.125 18976 8127 1 10 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.382 1.560 18976 8128 1 10 . 1 1 62 62 GLY H H 62 7.585 7.585 8.174 -0.589 18976 8129 1 10 . 1 1 63 63 ASN N N 63 118.384 118.384 118.199 0.185 18976 8130 1 10 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.775 -0.118 18976 8131 1 10 . 1 1 63 63 ASN C C 63 176.835 176.835 176.423 0.412 18976 8132 1 10 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.559 -0.336 18976 8133 1 10 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.360 -1.994 18976 8134 1 10 . 1 1 63 63 ASN H H 63 8.086 8.086 8.649 -0.563 18976 8135 1 10 . 1 1 64 64 GLY N N 64 113.412 113.412 109.163 4.249 18976 8136 1 10 . 1 1 64 64 GLY C C 64 173.254 173.254 173.606 -0.352 18976 8137 1 10 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.294 0.103 18976 8138 1 10 . 1 1 64 64 GLY H H 64 10.618 10.618 8.253 2.365 18976 8139 1 10 . 1 1 65 65 THR N N 65 108.877 108.877 113.526 -4.649 18976 8140 1 10 . 1 1 65 65 THR HA H 65 4.766 4.766 4.619 0.147 18976 8141 1 10 . 1 1 65 65 THR C C 65 173.195 173.195 173.222 -0.027 18976 8142 1 10 . 1 1 65 65 THR CA C 65 59.301 59.301 61.407 -2.106 18976 8143 1 10 . 1 1 65 65 THR CB C 65 71.695 71.695 72.617 -0.922 18976 8144 1 10 . 1 1 65 65 THR H H 65 7.684 7.684 8.114 -0.430 18976 8145 1 10 . 1 1 66 66 ILE N N 66 123.673 123.673 124.290 -0.617 18976 8146 1 10 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.474 0.716 18976 8147 1 10 . 1 1 66 66 ILE C C 66 175.529 175.529 174.995 0.534 18976 8148 1 10 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.127 -1.443 18976 8149 1 10 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.289 0.128 18976 8150 1 10 . 1 1 66 66 ILE H H 66 8.912 8.912 8.457 0.455 18976 8151 1 10 . 1 1 67 67 ASP N N 67 128.135 128.135 126.780 1.355 18976 8152 1 10 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.166 0.218 18976 8153 1 10 . 1 1 67 67 ASP C C 67 176.322 176.322 176.761 -0.439 18976 8154 1 10 . 1 1 67 67 ASP CA C 67 51.843 51.843 51.927 -0.084 18976 8155 1 10 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.989 -2.202 18976 8156 1 10 . 1 1 67 67 ASP H H 67 8.824 8.824 8.670 0.154 18976 8157 1 10 . 1 1 68 68 PHE N N 68 118.627 118.627 123.778 -5.151 18976 8158 1 10 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.849 0.175 18976 8159 1 10 . 1 1 68 68 PHE CA C 68 63.170 63.170 61.874 1.296 18976 8160 1 10 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.666 -1.065 18976 8161 1 10 . 1 1 68 68 PHE H H 68 8.943 8.943 8.916 0.027 18976 8162 1 10 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.884 -0.008 18976 8163 1 10 . 1 1 69 69 PRO C C 69 180.037 180.037 178.654 1.383 18976 8164 1 10 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.671 0.721 18976 8165 1 10 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.928 -0.554 18976 8166 1 10 . 1 1 70 70 GLU N N 70 117.615 117.615 117.882 -0.267 18976 8167 1 10 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.131 -0.023 18976 8168 1 10 . 1 1 70 70 GLU C C 70 178.773 178.773 178.675 0.098 18976 8169 1 10 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.224 0.342 18976 8170 1 10 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.365 -0.339 18976 8171 1 10 . 1 1 70 70 GLU H H 70 7.969 7.969 7.635 0.334 18976 8172 1 10 . 1 1 71 71 PHE N N 71 123.460 123.460 122.167 1.293 18976 8173 1 10 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.143 -0.169 18976 8174 1 10 . 1 1 71 71 PHE C C 71 177.041 177.041 176.574 0.467 18976 8175 1 10 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.316 -0.289 18976 8176 1 10 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.340 0.367 18976 8177 1 10 . 1 1 71 71 PHE H H 71 8.861 8.861 8.162 0.699 18976 8178 1 10 . 1 1 72 72 LEU N N 72 118.749 118.749 118.498 0.251 18976 8179 1 10 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.415 -0.047 18976 8180 1 10 . 1 1 72 72 LEU C C 72 178.949 178.949 178.973 -0.024 18976 8181 1 10 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.992 -0.396 18976 8182 1 10 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.161 0.581 18976 8183 1 10 . 1 1 72 72 LEU H H 72 8.411 8.411 7.482 0.929 18976 8184 1 10 . 1 1 73 73 THR N N 73 115.213 115.213 110.034 5.179 18976 8185 1 10 . 1 1 73 73 THR HA H 73 3.753 3.753 3.786 -0.033 18976 8186 1 10 . 1 1 73 73 THR C C 73 175.955 175.955 176.823 -0.868 18976 8187 1 10 . 1 1 73 73 THR CA C 73 66.313 66.313 65.091 1.222 18976 8188 1 10 . 1 1 73 73 THR CB C 73 68.075 68.075 68.735 -0.660 18976 8189 1 10 . 1 1 73 73 THR H H 73 7.522 7.522 7.636 -0.114 18976 8190 1 10 . 1 1 74 74 MET N N 74 121.455 121.455 122.633 -1.178 18976 8191 1 10 . 1 1 74 74 MET HA H 74 3.773 3.773 4.151 -0.378 18976 8192 1 10 . 1 1 74 74 MET C C 74 178.098 178.098 178.218 -0.120 18976 8193 1 10 . 1 1 74 74 MET CA C 74 58.603 58.603 57.976 0.627 18976 8194 1 10 . 1 1 74 74 MET CB C 74 32.905 32.905 32.539 0.365 18976 8195 1 10 . 1 1 74 74 MET H H 74 7.783 7.783 7.601 0.182 18976 8196 1 10 . 1 1 75 75 MET N N 75 116.557 116.557 116.416 0.141 18976 8197 1 10 . 1 1 75 75 MET HA H 75 3.998 3.998 4.288 -0.290 18976 8198 1 10 . 1 1 75 75 MET C C 75 178.700 178.700 177.222 1.478 18976 8199 1 10 . 1 1 75 75 MET CA C 75 55.472 55.472 56.817 -1.345 18976 8200 1 10 . 1 1 75 75 MET CB C 75 30.693 30.693 30.828 -0.135 18976 8201 1 10 . 1 1 75 75 MET H H 75 8.077 8.077 8.065 0.012 18976 8202 1 10 . 1 1 76 76 ALA N N 76 122.410 122.410 123.590 -1.180 18976 8203 1 10 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.883 0.206 18976 8204 1 10 . 1 1 76 76 ALA C C 76 179.683 179.683 179.444 0.239 18976 8205 1 10 . 1 1 76 76 ALA CA C 76 54.376 54.376 55.231 -0.855 18976 8206 1 10 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.832 -0.053 18976 8207 1 10 . 1 1 76 76 ALA H H 76 8.303 8.303 7.772 0.531 18976 8208 1 10 . 1 1 77 77 ARG N N 77 116.451 116.451 118.564 -2.113 18976 8209 1 10 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.009 0.093 18976 8210 1 10 . 1 1 77 77 ARG C C 77 177.701 177.701 178.775 -1.074 18976 8211 1 10 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.857 -0.815 18976 8212 1 10 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.217 -0.209 18976 8213 1 10 . 1 1 77 77 ARG H H 77 7.622 7.622 7.672 -0.050 18976 8214 1 10 . 1 1 78 78 LYS N N 78 118.021 118.021 118.066 -0.045 18976 8215 1 10 . 1 1 78 78 LYS HA H 78 4.239 4.239 3.946 0.293 18976 8216 1 10 . 1 1 78 78 LYS C C 78 177.525 177.525 178.466 -0.941 18976 8217 1 10 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.989 -2.268 18976 8218 1 10 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.078 0.135 18976 8219 1 10 . 1 1 78 78 LYS H H 78 7.577 7.577 8.037 -0.460 18976 8220 1 10 . 1 1 79 79 MET N N 79 118.929 118.929 117.452 1.477 18976 8221 1 10 . 1 1 79 79 MET HA H 79 4.351 4.351 4.270 0.081 18976 8222 1 10 . 1 1 79 79 MET C C 79 176.322 176.322 176.882 -0.560 18976 8223 1 10 . 1 1 79 79 MET CA C 79 56.345 56.345 57.398 -1.053 18976 8224 1 10 . 1 1 79 79 MET CB C 79 32.946 32.946 32.904 0.042 18976 8225 1 10 . 1 1 79 79 MET H H 79 7.772 7.772 8.028 -0.256 18976 8226 1 10 . 1 1 80 80 LYS N N 80 120.686 120.686 119.586 1.100 18976 8227 1 10 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.288 0.039 18976 8228 1 10 . 1 1 80 80 LYS C C 80 176.395 176.395 175.172 1.223 18976 8229 1 10 . 1 1 80 80 LYS CA C 80 56.144 56.144 55.669 0.475 18976 8230 1 10 . 1 1 80 80 LYS CB C 80 32.808 32.808 30.880 1.928 18976 8231 1 10 . 1 1 80 80 LYS H H 80 7.955 7.955 7.564 0.391 18976 8232 1 10 . 1 1 81 81 ASP N N 81 121.721 121.721 122.927 -1.206 18976 8233 1 10 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.547 0.142 18976 8234 1 10 . 1 1 81 81 ASP C C 81 176.644 176.644 176.847 -0.203 18976 8235 1 10 . 1 1 81 81 ASP CA C 81 54.286 54.286 55.245 -0.959 18976 8236 1 10 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.846 -1.054 18976 8237 1 10 . 1 1 81 81 ASP H H 81 8.341 8.341 7.849 0.492 18976 8238 1 10 . 1 1 82 82 THR N N 82 114.594 114.594 115.479 -0.885 18976 8239 1 10 . 1 1 82 82 THR HA H 82 4.323 4.323 4.054 0.269 18976 8240 1 10 . 1 1 82 82 THR C C 82 174.584 174.584 175.222 -0.638 18976 8241 1 10 . 1 1 82 82 THR CA C 82 61.955 61.955 62.955 -0.999 18976 8242 1 10 . 1 1 82 82 THR CB C 82 69.586 69.586 67.558 2.028 18976 8243 1 10 . 1 1 82 82 THR H H 82 8.123 8.123 8.434 -0.311 18976 8244 1 10 . 1 1 83 83 ASP N N 83 123.126 123.126 119.537 3.589 18976 8245 1 10 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.227 0.472 18976 8246 1 10 . 1 1 83 83 ASP C C 83 176.674 176.674 177.966 -1.292 18976 8247 1 10 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.572 -2.081 18976 8248 1 10 . 1 1 83 83 ASP CB C 83 41.040 41.040 39.948 1.092 18976 8249 1 10 . 1 1 83 83 ASP H H 83 8.439 8.439 8.245 0.194 18976 8250 1 10 . 1 1 84 84 SER N N 84 116.982 116.982 117.539 -0.557 18976 8251 1 10 . 1 1 84 84 SER HA H 84 4.458 4.458 4.114 0.344 18976 8252 1 10 . 1 1 84 84 SER C C 84 175.393 175.393 176.310 -0.917 18976 8253 1 10 . 1 1 84 84 SER CA C 84 58.943 58.943 60.883 -1.940 18976 8254 1 10 . 1 1 84 84 SER CB C 84 63.550 63.550 62.590 0.960 18976 8255 1 10 . 1 1 84 84 SER H H 84 8.418 8.418 8.433 -0.015 18976 8256 1 10 . 1 1 85 85 GLU N N 85 122.632 122.632 120.304 2.328 18976 8257 1 10 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.108 0.103 18976 8258 1 10 . 1 1 85 85 GLU C C 85 177.716 177.716 178.215 -0.499 18976 8259 1 10 . 1 1 85 85 GLU CA C 85 58.539 58.539 58.852 -0.313 18976 8260 1 10 . 1 1 85 85 GLU CB C 85 29.227 29.227 29.100 0.127 18976 8261 1 10 . 1 1 85 85 GLU H H 85 8.504 8.504 8.129 0.375 18976 8262 1 10 . 1 1 86 86 GLU N N 86 119.077 119.077 121.100 -2.023 18976 8263 1 10 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.964 0.097 18976 8264 1 10 . 1 1 86 86 GLU C C 86 178.885 178.885 178.567 0.318 18976 8265 1 10 . 1 1 86 86 GLU CA C 86 59.365 59.365 59.430 -0.065 18976 8266 1 10 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.442 -0.377 18976 8267 1 10 . 1 1 86 86 GLU H H 86 8.333 8.333 8.040 0.293 18976 8268 1 10 . 1 1 87 87 GLU N N 87 119.138 119.138 119.285 -0.147 18976 8269 1 10 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.115 0.031 18976 8270 1 10 . 1 1 87 87 GLU C C 87 179.823 179.823 179.168 0.655 18976 8271 1 10 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.873 0.037 18976 8272 1 10 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.762 -0.496 18976 8273 1 10 . 1 1 87 87 GLU H H 87 8.130 8.130 7.902 0.228 18976 8274 1 10 . 1 1 88 88 LEU N N 88 122.103 122.103 120.340 1.763 18976 8275 1 10 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.244 0.147 18976 8276 1 10 . 1 1 88 88 LEU C C 88 178.905 178.905 178.865 0.040 18976 8277 1 10 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.156 0.560 18976 8278 1 10 . 1 1 88 88 LEU CB C 88 41.861 41.861 42.010 -0.149 18976 8279 1 10 . 1 1 88 88 LEU H H 88 8.152 8.152 7.620 0.532 18976 8280 1 10 . 1 1 89 89 ARG N N 89 120.092 120.092 119.199 0.893 18976 8281 1 10 . 1 1 89 89 ARG HA H 89 4.050 4.050 3.938 0.112 18976 8282 1 10 . 1 1 89 89 ARG C C 89 179.507 179.507 178.519 0.988 18976 8283 1 10 . 1 1 89 89 ARG CA C 89 59.411 59.411 60.178 -0.767 18976 8284 1 10 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.649 -0.189 18976 8285 1 10 . 1 1 89 89 ARG H H 89 8.499 8.499 8.499 -0.000 18976 8286 1 10 . 1 1 90 90 GLU N N 90 119.315 119.315 119.768 -0.453 18976 8287 1 10 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.081 0.086 18976 8288 1 10 . 1 1 90 90 GLU C C 90 178.068 178.068 178.318 -0.250 18976 8289 1 10 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.226 -0.636 18976 8290 1 10 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.532 -0.602 18976 8291 1 10 . 1 1 90 90 GLU H H 90 8.040 8.040 7.738 0.302 18976 8292 1 10 . 1 1 91 91 ALA N N 91 121.794 121.794 121.666 0.128 18976 8293 1 10 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.184 0.027 18976 8294 1 10 . 1 1 91 91 ALA C C 91 179.855 179.855 179.650 0.205 18976 8295 1 10 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.809 -0.083 18976 8296 1 10 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.309 -0.739 18976 8297 1 10 . 1 1 91 91 ALA H H 91 7.996 7.996 7.562 0.434 18976 8298 1 10 . 1 1 92 92 PHE N N 92 119.368 119.368 119.493 -0.125 18976 8299 1 10 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.801 -0.671 18976 8300 1 10 . 1 1 92 92 PHE C C 92 176.454 176.454 177.056 -0.602 18976 8301 1 10 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.860 0.372 18976 8302 1 10 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.869 0.058 18976 8303 1 10 . 1 1 92 92 PHE H H 92 8.360 8.360 8.043 0.317 18976 8304 1 10 . 1 1 93 93 ARG N N 93 117.178 117.178 118.817 -1.639 18976 8305 1 10 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.830 0.035 18976 8306 1 10 . 1 1 93 93 ARG C C 93 178.421 178.421 178.085 0.336 18976 8307 1 10 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.175 -0.334 18976 8308 1 10 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.126 -0.220 18976 8309 1 10 . 1 1 93 93 ARG H H 93 7.895 7.895 7.453 0.442 18976 8310 1 10 . 1 1 94 94 VAL N N 94 115.719 115.719 118.433 -2.714 18976 8311 1 10 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.620 -0.020 18976 8312 1 10 . 1 1 94 94 VAL C C 94 177.334 177.334 177.631 -0.297 18976 8313 1 10 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.623 -0.591 18976 8314 1 10 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.750 -0.206 18976 8315 1 10 . 1 1 94 94 VAL H H 94 7.541 7.541 7.913 -0.372 18976 8316 1 10 . 1 1 95 95 GLU N N 95 117.921 117.921 117.444 0.477 18976 8317 1 10 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.046 -0.038 18976 8318 1 10 . 1 1 95 95 GLU C C 95 176.953 176.953 176.654 0.299 18976 8319 1 10 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.322 -0.066 18976 8320 1 10 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.982 -1.295 18976 8321 1 10 . 1 1 95 95 GLU H H 95 7.011 7.011 7.583 -0.572 18976 8322 1 10 . 1 1 96 96 ASP N N 96 117.365 117.365 118.836 -1.471 18976 8323 1 10 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.752 -0.302 18976 8324 1 10 . 1 1 96 96 ASP C C 96 177.202 177.202 176.796 0.406 18976 8325 1 10 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.433 -1.960 18976 8326 1 10 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.324 -2.250 18976 8327 1 10 . 1 1 96 96 ASP H H 96 7.626 7.626 7.449 0.177 18976 8328 1 10 . 1 1 97 97 LYS N N 97 124.733 124.733 125.356 -0.623 18976 8329 1 10 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.081 -0.180 18976 8330 1 10 . 1 1 97 97 LYS C C 97 178.333 178.333 177.992 0.341 18976 8331 1 10 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.741 0.864 18976 8332 1 10 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.507 -0.077 18976 8333 1 10 . 1 1 97 97 LYS H H 97 7.357 7.357 8.192 -0.835 18976 8334 1 10 . 1 1 98 98 ASP N N 98 114.048 114.048 115.366 -1.318 18976 8335 1 10 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.481 0.087 18976 8336 1 10 . 1 1 98 98 ASP C C 98 177.775 177.775 177.588 0.187 18976 8337 1 10 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.256 -1.599 18976 8338 1 10 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.536 -0.943 18976 8339 1 10 . 1 1 98 98 ASP H H 98 8.352 8.352 7.858 0.494 18976 8340 1 10 . 1 1 99 99 GLY N N 99 109.454 109.454 108.760 0.694 18976 8341 1 10 . 1 1 99 99 GLY C C 99 175.082 175.082 175.182 -0.100 18976 8342 1 10 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.718 1.109 18976 8343 1 10 . 1 1 99 99 GLY H H 99 7.828 7.828 8.142 -0.314 18976 8344 1 10 . 1 1 100 100 ASN N N 100 119.607 119.607 118.956 0.651 18976 8345 1 10 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.739 -0.104 18976 8346 1 10 . 1 1 100 100 ASN C C 100 175.969 175.969 176.887 -0.918 18976 8347 1 10 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.041 -0.558 18976 8348 1 10 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.172 -1.292 18976 8349 1 10 . 1 1 100 100 ASN H H 100 8.334 8.334 8.326 0.008 18976 8350 1 10 . 1 1 101 101 GLY N N 101 113.007 113.007 107.496 5.511 18976 8351 1 10 . 1 1 101 101 GLY C C 101 172.314 172.314 172.835 -0.521 18976 8352 1 10 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.045 -0.364 18976 8353 1 10 . 1 1 101 101 GLY H H 101 10.640 10.640 8.909 1.731 18976 8354 1 10 . 1 1 102 102 TYR N N 102 115.913 115.913 118.773 -2.860 18976 8355 1 10 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.272 -0.086 18976 8356 1 10 . 1 1 102 102 TYR C C 102 174.736 174.736 175.100 -0.364 18976 8357 1 10 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.471 -0.809 18976 8358 1 10 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.857 1.944 18976 8359 1 10 . 1 1 102 102 TYR H H 102 7.610 7.610 8.165 -0.555 18976 8360 1 10 . 1 1 103 103 ILE N N 103 127.698 127.698 124.629 3.069 18976 8361 1 10 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.380 0.436 18976 8362 1 10 . 1 1 103 103 ILE C C 103 175.634 175.634 175.788 -0.154 18976 8363 1 10 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.096 1.342 18976 8364 1 10 . 1 1 103 103 ILE CB C 103 38.919 38.919 37.449 1.470 18976 8365 1 10 . 1 1 103 103 ILE H H 103 10.228 10.228 8.182 2.046 18976 8366 1 10 . 1 1 104 104 SER N N 104 123.581 123.581 122.645 0.936 18976 8367 1 10 . 1 1 104 104 SER HA H 104 4.849 4.849 5.044 -0.195 18976 8368 1 10 . 1 1 104 104 SER C C 104 175.191 175.191 175.655 -0.464 18976 8369 1 10 . 1 1 104 104 SER CA C 104 55.499 55.499 56.425 -0.926 18976 8370 1 10 . 1 1 104 104 SER CB C 104 66.371 66.371 66.235 0.136 18976 8371 1 10 . 1 1 104 104 SER H H 104 8.947 8.947 8.256 0.691 18976 8372 1 10 . 1 1 105 105 ALA N N 105 122.829 122.829 123.593 -0.764 18976 8373 1 10 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.253 -0.324 18976 8374 1 10 . 1 1 105 105 ALA C C 105 179.272 179.272 179.177 0.095 18976 8375 1 10 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.266 0.394 18976 8376 1 10 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.514 -0.831 18976 8377 1 10 . 1 1 105 105 ALA H H 105 9.251 9.251 9.080 0.171 18976 8378 1 10 . 1 1 106 106 ALA N N 106 118.442 118.442 120.489 -2.047 18976 8379 1 10 . 1 1 106 106 ALA HA H 106 4.037 4.037 4.150 -0.113 18976 8380 1 10 . 1 1 106 106 ALA C C 106 181.180 181.180 179.768 1.412 18976 8381 1 10 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.779 0.062 18976 8382 1 10 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.433 -0.390 18976 8383 1 10 . 1 1 106 106 ALA H H 106 8.209 8.209 7.981 0.228 18976 8384 1 10 . 1 1 107 107 GLU N N 107 118.406 118.406 118.960 -0.554 18976 8385 1 10 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.061 -0.069 18976 8386 1 10 . 1 1 107 107 GLU C C 107 179.272 179.272 179.121 0.151 18976 8387 1 10 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.865 0.276 18976 8388 1 10 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.658 -0.902 18976 8389 1 10 . 1 1 107 107 GLU H H 107 7.752 7.752 7.587 0.165 18976 8390 1 10 . 1 1 108 108 LEU N N 108 122.413 122.413 120.650 1.763 18976 8391 1 10 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.037 0.035 18976 8392 1 10 . 1 1 108 108 LEU C C 108 178.553 178.553 178.739 -0.186 18976 8393 1 10 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.922 -0.630 18976 8394 1 10 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.716 -0.273 18976 8395 1 10 . 1 1 108 108 LEU H H 108 8.793 8.793 8.369 0.424 18976 8396 1 10 . 1 1 109 109 ARG N N 109 118.074 118.074 118.673 -0.599 18976 8397 1 10 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.964 -0.107 18976 8398 1 10 . 1 1 109 109 ARG C C 109 179.140 179.140 178.816 0.324 18976 8399 1 10 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.048 0.738 18976 8400 1 10 . 1 1 109 109 ARG CB C 109 29.824 29.824 29.709 0.115 18976 8401 1 10 . 1 1 109 109 ARG H H 109 8.421 8.421 7.849 0.572 18976 8402 1 10 . 1 1 110 110 ILE N N 110 120.191 120.191 118.935 1.256 18976 8403 1 10 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.918 -0.131 18976 8404 1 10 . 1 1 110 110 ILE C C 110 177.804 177.804 178.072 -0.268 18976 8405 1 10 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.100 0.453 18976 8406 1 10 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.011 0.047 18976 8407 1 10 . 1 1 110 110 ILE H H 110 7.401 7.401 7.681 -0.280 18976 8408 1 10 . 1 1 111 111 VAL N N 111 120.330 120.330 116.600 3.730 18976 8409 1 10 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.748 0.015 18976 8410 1 10 . 1 1 111 111 VAL C C 111 178.802 178.802 177.395 1.407 18976 8411 1 10 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.874 -0.184 18976 8412 1 10 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.092 -0.500 18976 8413 1 10 . 1 1 111 111 VAL H H 111 7.907 7.907 7.138 0.769 18976 8414 1 10 . 1 1 112 112 MET N N 112 116.794 116.794 119.242 -2.448 18976 8415 1 10 . 1 1 112 112 MET HA H 112 4.396 4.396 4.363 0.033 18976 8416 1 10 . 1 1 112 112 MET C C 112 178.890 178.890 178.521 0.369 18976 8417 1 10 . 1 1 112 112 MET CA C 112 56.719 56.719 55.959 0.760 18976 8418 1 10 . 1 1 112 112 MET CB C 112 30.384 30.384 31.390 -1.006 18976 8419 1 10 . 1 1 112 112 MET H H 112 8.355 8.355 8.329 0.026 18976 8420 1 10 . 1 1 113 113 THR N N 113 117.282 117.282 113.292 3.990 18976 8421 1 10 . 1 1 113 113 THR HA H 113 4.187 4.187 3.962 0.225 18976 8422 1 10 . 1 1 113 113 THR C C 113 178.112 178.112 176.837 1.275 18976 8423 1 10 . 1 1 113 113 THR CA C 113 65.902 65.902 66.209 -0.307 18976 8424 1 10 . 1 1 113 113 THR CB C 113 68.642 68.642 68.212 0.430 18976 8425 1 10 . 1 1 113 113 THR H H 113 8.314 8.314 8.204 0.110 18976 8426 1 10 . 1 1 114 114 ASN N N 114 122.220 122.220 118.917 3.303 18976 8427 1 10 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.597 -0.005 18976 8428 1 10 . 1 1 114 114 ASN C C 114 176.644 176.644 177.141 -0.497 18976 8429 1 10 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.823 0.331 18976 8430 1 10 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.689 -1.093 18976 8431 1 10 . 1 1 114 114 ASN H H 114 8.483 8.483 7.745 0.738 18976 8432 1 10 . 1 1 115 115 ARG N N 115 117.970 117.970 117.831 0.139 18976 8433 1 10 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.391 0.038 18976 8434 1 10 . 1 1 115 115 ARG C C 115 176.366 176.366 177.117 -0.751 18976 8435 1 10 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.962 -0.563 18976 8436 1 10 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.505 -0.005 18976 8437 1 10 . 1 1 115 115 ARG H H 115 7.776 7.776 8.088 -0.312 18976 8438 1 10 . 1 1 116 116 GLY N N 116 107.547 107.547 107.161 0.386 18976 8439 1 10 . 1 1 116 116 GLY C C 116 174.384 174.384 175.198 -0.814 18976 8440 1 10 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.533 -0.326 18976 8441 1 10 . 1 1 116 116 GLY H H 116 7.968 7.968 7.930 0.038 18976 8442 1 10 . 1 1 117 117 GLU N N 117 119.975 119.975 120.943 -0.968 18976 8443 1 10 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.362 0.044 18976 8444 1 10 . 1 1 117 117 GLU C C 117 175.558 175.558 175.635 -0.077 18976 8445 1 10 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.738 0.439 18976 8446 1 10 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.776 1.624 18976 8447 1 10 . 1 1 117 117 GLU H H 117 7.934 7.934 8.012 -0.078 18976 8448 1 10 . 1 1 118 118 LYS N N 118 124.035 124.035 121.711 2.324 18976 8449 1 10 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.163 0.241 18976 8450 1 10 . 1 1 118 118 LYS C C 118 175.441 175.441 176.032 -0.591 18976 8451 1 10 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.895 -1.628 18976 8452 1 10 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.669 -0.819 18976 8453 1 10 . 1 1 118 118 LYS H H 118 8.626 8.626 7.490 1.136 18976 8454 1 10 . 1 1 119 119 LEU N N 119 124.745 124.745 128.083 -3.338 18976 8455 1 10 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.781 -0.011 18976 8456 1 10 . 1 1 119 119 LEU C C 119 178.127 178.127 177.277 0.850 18976 8457 1 10 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.931 0.908 18976 8458 1 10 . 1 1 119 119 LEU CB C 119 44.323 44.323 43.573 0.750 18976 8459 1 10 . 1 1 119 119 LEU H H 119 8.140 8.140 8.142 -0.002 18976 8460 1 10 . 1 1 120 120 THR N N 120 114.555 114.555 117.105 -2.550 18976 8461 1 10 . 1 1 120 120 THR HA H 120 4.477 4.477 4.288 0.189 18976 8462 1 10 . 1 1 120 120 THR C C 120 175.514 175.514 175.695 -0.181 18976 8463 1 10 . 1 1 120 120 THR CA C 120 60.613 60.613 62.694 -2.081 18976 8464 1 10 . 1 1 120 120 THR CB C 120 70.902 70.902 69.598 1.304 18976 8465 1 10 . 1 1 120 120 THR H H 120 9.220 9.220 8.309 0.911 18976 8466 1 10 . 1 1 121 121 ASP N N 121 121.128 121.128 122.713 -1.585 18976 8467 1 10 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.230 -0.002 18976 8468 1 10 . 1 1 121 121 ASP C C 121 178.655 178.655 178.283 0.372 18976 8469 1 10 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.812 -0.060 18976 8470 1 10 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.394 -1.079 18976 8471 1 10 . 1 1 121 121 ASP H H 121 8.921 8.921 8.802 0.119 18976 8472 1 10 . 1 1 122 122 GLU N N 122 119.266 119.266 120.149 -0.883 18976 8473 1 10 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.094 0.025 18976 8474 1 10 . 1 1 122 122 GLU C C 122 179.184 179.184 178.719 0.465 18976 8475 1 10 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.092 0.680 18976 8476 1 10 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.158 -0.292 18976 8477 1 10 . 1 1 122 122 GLU H H 122 8.712 8.712 8.495 0.217 18976 8478 1 10 . 1 1 123 123 GLU N N 123 120.455 120.455 117.176 3.279 18976 8479 1 10 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.145 -0.122 18976 8480 1 10 . 1 1 123 123 GLU C C 123 180.123 180.123 178.974 1.149 18976 8481 1 10 . 1 1 123 123 GLU CA C 123 59.090 59.090 59.155 -0.065 18976 8482 1 10 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.188 1.025 18976 8483 1 10 . 1 1 123 123 GLU H H 123 7.763 7.763 8.439 -0.676 18976 8484 1 10 . 1 1 124 124 VAL N N 124 121.726 121.726 115.168 6.558 18976 8485 1 10 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.978 -0.371 18976 8486 1 10 . 1 1 124 124 VAL C C 124 177.337 177.337 177.566 -0.229 18976 8487 1 10 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.649 1.083 18976 8488 1 10 . 1 1 124 124 VAL CB C 124 31.042 31.042 30.996 0.046 18976 8489 1 10 . 1 1 124 124 VAL H H 124 8.119 8.119 8.097 0.022 18976 8490 1 10 . 1 1 125 125 ASP N N 125 119.880 119.880 120.770 -0.890 18976 8491 1 10 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.424 -0.073 18976 8492 1 10 . 1 1 125 125 ASP C C 125 179.323 179.323 177.507 1.816 18976 8493 1 10 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.760 -0.385 18976 8494 1 10 . 1 1 125 125 ASP CB C 125 40.112 40.112 41.175 -1.062 18976 8495 1 10 . 1 1 125 125 ASP H H 125 8.051 8.051 7.494 0.557 18976 8496 1 10 . 1 1 126 126 GLU N N 126 119.798 119.798 120.650 -0.852 18976 8497 1 10 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.008 0.013 18976 8498 1 10 . 1 1 126 126 GLU C C 126 177.966 177.966 178.760 -0.794 18976 8499 1 10 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.185 -0.212 18976 8500 1 10 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.709 -0.625 18976 8501 1 10 . 1 1 126 126 GLU H H 126 8.047 8.047 7.877 0.170 18976 8502 1 10 . 1 1 127 127 MET N N 127 119.443 119.443 117.052 2.391 18976 8503 1 10 . 1 1 127 127 MET HA H 127 4.137 4.137 4.162 -0.025 18976 8504 1 10 . 1 1 127 127 MET C C 127 179.859 179.859 178.907 0.952 18976 8505 1 10 . 1 1 127 127 MET CA C 127 59.137 59.137 57.950 1.187 18976 8506 1 10 . 1 1 127 127 MET CB C 127 32.239 32.239 31.640 0.599 18976 8507 1 10 . 1 1 127 127 MET H H 127 7.795 7.795 7.926 -0.131 18976 8508 1 10 . 1 1 128 128 ILE N N 128 120.667 120.667 118.959 1.708 18976 8509 1 10 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.569 -0.048 18976 8510 1 10 . 1 1 128 128 ILE C C 128 177.657 177.657 177.943 -0.286 18976 8511 1 10 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.052 -1.240 18976 8512 1 10 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.595 -1.608 18976 8513 1 10 . 1 1 128 128 ILE H H 128 8.158 8.158 7.718 0.440 18976 8514 1 10 . 1 1 129 129 ARG N N 129 119.725 119.725 119.310 0.415 18976 8515 1 10 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.079 -0.010 18976 8516 1 10 . 1 1 129 129 ARG C C 129 178.920 178.920 178.127 0.793 18976 8517 1 10 . 1 1 129 129 ARG CA C 129 59.615 59.615 59.077 0.538 18976 8518 1 10 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.034 -0.152 18976 8519 1 10 . 1 1 129 129 ARG H H 129 8.270 8.270 7.406 0.864 18976 8520 1 10 . 1 1 130 130 GLU N N 130 115.236 115.236 115.344 -0.108 18976 8521 1 10 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.234 -0.140 18976 8522 1 10 . 1 1 130 130 GLU C C 130 177.349 177.349 177.751 -0.402 18976 8523 1 10 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.233 -0.333 18976 8524 1 10 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.524 0.299 18976 8525 1 10 . 1 1 130 130 GLU H H 130 7.953 7.953 8.023 -0.070 18976 8526 1 10 . 1 1 131 131 THR N N 131 112.585 112.585 112.022 0.563 18976 8527 1 10 . 1 1 131 131 THR HA H 131 4.239 4.239 4.421 -0.182 18976 8528 1 10 . 1 1 131 131 THR C C 131 174.149 174.149 172.976 1.173 18976 8529 1 10 . 1 1 131 131 THR CA C 131 62.887 62.887 62.416 0.471 18976 8530 1 10 . 1 1 131 131 THR CB C 131 69.337 69.337 70.377 -1.040 18976 8531 1 10 . 1 1 131 131 THR H H 131 7.465 7.465 7.512 -0.047 18976 8532 1 10 . 1 1 132 132 ASP N N 132 121.237 121.237 120.378 0.859 18976 8533 1 10 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.901 -0.423 18976 8534 1 10 . 1 1 132 132 ASP C C 132 175.777 175.777 176.363 -0.586 18976 8535 1 10 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.351 1.603 18976 8536 1 10 . 1 1 132 132 ASP CB C 132 40.440 40.440 43.133 -2.693 18976 8537 1 10 . 1 1 132 132 ASP H H 132 8.070 8.070 7.818 0.252 18976 8538 1 10 . 1 1 133 133 ILE N N 133 127.244 127.244 123.876 3.368 18976 8539 1 10 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.084 -0.108 18976 8540 1 10 . 1 1 133 133 ILE C C 133 177.628 177.628 176.511 1.117 18976 8541 1 10 . 1 1 133 133 ILE CA C 133 62.866 62.866 61.332 1.534 18976 8542 1 10 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.296 0.182 18976 8543 1 10 . 1 1 133 133 ILE H H 133 8.345 8.345 8.543 -0.198 18976 8544 1 10 . 1 1 134 134 ASP N N 134 116.893 116.893 118.385 -1.492 18976 8545 1 10 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.558 -0.025 18976 8546 1 10 . 1 1 134 134 ASP C C 134 178.259 178.259 177.531 0.728 18976 8547 1 10 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.266 -0.723 18976 8548 1 10 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.744 -0.906 18976 8549 1 10 . 1 1 134 134 ASP H H 134 8.297 8.297 7.930 0.367 18976 8550 1 10 . 1 1 135 135 GLY N N 135 108.287 108.287 108.362 -0.075 18976 8551 1 10 . 1 1 135 135 GLY C C 135 175.250 175.250 175.622 -0.372 18976 8552 1 10 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.093 1.004 18976 8553 1 10 . 1 1 135 135 GLY H H 135 7.623 7.623 8.035 -0.412 18976 8554 1 10 . 1 1 136 136 ASP N N 136 120.541 120.541 120.637 -0.096 18976 8555 1 10 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.544 -0.064 18976 8556 1 10 . 1 1 136 136 ASP C C 136 177.584 177.584 177.947 -0.363 18976 8557 1 10 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.714 -0.339 18976 8558 1 10 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.936 -1.043 18976 8559 1 10 . 1 1 136 136 ASP H H 136 8.290 8.290 8.215 0.075 18976 8560 1 10 . 1 1 137 137 GLY N N 137 112.490 112.490 109.190 3.300 18976 8561 1 10 . 1 1 137 137 GLY C C 137 172.828 172.828 173.221 -0.393 18976 8562 1 10 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.308 0.162 18976 8563 1 10 . 1 1 137 137 GLY H H 137 10.224 10.224 8.166 2.058 18976 8564 1 10 . 1 1 138 138 GLN N N 138 115.266 115.266 117.509 -2.243 18976 8565 1 10 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.267 -0.398 18976 8566 1 10 . 1 1 138 138 GLN C C 138 174.677 174.677 174.825 -0.148 18976 8567 1 10 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.704 -1.918 18976 8568 1 10 . 1 1 138 138 GLN CB C 138 31.743 31.743 34.054 -2.311 18976 8569 1 10 . 1 1 138 138 GLN H H 138 7.992 7.992 8.343 -0.351 18976 8570 1 10 . 1 1 139 139 VAL N N 139 125.667 125.667 125.278 0.389 18976 8571 1 10 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.774 0.338 18976 8572 1 10 . 1 1 139 139 VAL C C 139 175.763 175.763 175.658 0.105 18976 8573 1 10 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.897 0.782 18976 8574 1 10 . 1 1 139 139 VAL CB C 139 33.532 33.532 33.370 0.162 18976 8575 1 10 . 1 1 139 139 VAL H H 139 9.227 9.227 8.352 0.875 18976 8576 1 10 . 1 1 140 140 ASN N N 140 128.431 128.431 125.060 3.371 18976 8577 1 10 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.438 -0.164 18976 8578 1 10 . 1 1 140 140 ASN C C 140 175.079 175.079 175.836 -0.757 18976 8579 1 10 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.599 -0.933 18976 8580 1 10 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.218 -2.991 18976 8581 1 10 . 1 1 140 140 ASN H H 140 9.360 9.360 8.445 0.915 18976 8582 1 10 . 1 1 141 141 TYR N N 141 119.146 119.146 121.021 -1.875 18976 8583 1 10 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.622 -0.236 18976 8584 1 10 . 1 1 141 141 TYR C C 141 176.092 176.092 176.972 -0.880 18976 8585 1 10 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.984 0.074 18976 8586 1 10 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.207 -0.848 18976 8587 1 10 . 1 1 141 141 TYR H H 141 8.451 8.451 8.847 -0.396 18976 8588 1 10 . 1 1 142 142 GLU N N 142 118.431 118.431 117.614 0.817 18976 8589 1 10 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.887 -0.205 18976 8590 1 10 . 1 1 142 142 GLU C C 142 180.226 180.226 177.423 2.803 18976 8591 1 10 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.052 1.031 18976 8592 1 10 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.844 -0.298 18976 8593 1 10 . 1 1 142 142 GLU H H 142 8.097 8.097 8.703 -0.606 18976 8594 1 10 . 1 1 143 143 GLU N N 143 120.068 120.068 118.922 1.146 18976 8595 1 10 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.228 -0.238 18976 8596 1 10 . 1 1 143 143 GLU C C 143 179.060 179.060 178.515 0.545 18976 8597 1 10 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.503 0.071 18976 8598 1 10 . 1 1 143 143 GLU CB C 143 29.182 29.182 30.212 -1.030 18976 8599 1 10 . 1 1 143 143 GLU H H 143 8.667 8.667 7.319 1.348 18976 8600 1 10 . 1 1 144 144 PHE N N 144 123.392 123.392 122.164 1.228 18976 8601 1 10 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.161 -0.194 18976 8602 1 10 . 1 1 144 144 PHE C C 144 176.982 176.982 177.500 -0.518 18976 8603 1 10 . 1 1 144 144 PHE CA C 144 61.446 61.446 60.898 0.548 18976 8604 1 10 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.139 0.555 18976 8605 1 10 . 1 1 144 144 PHE H H 144 8.731 8.731 8.859 -0.128 18976 8606 1 10 . 1 1 145 145 VAL N N 145 119.201 119.201 118.306 0.895 18976 8607 1 10 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.294 -0.101 18976 8608 1 10 . 1 1 145 145 VAL C C 145 179.228 179.228 177.516 1.712 18976 8609 1 10 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.480 1.182 18976 8610 1 10 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.110 0.174 18976 8611 1 10 . 1 1 145 145 VAL H H 145 8.671 8.671 7.512 1.159 18976 8612 1 10 . 1 1 146 146 GLN N N 146 119.252 119.252 117.523 1.729 18976 8613 1 10 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.937 -0.021 18976 8614 1 10 . 1 1 146 146 GLN C C 146 177.825 177.825 178.051 -0.226 18976 8615 1 10 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.902 -0.335 18976 8616 1 10 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.182 -0.362 18976 8617 1 10 . 1 1 146 146 GLN H H 146 7.767 7.767 8.003 -0.236 18976 8618 1 10 . 1 1 147 147 ARG N N 147 118.529 118.529 119.507 -0.978 18976 8619 1 10 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.012 0.160 18976 8620 1 10 . 1 1 147 147 ARG C C 147 178.112 178.112 177.514 0.598 18976 8621 1 10 . 1 1 147 147 ARG CA C 147 57.509 57.509 59.125 -1.616 18976 8622 1 10 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.817 0.297 18976 8623 1 10 . 1 1 147 147 ARG H H 147 7.628 7.628 7.414 0.214 18976 8624 1 10 . 1 1 148 148 MET N N 148 115.755 115.755 116.066 -0.311 18976 8625 1 10 . 1 1 148 148 MET HA H 148 4.304 4.304 4.327 -0.023 18976 8626 1 10 . 1 1 148 148 MET C C 148 177.628 177.628 177.088 0.540 18976 8627 1 10 . 1 1 148 148 MET CA C 148 55.489 55.489 56.294 -0.805 18976 8628 1 10 . 1 1 148 148 MET CB C 148 31.773 31.773 32.474 -0.701 18976 8629 1 10 . 1 1 148 148 MET H H 148 8.003 8.003 7.289 0.714 18976 8630 1 10 . 1 1 149 149 THR N N 149 110.062 110.062 114.630 -4.568 18976 8631 1 10 . 1 1 149 149 THR HA H 149 4.349 4.349 4.139 0.210 18976 8632 1 10 . 1 1 149 149 THR C C 149 174.149 174.149 174.881 -0.732 18976 8633 1 10 . 1 1 149 149 THR CA C 149 61.775 61.775 64.220 -2.445 18976 8634 1 10 . 1 1 149 149 THR CB C 149 69.780 69.780 68.819 0.961 18976 8635 1 10 . 1 1 149 149 THR H H 149 7.682 7.682 7.599 0.083 18976 8636 1 10 . 1 1 150 150 ALA N N 150 126.503 126.503 126.117 0.386 18976 8637 1 10 . 1 1 150 150 ALA HA H 150 4.330 4.330 3.985 0.345 18976 8638 1 10 . 1 1 150 150 ALA CA C 150 52.535 52.535 53.241 -0.706 18976 8639 1 10 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.572 0.162 18976 8640 1 10 . 1 1 150 150 ALA H H 150 7.651 7.651 7.485 0.166 18976 8641 1 11 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.366 0.055 18976 8642 1 11 . 1 1 2 2 LEU C C 2 177.129 177.129 179.036 -1.907 18976 8643 1 11 . 1 1 2 2 LEU CA C 2 55.122 55.122 57.653 -2.531 18976 8644 1 11 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.413 1.040 18976 8645 1 11 . 1 1 2 2 LEU H H 2 8.641 8.641 8.185 0.456 18976 8646 1 11 . 1 1 3 3 MET N N 3 120.143 120.143 116.675 3.468 18976 8647 1 11 . 1 1 3 3 MET HA H 3 4.451 4.451 4.052 0.399 18976 8648 1 11 . 1 1 3 3 MET C C 3 176.835 176.835 177.761 -0.926 18976 8649 1 11 . 1 1 3 3 MET CA C 3 55.160 55.160 58.233 -3.073 18976 8650 1 11 . 1 1 3 3 MET CB C 3 32.584 32.584 31.479 1.105 18976 8651 1 11 . 1 1 3 3 MET H H 3 8.396 8.396 7.943 0.453 18976 8652 1 11 . 1 1 4 4 ALA N N 4 123.344 123.344 118.105 5.239 18976 8653 1 11 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.035 0.025 18976 8654 1 11 . 1 1 4 4 ALA C C 4 177.922 177.922 177.974 -0.052 18976 8655 1 11 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.303 0.247 18976 8656 1 11 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.476 0.080 18976 8657 1 11 . 1 1 4 4 ALA H H 4 8.396 8.396 7.588 0.808 18976 8658 1 11 . 1 1 5 5 ASP N N 5 116.052 116.052 117.866 -1.814 18976 8659 1 11 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.610 -0.101 18976 8660 1 11 . 1 1 5 5 ASP C C 5 176.366 176.366 177.483 -1.117 18976 8661 1 11 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.428 -0.805 18976 8662 1 11 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.166 -0.902 18976 8663 1 11 . 1 1 5 5 ASP H H 5 8.114 8.114 7.680 0.434 18976 8664 1 11 . 1 1 6 6 GLN N N 6 117.717 117.717 117.227 0.490 18976 8665 1 11 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.279 0.098 18976 8666 1 11 . 1 1 6 6 GLN C C 6 175.842 175.842 176.599 -0.757 18976 8667 1 11 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.846 -0.534 18976 8668 1 11 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.328 0.263 18976 8669 1 11 . 1 1 6 6 GLN H H 6 7.935 7.935 7.839 0.096 18976 8670 1 11 . 1 1 7 7 LEU N N 7 121.086 121.086 121.215 -0.129 18976 8671 1 11 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.446 0.230 18976 8672 1 11 . 1 1 7 7 LEU C C 7 177.496 177.496 176.888 0.608 18976 8673 1 11 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.553 -0.489 18976 8674 1 11 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.407 0.861 18976 8675 1 11 . 1 1 7 7 LEU H H 7 7.713 7.713 7.413 0.300 18976 8676 1 11 . 1 1 8 8 THR N N 8 112.688 112.688 110.484 2.204 18976 8677 1 11 . 1 1 8 8 THR HA H 8 4.475 4.475 4.565 -0.090 18976 8678 1 11 . 1 1 8 8 THR C C 8 175.511 175.511 175.559 -0.048 18976 8679 1 11 . 1 1 8 8 THR CA C 8 60.256 60.256 60.097 0.159 18976 8680 1 11 . 1 1 8 8 THR CB C 8 71.019 71.019 70.502 0.517 18976 8681 1 11 . 1 1 8 8 THR H H 8 8.800 8.800 8.030 0.770 18976 8682 1 11 . 1 1 9 9 GLU N N 9 120.380 120.380 121.007 -0.627 18976 8683 1 11 . 1 1 9 9 GLU HA H 9 3.980 3.980 3.999 -0.019 18976 8684 1 11 . 1 1 9 9 GLU C C 9 179.492 179.492 178.924 0.568 18976 8685 1 11 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.687 0.239 18976 8686 1 11 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.407 -0.482 18976 8687 1 11 . 1 1 9 9 GLU H H 9 9.040 9.040 8.975 0.065 18976 8688 1 11 . 1 1 10 10 GLU N N 10 119.361 119.361 118.121 1.240 18976 8689 1 11 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.079 -0.005 18976 8690 1 11 . 1 1 10 10 GLU C C 10 179.185 179.185 178.542 0.643 18976 8691 1 11 . 1 1 10 10 GLU CA C 10 59.767 59.767 58.942 0.825 18976 8692 1 11 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.868 -0.072 18976 8693 1 11 . 1 1 10 10 GLU H H 10 8.729 8.729 8.832 -0.103 18976 8694 1 11 . 1 1 11 11 GLN N N 11 120.302 120.302 119.693 0.609 18976 8695 1 11 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.121 -0.253 18976 8696 1 11 . 1 1 11 11 GLN C C 11 178.318 178.318 178.844 -0.526 18976 8697 1 11 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.414 -0.031 18976 8698 1 11 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.166 -0.281 18976 8699 1 11 . 1 1 11 11 GLN H H 11 7.747 7.747 7.542 0.205 18976 8700 1 11 . 1 1 12 12 ILE N N 12 119.533 119.533 120.210 -0.677 18976 8701 1 11 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.000 -0.282 18976 8702 1 11 . 1 1 12 12 ILE C C 12 177.731 177.731 177.771 -0.040 18976 8703 1 11 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.025 0.934 18976 8704 1 11 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.724 -0.213 18976 8705 1 11 . 1 1 12 12 ILE H H 12 8.456 8.456 8.058 0.398 18976 8706 1 11 . 1 1 13 13 ALA N N 13 121.161 121.161 122.893 -1.732 18976 8707 1 11 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.966 0.173 18976 8708 1 11 . 1 1 13 13 ALA C C 13 181.019 181.019 179.693 1.326 18976 8709 1 11 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.638 -0.515 18976 8710 1 11 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.101 -0.597 18976 8711 1 11 . 1 1 13 13 ALA H H 13 8.018 8.018 8.003 0.015 18976 8712 1 11 . 1 1 14 14 GLU N N 14 119.619 119.619 118.128 1.491 18976 8713 1 11 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.054 0.110 18976 8714 1 11 . 1 1 14 14 GLU C C 14 180.534 180.534 179.211 1.323 18976 8715 1 11 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.427 0.697 18976 8716 1 11 . 1 1 14 14 GLU CB C 14 28.853 28.853 28.952 -0.099 18976 8717 1 11 . 1 1 14 14 GLU H H 14 7.792 7.792 7.736 0.056 18976 8718 1 11 . 1 1 15 15 PHE N N 15 120.089 120.089 119.821 0.268 18976 8719 1 11 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.453 0.611 18976 8720 1 11 . 1 1 15 15 PHE C C 15 178.700 178.700 177.882 0.818 18976 8721 1 11 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.383 -2.526 18976 8722 1 11 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.684 -1.208 18976 8723 1 11 . 1 1 15 15 PHE H H 15 8.587 8.587 8.015 0.572 18976 8724 1 11 . 1 1 16 16 LYS N N 16 123.715 123.715 119.868 3.847 18976 8725 1 11 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.061 -0.016 18976 8726 1 11 . 1 1 16 16 LYS C C 16 179.327 179.327 179.148 0.179 18976 8727 1 11 . 1 1 16 16 LYS CA C 16 59.870 59.870 60.175 -0.305 18976 8728 1 11 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.997 -0.424 18976 8729 1 11 . 1 1 16 16 LYS H H 16 9.256 9.256 8.624 0.632 18976 8730 1 11 . 1 1 17 17 GLU N N 17 120.262 120.262 118.679 1.583 18976 8731 1 11 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.111 0.045 18976 8732 1 11 . 1 1 17 17 GLU C C 17 179.456 179.456 179.053 0.403 18976 8733 1 11 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.001 0.006 18976 8734 1 11 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.168 -0.359 18976 8735 1 11 . 1 1 17 17 GLU H H 17 7.774 7.774 7.721 0.053 18976 8736 1 11 . 1 1 18 18 ALA N N 18 122.590 122.590 122.290 0.300 18976 8737 1 11 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.065 0.250 18976 8738 1 11 . 1 1 18 18 ALA C C 18 179.060 179.060 179.356 -0.296 18976 8739 1 11 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.780 0.049 18976 8740 1 11 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.201 -0.403 18976 8741 1 11 . 1 1 18 18 ALA H H 18 8.001 8.001 7.987 0.014 18976 8742 1 11 . 1 1 19 19 PHE N N 19 119.363 119.363 118.544 0.819 18976 8743 1 11 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.497 -0.263 18976 8744 1 11 . 1 1 19 19 PHE C C 19 177.290 177.290 177.413 -0.123 18976 8745 1 11 . 1 1 19 19 PHE CA C 19 61.757 61.757 59.290 2.467 18976 8746 1 11 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.524 0.614 18976 8747 1 11 . 1 1 19 19 PHE H H 19 8.859 8.859 8.306 0.553 18976 8748 1 11 . 1 1 20 20 SER N N 20 112.556 112.556 114.544 -1.988 18976 8749 1 11 . 1 1 20 20 SER HA H 20 4.142 4.142 4.000 0.142 18976 8750 1 11 . 1 1 20 20 SER C C 20 174.955 174.955 175.783 -0.828 18976 8751 1 11 . 1 1 20 20 SER CA C 20 61.007 61.007 61.814 -0.807 18976 8752 1 11 . 1 1 20 20 SER CB C 20 62.960 62.960 63.299 -0.339 18976 8753 1 11 . 1 1 20 20 SER H H 20 7.934 7.934 7.693 0.241 18976 8754 1 11 . 1 1 21 21 LEU N N 21 120.816 120.816 121.106 -0.290 18976 8755 1 11 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.153 -0.137 18976 8756 1 11 . 1 1 21 21 LEU C C 21 178.010 178.010 178.220 -0.210 18976 8757 1 11 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.041 -0.246 18976 8758 1 11 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.161 -1.029 18976 8759 1 11 . 1 1 21 21 LEU H H 21 7.434 7.434 7.444 -0.010 18976 8760 1 11 . 1 1 22 22 PHE N N 22 115.049 115.049 113.704 1.345 18976 8761 1 11 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.332 -0.088 18976 8762 1 11 . 1 1 22 22 PHE C C 22 176.762 176.762 176.949 -0.187 18976 8763 1 11 . 1 1 22 22 PHE CA C 22 59.020 59.020 57.861 1.159 18976 8764 1 11 . 1 1 22 22 PHE CB C 22 40.730 40.730 38.790 1.940 18976 8765 1 11 . 1 1 22 22 PHE H H 22 7.326 7.326 7.987 -0.661 18976 8766 1 11 . 1 1 23 23 ASP N N 23 117.496 117.496 119.791 -2.295 18976 8767 1 11 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.924 -0.373 18976 8768 1 11 . 1 1 23 23 ASP C C 23 177.167 177.167 176.840 0.327 18976 8769 1 11 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.079 -1.038 18976 8770 1 11 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.519 -0.921 18976 8771 1 11 . 1 1 23 23 ASP H H 23 7.851 7.851 7.522 0.329 18976 8772 1 11 . 1 1 24 24 LYS N N 24 124.470 124.470 123.184 1.286 18976 8773 1 11 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.969 0.015 18976 8774 1 11 . 1 1 24 24 LYS C C 24 178.127 178.127 177.530 0.597 18976 8775 1 11 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.712 -0.554 18976 8776 1 11 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.251 0.132 18976 8777 1 11 . 1 1 24 24 LYS H H 24 7.687 7.687 7.755 -0.068 18976 8778 1 11 . 1 1 25 25 ASP N N 25 113.822 113.822 116.706 -2.884 18976 8779 1 11 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.461 0.145 18976 8780 1 11 . 1 1 25 25 ASP C C 25 177.687 177.687 177.248 0.439 18976 8781 1 11 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.739 -1.280 18976 8782 1 11 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.325 -0.134 18976 8783 1 11 . 1 1 25 25 ASP H H 25 8.067 8.067 8.107 -0.040 18976 8784 1 11 . 1 1 26 26 GLY N N 26 109.208 109.208 108.686 0.522 18976 8785 1 11 . 1 1 26 26 GLY C C 26 175.132 175.132 174.809 0.323 18976 8786 1 11 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.790 1.084 18976 8787 1 11 . 1 1 26 26 GLY H H 26 7.698 7.698 7.750 -0.052 18976 8788 1 11 . 1 1 27 27 ASP N N 27 120.603 120.603 119.013 1.590 18976 8789 1 11 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.634 -0.111 18976 8790 1 11 . 1 1 27 27 ASP C C 27 177.452 177.452 177.377 0.075 18976 8791 1 11 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.832 -0.339 18976 8792 1 11 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.983 -1.735 18976 8793 1 11 . 1 1 27 27 ASP H H 27 8.397 8.397 8.322 0.075 18976 8794 1 11 . 1 1 28 28 GLY N N 28 113.187 113.187 109.521 3.666 18976 8795 1 11 . 1 1 28 28 GLY C C 28 173.679 173.679 173.438 0.241 18976 8796 1 11 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.016 0.165 18976 8797 1 11 . 1 1 28 28 GLY H H 28 10.648 10.648 8.696 1.952 18976 8798 1 11 . 1 1 29 29 THR N N 29 112.865 112.865 110.108 2.757 18976 8799 1 11 . 1 1 29 29 THR HA H 29 5.310 5.310 5.044 0.266 18976 8800 1 11 . 1 1 29 29 THR C C 29 172.872 172.872 173.186 -0.314 18976 8801 1 11 . 1 1 29 29 THR CA C 29 59.764 59.764 60.479 -0.715 18976 8802 1 11 . 1 1 29 29 THR CB C 29 72.319 72.319 71.805 0.514 18976 8803 1 11 . 1 1 29 29 THR H H 29 8.144 8.144 7.970 0.174 18976 8804 1 11 . 1 1 30 30 ILE N N 30 127.035 127.035 126.585 0.450 18976 8805 1 11 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.771 0.209 18976 8806 1 11 . 1 1 30 30 ILE C C 30 176.072 176.072 175.930 0.142 18976 8807 1 11 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.500 -0.356 18976 8808 1 11 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.820 1.482 18976 8809 1 11 . 1 1 30 30 ILE H H 30 9.821 9.821 8.995 0.826 18976 8810 1 11 . 1 1 31 31 THR N N 31 116.509 116.509 119.000 -2.491 18976 8811 1 11 . 1 1 31 31 THR HA H 31 4.800 4.800 4.731 0.069 18976 8812 1 11 . 1 1 31 31 THR C C 31 176.542 176.542 176.412 0.130 18976 8813 1 11 . 1 1 31 31 THR CA C 31 59.396 59.396 60.480 -1.085 18976 8814 1 11 . 1 1 31 31 THR CB C 31 72.162 72.162 70.363 1.799 18976 8815 1 11 . 1 1 31 31 THR H H 31 8.469 8.469 8.631 -0.162 18976 8816 1 11 . 1 1 32 32 THR N N 32 112.790 112.790 113.823 -1.033 18976 8817 1 11 . 1 1 32 32 THR HA H 32 3.803 3.803 3.801 0.002 18976 8818 1 11 . 1 1 32 32 THR C C 32 177.188 177.188 176.700 0.488 18976 8819 1 11 . 1 1 32 32 THR CA C 32 66.253 66.253 66.982 -0.729 18976 8820 1 11 . 1 1 32 32 THR CB C 32 67.459 67.459 68.848 -1.389 18976 8821 1 11 . 1 1 32 32 THR H H 32 9.128 9.128 8.890 0.238 18976 8822 1 11 . 1 1 33 33 LYS N N 33 120.844 120.844 121.354 -0.510 18976 8823 1 11 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.019 0.129 18976 8824 1 11 . 1 1 33 33 LYS C C 33 179.880 179.880 178.852 1.028 18976 8825 1 11 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.714 -0.775 18976 8826 1 11 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.132 0.103 18976 8827 1 11 . 1 1 33 33 LYS H H 33 7.695 7.695 8.325 -0.629 18976 8828 1 11 . 1 1 34 34 GLU N N 34 121.463 121.463 119.635 1.828 18976 8829 1 11 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.070 -0.002 18976 8830 1 11 . 1 1 34 34 GLU C C 34 179.140 179.140 178.463 0.677 18976 8831 1 11 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.891 0.248 18976 8832 1 11 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.557 -0.012 18976 8833 1 11 . 1 1 34 34 GLU H H 34 7.687 7.687 7.979 -0.292 18976 8834 1 11 . 1 1 35 35 LEU N N 35 120.583 120.583 120.044 0.539 18976 8835 1 11 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.260 -0.137 18976 8836 1 11 . 1 1 35 35 LEU C C 35 178.934 178.934 178.107 0.827 18976 8837 1 11 . 1 1 35 35 LEU CA C 35 57.827 57.827 56.474 1.353 18976 8838 1 11 . 1 1 35 35 LEU CB C 35 42.380 42.380 42.210 0.170 18976 8839 1 11 . 1 1 35 35 LEU H H 35 8.745 8.745 7.973 0.772 18976 8840 1 11 . 1 1 36 36 GLY N N 36 128.127 128.127 106.507 21.620 18976 8841 1 11 . 1 1 36 36 GLY C C 36 175.177 175.177 176.035 -0.858 18976 8842 1 11 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.597 0.406 18976 8843 1 11 . 1 1 36 36 GLY H H 36 8.670 8.670 8.308 0.362 18976 8844 1 11 . 1 1 37 37 THR N N 37 117.925 117.925 117.793 0.132 18976 8845 1 11 . 1 1 37 37 THR HA H 37 3.938 3.938 3.968 -0.030 18976 8846 1 11 . 1 1 37 37 THR C C 37 177.137 177.137 176.591 0.546 18976 8847 1 11 . 1 1 37 37 THR CA C 37 66.648 66.648 66.632 0.017 18976 8848 1 11 . 1 1 37 37 THR CB C 37 68.383 68.383 68.549 -0.166 18976 8849 1 11 . 1 1 37 37 THR H H 37 7.930 7.930 7.646 0.284 18976 8850 1 11 . 1 1 38 38 VAL N N 38 122.046 122.046 121.068 0.978 18976 8851 1 11 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.579 -0.056 18976 8852 1 11 . 1 1 38 38 VAL C C 38 179.243 179.243 177.979 1.264 18976 8853 1 11 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.497 0.465 18976 8854 1 11 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.470 -0.400 18976 8855 1 11 . 1 1 38 38 VAL H H 38 7.643 7.643 7.268 0.375 18976 8856 1 11 . 1 1 39 39 MET N N 39 118.442 118.442 117.733 0.709 18976 8857 1 11 . 1 1 39 39 MET HA H 39 4.133 4.133 4.138 -0.005 18976 8858 1 11 . 1 1 39 39 MET C C 39 179.125 179.125 177.982 1.143 18976 8859 1 11 . 1 1 39 39 MET CA C 39 58.886 58.886 58.531 0.355 18976 8860 1 11 . 1 1 39 39 MET CB C 39 31.211 31.211 32.176 -0.965 18976 8861 1 11 . 1 1 39 39 MET H H 39 8.497 8.497 7.727 0.770 18976 8862 1 11 . 1 1 40 40 ARG N N 40 118.929 118.929 120.132 -1.203 18976 8863 1 11 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.374 0.459 18976 8864 1 11 . 1 1 40 40 ARG C C 40 181.224 181.224 178.808 2.416 18976 8865 1 11 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.088 -0.202 18976 8866 1 11 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.974 -1.139 18976 8867 1 11 . 1 1 40 40 ARG H H 40 8.536 8.536 7.916 0.620 18976 8868 1 11 . 1 1 41 41 SER N N 41 118.832 118.832 113.946 4.886 18976 8869 1 11 . 1 1 41 41 SER HA H 41 4.425 4.425 4.294 0.131 18976 8870 1 11 . 1 1 41 41 SER C C 41 174.839 174.839 175.730 -0.891 18976 8871 1 11 . 1 1 41 41 SER CA C 41 61.249 61.249 60.160 1.089 18976 8872 1 11 . 1 1 41 41 SER CB C 41 62.464 62.464 63.099 -0.635 18976 8873 1 11 . 1 1 41 41 SER H H 41 7.925 7.925 7.589 0.336 18976 8874 1 11 . 1 1 42 42 LEU N N 42 120.676 120.676 120.751 -0.075 18976 8875 1 11 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.363 0.154 18976 8876 1 11 . 1 1 42 42 LEU C C 42 177.540 177.540 177.297 0.243 18976 8877 1 11 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.330 -0.098 18976 8878 1 11 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.073 0.597 18976 8879 1 11 . 1 1 42 42 LEU H H 42 7.395 7.395 7.388 0.007 18976 8880 1 11 . 1 1 43 43 GLY N N 43 106.840 106.840 108.101 -1.261 18976 8881 1 11 . 1 1 43 43 GLY C C 43 174.384 174.384 174.021 0.363 18976 8882 1 11 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.066 0.242 18976 8883 1 11 . 1 1 43 43 GLY H H 43 7.885 7.885 7.732 0.153 18976 8884 1 11 . 1 1 44 44 GLN N N 44 118.414 118.414 119.305 -0.891 18976 8885 1 11 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.495 0.007 18976 8886 1 11 . 1 1 44 44 GLN C C 44 174.134 174.134 175.009 -0.875 18976 8887 1 11 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.419 -0.235 18976 8888 1 11 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.945 -0.671 18976 8889 1 11 . 1 1 44 44 GLN H H 44 7.805 7.805 7.588 0.217 18976 8890 1 11 . 1 1 45 45 ASN N N 45 116.265 116.265 121.337 -5.072 18976 8891 1 11 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.109 0.092 18976 8892 1 11 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.528 -0.571 18976 8893 1 11 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.871 0.038 18976 8894 1 11 . 1 1 45 45 ASN H H 45 8.733 8.733 8.659 0.074 18976 8895 1 11 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.851 -0.064 18976 8896 1 11 . 1 1 46 46 PRO C C 46 177.745 177.745 176.452 1.293 18976 8897 1 11 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.068 0.037 18976 8898 1 11 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.779 -1.076 18976 8899 1 11 . 1 1 47 47 THR N N 47 112.958 112.958 116.272 -3.314 18976 8900 1 11 . 1 1 47 47 THR HA H 47 4.451 4.451 4.491 -0.040 18976 8901 1 11 . 1 1 47 47 THR C C 47 175.159 175.159 175.971 -0.812 18976 8902 1 11 . 1 1 47 47 THR CA C 47 60.078 60.078 59.363 0.715 18976 8903 1 11 . 1 1 47 47 THR CB C 47 71.001 71.001 71.646 -0.645 18976 8904 1 11 . 1 1 47 47 THR H H 47 8.767 8.767 8.511 0.256 18976 8905 1 11 . 1 1 48 48 GLU N N 48 120.607 120.607 124.484 -3.877 18976 8906 1 11 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.984 0.022 18976 8907 1 11 . 1 1 48 48 GLU C C 48 178.949 178.949 177.733 1.216 18976 8908 1 11 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.349 0.392 18976 8909 1 11 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.235 -0.544 18976 8910 1 11 . 1 1 48 48 GLU H H 48 8.824 8.824 9.010 -0.186 18976 8911 1 11 . 1 1 49 49 ALA N N 49 120.678 120.678 122.543 -1.865 18976 8912 1 11 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.053 0.066 18976 8913 1 11 . 1 1 49 49 ALA C C 49 180.226 180.226 179.749 0.477 18976 8914 1 11 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.857 -0.141 18976 8915 1 11 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.157 -0.284 18976 8916 1 11 . 1 1 49 49 ALA H H 49 8.279 8.279 7.778 0.501 18976 8917 1 11 . 1 1 50 50 GLU N N 50 118.703 118.703 119.134 -0.431 18976 8918 1 11 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.060 -0.008 18976 8919 1 11 . 1 1 50 50 GLU C C 50 180.182 180.182 179.205 0.977 18976 8920 1 11 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.144 -0.287 18976 8921 1 11 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.496 -0.128 18976 8922 1 11 . 1 1 50 50 GLU H H 50 7.712 7.712 7.668 0.044 18976 8923 1 11 . 1 1 51 51 LEU N N 51 120.420 120.420 117.951 2.469 18976 8924 1 11 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.184 -0.090 18976 8925 1 11 . 1 1 51 51 LEU C C 51 178.494 178.494 179.354 -0.860 18976 8926 1 11 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.638 1.041 18976 8927 1 11 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.516 1.540 18976 8928 1 11 . 1 1 51 51 LEU H H 51 8.192 8.192 7.750 0.442 18976 8929 1 11 . 1 1 52 52 GLN N N 52 118.200 118.200 119.651 -1.451 18976 8930 1 11 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.012 -0.174 18976 8931 1 11 . 1 1 52 52 GLN C C 52 178.518 178.518 177.982 0.536 18976 8932 1 11 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.852 -0.655 18976 8933 1 11 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.025 -0.121 18976 8934 1 11 . 1 1 52 52 GLN H H 52 8.212 8.212 7.893 0.319 18976 8935 1 11 . 1 1 53 53 ASP N N 53 119.922 119.922 120.306 -0.384 18976 8936 1 11 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.433 -0.003 18976 8937 1 11 . 1 1 53 53 ASP C C 53 178.635 178.635 178.321 0.314 18976 8938 1 11 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.293 -0.031 18976 8939 1 11 . 1 1 53 53 ASP CB C 53 39.962 39.962 41.001 -1.039 18976 8940 1 11 . 1 1 53 53 ASP H H 53 8.108 8.108 7.589 0.519 18976 8941 1 11 . 1 1 54 54 MET N N 54 119.290 119.290 118.291 0.999 18976 8942 1 11 . 1 1 54 54 MET HA H 54 4.044 4.044 4.171 -0.127 18976 8943 1 11 . 1 1 54 54 MET C C 54 178.876 178.876 179.157 -0.281 18976 8944 1 11 . 1 1 54 54 MET CA C 54 59.108 59.108 58.609 0.499 18976 8945 1 11 . 1 1 54 54 MET CB C 54 32.930 32.930 32.746 0.184 18976 8946 1 11 . 1 1 54 54 MET H H 54 7.865 7.865 7.731 0.134 18976 8947 1 11 . 1 1 55 55 ILE N N 55 118.056 118.056 120.732 -2.676 18976 8948 1 11 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.575 -0.060 18976 8949 1 11 . 1 1 55 55 ILE C C 55 177.760 177.760 177.465 0.295 18976 8950 1 11 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.040 -0.560 18976 8951 1 11 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.951 -0.971 18976 8952 1 11 . 1 1 55 55 ILE H H 55 7.710 7.710 8.000 -0.290 18976 8953 1 11 . 1 1 56 56 ASN N N 56 117.688 117.688 117.520 0.168 18976 8954 1 11 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.391 0.001 18976 8955 1 11 . 1 1 56 56 ASN C C 56 177.393 177.393 177.056 0.337 18976 8956 1 11 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.718 -0.132 18976 8957 1 11 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.761 -0.106 18976 8958 1 11 . 1 1 56 56 ASN H H 56 8.606 8.606 8.159 0.447 18976 8959 1 11 . 1 1 57 57 GLU N N 57 116.316 116.316 116.799 -0.483 18976 8960 1 11 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.254 -0.211 18976 8961 1 11 . 1 1 57 57 GLU C C 57 177.569 177.569 177.917 -0.348 18976 8962 1 11 . 1 1 57 57 GLU CA C 57 58.632 58.632 57.628 1.004 18976 8963 1 11 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.845 0.254 18976 8964 1 11 . 1 1 57 57 GLU H H 57 7.580 7.580 7.930 -0.350 18976 8965 1 11 . 1 1 58 58 VAL N N 58 108.390 108.390 113.617 -5.227 18976 8966 1 11 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.252 0.230 18976 8967 1 11 . 1 1 58 58 VAL C C 58 175.749 175.749 175.699 0.050 18976 8968 1 11 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.019 -1.602 18976 8969 1 11 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.465 -0.099 18976 8970 1 11 . 1 1 58 58 VAL H H 58 7.219 7.219 7.469 -0.250 18976 8971 1 11 . 1 1 59 59 ASP N N 59 121.728 121.728 120.671 1.057 18976 8972 1 11 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.864 -0.222 18976 8973 1 11 . 1 1 59 59 ASP C C 59 176.219 176.219 175.833 0.386 18976 8974 1 11 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.128 -0.660 18976 8975 1 11 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.960 -2.095 18976 8976 1 11 . 1 1 59 59 ASP H H 59 7.674 7.674 7.689 -0.015 18976 8977 1 11 . 1 1 60 60 ALA N N 60 109.214 109.214 129.976 -20.762 18976 8978 1 11 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.135 0.081 18976 8979 1 11 . 1 1 60 60 ALA C C 60 178.626 178.626 178.466 0.160 18976 8980 1 11 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.099 -0.114 18976 8981 1 11 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.868 -0.722 18976 8982 1 11 . 1 1 60 60 ALA H H 60 8.481 8.481 8.424 0.057 18976 8983 1 11 . 1 1 61 61 ASP N N 61 113.667 113.667 118.040 -4.373 18976 8984 1 11 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.447 0.176 18976 8985 1 11 . 1 1 61 61 ASP C C 61 177.848 177.848 177.956 -0.108 18976 8986 1 11 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.401 -1.990 18976 8987 1 11 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.028 -1.477 18976 8988 1 11 . 1 1 61 61 ASP H H 61 8.158 8.158 8.016 0.142 18976 8989 1 11 . 1 1 62 62 GLY N N 62 108.314 108.314 109.108 -0.794 18976 8990 1 11 . 1 1 62 62 GLY C C 62 174.933 174.933 175.027 -0.094 18976 8991 1 11 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.403 1.539 18976 8992 1 11 . 1 1 62 62 GLY H H 62 7.585 7.585 8.333 -0.748 18976 8993 1 11 . 1 1 63 63 ASN N N 63 118.384 118.384 118.347 0.037 18976 8994 1 11 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.751 -0.094 18976 8995 1 11 . 1 1 63 63 ASN C C 63 176.835 176.835 176.730 0.105 18976 8996 1 11 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.190 0.033 18976 8997 1 11 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.220 -1.854 18976 8998 1 11 . 1 1 63 63 ASN H H 63 8.086 8.086 8.654 -0.568 18976 8999 1 11 . 1 1 64 64 GLY N N 64 113.412 113.412 110.240 3.172 18976 9000 1 11 . 1 1 64 64 GLY C C 64 173.254 173.254 173.489 -0.235 18976 9001 1 11 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.515 -0.118 18976 9002 1 11 . 1 1 64 64 GLY H H 64 10.618 10.618 8.224 2.394 18976 9003 1 11 . 1 1 65 65 THR N N 65 108.877 108.877 113.503 -4.626 18976 9004 1 11 . 1 1 65 65 THR HA H 65 4.766 4.766 4.737 0.029 18976 9005 1 11 . 1 1 65 65 THR C C 65 173.195 173.195 173.322 -0.127 18976 9006 1 11 . 1 1 65 65 THR CA C 65 59.301 59.301 61.086 -1.785 18976 9007 1 11 . 1 1 65 65 THR CB C 65 71.695 71.695 72.427 -0.732 18976 9008 1 11 . 1 1 65 65 THR H H 65 7.684 7.684 8.086 -0.402 18976 9009 1 11 . 1 1 66 66 ILE N N 66 123.673 123.673 124.745 -1.072 18976 9010 1 11 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.379 0.811 18976 9011 1 11 . 1 1 66 66 ILE C C 66 175.529 175.529 175.027 0.502 18976 9012 1 11 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.353 -1.669 18976 9013 1 11 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.556 0.861 18976 9014 1 11 . 1 1 66 66 ILE H H 66 8.912 8.912 8.664 0.248 18976 9015 1 11 . 1 1 67 67 ASP N N 67 128.135 128.135 127.768 0.367 18976 9016 1 11 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.133 0.251 18976 9017 1 11 . 1 1 67 67 ASP C C 67 176.322 176.322 176.466 -0.144 18976 9018 1 11 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.670 -1.827 18976 9019 1 11 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.703 -0.916 18976 9020 1 11 . 1 1 67 67 ASP H H 67 8.824 8.824 8.481 0.343 18976 9021 1 11 . 1 1 68 68 PHE N N 68 118.627 118.627 122.840 -4.213 18976 9022 1 11 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.492 0.532 18976 9023 1 11 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.650 0.520 18976 9024 1 11 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.014 -1.413 18976 9025 1 11 . 1 1 68 68 PHE H H 68 8.943 8.943 9.286 -0.343 18976 9026 1 11 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.955 -0.079 18976 9027 1 11 . 1 1 69 69 PRO C C 69 180.037 180.037 178.043 1.994 18976 9028 1 11 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.250 1.142 18976 9029 1 11 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.960 -0.587 18976 9030 1 11 . 1 1 70 70 GLU N N 70 117.615 117.615 117.827 -0.212 18976 9031 1 11 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.200 -0.092 18976 9032 1 11 . 1 1 70 70 GLU C C 70 178.773 178.773 178.530 0.243 18976 9033 1 11 . 1 1 70 70 GLU CA C 70 58.566 58.566 57.603 0.963 18976 9034 1 11 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.371 -0.345 18976 9035 1 11 . 1 1 70 70 GLU H H 70 7.969 7.969 7.731 0.238 18976 9036 1 11 . 1 1 71 71 PHE N N 71 123.460 123.460 122.629 0.831 18976 9037 1 11 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.145 -0.171 18976 9038 1 11 . 1 1 71 71 PHE C C 71 177.041 177.041 176.307 0.734 18976 9039 1 11 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.251 -0.224 18976 9040 1 11 . 1 1 71 71 PHE CB C 71 39.707 39.707 38.940 0.767 18976 9041 1 11 . 1 1 71 71 PHE H H 71 8.861 8.861 8.046 0.815 18976 9042 1 11 . 1 1 72 72 LEU N N 72 118.749 118.749 118.458 0.291 18976 9043 1 11 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.129 0.239 18976 9044 1 11 . 1 1 72 72 LEU C C 72 178.949 178.949 178.755 0.194 18976 9045 1 11 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.861 -0.265 18976 9046 1 11 . 1 1 72 72 LEU CB C 72 40.742 40.742 39.921 0.821 18976 9047 1 11 . 1 1 72 72 LEU H H 72 8.411 8.411 7.378 1.033 18976 9048 1 11 . 1 1 73 73 THR N N 73 115.213 115.213 114.946 0.267 18976 9049 1 11 . 1 1 73 73 THR HA H 73 3.753 3.753 3.760 -0.007 18976 9050 1 11 . 1 1 73 73 THR C C 73 175.955 175.955 176.881 -0.926 18976 9051 1 11 . 1 1 73 73 THR CA C 73 66.313 66.313 65.878 0.435 18976 9052 1 11 . 1 1 73 73 THR CB C 73 68.075 68.075 68.699 -0.624 18976 9053 1 11 . 1 1 73 73 THR H H 73 7.522 7.522 7.323 0.199 18976 9054 1 11 . 1 1 74 74 MET N N 74 121.455 121.455 120.792 0.663 18976 9055 1 11 . 1 1 74 74 MET HA H 74 3.773 3.773 4.065 -0.292 18976 9056 1 11 . 1 1 74 74 MET C C 74 178.098 178.098 177.768 0.330 18976 9057 1 11 . 1 1 74 74 MET CA C 74 58.603 58.603 57.931 0.672 18976 9058 1 11 . 1 1 74 74 MET CB C 74 32.905 32.905 32.166 0.739 18976 9059 1 11 . 1 1 74 74 MET H H 74 7.783 7.783 7.817 -0.034 18976 9060 1 11 . 1 1 75 75 MET N N 75 116.557 116.557 116.528 0.029 18976 9061 1 11 . 1 1 75 75 MET HA H 75 3.998 3.998 4.180 -0.182 18976 9062 1 11 . 1 1 75 75 MET C C 75 178.700 178.700 178.915 -0.215 18976 9063 1 11 . 1 1 75 75 MET CA C 75 55.472 55.472 57.195 -1.723 18976 9064 1 11 . 1 1 75 75 MET CB C 75 30.693 30.693 31.284 -0.591 18976 9065 1 11 . 1 1 75 75 MET H H 75 8.077 8.077 7.905 0.172 18976 9066 1 11 . 1 1 76 76 ALA N N 76 122.410 122.410 120.956 1.454 18976 9067 1 11 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.115 -0.026 18976 9068 1 11 . 1 1 76 76 ALA C C 76 179.683 179.683 179.629 0.054 18976 9069 1 11 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.252 0.124 18976 9070 1 11 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.176 -0.397 18976 9071 1 11 . 1 1 76 76 ALA H H 76 8.303 8.303 8.055 0.248 18976 9072 1 11 . 1 1 77 77 ARG N N 77 116.451 116.451 118.544 -2.093 18976 9073 1 11 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.097 0.005 18976 9074 1 11 . 1 1 77 77 ARG C C 77 177.701 177.701 177.527 0.174 18976 9075 1 11 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.608 -0.566 18976 9076 1 11 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.343 -0.335 18976 9077 1 11 . 1 1 77 77 ARG H H 77 7.622 7.622 7.674 -0.052 18976 9078 1 11 . 1 1 78 78 LYS N N 78 118.021 118.021 117.513 0.508 18976 9079 1 11 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.362 -0.123 18976 9080 1 11 . 1 1 78 78 LYS C C 78 177.525 177.525 176.921 0.604 18976 9081 1 11 . 1 1 78 78 LYS CA C 78 56.721 56.721 56.487 0.234 18976 9082 1 11 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.518 -0.305 18976 9083 1 11 . 1 1 78 78 LYS H H 78 7.577 7.577 7.380 0.197 18976 9084 1 11 . 1 1 79 79 MET N N 79 118.929 118.929 118.491 0.438 18976 9085 1 11 . 1 1 79 79 MET HA H 79 4.351 4.351 4.509 -0.158 18976 9086 1 11 . 1 1 79 79 MET C C 79 176.322 176.322 176.495 -0.173 18976 9087 1 11 . 1 1 79 79 MET CA C 79 56.345 56.345 57.185 -0.840 18976 9088 1 11 . 1 1 79 79 MET CB C 79 32.946 32.946 31.639 1.307 18976 9089 1 11 . 1 1 79 79 MET H H 79 7.772 7.772 7.386 0.386 18976 9090 1 11 . 1 1 80 80 LYS N N 80 120.686 120.686 119.482 1.204 18976 9091 1 11 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.372 -0.045 18976 9092 1 11 . 1 1 80 80 LYS C C 80 176.395 176.395 175.800 0.595 18976 9093 1 11 . 1 1 80 80 LYS CA C 80 56.144 56.144 56.885 -0.741 18976 9094 1 11 . 1 1 80 80 LYS CB C 80 32.808 32.808 33.988 -1.180 18976 9095 1 11 . 1 1 80 80 LYS H H 80 7.955 7.955 7.898 0.057 18976 9096 1 11 . 1 1 81 81 ASP N N 81 121.721 121.721 119.973 1.748 18976 9097 1 11 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.911 -0.222 18976 9098 1 11 . 1 1 81 81 ASP C C 81 176.644 176.644 176.071 0.573 18976 9099 1 11 . 1 1 81 81 ASP CA C 81 54.286 54.286 54.056 0.230 18976 9100 1 11 . 1 1 81 81 ASP CB C 81 40.793 40.793 43.133 -2.340 18976 9101 1 11 . 1 1 81 81 ASP H H 81 8.341 8.341 7.472 0.869 18976 9102 1 11 . 1 1 82 82 THR N N 82 114.594 114.594 110.954 3.640 18976 9103 1 11 . 1 1 82 82 THR HA H 82 4.323 4.323 4.049 0.274 18976 9104 1 11 . 1 1 82 82 THR C C 82 174.584 174.584 175.516 -0.932 18976 9105 1 11 . 1 1 82 82 THR CA C 82 61.955 61.955 64.250 -2.295 18976 9106 1 11 . 1 1 82 82 THR CB C 82 69.586 69.586 67.990 1.596 18976 9107 1 11 . 1 1 82 82 THR H H 82 8.123 8.123 8.815 -0.692 18976 9108 1 11 . 1 1 83 83 ASP N N 83 123.126 123.126 118.141 4.985 18976 9109 1 11 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.529 0.170 18976 9110 1 11 . 1 1 83 83 ASP C C 83 176.674 176.674 177.490 -0.816 18976 9111 1 11 . 1 1 83 83 ASP CA C 83 54.491 54.491 54.923 -0.432 18976 9112 1 11 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.156 0.884 18976 9113 1 11 . 1 1 83 83 ASP H H 83 8.439 8.439 8.580 -0.141 18976 9114 1 11 . 1 1 84 84 SER N N 84 116.982 116.982 116.313 0.669 18976 9115 1 11 . 1 1 84 84 SER HA H 84 4.458 4.458 4.153 0.305 18976 9116 1 11 . 1 1 84 84 SER C C 84 175.393 175.393 176.278 -0.885 18976 9117 1 11 . 1 1 84 84 SER CA C 84 58.943 58.943 61.547 -2.604 18976 9118 1 11 . 1 1 84 84 SER CB C 84 63.550 63.550 62.508 1.042 18976 9119 1 11 . 1 1 84 84 SER H H 84 8.418 8.418 8.640 -0.222 18976 9120 1 11 . 1 1 85 85 GLU N N 85 122.632 122.632 119.665 2.967 18976 9121 1 11 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.041 0.170 18976 9122 1 11 . 1 1 85 85 GLU C C 85 177.716 177.716 178.719 -1.003 18976 9123 1 11 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.094 -0.555 18976 9124 1 11 . 1 1 85 85 GLU CB C 85 29.227 29.227 29.054 0.173 18976 9125 1 11 . 1 1 85 85 GLU H H 85 8.504 8.504 7.973 0.531 18976 9126 1 11 . 1 1 86 86 GLU N N 86 119.077 119.077 118.697 0.380 18976 9127 1 11 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.239 -0.178 18976 9128 1 11 . 1 1 86 86 GLU C C 86 178.885 178.885 178.668 0.217 18976 9129 1 11 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.240 1.125 18976 9130 1 11 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.487 -0.422 18976 9131 1 11 . 1 1 86 86 GLU H H 86 8.333 8.333 7.842 0.491 18976 9132 1 11 . 1 1 87 87 GLU N N 87 119.138 119.138 120.793 -1.655 18976 9133 1 11 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.146 0.000 18976 9134 1 11 . 1 1 87 87 GLU C C 87 179.823 179.823 178.921 0.902 18976 9135 1 11 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.747 0.163 18976 9136 1 11 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.941 -0.675 18976 9137 1 11 . 1 1 87 87 GLU H H 87 8.130 8.130 7.884 0.246 18976 9138 1 11 . 1 1 88 88 LEU N N 88 122.103 122.103 120.486 1.617 18976 9139 1 11 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.326 0.065 18976 9140 1 11 . 1 1 88 88 LEU C C 88 178.905 178.905 178.532 0.373 18976 9141 1 11 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.457 0.259 18976 9142 1 11 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.901 -0.040 18976 9143 1 11 . 1 1 88 88 LEU H H 88 8.152 8.152 8.115 0.037 18976 9144 1 11 . 1 1 89 89 ARG N N 89 120.092 120.092 118.791 1.301 18976 9145 1 11 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.214 -0.164 18976 9146 1 11 . 1 1 89 89 ARG C C 89 179.507 179.507 178.912 0.595 18976 9147 1 11 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.960 -0.549 18976 9148 1 11 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.950 -0.490 18976 9149 1 11 . 1 1 89 89 ARG H H 89 8.499 8.499 7.575 0.924 18976 9150 1 11 . 1 1 90 90 GLU N N 90 119.315 119.315 119.516 -0.201 18976 9151 1 11 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.121 0.046 18976 9152 1 11 . 1 1 90 90 GLU C C 90 178.068 178.068 178.323 -0.255 18976 9153 1 11 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.823 -0.233 18976 9154 1 11 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.292 -0.363 18976 9155 1 11 . 1 1 90 90 GLU H H 90 8.040 8.040 7.688 0.352 18976 9156 1 11 . 1 1 91 91 ALA N N 91 121.794 121.794 121.838 -0.044 18976 9157 1 11 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.104 0.107 18976 9158 1 11 . 1 1 91 91 ALA C C 91 179.855 179.855 179.294 0.561 18976 9159 1 11 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.877 -0.150 18976 9160 1 11 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.167 -0.597 18976 9161 1 11 . 1 1 91 91 ALA H H 91 7.996 7.996 7.909 0.087 18976 9162 1 11 . 1 1 92 92 PHE N N 92 119.368 119.368 119.164 0.204 18976 9163 1 11 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.457 -0.327 18976 9164 1 11 . 1 1 92 92 PHE C C 92 176.454 176.454 176.922 -0.468 18976 9165 1 11 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.348 0.884 18976 9166 1 11 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.646 0.281 18976 9167 1 11 . 1 1 92 92 PHE H H 92 8.360 8.360 7.956 0.404 18976 9168 1 11 . 1 1 93 93 ARG N N 93 117.178 117.178 119.478 -2.300 18976 9169 1 11 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.788 0.077 18976 9170 1 11 . 1 1 93 93 ARG C C 93 178.421 178.421 178.538 -0.117 18976 9171 1 11 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.914 -0.073 18976 9172 1 11 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.112 -0.206 18976 9173 1 11 . 1 1 93 93 ARG H H 93 7.895 7.895 7.420 0.475 18976 9174 1 11 . 1 1 94 94 VAL N N 94 115.719 115.719 119.888 -4.169 18976 9175 1 11 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.615 -0.015 18976 9176 1 11 . 1 1 94 94 VAL C C 94 177.334 177.334 177.915 -0.581 18976 9177 1 11 . 1 1 94 94 VAL CA C 94 65.032 65.032 66.571 -1.539 18976 9178 1 11 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.557 -0.013 18976 9179 1 11 . 1 1 94 94 VAL H H 94 7.541 7.541 7.778 -0.237 18976 9180 1 11 . 1 1 95 95 GLU N N 95 117.921 117.921 117.075 0.846 18976 9181 1 11 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.176 -0.168 18976 9182 1 11 . 1 1 95 95 GLU C C 95 176.953 176.953 176.173 0.780 18976 9183 1 11 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.970 0.286 18976 9184 1 11 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.787 -1.100 18976 9185 1 11 . 1 1 95 95 GLU H H 95 7.011 7.011 8.018 -1.007 18976 9186 1 11 . 1 1 96 96 ASP N N 96 117.365 117.365 118.748 -1.383 18976 9187 1 11 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.698 -0.248 18976 9188 1 11 . 1 1 96 96 ASP C C 96 177.202 177.202 176.894 0.308 18976 9189 1 11 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.885 -2.412 18976 9190 1 11 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.313 -2.239 18976 9191 1 11 . 1 1 96 96 ASP H H 96 7.626 7.626 7.271 0.355 18976 9192 1 11 . 1 1 97 97 LYS N N 97 124.733 124.733 125.569 -0.836 18976 9193 1 11 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.106 -0.205 18976 9194 1 11 . 1 1 97 97 LYS C C 97 178.333 178.333 177.980 0.353 18976 9195 1 11 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.564 1.041 18976 9196 1 11 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.497 -0.067 18976 9197 1 11 . 1 1 97 97 LYS H H 97 7.357 7.357 8.302 -0.945 18976 9198 1 11 . 1 1 98 98 ASP N N 98 114.048 114.048 115.849 -1.801 18976 9199 1 11 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.469 0.099 18976 9200 1 11 . 1 1 98 98 ASP C C 98 177.775 177.775 177.572 0.203 18976 9201 1 11 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.246 -1.589 18976 9202 1 11 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.423 -0.830 18976 9203 1 11 . 1 1 98 98 ASP H H 98 8.352 8.352 7.882 0.470 18976 9204 1 11 . 1 1 99 99 GLY N N 99 109.454 109.454 109.040 0.414 18976 9205 1 11 . 1 1 99 99 GLY C C 99 175.082 175.082 174.941 0.141 18976 9206 1 11 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.642 1.185 18976 9207 1 11 . 1 1 99 99 GLY H H 99 7.828 7.828 7.968 -0.140 18976 9208 1 11 . 1 1 100 100 ASN N N 100 119.607 119.607 118.828 0.779 18976 9209 1 11 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.794 -0.159 18976 9210 1 11 . 1 1 100 100 ASN C C 100 175.969 175.969 176.647 -0.678 18976 9211 1 11 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.714 -0.231 18976 9212 1 11 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.617 -1.736 18976 9213 1 11 . 1 1 100 100 ASN H H 100 8.334 8.334 8.414 -0.080 18976 9214 1 11 . 1 1 101 101 GLY N N 101 113.007 113.007 107.990 5.017 18976 9215 1 11 . 1 1 101 101 GLY C C 101 172.314 172.314 172.748 -0.434 18976 9216 1 11 . 1 1 101 101 GLY CA C 101 44.682 44.682 44.984 -0.302 18976 9217 1 11 . 1 1 101 101 GLY H H 101 10.640 10.640 8.856 1.784 18976 9218 1 11 . 1 1 102 102 TYR N N 102 115.913 115.913 117.775 -1.862 18976 9219 1 11 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.166 0.020 18976 9220 1 11 . 1 1 102 102 TYR C C 102 174.736 174.736 174.853 -0.117 18976 9221 1 11 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.290 -0.628 18976 9222 1 11 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.472 1.329 18976 9223 1 11 . 1 1 102 102 TYR H H 102 7.610 7.610 8.293 -0.683 18976 9224 1 11 . 1 1 103 103 ILE N N 103 127.698 127.698 124.093 3.605 18976 9225 1 11 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.454 0.362 18976 9226 1 11 . 1 1 103 103 ILE C C 103 175.634 175.634 175.667 -0.033 18976 9227 1 11 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.550 0.888 18976 9228 1 11 . 1 1 103 103 ILE CB C 103 38.919 38.919 38.250 0.669 18976 9229 1 11 . 1 1 103 103 ILE H H 103 10.228 10.228 8.548 1.680 18976 9230 1 11 . 1 1 104 104 SER N N 104 123.581 123.581 121.475 2.106 18976 9231 1 11 . 1 1 104 104 SER HA H 104 4.849 4.849 5.208 -0.359 18976 9232 1 11 . 1 1 104 104 SER C C 104 175.191 175.191 175.400 -0.209 18976 9233 1 11 . 1 1 104 104 SER CA C 104 55.499 55.499 55.332 0.167 18976 9234 1 11 . 1 1 104 104 SER CB C 104 66.371 66.371 65.958 0.413 18976 9235 1 11 . 1 1 104 104 SER H H 104 8.947 8.947 8.320 0.627 18976 9236 1 11 . 1 1 105 105 ALA N N 105 122.829 122.829 126.109 -3.280 18976 9237 1 11 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.080 -0.151 18976 9238 1 11 . 1 1 105 105 ALA C C 105 179.272 179.272 178.798 0.474 18976 9239 1 11 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.292 0.368 18976 9240 1 11 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.609 -0.926 18976 9241 1 11 . 1 1 105 105 ALA H H 105 9.251 9.251 9.147 0.104 18976 9242 1 11 . 1 1 106 106 ALA N N 106 118.442 118.442 120.967 -2.525 18976 9243 1 11 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.912 0.125 18976 9244 1 11 . 1 1 106 106 ALA C C 106 181.180 181.180 179.024 2.156 18976 9245 1 11 . 1 1 106 106 ALA CA C 106 54.841 54.841 55.076 -0.235 18976 9246 1 11 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.437 -0.394 18976 9247 1 11 . 1 1 106 106 ALA H H 106 8.209 8.209 7.559 0.650 18976 9248 1 11 . 1 1 107 107 GLU N N 107 118.406 118.406 118.441 -0.035 18976 9249 1 11 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.024 -0.032 18976 9250 1 11 . 1 1 107 107 GLU C C 107 179.272 179.272 179.104 0.168 18976 9251 1 11 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.163 -0.022 18976 9252 1 11 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.255 -0.499 18976 9253 1 11 . 1 1 107 107 GLU H H 107 7.752 7.752 7.868 -0.116 18976 9254 1 11 . 1 1 108 108 LEU N N 108 122.413 122.413 119.778 2.635 18976 9255 1 11 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.053 0.019 18976 9256 1 11 . 1 1 108 108 LEU C C 108 178.553 178.553 178.889 -0.336 18976 9257 1 11 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.938 -0.646 18976 9258 1 11 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.639 -0.196 18976 9259 1 11 . 1 1 108 108 LEU H H 108 8.793 8.793 8.047 0.746 18976 9260 1 11 . 1 1 109 109 ARG N N 109 118.074 118.074 118.766 -0.692 18976 9261 1 11 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.002 -0.145 18976 9262 1 11 . 1 1 109 109 ARG C C 109 179.140 179.140 179.047 0.093 18976 9263 1 11 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.677 0.109 18976 9264 1 11 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.073 -0.249 18976 9265 1 11 . 1 1 109 109 ARG H H 109 8.421 8.421 7.799 0.622 18976 9266 1 11 . 1 1 110 110 ILE N N 110 120.191 120.191 120.356 -0.165 18976 9267 1 11 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.876 -0.089 18976 9268 1 11 . 1 1 110 110 ILE C C 110 177.804 177.804 177.339 0.465 18976 9269 1 11 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.711 0.842 18976 9270 1 11 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.129 -0.071 18976 9271 1 11 . 1 1 110 110 ILE H H 110 7.401 7.401 7.319 0.082 18976 9272 1 11 . 1 1 111 111 VAL N N 111 120.330 120.330 120.777 -0.447 18976 9273 1 11 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.471 0.292 18976 9274 1 11 . 1 1 111 111 VAL C C 111 178.802 178.802 178.223 0.579 18976 9275 1 11 . 1 1 111 111 VAL CA C 111 65.690 65.690 66.791 -1.101 18976 9276 1 11 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.733 -0.141 18976 9277 1 11 . 1 1 111 111 VAL H H 111 7.907 7.907 7.457 0.450 18976 9278 1 11 . 1 1 112 112 MET N N 112 116.794 116.794 115.873 0.921 18976 9279 1 11 . 1 1 112 112 MET HA H 112 4.396 4.396 4.260 0.136 18976 9280 1 11 . 1 1 112 112 MET C C 112 178.890 178.890 178.862 0.028 18976 9281 1 11 . 1 1 112 112 MET CA C 112 56.719 56.719 56.385 0.334 18976 9282 1 11 . 1 1 112 112 MET CB C 112 30.384 30.384 31.134 -0.750 18976 9283 1 11 . 1 1 112 112 MET H H 112 8.355 8.355 8.063 0.292 18976 9284 1 11 . 1 1 113 113 THR N N 113 117.282 117.282 115.877 1.405 18976 9285 1 11 . 1 1 113 113 THR HA H 113 4.187 4.187 3.949 0.238 18976 9286 1 11 . 1 1 113 113 THR C C 113 178.112 178.112 176.546 1.566 18976 9287 1 11 . 1 1 113 113 THR CA C 113 65.902 65.902 66.230 -0.328 18976 9288 1 11 . 1 1 113 113 THR CB C 113 68.642 68.642 68.492 0.150 18976 9289 1 11 . 1 1 113 113 THR H H 113 8.314 8.314 7.756 0.558 18976 9290 1 11 . 1 1 114 114 ASN N N 114 122.220 122.220 118.443 3.777 18976 9291 1 11 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.619 -0.027 18976 9292 1 11 . 1 1 114 114 ASN C C 114 176.644 176.644 176.891 -0.247 18976 9293 1 11 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.030 0.124 18976 9294 1 11 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.304 -0.708 18976 9295 1 11 . 1 1 114 114 ASN H H 114 8.483 8.483 7.777 0.706 18976 9296 1 11 . 1 1 115 115 ARG N N 115 117.970 117.970 117.806 0.164 18976 9297 1 11 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.411 0.018 18976 9298 1 11 . 1 1 115 115 ARG C C 115 176.366 176.366 177.347 -0.981 18976 9299 1 11 . 1 1 115 115 ARG CA C 115 56.399 56.399 55.878 0.521 18976 9300 1 11 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.027 0.473 18976 9301 1 11 . 1 1 115 115 ARG H H 115 7.776 7.776 7.873 -0.097 18976 9302 1 11 . 1 1 116 116 GLY N N 116 107.547 107.547 107.296 0.251 18976 9303 1 11 . 1 1 116 116 GLY C C 116 174.384 174.384 175.049 -0.665 18976 9304 1 11 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.623 -0.416 18976 9305 1 11 . 1 1 116 116 GLY H H 116 7.968 7.968 7.848 0.120 18976 9306 1 11 . 1 1 117 117 GLU N N 117 119.975 119.975 119.869 0.106 18976 9307 1 11 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.310 0.096 18976 9308 1 11 . 1 1 117 117 GLU C C 117 175.558 175.558 176.158 -0.600 18976 9309 1 11 . 1 1 117 117 GLU CA C 117 55.177 55.177 55.050 0.127 18976 9310 1 11 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.822 0.578 18976 9311 1 11 . 1 1 117 117 GLU H H 117 7.934 7.934 8.034 -0.100 18976 9312 1 11 . 1 1 118 118 LYS N N 118 124.035 124.035 120.194 3.841 18976 9313 1 11 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.002 0.402 18976 9314 1 11 . 1 1 118 118 LYS C C 118 175.441 175.441 175.317 0.124 18976 9315 1 11 . 1 1 118 118 LYS CA C 118 55.267 55.267 57.132 -1.865 18976 9316 1 11 . 1 1 118 118 LYS CB C 118 31.850 31.850 31.436 0.413 18976 9317 1 11 . 1 1 118 118 LYS H H 118 8.626 8.626 7.795 0.831 18976 9318 1 11 . 1 1 119 119 LEU N N 119 124.745 124.745 126.442 -1.697 18976 9319 1 11 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.633 0.137 18976 9320 1 11 . 1 1 119 119 LEU C C 119 178.127 178.127 177.065 1.062 18976 9321 1 11 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.327 0.512 18976 9322 1 11 . 1 1 119 119 LEU CB C 119 44.323 44.323 43.774 0.549 18976 9323 1 11 . 1 1 119 119 LEU H H 119 8.140 8.140 8.307 -0.167 18976 9324 1 11 . 1 1 120 120 THR N N 120 114.555 114.555 116.632 -2.077 18976 9325 1 11 . 1 1 120 120 THR HA H 120 4.477 4.477 4.341 0.136 18976 9326 1 11 . 1 1 120 120 THR C C 120 175.514 175.514 175.082 0.432 18976 9327 1 11 . 1 1 120 120 THR CA C 120 60.613 60.613 61.643 -1.030 18976 9328 1 11 . 1 1 120 120 THR CB C 120 70.902 70.902 70.276 0.626 18976 9329 1 11 . 1 1 120 120 THR H H 120 9.220 9.220 8.155 1.065 18976 9330 1 11 . 1 1 121 121 ASP N N 121 121.128 121.128 121.990 -0.862 18976 9331 1 11 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.257 -0.029 18976 9332 1 11 . 1 1 121 121 ASP C C 121 178.655 178.655 178.458 0.197 18976 9333 1 11 . 1 1 121 121 ASP CA C 121 57.752 57.752 58.089 -0.337 18976 9334 1 11 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.672 -1.357 18976 9335 1 11 . 1 1 121 121 ASP H H 121 8.921 8.921 8.769 0.152 18976 9336 1 11 . 1 1 122 122 GLU N N 122 119.266 119.266 119.183 0.083 18976 9337 1 11 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.100 0.019 18976 9338 1 11 . 1 1 122 122 GLU C C 122 179.184 179.184 178.493 0.691 18976 9339 1 11 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.364 0.408 18976 9340 1 11 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.537 -0.671 18976 9341 1 11 . 1 1 122 122 GLU H H 122 8.712 8.712 8.462 0.250 18976 9342 1 11 . 1 1 123 123 GLU N N 123 120.455 120.455 118.024 2.431 18976 9343 1 11 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.319 -0.296 18976 9344 1 11 . 1 1 123 123 GLU C C 123 180.123 180.123 179.268 0.855 18976 9345 1 11 . 1 1 123 123 GLU CA C 123 59.090 59.090 59.188 -0.098 18976 9346 1 11 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.213 1.000 18976 9347 1 11 . 1 1 123 123 GLU H H 123 7.763 7.763 8.654 -0.891 18976 9348 1 11 . 1 1 124 124 VAL N N 124 121.726 121.726 114.736 6.990 18976 9349 1 11 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.827 -0.220 18976 9350 1 11 . 1 1 124 124 VAL C C 124 177.337 177.337 177.380 -0.043 18976 9351 1 11 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.900 0.832 18976 9352 1 11 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.512 -0.470 18976 9353 1 11 . 1 1 124 124 VAL H H 124 8.119 8.119 8.130 -0.011 18976 9354 1 11 . 1 1 125 125 ASP N N 125 119.880 119.880 120.619 -0.739 18976 9355 1 11 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.456 -0.105 18976 9356 1 11 . 1 1 125 125 ASP C C 125 179.323 179.323 178.141 1.182 18976 9357 1 11 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.340 0.035 18976 9358 1 11 . 1 1 125 125 ASP CB C 125 40.112 40.112 41.135 -1.023 18976 9359 1 11 . 1 1 125 125 ASP H H 125 8.051 8.051 7.771 0.280 18976 9360 1 11 . 1 1 126 126 GLU N N 126 119.798 119.798 119.881 -0.083 18976 9361 1 11 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.010 0.011 18976 9362 1 11 . 1 1 126 126 GLU C C 126 177.966 177.966 179.004 -1.038 18976 9363 1 11 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.327 -0.354 18976 9364 1 11 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.709 -0.625 18976 9365 1 11 . 1 1 126 126 GLU H H 126 8.047 8.047 7.779 0.268 18976 9366 1 11 . 1 1 127 127 MET N N 127 119.443 119.443 118.235 1.208 18976 9367 1 11 . 1 1 127 127 MET HA H 127 4.137 4.137 4.163 -0.026 18976 9368 1 11 . 1 1 127 127 MET C C 127 179.859 179.859 178.838 1.021 18976 9369 1 11 . 1 1 127 127 MET CA C 127 59.137 59.137 57.969 1.168 18976 9370 1 11 . 1 1 127 127 MET CB C 127 32.239 32.239 31.829 0.409 18976 9371 1 11 . 1 1 127 127 MET H H 127 7.795 7.795 7.821 -0.026 18976 9372 1 11 . 1 1 128 128 ILE N N 128 120.667 120.667 120.198 0.469 18976 9373 1 11 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.614 -0.093 18976 9374 1 11 . 1 1 128 128 ILE C C 128 177.657 177.657 178.116 -0.459 18976 9375 1 11 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.244 -1.432 18976 9376 1 11 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.570 -1.583 18976 9377 1 11 . 1 1 128 128 ILE H H 128 8.158 8.158 7.720 0.438 18976 9378 1 11 . 1 1 129 129 ARG N N 129 119.725 119.725 117.790 1.935 18976 9379 1 11 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.347 -0.278 18976 9380 1 11 . 1 1 129 129 ARG C C 129 178.920 178.920 179.101 -0.181 18976 9381 1 11 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.744 0.871 18976 9382 1 11 . 1 1 129 129 ARG CB C 129 29.882 29.882 29.917 -0.035 18976 9383 1 11 . 1 1 129 129 ARG H H 129 8.270 8.270 7.884 0.386 18976 9384 1 11 . 1 1 130 130 GLU N N 130 115.236 115.236 117.696 -2.460 18976 9385 1 11 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.204 -0.110 18976 9386 1 11 . 1 1 130 130 GLU C C 130 177.349 177.349 178.334 -0.985 18976 9387 1 11 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.555 -0.655 18976 9388 1 11 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.429 0.394 18976 9389 1 11 . 1 1 130 130 GLU H H 130 7.953 7.953 8.015 -0.062 18976 9390 1 11 . 1 1 131 131 THR N N 131 112.585 112.585 112.314 0.271 18976 9391 1 11 . 1 1 131 131 THR HA H 131 4.239 4.239 4.246 -0.007 18976 9392 1 11 . 1 1 131 131 THR C C 131 174.149 174.149 173.334 0.815 18976 9393 1 11 . 1 1 131 131 THR CA C 131 62.887 62.887 62.938 -0.051 18976 9394 1 11 . 1 1 131 131 THR CB C 131 69.337 69.337 70.274 -0.937 18976 9395 1 11 . 1 1 131 131 THR H H 131 7.465 7.465 7.584 -0.119 18976 9396 1 11 . 1 1 132 132 ASP N N 132 121.237 121.237 120.475 0.762 18976 9397 1 11 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.840 -0.362 18976 9398 1 11 . 1 1 132 132 ASP C C 132 175.777 175.777 175.830 -0.053 18976 9399 1 11 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.272 1.682 18976 9400 1 11 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.472 -2.032 18976 9401 1 11 . 1 1 132 132 ASP H H 132 8.070 8.070 7.929 0.141 18976 9402 1 11 . 1 1 133 133 ILE N N 133 127.244 127.244 124.294 2.950 18976 9403 1 11 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.193 -0.217 18976 9404 1 11 . 1 1 133 133 ILE C C 133 177.628 177.628 176.426 1.202 18976 9405 1 11 . 1 1 133 133 ILE CA C 133 62.866 62.866 61.806 1.060 18976 9406 1 11 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.550 -0.072 18976 9407 1 11 . 1 1 133 133 ILE H H 133 8.345 8.345 8.604 -0.259 18976 9408 1 11 . 1 1 134 134 ASP N N 134 116.893 116.893 119.191 -2.298 18976 9409 1 11 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.538 -0.005 18976 9410 1 11 . 1 1 134 134 ASP C C 134 178.259 178.259 178.012 0.247 18976 9411 1 11 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.014 -0.471 18976 9412 1 11 . 1 1 134 134 ASP CB C 134 39.838 39.838 41.048 -1.210 18976 9413 1 11 . 1 1 134 134 ASP H H 134 8.297 8.297 7.786 0.511 18976 9414 1 11 . 1 1 135 135 GLY N N 135 108.287 108.287 110.555 -2.268 18976 9415 1 11 . 1 1 135 135 GLY C C 135 175.250 175.250 175.380 -0.130 18976 9416 1 11 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.078 1.020 18976 9417 1 11 . 1 1 135 135 GLY H H 135 7.623 7.623 8.039 -0.416 18976 9418 1 11 . 1 1 136 136 ASP N N 136 120.541 120.541 119.621 0.920 18976 9419 1 11 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.580 -0.100 18976 9420 1 11 . 1 1 136 136 ASP C C 136 177.584 177.584 177.648 -0.064 18976 9421 1 11 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.557 -0.182 18976 9422 1 11 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.800 -0.907 18976 9423 1 11 . 1 1 136 136 ASP H H 136 8.290 8.290 7.880 0.410 18976 9424 1 11 . 1 1 137 137 GLY N N 137 112.490 112.490 109.151 3.339 18976 9425 1 11 . 1 1 137 137 GLY C C 137 172.828 172.828 173.050 -0.222 18976 9426 1 11 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.224 0.246 18976 9427 1 11 . 1 1 137 137 GLY H H 137 10.224 10.224 8.833 1.391 18976 9428 1 11 . 1 1 138 138 GLN N N 138 115.266 115.266 116.996 -1.730 18976 9429 1 11 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.531 -0.662 18976 9430 1 11 . 1 1 138 138 GLN C C 138 174.677 174.677 174.552 0.125 18976 9431 1 11 . 1 1 138 138 GLN CA C 138 52.786 52.786 53.728 -0.942 18976 9432 1 11 . 1 1 138 138 GLN CB C 138 31.743 31.743 32.718 -0.975 18976 9433 1 11 . 1 1 138 138 GLN H H 138 7.992 7.992 8.111 -0.119 18976 9434 1 11 . 1 1 139 139 VAL N N 139 125.667 125.667 123.819 1.848 18976 9435 1 11 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.949 0.163 18976 9436 1 11 . 1 1 139 139 VAL C C 139 175.763 175.763 175.672 0.091 18976 9437 1 11 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.867 0.812 18976 9438 1 11 . 1 1 139 139 VAL CB C 139 33.532 33.532 31.814 1.718 18976 9439 1 11 . 1 1 139 139 VAL H H 139 9.227 9.227 8.464 0.763 18976 9440 1 11 . 1 1 140 140 ASN N N 140 128.431 128.431 126.231 2.200 18976 9441 1 11 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.485 -0.211 18976 9442 1 11 . 1 1 140 140 ASN C C 140 175.079 175.079 175.699 -0.620 18976 9443 1 11 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.980 -0.314 18976 9444 1 11 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.785 -3.558 18976 9445 1 11 . 1 1 140 140 ASN H H 140 9.360 9.360 9.056 0.304 18976 9446 1 11 . 1 1 141 141 TYR N N 141 119.146 119.146 121.027 -1.881 18976 9447 1 11 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.486 -0.100 18976 9448 1 11 . 1 1 141 141 TYR C C 141 176.092 176.092 177.451 -1.359 18976 9449 1 11 . 1 1 141 141 TYR CA C 141 62.058 62.058 60.906 1.152 18976 9450 1 11 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.409 -1.050 18976 9451 1 11 . 1 1 141 141 TYR H H 141 8.451 8.451 8.965 -0.514 18976 9452 1 11 . 1 1 142 142 GLU N N 142 118.431 118.431 119.556 -1.125 18976 9453 1 11 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.935 -0.253 18976 9454 1 11 . 1 1 142 142 GLU C C 142 180.226 180.226 178.524 1.702 18976 9455 1 11 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.348 0.735 18976 9456 1 11 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.373 -0.827 18976 9457 1 11 . 1 1 142 142 GLU H H 142 8.097 8.097 8.082 0.015 18976 9458 1 11 . 1 1 143 143 GLU N N 143 120.068 120.068 119.638 0.430 18976 9459 1 11 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.087 -0.097 18976 9460 1 11 . 1 1 143 143 GLU C C 143 179.060 179.060 179.242 -0.182 18976 9461 1 11 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.304 -0.730 18976 9462 1 11 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.549 -0.367 18976 9463 1 11 . 1 1 143 143 GLU H H 143 8.667 8.667 7.642 1.025 18976 9464 1 11 . 1 1 144 144 PHE N N 144 123.392 123.392 121.357 2.035 18976 9465 1 11 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.144 -0.177 18976 9466 1 11 . 1 1 144 144 PHE C C 144 176.982 176.982 177.348 -0.366 18976 9467 1 11 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.493 -0.047 18976 9468 1 11 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.149 0.546 18976 9469 1 11 . 1 1 144 144 PHE H H 144 8.731 8.731 8.662 0.069 18976 9470 1 11 . 1 1 145 145 VAL N N 145 119.201 119.201 117.240 1.961 18976 9471 1 11 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.302 -0.109 18976 9472 1 11 . 1 1 145 145 VAL C C 145 179.228 179.228 177.188 2.040 18976 9473 1 11 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.334 1.328 18976 9474 1 11 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.090 0.194 18976 9475 1 11 . 1 1 145 145 VAL H H 145 8.671 8.671 7.509 1.162 18976 9476 1 11 . 1 1 146 146 GLN N N 146 119.252 119.252 119.331 -0.079 18976 9477 1 11 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.932 -0.016 18976 9478 1 11 . 1 1 146 146 GLN C C 146 177.825 177.825 177.922 -0.097 18976 9479 1 11 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.374 -0.807 18976 9480 1 11 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.308 -0.488 18976 9481 1 11 . 1 1 146 146 GLN H H 146 7.767 7.767 7.796 -0.029 18976 9482 1 11 . 1 1 147 147 ARG N N 147 118.529 118.529 118.560 -0.031 18976 9483 1 11 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.199 -0.027 18976 9484 1 11 . 1 1 147 147 ARG C C 147 178.112 178.112 178.111 0.001 18976 9485 1 11 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.351 -0.842 18976 9486 1 11 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.685 0.429 18976 9487 1 11 . 1 1 147 147 ARG H H 147 7.628 7.628 7.412 0.216 18976 9488 1 11 . 1 1 148 148 MET N N 148 115.755 115.755 117.059 -1.304 18976 9489 1 11 . 1 1 148 148 MET HA H 148 4.304 4.304 4.080 0.224 18976 9490 1 11 . 1 1 148 148 MET C C 148 177.628 177.628 177.220 0.408 18976 9491 1 11 . 1 1 148 148 MET CA C 148 55.489 55.489 58.401 -2.912 18976 9492 1 11 . 1 1 148 148 MET CB C 148 31.773 31.773 32.612 -0.839 18976 9493 1 11 . 1 1 148 148 MET H H 148 8.003 8.003 7.303 0.701 18976 9494 1 11 . 1 1 149 149 THR N N 149 110.062 110.062 112.030 -1.968 18976 9495 1 11 . 1 1 149 149 THR HA H 149 4.349 4.349 4.176 0.173 18976 9496 1 11 . 1 1 149 149 THR C C 149 174.149 174.149 174.685 -0.536 18976 9497 1 11 . 1 1 149 149 THR CA C 149 61.775 61.775 64.986 -3.211 18976 9498 1 11 . 1 1 149 149 THR CB C 149 69.780 69.780 69.191 0.589 18976 9499 1 11 . 1 1 149 149 THR H H 149 7.682 7.682 7.821 -0.139 18976 9500 1 11 . 1 1 150 150 ALA N N 150 126.503 126.503 124.851 1.652 18976 9501 1 11 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.558 -0.228 18976 9502 1 11 . 1 1 150 150 ALA CA C 150 52.535 52.535 50.901 1.634 18976 9503 1 11 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.829 -0.095 18976 9504 1 11 . 1 1 150 150 ALA H H 150 7.651 7.651 7.623 0.028 18976 9505 1 12 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.013 0.408 18976 9506 1 12 . 1 1 2 2 LEU C C 2 177.129 177.129 177.023 0.106 18976 9507 1 12 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.396 -0.274 18976 9508 1 12 . 1 1 2 2 LEU CB C 2 42.453 42.453 40.717 1.736 18976 9509 1 12 . 1 1 2 2 LEU H H 2 8.641 8.641 8.113 0.528 18976 9510 1 12 . 1 1 3 3 MET N N 3 120.143 120.143 117.426 2.717 18976 9511 1 12 . 1 1 3 3 MET HA H 3 4.451 4.451 4.147 0.304 18976 9512 1 12 . 1 1 3 3 MET C C 3 176.835 176.835 178.028 -1.193 18976 9513 1 12 . 1 1 3 3 MET CA C 3 55.160 55.160 57.902 -2.742 18976 9514 1 12 . 1 1 3 3 MET CB C 3 32.584 32.584 31.899 0.685 18976 9515 1 12 . 1 1 3 3 MET H H 3 8.396 8.396 7.917 0.479 18976 9516 1 12 . 1 1 4 4 ALA N N 4 123.344 123.344 120.009 3.335 18976 9517 1 12 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.162 -0.102 18976 9518 1 12 . 1 1 4 4 ALA C C 4 177.922 177.922 178.101 -0.179 18976 9519 1 12 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.018 -0.468 18976 9520 1 12 . 1 1 4 4 ALA CB C 4 18.556 18.556 17.648 0.908 18976 9521 1 12 . 1 1 4 4 ALA H H 4 8.396 8.396 8.144 0.252 18976 9522 1 12 . 1 1 5 5 ASP N N 5 116.052 116.052 116.598 -0.546 18976 9523 1 12 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.510 -0.001 18976 9524 1 12 . 1 1 5 5 ASP C C 5 176.366 176.366 178.337 -1.971 18976 9525 1 12 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.682 -1.059 18976 9526 1 12 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.287 -1.024 18976 9527 1 12 . 1 1 5 5 ASP H H 5 8.114 8.114 7.412 0.702 18976 9528 1 12 . 1 1 6 6 GLN N N 6 117.717 117.717 117.568 0.149 18976 9529 1 12 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.271 0.106 18976 9530 1 12 . 1 1 6 6 GLN C C 6 175.842 175.842 175.976 -0.134 18976 9531 1 12 . 1 1 6 6 GLN CA C 6 55.311 55.311 56.690 -1.379 18976 9532 1 12 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.243 0.347 18976 9533 1 12 . 1 1 6 6 GLN H H 6 7.935 7.935 7.958 -0.023 18976 9534 1 12 . 1 1 7 7 LEU N N 7 121.086 121.086 116.246 4.840 18976 9535 1 12 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.846 -0.170 18976 9536 1 12 . 1 1 7 7 LEU C C 7 177.496 177.496 175.800 1.696 18976 9537 1 12 . 1 1 7 7 LEU CA C 7 54.065 54.065 53.049 1.016 18976 9538 1 12 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.970 -0.702 18976 9539 1 12 . 1 1 7 7 LEU H H 7 7.713 7.713 7.431 0.282 18976 9540 1 12 . 1 1 8 8 THR N N 8 112.688 112.688 108.400 4.288 18976 9541 1 12 . 1 1 8 8 THR HA H 8 4.475 4.475 4.725 -0.250 18976 9542 1 12 . 1 1 8 8 THR C C 8 175.511 175.511 175.619 -0.108 18976 9543 1 12 . 1 1 8 8 THR CA C 8 60.256 60.256 59.238 1.018 18976 9544 1 12 . 1 1 8 8 THR CB C 8 71.019 71.019 71.383 -0.364 18976 9545 1 12 . 1 1 8 8 THR H H 8 8.800 8.800 7.979 0.821 18976 9546 1 12 . 1 1 9 9 GLU N N 9 120.380 120.380 119.882 0.498 18976 9547 1 12 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.035 -0.055 18976 9548 1 12 . 1 1 9 9 GLU C C 9 179.492 179.492 178.601 0.891 18976 9549 1 12 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.939 -0.013 18976 9550 1 12 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.334 -0.409 18976 9551 1 12 . 1 1 9 9 GLU H H 9 9.040 9.040 9.058 -0.018 18976 9552 1 12 . 1 1 10 10 GLU N N 10 119.361 119.361 117.927 1.434 18976 9553 1 12 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.133 -0.059 18976 9554 1 12 . 1 1 10 10 GLU C C 10 179.185 179.185 178.663 0.522 18976 9555 1 12 . 1 1 10 10 GLU CA C 10 59.767 59.767 58.950 0.817 18976 9556 1 12 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.617 0.179 18976 9557 1 12 . 1 1 10 10 GLU H H 10 8.729 8.729 8.483 0.246 18976 9558 1 12 . 1 1 11 11 GLN N N 11 120.302 120.302 119.901 0.401 18976 9559 1 12 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.236 -0.368 18976 9560 1 12 . 1 1 11 11 GLN C C 11 178.318 178.318 178.964 -0.646 18976 9561 1 12 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.274 0.110 18976 9562 1 12 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.968 -0.083 18976 9563 1 12 . 1 1 11 11 GLN H H 11 7.747 7.747 7.807 -0.060 18976 9564 1 12 . 1 1 12 12 ILE N N 12 119.533 119.533 120.902 -1.369 18976 9565 1 12 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.945 -0.227 18976 9566 1 12 . 1 1 12 12 ILE C C 12 177.731 177.731 177.876 -0.145 18976 9567 1 12 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.478 0.481 18976 9568 1 12 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.888 -0.377 18976 9569 1 12 . 1 1 12 12 ILE H H 12 8.456 8.456 8.405 0.051 18976 9570 1 12 . 1 1 13 13 ALA N N 13 121.161 121.161 121.788 -0.627 18976 9571 1 12 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.950 0.189 18976 9572 1 12 . 1 1 13 13 ALA C C 13 181.019 181.019 179.852 1.167 18976 9573 1 12 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.597 -0.474 18976 9574 1 12 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.154 -0.650 18976 9575 1 12 . 1 1 13 13 ALA H H 13 8.018 8.018 7.896 0.122 18976 9576 1 12 . 1 1 14 14 GLU N N 14 119.619 119.619 118.525 1.094 18976 9577 1 12 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.108 0.056 18976 9578 1 12 . 1 1 14 14 GLU C C 14 180.534 180.534 179.281 1.253 18976 9579 1 12 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.732 0.392 18976 9580 1 12 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.194 -0.341 18976 9581 1 12 . 1 1 14 14 GLU H H 14 7.792 7.792 7.839 -0.047 18976 9582 1 12 . 1 1 15 15 PHE N N 15 120.089 120.089 119.812 0.277 18976 9583 1 12 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.602 0.462 18976 9584 1 12 . 1 1 15 15 PHE C C 15 178.700 178.700 178.034 0.666 18976 9585 1 12 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.208 -2.351 18976 9586 1 12 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.194 -1.718 18976 9587 1 12 . 1 1 15 15 PHE H H 15 8.587 8.587 8.286 0.301 18976 9588 1 12 . 1 1 16 16 LYS N N 16 123.715 123.715 121.048 2.667 18976 9589 1 12 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.105 -0.060 18976 9590 1 12 . 1 1 16 16 LYS C C 16 179.327 179.327 178.818 0.509 18976 9591 1 12 . 1 1 16 16 LYS CA C 16 59.870 59.870 60.100 -0.230 18976 9592 1 12 . 1 1 16 16 LYS CB C 16 31.573 31.573 32.163 -0.590 18976 9593 1 12 . 1 1 16 16 LYS H H 16 9.256 9.256 8.640 0.616 18976 9594 1 12 . 1 1 17 17 GLU N N 17 120.262 120.262 119.466 0.796 18976 9595 1 12 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.155 0.001 18976 9596 1 12 . 1 1 17 17 GLU C C 17 179.456 179.456 179.082 0.374 18976 9597 1 12 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.993 0.014 18976 9598 1 12 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.258 -0.449 18976 9599 1 12 . 1 1 17 17 GLU H H 17 7.774 7.774 7.968 -0.194 18976 9600 1 12 . 1 1 18 18 ALA N N 18 122.590 122.590 122.062 0.528 18976 9601 1 12 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.269 0.046 18976 9602 1 12 . 1 1 18 18 ALA C C 18 179.060 179.060 179.942 -0.882 18976 9603 1 12 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.989 -0.160 18976 9604 1 12 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.627 -0.829 18976 9605 1 12 . 1 1 18 18 ALA H H 18 8.001 8.001 8.301 -0.300 18976 9606 1 12 . 1 1 19 19 PHE N N 19 119.363 119.363 119.031 0.332 18976 9607 1 12 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.755 -0.521 18976 9608 1 12 . 1 1 19 19 PHE C C 19 177.290 177.290 176.993 0.297 18976 9609 1 12 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.534 1.223 18976 9610 1 12 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.208 -0.070 18976 9611 1 12 . 1 1 19 19 PHE H H 19 8.859 8.859 8.069 0.790 18976 9612 1 12 . 1 1 20 20 SER N N 20 112.556 112.556 115.822 -3.266 18976 9613 1 12 . 1 1 20 20 SER HA H 20 4.142 4.142 4.335 -0.193 18976 9614 1 12 . 1 1 20 20 SER C C 20 174.955 174.955 176.124 -1.169 18976 9615 1 12 . 1 1 20 20 SER CA C 20 61.007 61.007 61.471 -0.464 18976 9616 1 12 . 1 1 20 20 SER CB C 20 62.960 62.960 63.671 -0.711 18976 9617 1 12 . 1 1 20 20 SER H H 20 7.934 7.934 8.135 -0.201 18976 9618 1 12 . 1 1 21 21 LEU N N 21 120.816 120.816 116.827 3.989 18976 9619 1 12 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.399 -0.383 18976 9620 1 12 . 1 1 21 21 LEU C C 21 178.010 178.010 177.888 0.122 18976 9621 1 12 . 1 1 21 21 LEU CA C 21 56.795 56.795 56.827 -0.032 18976 9622 1 12 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.716 -0.584 18976 9623 1 12 . 1 1 21 21 LEU H H 21 7.434 7.434 7.500 -0.066 18976 9624 1 12 . 1 1 22 22 PHE N N 22 115.049 115.049 120.174 -5.125 18976 9625 1 12 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.333 -0.089 18976 9626 1 12 . 1 1 22 22 PHE C C 22 176.762 176.762 175.548 1.214 18976 9627 1 12 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.044 -1.024 18976 9628 1 12 . 1 1 22 22 PHE CB C 22 40.730 40.730 40.120 0.610 18976 9629 1 12 . 1 1 22 22 PHE H H 22 7.326 7.326 7.573 -0.247 18976 9630 1 12 . 1 1 23 23 ASP N N 23 117.496 117.496 119.154 -1.658 18976 9631 1 12 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.752 -0.201 18976 9632 1 12 . 1 1 23 23 ASP C C 23 177.167 177.167 176.848 0.319 18976 9633 1 12 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.737 -1.696 18976 9634 1 12 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.586 -1.988 18976 9635 1 12 . 1 1 23 23 ASP H H 23 7.851 7.851 8.055 -0.204 18976 9636 1 12 . 1 1 24 24 LYS N N 24 124.470 124.470 125.492 -1.022 18976 9637 1 12 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.980 0.004 18976 9638 1 12 . 1 1 24 24 LYS C C 24 178.127 178.127 177.832 0.295 18976 9639 1 12 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.563 -0.405 18976 9640 1 12 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.248 0.135 18976 9641 1 12 . 1 1 24 24 LYS H H 24 7.687 7.687 8.004 -0.317 18976 9642 1 12 . 1 1 25 25 ASP N N 25 113.822 113.822 115.530 -1.708 18976 9643 1 12 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.505 0.101 18976 9644 1 12 . 1 1 25 25 ASP C C 25 177.687 177.687 177.592 0.095 18976 9645 1 12 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.499 -2.040 18976 9646 1 12 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.435 -1.244 18976 9647 1 12 . 1 1 25 25 ASP H H 25 8.067 8.067 7.972 0.095 18976 9648 1 12 . 1 1 26 26 GLY N N 26 109.208 109.208 108.476 0.732 18976 9649 1 12 . 1 1 26 26 GLY C C 26 175.132 175.132 175.195 -0.063 18976 9650 1 12 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.013 0.861 18976 9651 1 12 . 1 1 26 26 GLY H H 26 7.698 7.698 8.249 -0.551 18976 9652 1 12 . 1 1 27 27 ASP N N 27 120.603 120.603 120.073 0.530 18976 9653 1 12 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.638 -0.115 18976 9654 1 12 . 1 1 27 27 ASP C C 27 177.452 177.452 177.878 -0.426 18976 9655 1 12 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.490 0.003 18976 9656 1 12 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.105 -0.857 18976 9657 1 12 . 1 1 27 27 ASP H H 27 8.397 8.397 8.413 -0.016 18976 9658 1 12 . 1 1 28 28 GLY N N 28 113.187 113.187 109.447 3.740 18976 9659 1 12 . 1 1 28 28 GLY C C 28 173.679 173.679 173.727 -0.048 18976 9660 1 12 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.402 -0.221 18976 9661 1 12 . 1 1 28 28 GLY H H 28 10.648 10.648 8.173 2.475 18976 9662 1 12 . 1 1 29 29 THR N N 29 112.865 112.865 110.928 1.937 18976 9663 1 12 . 1 1 29 29 THR HA H 29 5.310 5.310 5.207 0.103 18976 9664 1 12 . 1 1 29 29 THR C C 29 172.872 172.872 173.297 -0.425 18976 9665 1 12 . 1 1 29 29 THR CA C 29 59.764 59.764 60.803 -1.039 18976 9666 1 12 . 1 1 29 29 THR CB C 29 72.319 72.319 71.631 0.688 18976 9667 1 12 . 1 1 29 29 THR H H 29 8.144 8.144 8.441 -0.297 18976 9668 1 12 . 1 1 30 30 ILE N N 30 127.035 127.035 127.815 -0.780 18976 9669 1 12 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.566 0.414 18976 9670 1 12 . 1 1 30 30 ILE C C 30 176.072 176.072 176.399 -0.327 18976 9671 1 12 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.569 -0.425 18976 9672 1 12 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.517 1.785 18976 9673 1 12 . 1 1 30 30 ILE H H 30 9.821 9.821 8.994 0.827 18976 9674 1 12 . 1 1 31 31 THR N N 31 116.509 116.509 119.855 -3.346 18976 9675 1 12 . 1 1 31 31 THR HA H 31 4.800 4.800 4.638 0.162 18976 9676 1 12 . 1 1 31 31 THR C C 31 176.542 176.542 176.508 0.034 18976 9677 1 12 . 1 1 31 31 THR CA C 31 59.396 59.396 60.976 -1.580 18976 9678 1 12 . 1 1 31 31 THR CB C 31 72.162 72.162 70.112 2.050 18976 9679 1 12 . 1 1 31 31 THR H H 31 8.469 8.469 8.860 -0.391 18976 9680 1 12 . 1 1 32 32 THR N N 32 112.790 112.790 113.823 -1.033 18976 9681 1 12 . 1 1 32 32 THR HA H 32 3.803 3.803 3.943 -0.140 18976 9682 1 12 . 1 1 32 32 THR C C 32 177.188 177.188 176.622 0.566 18976 9683 1 12 . 1 1 32 32 THR CA C 32 66.253 66.253 66.741 -0.488 18976 9684 1 12 . 1 1 32 32 THR CB C 32 67.459 67.459 68.572 -1.113 18976 9685 1 12 . 1 1 32 32 THR H H 32 9.128 9.128 8.960 0.168 18976 9686 1 12 . 1 1 33 33 LYS N N 33 120.844 120.844 120.611 0.233 18976 9687 1 12 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.037 0.111 18976 9688 1 12 . 1 1 33 33 LYS C C 33 179.880 179.880 178.609 1.271 18976 9689 1 12 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.760 -0.821 18976 9690 1 12 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.060 0.175 18976 9691 1 12 . 1 1 33 33 LYS H H 33 7.695 7.695 8.002 -0.306 18976 9692 1 12 . 1 1 34 34 GLU N N 34 121.463 121.463 120.054 1.409 18976 9693 1 12 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.153 -0.085 18976 9694 1 12 . 1 1 34 34 GLU C C 34 179.140 179.140 179.270 -0.130 18976 9695 1 12 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.019 0.120 18976 9696 1 12 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.669 -0.124 18976 9697 1 12 . 1 1 34 34 GLU H H 34 7.687 7.687 7.555 0.132 18976 9698 1 12 . 1 1 35 35 LEU N N 35 120.583 120.583 120.766 -0.183 18976 9699 1 12 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.337 -0.214 18976 9700 1 12 . 1 1 35 35 LEU C C 35 178.934 178.934 179.147 -0.213 18976 9701 1 12 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.166 -0.339 18976 9702 1 12 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.769 0.611 18976 9703 1 12 . 1 1 35 35 LEU H H 35 8.745 8.745 8.432 0.313 18976 9704 1 12 . 1 1 36 36 GLY N N 36 128.127 128.127 104.900 23.227 18976 9705 1 12 . 1 1 36 36 GLY C C 36 175.177 175.177 175.312 -0.135 18976 9706 1 12 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.221 0.782 18976 9707 1 12 . 1 1 36 36 GLY H H 36 8.670 8.670 8.185 0.485 18976 9708 1 12 . 1 1 37 37 THR N N 37 117.925 117.925 119.028 -1.103 18976 9709 1 12 . 1 1 37 37 THR HA H 37 3.938 3.938 4.101 -0.163 18976 9710 1 12 . 1 1 37 37 THR C C 37 177.137 177.137 176.621 0.516 18976 9711 1 12 . 1 1 37 37 THR CA C 37 66.648 66.648 66.740 -0.092 18976 9712 1 12 . 1 1 37 37 THR CB C 37 68.383 68.383 68.954 -0.571 18976 9713 1 12 . 1 1 37 37 THR H H 37 7.930 7.930 7.521 0.409 18976 9714 1 12 . 1 1 38 38 VAL N N 38 122.046 122.046 121.302 0.744 18976 9715 1 12 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.603 -0.080 18976 9716 1 12 . 1 1 38 38 VAL C C 38 179.243 179.243 177.248 1.995 18976 9717 1 12 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.640 0.322 18976 9718 1 12 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.286 -0.216 18976 9719 1 12 . 1 1 38 38 VAL H H 38 7.643 7.643 7.710 -0.067 18976 9720 1 12 . 1 1 39 39 MET N N 39 118.442 118.442 115.689 2.753 18976 9721 1 12 . 1 1 39 39 MET HA H 39 4.133 4.133 4.269 -0.136 18976 9722 1 12 . 1 1 39 39 MET C C 39 179.125 179.125 177.773 1.352 18976 9723 1 12 . 1 1 39 39 MET CA C 39 58.886 58.886 58.181 0.705 18976 9724 1 12 . 1 1 39 39 MET CB C 39 31.211 31.211 32.680 -1.469 18976 9725 1 12 . 1 1 39 39 MET H H 39 8.497 8.497 7.414 1.083 18976 9726 1 12 . 1 1 40 40 ARG N N 40 118.929 118.929 120.310 -1.381 18976 9727 1 12 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.193 0.640 18976 9728 1 12 . 1 1 40 40 ARG C C 40 181.224 181.224 178.157 3.067 18976 9729 1 12 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.079 -0.193 18976 9730 1 12 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.994 -1.159 18976 9731 1 12 . 1 1 40 40 ARG H H 40 8.536 8.536 8.385 0.151 18976 9732 1 12 . 1 1 41 41 SER N N 41 118.832 118.832 115.858 2.974 18976 9733 1 12 . 1 1 41 41 SER HA H 41 4.425 4.425 4.245 0.180 18976 9734 1 12 . 1 1 41 41 SER C C 41 174.839 174.839 174.843 -0.004 18976 9735 1 12 . 1 1 41 41 SER CA C 41 61.249 61.249 60.808 0.441 18976 9736 1 12 . 1 1 41 41 SER CB C 41 62.464 62.464 62.386 0.078 18976 9737 1 12 . 1 1 41 41 SER H H 41 7.925 7.925 7.694 0.231 18976 9738 1 12 . 1 1 42 42 LEU N N 42 120.676 120.676 120.534 0.142 18976 9739 1 12 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.446 0.071 18976 9740 1 12 . 1 1 42 42 LEU C C 42 177.540 177.540 177.320 0.220 18976 9741 1 12 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.504 -0.272 18976 9742 1 12 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.326 0.344 18976 9743 1 12 . 1 1 42 42 LEU H H 42 7.395 7.395 7.190 0.205 18976 9744 1 12 . 1 1 43 43 GLY N N 43 106.840 106.840 106.913 -0.073 18976 9745 1 12 . 1 1 43 43 GLY C C 43 174.384 174.384 174.847 -0.463 18976 9746 1 12 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.769 0.539 18976 9747 1 12 . 1 1 43 43 GLY H H 43 7.885 7.885 7.713 0.172 18976 9748 1 12 . 1 1 44 44 GLN N N 44 118.414 118.414 120.700 -2.286 18976 9749 1 12 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.378 0.124 18976 9750 1 12 . 1 1 44 44 GLN C C 44 174.134 174.134 175.162 -1.028 18976 9751 1 12 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.829 -0.645 18976 9752 1 12 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.891 0.383 18976 9753 1 12 . 1 1 44 44 GLN H H 44 7.805 7.805 7.659 0.146 18976 9754 1 12 . 1 1 45 45 ASN N N 45 116.265 116.265 118.859 -2.594 18976 9755 1 12 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.992 0.209 18976 9756 1 12 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.533 0.424 18976 9757 1 12 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.715 -0.806 18976 9758 1 12 . 1 1 45 45 ASN H H 45 8.733 8.733 8.503 0.230 18976 9759 1 12 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.700 0.087 18976 9760 1 12 . 1 1 46 46 PRO C C 46 177.745 177.745 176.245 1.500 18976 9761 1 12 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.475 -0.370 18976 9762 1 12 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.123 -1.420 18976 9763 1 12 . 1 1 47 47 THR N N 47 112.958 112.958 111.850 1.108 18976 9764 1 12 . 1 1 47 47 THR HA H 47 4.451 4.451 4.530 -0.079 18976 9765 1 12 . 1 1 47 47 THR C C 47 175.159 175.159 175.820 -0.661 18976 9766 1 12 . 1 1 47 47 THR CA C 47 60.078 60.078 60.004 0.074 18976 9767 1 12 . 1 1 47 47 THR CB C 47 71.001 71.001 71.112 -0.111 18976 9768 1 12 . 1 1 47 47 THR H H 47 8.767 8.767 8.117 0.650 18976 9769 1 12 . 1 1 48 48 GLU N N 48 120.607 120.607 124.598 -3.991 18976 9770 1 12 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.907 0.099 18976 9771 1 12 . 1 1 48 48 GLU C C 48 178.949 178.949 178.510 0.439 18976 9772 1 12 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.778 -0.037 18976 9773 1 12 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.285 -0.593 18976 9774 1 12 . 1 1 48 48 GLU H H 48 8.824 8.824 9.079 -0.255 18976 9775 1 12 . 1 1 49 49 ALA N N 49 120.678 120.678 121.728 -1.050 18976 9776 1 12 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.168 -0.049 18976 9777 1 12 . 1 1 49 49 ALA C C 49 180.226 180.226 179.420 0.806 18976 9778 1 12 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.706 0.010 18976 9779 1 12 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.069 -0.196 18976 9780 1 12 . 1 1 49 49 ALA H H 49 8.279 8.279 8.274 0.005 18976 9781 1 12 . 1 1 50 50 GLU N N 50 118.703 118.703 119.833 -1.130 18976 9782 1 12 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.097 -0.045 18976 9783 1 12 . 1 1 50 50 GLU C C 50 180.182 180.182 178.969 1.213 18976 9784 1 12 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.281 -0.424 18976 9785 1 12 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.665 -0.297 18976 9786 1 12 . 1 1 50 50 GLU H H 50 7.712 7.712 7.717 -0.005 18976 9787 1 12 . 1 1 51 51 LEU N N 51 120.420 120.420 118.521 1.899 18976 9788 1 12 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.097 -0.003 18976 9789 1 12 . 1 1 51 51 LEU C C 51 178.494 178.494 179.153 -0.659 18976 9790 1 12 . 1 1 51 51 LEU CA C 51 57.679 57.679 57.178 0.501 18976 9791 1 12 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.428 1.628 18976 9792 1 12 . 1 1 51 51 LEU H H 51 8.192 8.192 7.688 0.504 18976 9793 1 12 . 1 1 52 52 GLN N N 52 118.200 118.200 119.253 -1.053 18976 9794 1 12 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.988 -0.150 18976 9795 1 12 . 1 1 52 52 GLN C C 52 178.518 178.518 178.152 0.366 18976 9796 1 12 . 1 1 52 52 GLN CA C 52 58.197 58.197 59.342 -1.145 18976 9797 1 12 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.270 -0.367 18976 9798 1 12 . 1 1 52 52 GLN H H 52 8.212 8.212 7.914 0.298 18976 9799 1 12 . 1 1 53 53 ASP N N 53 119.922 119.922 120.415 -0.493 18976 9800 1 12 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.464 -0.034 18976 9801 1 12 . 1 1 53 53 ASP C C 53 178.635 178.635 178.398 0.237 18976 9802 1 12 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.222 0.040 18976 9803 1 12 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.997 -1.035 18976 9804 1 12 . 1 1 53 53 ASP H H 53 8.108 8.108 7.769 0.339 18976 9805 1 12 . 1 1 54 54 MET N N 54 119.290 119.290 116.834 2.456 18976 9806 1 12 . 1 1 54 54 MET HA H 54 4.044 4.044 4.384 -0.340 18976 9807 1 12 . 1 1 54 54 MET C C 54 178.876 178.876 177.657 1.219 18976 9808 1 12 . 1 1 54 54 MET CA C 54 59.108 59.108 58.506 0.602 18976 9809 1 12 . 1 1 54 54 MET CB C 54 32.930 32.930 32.740 0.189 18976 9810 1 12 . 1 1 54 54 MET H H 54 7.865 7.865 7.688 0.177 18976 9811 1 12 . 1 1 55 55 ILE N N 55 118.056 118.056 121.885 -3.829 18976 9812 1 12 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.588 -0.073 18976 9813 1 12 . 1 1 55 55 ILE C C 55 177.760 177.760 177.635 0.125 18976 9814 1 12 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.846 -0.366 18976 9815 1 12 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.792 -0.812 18976 9816 1 12 . 1 1 55 55 ILE H H 55 7.710 7.710 7.470 0.240 18976 9817 1 12 . 1 1 56 56 ASN N N 56 117.688 117.688 116.605 1.083 18976 9818 1 12 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.339 0.053 18976 9819 1 12 . 1 1 56 56 ASN C C 56 177.393 177.393 176.676 0.717 18976 9820 1 12 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.425 -0.839 18976 9821 1 12 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.317 -0.662 18976 9822 1 12 . 1 1 56 56 ASN H H 56 8.606 8.606 8.061 0.545 18976 9823 1 12 . 1 1 57 57 GLU N N 57 116.316 116.316 116.607 -0.291 18976 9824 1 12 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.183 -0.140 18976 9825 1 12 . 1 1 57 57 GLU C C 57 177.569 177.569 177.820 -0.251 18976 9826 1 12 . 1 1 57 57 GLU CA C 57 58.632 58.632 57.937 0.695 18976 9827 1 12 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.280 -0.181 18976 9828 1 12 . 1 1 57 57 GLU H H 57 7.580 7.580 7.703 -0.123 18976 9829 1 12 . 1 1 58 58 VAL N N 58 108.390 108.390 113.010 -4.620 18976 9830 1 12 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.140 0.342 18976 9831 1 12 . 1 1 58 58 VAL C C 58 175.749 175.749 175.789 -0.040 18976 9832 1 12 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.682 -2.265 18976 9833 1 12 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.315 0.051 18976 9834 1 12 . 1 1 58 58 VAL H H 58 7.219 7.219 7.384 -0.165 18976 9835 1 12 . 1 1 59 59 ASP N N 59 121.728 121.728 122.069 -0.341 18976 9836 1 12 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.948 -0.306 18976 9837 1 12 . 1 1 59 59 ASP C C 59 176.219 176.219 175.785 0.434 18976 9838 1 12 . 1 1 59 59 ASP CA C 59 53.468 53.468 52.839 0.629 18976 9839 1 12 . 1 1 59 59 ASP CB C 59 39.865 39.865 40.136 -0.271 18976 9840 1 12 . 1 1 59 59 ASP H H 59 7.674 7.674 7.853 -0.179 18976 9841 1 12 . 1 1 60 60 ALA N N 60 109.214 109.214 127.248 -18.034 18976 9842 1 12 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.165 0.051 18976 9843 1 12 . 1 1 60 60 ALA C C 60 178.626 178.626 178.376 0.250 18976 9844 1 12 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.807 0.178 18976 9845 1 12 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.346 -0.200 18976 9846 1 12 . 1 1 60 60 ALA H H 60 8.481 8.481 8.006 0.475 18976 9847 1 12 . 1 1 61 61 ASP N N 61 113.667 113.667 116.543 -2.876 18976 9848 1 12 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.582 0.041 18976 9849 1 12 . 1 1 61 61 ASP C C 61 177.848 177.848 177.515 0.333 18976 9850 1 12 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.869 -1.458 18976 9851 1 12 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.180 -1.629 18976 9852 1 12 . 1 1 61 61 ASP H H 61 8.158 8.158 8.046 0.112 18976 9853 1 12 . 1 1 62 62 GLY N N 62 108.314 108.314 110.674 -2.360 18976 9854 1 12 . 1 1 62 62 GLY C C 62 174.933 174.933 174.684 0.249 18976 9855 1 12 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.659 1.283 18976 9856 1 12 . 1 1 62 62 GLY H H 62 7.585 7.585 8.366 -0.781 18976 9857 1 12 . 1 1 63 63 ASN N N 63 118.384 118.384 119.341 -0.957 18976 9858 1 12 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.803 -0.146 18976 9859 1 12 . 1 1 63 63 ASN C C 63 176.835 176.835 176.480 0.355 18976 9860 1 12 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.618 -0.395 18976 9861 1 12 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.793 -2.427 18976 9862 1 12 . 1 1 63 63 ASN H H 63 8.086 8.086 8.454 -0.368 18976 9863 1 12 . 1 1 64 64 GLY N N 64 113.412 113.412 110.081 3.331 18976 9864 1 12 . 1 1 64 64 GLY C C 64 173.254 173.254 173.281 -0.027 18976 9865 1 12 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.436 -0.039 18976 9866 1 12 . 1 1 64 64 GLY H H 64 10.618 10.618 8.367 2.251 18976 9867 1 12 . 1 1 65 65 THR N N 65 108.877 108.877 113.578 -4.701 18976 9868 1 12 . 1 1 65 65 THR HA H 65 4.766 4.766 4.634 0.132 18976 9869 1 12 . 1 1 65 65 THR C C 65 173.195 173.195 173.348 -0.153 18976 9870 1 12 . 1 1 65 65 THR CA C 65 59.301 59.301 61.227 -1.926 18976 9871 1 12 . 1 1 65 65 THR CB C 65 71.695 71.695 72.600 -0.905 18976 9872 1 12 . 1 1 65 65 THR H H 65 7.684 7.684 8.063 -0.379 18976 9873 1 12 . 1 1 66 66 ILE N N 66 123.673 123.673 122.752 0.921 18976 9874 1 12 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.310 0.880 18976 9875 1 12 . 1 1 66 66 ILE C C 66 175.529 175.529 174.663 0.866 18976 9876 1 12 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.002 -1.318 18976 9877 1 12 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.351 0.066 18976 9878 1 12 . 1 1 66 66 ILE H H 66 8.912 8.912 8.323 0.589 18976 9879 1 12 . 1 1 67 67 ASP N N 67 128.135 128.135 126.264 1.871 18976 9880 1 12 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.043 0.341 18976 9881 1 12 . 1 1 67 67 ASP C C 67 176.322 176.322 177.063 -0.741 18976 9882 1 12 . 1 1 67 67 ASP CA C 67 51.843 51.843 52.299 -0.456 18976 9883 1 12 . 1 1 67 67 ASP CB C 67 41.787 41.787 44.158 -2.371 18976 9884 1 12 . 1 1 67 67 ASP H H 67 8.824 8.824 8.602 0.222 18976 9885 1 12 . 1 1 68 68 PHE N N 68 118.627 118.627 121.745 -3.118 18976 9886 1 12 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.138 -0.114 18976 9887 1 12 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.992 0.178 18976 9888 1 12 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.970 -1.369 18976 9889 1 12 . 1 1 68 68 PHE H H 68 8.943 8.943 9.025 -0.082 18976 9890 1 12 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.950 -0.074 18976 9891 1 12 . 1 1 69 69 PRO C C 69 180.037 180.037 178.517 1.520 18976 9892 1 12 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.905 0.487 18976 9893 1 12 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.077 -0.703 18976 9894 1 12 . 1 1 70 70 GLU N N 70 117.615 117.615 117.950 -0.335 18976 9895 1 12 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.045 0.063 18976 9896 1 12 . 1 1 70 70 GLU C C 70 178.773 178.773 179.008 -0.235 18976 9897 1 12 . 1 1 70 70 GLU CA C 70 58.566 58.566 59.070 -0.504 18976 9898 1 12 . 1 1 70 70 GLU CB C 70 29.026 29.026 28.911 0.115 18976 9899 1 12 . 1 1 70 70 GLU H H 70 7.969 7.969 7.741 0.228 18976 9900 1 12 . 1 1 71 71 PHE N N 71 123.460 123.460 121.891 1.569 18976 9901 1 12 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.142 -0.168 18976 9902 1 12 . 1 1 71 71 PHE C C 71 177.041 177.041 176.503 0.538 18976 9903 1 12 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.535 -0.508 18976 9904 1 12 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.383 0.324 18976 9905 1 12 . 1 1 71 71 PHE H H 71 8.861 8.861 8.237 0.624 18976 9906 1 12 . 1 1 72 72 LEU N N 72 118.749 118.749 117.602 1.147 18976 9907 1 12 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.369 -0.001 18976 9908 1 12 . 1 1 72 72 LEU C C 72 178.949 178.949 178.921 0.028 18976 9909 1 12 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.068 0.528 18976 9910 1 12 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.690 0.052 18976 9911 1 12 . 1 1 72 72 LEU H H 72 8.411 8.411 7.637 0.774 18976 9912 1 12 . 1 1 73 73 THR N N 73 115.213 115.213 115.686 -0.473 18976 9913 1 12 . 1 1 73 73 THR HA H 73 3.753 3.753 3.959 -0.206 18976 9914 1 12 . 1 1 73 73 THR C C 73 175.955 175.955 176.216 -0.261 18976 9915 1 12 . 1 1 73 73 THR CA C 73 66.313 66.313 66.070 0.243 18976 9916 1 12 . 1 1 73 73 THR CB C 73 68.075 68.075 68.820 -0.745 18976 9917 1 12 . 1 1 73 73 THR H H 73 7.522 7.522 7.189 0.333 18976 9918 1 12 . 1 1 74 74 MET N N 74 121.455 121.455 121.484 -0.029 18976 9919 1 12 . 1 1 74 74 MET HA H 74 3.773 3.773 4.100 -0.327 18976 9920 1 12 . 1 1 74 74 MET C C 74 178.098 178.098 177.397 0.701 18976 9921 1 12 . 1 1 74 74 MET CA C 74 58.603 58.603 57.399 1.204 18976 9922 1 12 . 1 1 74 74 MET CB C 74 32.905 32.905 32.101 0.804 18976 9923 1 12 . 1 1 74 74 MET H H 74 7.783 7.783 7.874 -0.091 18976 9924 1 12 . 1 1 75 75 MET N N 75 116.557 116.557 116.054 0.503 18976 9925 1 12 . 1 1 75 75 MET HA H 75 3.998 3.998 3.954 0.044 18976 9926 1 12 . 1 1 75 75 MET C C 75 178.700 178.700 178.239 0.461 18976 9927 1 12 . 1 1 75 75 MET CA C 75 55.472 55.472 56.985 -1.513 18976 9928 1 12 . 1 1 75 75 MET CB C 75 30.693 30.693 31.018 -0.325 18976 9929 1 12 . 1 1 75 75 MET H H 75 8.077 8.077 8.140 -0.063 18976 9930 1 12 . 1 1 76 76 ALA N N 76 122.410 122.410 120.647 1.763 18976 9931 1 12 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.986 0.103 18976 9932 1 12 . 1 1 76 76 ALA C C 76 179.683 179.683 178.588 1.095 18976 9933 1 12 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.479 -0.103 18976 9934 1 12 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.202 -0.423 18976 9935 1 12 . 1 1 76 76 ALA H H 76 8.303 8.303 7.480 0.823 18976 9936 1 12 . 1 1 77 77 ARG N N 77 116.451 116.451 116.611 -0.160 18976 9937 1 12 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.080 0.022 18976 9938 1 12 . 1 1 77 77 ARG C C 77 177.701 177.701 177.672 0.029 18976 9939 1 12 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.257 -0.215 18976 9940 1 12 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.347 -0.339 18976 9941 1 12 . 1 1 77 77 ARG H H 77 7.622 7.622 7.510 0.112 18976 9942 1 12 . 1 1 78 78 LYS N N 78 118.021 118.021 116.010 2.011 18976 9943 1 12 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.341 -0.102 18976 9944 1 12 . 1 1 78 78 LYS C C 78 177.525 177.525 177.182 0.343 18976 9945 1 12 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.123 -0.402 18976 9946 1 12 . 1 1 78 78 LYS CB C 78 32.213 32.213 33.342 -1.129 18976 9947 1 12 . 1 1 78 78 LYS H H 78 7.577 7.577 7.443 0.134 18976 9948 1 12 . 1 1 79 79 MET N N 79 118.929 118.929 118.638 0.291 18976 9949 1 12 . 1 1 79 79 MET HA H 79 4.351 4.351 4.515 -0.164 18976 9950 1 12 . 1 1 79 79 MET C C 79 176.322 176.322 176.522 -0.200 18976 9951 1 12 . 1 1 79 79 MET CA C 79 56.345 56.345 56.121 0.224 18976 9952 1 12 . 1 1 79 79 MET CB C 79 32.946 32.946 32.485 0.461 18976 9953 1 12 . 1 1 79 79 MET H H 79 7.772 7.772 7.793 -0.021 18976 9954 1 12 . 1 1 80 80 LYS N N 80 120.686 120.686 119.685 1.001 18976 9955 1 12 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.121 0.206 18976 9956 1 12 . 1 1 80 80 LYS C C 80 176.395 176.395 176.193 0.202 18976 9957 1 12 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.655 -1.511 18976 9958 1 12 . 1 1 80 80 LYS CB C 80 32.808 32.808 32.315 0.493 18976 9959 1 12 . 1 1 80 80 LYS H H 80 7.955 7.955 7.909 0.046 18976 9960 1 12 . 1 1 81 81 ASP N N 81 121.721 121.721 118.507 3.214 18976 9961 1 12 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.392 0.297 18976 9962 1 12 . 1 1 81 81 ASP C C 81 176.644 176.644 176.934 -0.290 18976 9963 1 12 . 1 1 81 81 ASP CA C 81 54.286 54.286 54.518 -0.232 18976 9964 1 12 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.123 -0.330 18976 9965 1 12 . 1 1 81 81 ASP H H 81 8.341 8.341 8.369 -0.028 18976 9966 1 12 . 1 1 82 82 THR N N 82 114.594 114.594 113.222 1.372 18976 9967 1 12 . 1 1 82 82 THR HA H 82 4.323 4.323 3.755 0.568 18976 9968 1 12 . 1 1 82 82 THR C C 82 174.584 174.584 175.927 -1.343 18976 9969 1 12 . 1 1 82 82 THR CA C 82 61.955 61.955 64.135 -2.180 18976 9970 1 12 . 1 1 82 82 THR CB C 82 69.586 69.586 68.056 1.530 18976 9971 1 12 . 1 1 82 82 THR H H 82 8.123 8.123 8.368 -0.245 18976 9972 1 12 . 1 1 83 83 ASP N N 83 123.126 123.126 122.122 1.004 18976 9973 1 12 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.132 0.567 18976 9974 1 12 . 1 1 83 83 ASP C C 83 176.674 176.674 178.139 -1.465 18976 9975 1 12 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.702 -2.211 18976 9976 1 12 . 1 1 83 83 ASP CB C 83 41.040 41.040 39.785 1.255 18976 9977 1 12 . 1 1 83 83 ASP H H 83 8.439 8.439 8.327 0.112 18976 9978 1 12 . 1 1 84 84 SER N N 84 116.982 116.982 115.242 1.740 18976 9979 1 12 . 1 1 84 84 SER HA H 84 4.458 4.458 4.142 0.316 18976 9980 1 12 . 1 1 84 84 SER C C 84 175.393 175.393 176.067 -0.674 18976 9981 1 12 . 1 1 84 84 SER CA C 84 58.943 58.943 61.311 -2.368 18976 9982 1 12 . 1 1 84 84 SER CB C 84 63.550 63.550 62.993 0.557 18976 9983 1 12 . 1 1 84 84 SER H H 84 8.418 8.418 8.171 0.247 18976 9984 1 12 . 1 1 85 85 GLU N N 85 122.632 122.632 121.306 1.326 18976 9985 1 12 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.114 0.097 18976 9986 1 12 . 1 1 85 85 GLU C C 85 177.716 177.716 178.088 -0.372 18976 9987 1 12 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.017 -0.478 18976 9988 1 12 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.791 0.436 18976 9989 1 12 . 1 1 85 85 GLU H H 85 8.504 8.504 8.744 -0.240 18976 9990 1 12 . 1 1 86 86 GLU N N 86 119.077 119.077 119.849 -0.772 18976 9991 1 12 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.998 0.063 18976 9992 1 12 . 1 1 86 86 GLU C C 86 178.885 178.885 178.807 0.078 18976 9993 1 12 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.883 0.482 18976 9994 1 12 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.594 -0.529 18976 9995 1 12 . 1 1 86 86 GLU H H 86 8.333 8.333 7.950 0.383 18976 9996 1 12 . 1 1 87 87 GLU N N 87 119.138 119.138 120.436 -1.298 18976 9997 1 12 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.109 0.037 18976 9998 1 12 . 1 1 87 87 GLU C C 87 179.823 179.823 178.991 0.832 18976 9999 1 12 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.176 -0.266 18976 10000 1 12 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.296 -0.030 18976 10001 1 12 . 1 1 87 87 GLU H H 87 8.130 8.130 7.776 0.354 18976 10002 1 12 . 1 1 88 88 LEU N N 88 122.103 122.103 118.678 3.425 18976 10003 1 12 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.340 0.051 18976 10004 1 12 . 1 1 88 88 LEU C C 88 178.905 178.905 179.380 -0.475 18976 10005 1 12 . 1 1 88 88 LEU CA C 88 57.716 57.716 56.892 0.824 18976 10006 1 12 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.665 0.196 18976 10007 1 12 . 1 1 88 88 LEU H H 88 8.152 8.152 7.616 0.536 18976 10008 1 12 . 1 1 89 89 ARG N N 89 120.092 120.092 120.964 -0.872 18976 10009 1 12 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.190 -0.140 18976 10010 1 12 . 1 1 89 89 ARG C C 89 179.507 179.507 178.487 1.020 18976 10011 1 12 . 1 1 89 89 ARG CA C 89 59.411 59.411 60.126 -0.715 18976 10012 1 12 . 1 1 89 89 ARG CB C 89 29.460 29.460 30.150 -0.690 18976 10013 1 12 . 1 1 89 89 ARG H H 89 8.499 8.499 8.735 -0.236 18976 10014 1 12 . 1 1 90 90 GLU N N 90 119.315 119.315 119.439 -0.124 18976 10015 1 12 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.182 -0.015 18976 10016 1 12 . 1 1 90 90 GLU C C 90 178.068 178.068 178.286 -0.218 18976 10017 1 12 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.745 -0.155 18976 10018 1 12 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.198 -0.269 18976 10019 1 12 . 1 1 90 90 GLU H H 90 8.040 8.040 8.122 -0.082 18976 10020 1 12 . 1 1 91 91 ALA N N 91 121.794 121.794 123.001 -1.207 18976 10021 1 12 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.094 0.117 18976 10022 1 12 . 1 1 91 91 ALA C C 91 179.855 179.855 179.209 0.646 18976 10023 1 12 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.272 -0.546 18976 10024 1 12 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.350 -0.780 18976 10025 1 12 . 1 1 91 91 ALA H H 91 7.996 7.996 7.774 0.222 18976 10026 1 12 . 1 1 92 92 PHE N N 92 119.368 119.368 119.586 -0.218 18976 10027 1 12 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.815 -0.685 18976 10028 1 12 . 1 1 92 92 PHE C C 92 176.454 176.454 177.086 -0.632 18976 10029 1 12 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.213 0.019 18976 10030 1 12 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.146 -0.219 18976 10031 1 12 . 1 1 92 92 PHE H H 92 8.360 8.360 8.148 0.212 18976 10032 1 12 . 1 1 93 93 ARG N N 93 117.178 117.178 119.905 -2.727 18976 10033 1 12 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.864 0.001 18976 10034 1 12 . 1 1 93 93 ARG C C 93 178.421 178.421 178.899 -0.478 18976 10035 1 12 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.395 -0.554 18976 10036 1 12 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.183 -0.277 18976 10037 1 12 . 1 1 93 93 ARG H H 93 7.895 7.895 7.614 0.281 18976 10038 1 12 . 1 1 94 94 VAL N N 94 115.719 115.719 118.776 -3.057 18976 10039 1 12 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.714 -0.114 18976 10040 1 12 . 1 1 94 94 VAL C C 94 177.334 177.334 177.471 -0.137 18976 10041 1 12 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.547 -0.515 18976 10042 1 12 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.271 0.273 18976 10043 1 12 . 1 1 94 94 VAL H H 94 7.541 7.541 7.966 -0.425 18976 10044 1 12 . 1 1 95 95 GLU N N 95 117.921 117.921 115.315 2.606 18976 10045 1 12 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.047 -0.039 18976 10046 1 12 . 1 1 95 95 GLU C C 95 176.953 176.953 176.590 0.363 18976 10047 1 12 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.896 0.360 18976 10048 1 12 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.735 -1.048 18976 10049 1 12 . 1 1 95 95 GLU H H 95 7.011 7.011 7.553 -0.542 18976 10050 1 12 . 1 1 96 96 ASP N N 96 117.365 117.365 118.685 -1.320 18976 10051 1 12 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.850 -0.400 18976 10052 1 12 . 1 1 96 96 ASP C C 96 177.202 177.202 176.552 0.650 18976 10053 1 12 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.734 -1.261 18976 10054 1 12 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.345 -2.271 18976 10055 1 12 . 1 1 96 96 ASP H H 96 7.626 7.626 7.414 0.212 18976 10056 1 12 . 1 1 97 97 LYS N N 97 124.733 124.733 123.631 1.102 18976 10057 1 12 . 1 1 97 97 LYS HA H 97 3.901 3.901 3.978 -0.077 18976 10058 1 12 . 1 1 97 97 LYS C C 97 178.333 178.333 177.578 0.755 18976 10059 1 12 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.478 0.127 18976 10060 1 12 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.404 0.026 18976 10061 1 12 . 1 1 97 97 LYS H H 97 7.357 7.357 7.892 -0.535 18976 10062 1 12 . 1 1 98 98 ASP N N 98 114.048 114.048 114.891 -0.843 18976 10063 1 12 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.469 0.099 18976 10064 1 12 . 1 1 98 98 ASP C C 98 177.775 177.775 177.428 0.347 18976 10065 1 12 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.164 -1.507 18976 10066 1 12 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.126 -0.533 18976 10067 1 12 . 1 1 98 98 ASP H H 98 8.352 8.352 8.248 0.104 18976 10068 1 12 . 1 1 99 99 GLY N N 99 109.454 109.454 109.275 0.179 18976 10069 1 12 . 1 1 99 99 GLY C C 99 175.082 175.082 175.334 -0.252 18976 10070 1 12 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.898 0.929 18976 10071 1 12 . 1 1 99 99 GLY H H 99 7.828 7.828 8.010 -0.182 18976 10072 1 12 . 1 1 100 100 ASN N N 100 119.607 119.607 118.954 0.653 18976 10073 1 12 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.709 -0.074 18976 10074 1 12 . 1 1 100 100 ASN C C 100 175.969 175.969 176.923 -0.954 18976 10075 1 12 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.345 -0.862 18976 10076 1 12 . 1 1 100 100 ASN CB C 100 37.881 37.881 38.847 -0.966 18976 10077 1 12 . 1 1 100 100 ASN H H 100 8.334 8.334 8.192 0.142 18976 10078 1 12 . 1 1 101 101 GLY N N 101 113.007 113.007 107.187 5.820 18976 10079 1 12 . 1 1 101 101 GLY C C 101 172.314 172.314 172.856 -0.542 18976 10080 1 12 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.037 -0.355 18976 10081 1 12 . 1 1 101 101 GLY H H 101 10.640 10.640 8.648 1.992 18976 10082 1 12 . 1 1 102 102 TYR N N 102 115.913 115.913 117.674 -1.761 18976 10083 1 12 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.255 -0.069 18976 10084 1 12 . 1 1 102 102 TYR C C 102 174.736 174.736 174.798 -0.062 18976 10085 1 12 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.208 -0.546 18976 10086 1 12 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.600 1.201 18976 10087 1 12 . 1 1 102 102 TYR H H 102 7.610 7.610 8.275 -0.665 18976 10088 1 12 . 1 1 103 103 ILE N N 103 127.698 127.698 123.830 3.868 18976 10089 1 12 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.498 0.318 18976 10090 1 12 . 1 1 103 103 ILE C C 103 175.634 175.634 175.882 -0.248 18976 10091 1 12 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.134 1.304 18976 10092 1 12 . 1 1 103 103 ILE CB C 103 38.919 38.919 37.470 1.449 18976 10093 1 12 . 1 1 103 103 ILE H H 103 10.228 10.228 8.525 1.703 18976 10094 1 12 . 1 1 104 104 SER N N 104 123.581 123.581 122.567 1.014 18976 10095 1 12 . 1 1 104 104 SER HA H 104 4.849 4.849 5.096 -0.247 18976 10096 1 12 . 1 1 104 104 SER C C 104 175.191 175.191 175.513 -0.322 18976 10097 1 12 . 1 1 104 104 SER CA C 104 55.499 55.499 56.163 -0.664 18976 10098 1 12 . 1 1 104 104 SER CB C 104 66.371 66.371 64.841 1.530 18976 10099 1 12 . 1 1 104 104 SER H H 104 8.947 8.947 8.969 -0.022 18976 10100 1 12 . 1 1 105 105 ALA N N 105 122.829 122.829 124.995 -2.166 18976 10101 1 12 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.045 -0.116 18976 10102 1 12 . 1 1 105 105 ALA C C 105 179.272 179.272 178.728 0.544 18976 10103 1 12 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.410 0.250 18976 10104 1 12 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.554 -0.871 18976 10105 1 12 . 1 1 105 105 ALA H H 105 9.251 9.251 9.064 0.187 18976 10106 1 12 . 1 1 106 106 ALA N N 106 118.442 118.442 120.710 -2.268 18976 10107 1 12 . 1 1 106 106 ALA HA H 106 4.037 4.037 4.004 0.033 18976 10108 1 12 . 1 1 106 106 ALA C C 106 181.180 181.180 179.331 1.849 18976 10109 1 12 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.732 0.109 18976 10110 1 12 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.081 -0.038 18976 10111 1 12 . 1 1 106 106 ALA H H 106 8.209 8.209 8.084 0.125 18976 10112 1 12 . 1 1 107 107 GLU N N 107 118.406 118.406 119.137 -0.731 18976 10113 1 12 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.909 0.083 18976 10114 1 12 . 1 1 107 107 GLU C C 107 179.272 179.272 179.090 0.182 18976 10115 1 12 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.327 -0.186 18976 10116 1 12 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.120 -0.364 18976 10117 1 12 . 1 1 107 107 GLU H H 107 7.752 7.752 7.802 -0.050 18976 10118 1 12 . 1 1 108 108 LEU N N 108 122.413 122.413 119.484 2.929 18976 10119 1 12 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.917 0.155 18976 10120 1 12 . 1 1 108 108 LEU C C 108 178.553 178.553 178.941 -0.388 18976 10121 1 12 . 1 1 108 108 LEU CA C 108 57.292 57.292 58.112 -0.820 18976 10122 1 12 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.572 -0.129 18976 10123 1 12 . 1 1 108 108 LEU H H 108 8.793 8.793 8.003 0.790 18976 10124 1 12 . 1 1 109 109 ARG N N 109 118.074 118.074 118.280 -0.206 18976 10125 1 12 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.997 -0.140 18976 10126 1 12 . 1 1 109 109 ARG C C 109 179.140 179.140 179.346 -0.206 18976 10127 1 12 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.403 0.383 18976 10128 1 12 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.263 -0.439 18976 10129 1 12 . 1 1 109 109 ARG H H 109 8.421 8.421 7.728 0.693 18976 10130 1 12 . 1 1 110 110 ILE N N 110 120.191 120.191 115.982 4.209 18976 10131 1 12 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.016 -0.229 18976 10132 1 12 . 1 1 110 110 ILE C C 110 177.804 177.804 177.911 -0.107 18976 10133 1 12 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.322 1.231 18976 10134 1 12 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.414 0.644 18976 10135 1 12 . 1 1 110 110 ILE H H 110 7.401 7.401 7.634 -0.233 18976 10136 1 12 . 1 1 111 111 VAL N N 111 120.330 120.330 121.132 -0.802 18976 10137 1 12 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.544 0.219 18976 10138 1 12 . 1 1 111 111 VAL C C 111 178.802 178.802 178.168 0.634 18976 10139 1 12 . 1 1 111 111 VAL CA C 111 65.690 65.690 66.311 -0.621 18976 10140 1 12 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.588 0.003 18976 10141 1 12 . 1 1 111 111 VAL H H 111 7.907 7.907 7.580 0.327 18976 10142 1 12 . 1 1 112 112 MET N N 112 116.794 116.794 117.428 -0.634 18976 10143 1 12 . 1 1 112 112 MET HA H 112 4.396 4.396 4.228 0.168 18976 10144 1 12 . 1 1 112 112 MET C C 112 178.890 178.890 178.688 0.202 18976 10145 1 12 . 1 1 112 112 MET CA C 112 56.719 56.719 56.790 -0.071 18976 10146 1 12 . 1 1 112 112 MET CB C 112 30.384 30.384 31.010 -0.626 18976 10147 1 12 . 1 1 112 112 MET H H 112 8.355 8.355 8.436 -0.081 18976 10148 1 12 . 1 1 113 113 THR N N 113 117.282 117.282 114.292 2.990 18976 10149 1 12 . 1 1 113 113 THR HA H 113 4.187 4.187 4.014 0.173 18976 10150 1 12 . 1 1 113 113 THR C C 113 178.112 178.112 176.135 1.977 18976 10151 1 12 . 1 1 113 113 THR CA C 113 65.902 65.902 66.572 -0.670 18976 10152 1 12 . 1 1 113 113 THR CB C 113 68.642 68.642 68.487 0.155 18976 10153 1 12 . 1 1 113 113 THR H H 113 8.314 8.314 7.883 0.431 18976 10154 1 12 . 1 1 114 114 ASN N N 114 122.220 122.220 117.870 4.350 18976 10155 1 12 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.667 -0.075 18976 10156 1 12 . 1 1 114 114 ASN C C 114 176.644 176.644 176.769 -0.125 18976 10157 1 12 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.385 0.769 18976 10158 1 12 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.905 -1.309 18976 10159 1 12 . 1 1 114 114 ASN H H 114 8.483 8.483 7.517 0.966 18976 10160 1 12 . 1 1 115 115 ARG N N 115 117.970 117.970 119.421 -1.451 18976 10161 1 12 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.357 0.072 18976 10162 1 12 . 1 1 115 115 ARG C C 115 176.366 176.366 177.322 -0.956 18976 10163 1 12 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.251 0.148 18976 10164 1 12 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.599 -0.099 18976 10165 1 12 . 1 1 115 115 ARG H H 115 7.776 7.776 7.863 -0.087 18976 10166 1 12 . 1 1 116 116 GLY N N 116 107.547 107.547 106.400 1.147 18976 10167 1 12 . 1 1 116 116 GLY C C 116 174.384 174.384 174.235 0.149 18976 10168 1 12 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.196 0.012 18976 10169 1 12 . 1 1 116 116 GLY H H 116 7.968 7.968 7.943 0.025 18976 10170 1 12 . 1 1 117 117 GLU N N 117 119.975 119.975 121.740 -1.765 18976 10171 1 12 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.582 -0.176 18976 10172 1 12 . 1 1 117 117 GLU C C 117 175.558 175.558 174.962 0.596 18976 10173 1 12 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.991 0.186 18976 10174 1 12 . 1 1 117 117 GLU CB C 117 30.400 30.400 31.331 -0.930 18976 10175 1 12 . 1 1 117 117 GLU H H 117 7.934 7.934 7.828 0.106 18976 10176 1 12 . 1 1 118 118 LYS N N 118 124.035 124.035 123.551 0.484 18976 10177 1 12 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.515 -0.111 18976 10178 1 12 . 1 1 118 118 LYS C C 118 175.441 175.441 175.944 -0.503 18976 10179 1 12 . 1 1 118 118 LYS CA C 118 55.267 55.267 55.715 -0.449 18976 10180 1 12 . 1 1 118 118 LYS CB C 118 31.850 31.850 33.081 -1.231 18976 10181 1 12 . 1 1 118 118 LYS H H 118 8.626 8.626 8.290 0.336 18976 10182 1 12 . 1 1 119 119 LEU N N 119 124.745 124.745 126.292 -1.547 18976 10183 1 12 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.608 0.162 18976 10184 1 12 . 1 1 119 119 LEU C C 119 178.127 178.127 176.817 1.310 18976 10185 1 12 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.340 0.499 18976 10186 1 12 . 1 1 119 119 LEU CB C 119 44.323 44.323 43.877 0.446 18976 10187 1 12 . 1 1 119 119 LEU H H 119 8.140 8.140 8.509 -0.369 18976 10188 1 12 . 1 1 120 120 THR N N 120 114.555 114.555 117.301 -2.746 18976 10189 1 12 . 1 1 120 120 THR HA H 120 4.477 4.477 4.313 0.164 18976 10190 1 12 . 1 1 120 120 THR C C 120 175.514 175.514 175.273 0.241 18976 10191 1 12 . 1 1 120 120 THR CA C 120 60.613 60.613 61.885 -1.272 18976 10192 1 12 . 1 1 120 120 THR CB C 120 70.902 70.902 69.911 0.991 18976 10193 1 12 . 1 1 120 120 THR H H 120 9.220 9.220 8.306 0.914 18976 10194 1 12 . 1 1 121 121 ASP N N 121 121.128 121.128 120.528 0.600 18976 10195 1 12 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.211 0.017 18976 10196 1 12 . 1 1 121 121 ASP C C 121 178.655 178.655 178.356 0.299 18976 10197 1 12 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.510 0.242 18976 10198 1 12 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.545 -1.230 18976 10199 1 12 . 1 1 121 121 ASP H H 121 8.921 8.921 8.757 0.164 18976 10200 1 12 . 1 1 122 122 GLU N N 122 119.266 119.266 119.920 -0.654 18976 10201 1 12 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.093 0.026 18976 10202 1 12 . 1 1 122 122 GLU C C 122 179.184 179.184 178.583 0.601 18976 10203 1 12 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.089 0.683 18976 10204 1 12 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.300 -0.434 18976 10205 1 12 . 1 1 122 122 GLU H H 122 8.712 8.712 8.429 0.283 18976 10206 1 12 . 1 1 123 123 GLU N N 123 120.455 120.455 117.941 2.514 18976 10207 1 12 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.411 -0.388 18976 10208 1 12 . 1 1 123 123 GLU C C 123 180.123 180.123 179.039 1.084 18976 10209 1 12 . 1 1 123 123 GLU CA C 123 59.090 59.090 59.489 -0.399 18976 10210 1 12 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.165 1.048 18976 10211 1 12 . 1 1 123 123 GLU H H 123 7.763 7.763 8.700 -0.937 18976 10212 1 12 . 1 1 124 124 VAL N N 124 121.726 121.726 115.509 6.217 18976 10213 1 12 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.884 -0.277 18976 10214 1 12 . 1 1 124 124 VAL C C 124 177.337 177.337 177.228 0.109 18976 10215 1 12 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.767 0.965 18976 10216 1 12 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.639 -0.597 18976 10217 1 12 . 1 1 124 124 VAL H H 124 8.119 8.119 7.974 0.145 18976 10218 1 12 . 1 1 125 125 ASP N N 125 119.880 119.880 120.858 -0.978 18976 10219 1 12 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.417 -0.066 18976 10220 1 12 . 1 1 125 125 ASP C C 125 179.323 179.323 177.977 1.346 18976 10221 1 12 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.584 -0.209 18976 10222 1 12 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.897 -0.785 18976 10223 1 12 . 1 1 125 125 ASP H H 125 8.051 8.051 7.710 0.341 18976 10224 1 12 . 1 1 126 126 GLU N N 126 119.798 119.798 119.823 -0.025 18976 10225 1 12 . 1 1 126 126 GLU HA H 126 4.021 4.021 3.956 0.065 18976 10226 1 12 . 1 1 126 126 GLU C C 126 177.966 177.966 178.814 -0.848 18976 10227 1 12 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.474 -0.501 18976 10228 1 12 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.648 -0.564 18976 10229 1 12 . 1 1 126 126 GLU H H 126 8.047 8.047 7.995 0.052 18976 10230 1 12 . 1 1 127 127 MET N N 127 119.443 119.443 117.699 1.744 18976 10231 1 12 . 1 1 127 127 MET HA H 127 4.137 4.137 4.227 -0.090 18976 10232 1 12 . 1 1 127 127 MET C C 127 179.859 179.859 178.976 0.883 18976 10233 1 12 . 1 1 127 127 MET CA C 127 59.137 59.137 57.508 1.629 18976 10234 1 12 . 1 1 127 127 MET CB C 127 32.239 32.239 31.744 0.495 18976 10235 1 12 . 1 1 127 127 MET H H 127 7.795 7.795 7.425 0.370 18976 10236 1 12 . 1 1 128 128 ILE N N 128 120.667 120.667 119.610 1.057 18976 10237 1 12 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.670 -0.149 18976 10238 1 12 . 1 1 128 128 ILE C C 128 177.657 177.657 177.919 -0.262 18976 10239 1 12 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.340 -1.528 18976 10240 1 12 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.470 -1.483 18976 10241 1 12 . 1 1 128 128 ILE H H 128 8.158 8.158 7.818 0.340 18976 10242 1 12 . 1 1 129 129 ARG N N 129 119.725 119.725 119.357 0.368 18976 10243 1 12 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.047 0.022 18976 10244 1 12 . 1 1 129 129 ARG C C 129 178.920 178.920 177.881 1.039 18976 10245 1 12 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.852 0.763 18976 10246 1 12 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.132 -0.250 18976 10247 1 12 . 1 1 129 129 ARG H H 129 8.270 8.270 7.720 0.550 18976 10248 1 12 . 1 1 130 130 GLU N N 130 115.236 115.236 116.720 -1.484 18976 10249 1 12 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.218 -0.124 18976 10250 1 12 . 1 1 130 130 GLU C C 130 177.349 177.349 177.897 -0.548 18976 10251 1 12 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.562 -0.662 18976 10252 1 12 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.766 0.057 18976 10253 1 12 . 1 1 130 130 GLU H H 130 7.953 7.953 7.987 -0.034 18976 10254 1 12 . 1 1 131 131 THR N N 131 112.585 112.585 112.681 -0.096 18976 10255 1 12 . 1 1 131 131 THR HA H 131 4.239 4.239 4.327 -0.088 18976 10256 1 12 . 1 1 131 131 THR C C 131 174.149 174.149 174.748 -0.599 18976 10257 1 12 . 1 1 131 131 THR CA C 131 62.887 62.887 63.693 -0.806 18976 10258 1 12 . 1 1 131 131 THR CB C 131 69.337 69.337 70.104 -0.767 18976 10259 1 12 . 1 1 131 131 THR H H 131 7.465 7.465 7.620 -0.155 18976 10260 1 12 . 1 1 132 132 ASP N N 132 121.237 121.237 121.088 0.149 18976 10261 1 12 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.780 -0.302 18976 10262 1 12 . 1 1 132 132 ASP C C 132 175.777 175.777 176.870 -1.093 18976 10263 1 12 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.838 1.116 18976 10264 1 12 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.735 -2.295 18976 10265 1 12 . 1 1 132 132 ASP H H 132 8.070 8.070 8.108 -0.038 18976 10266 1 12 . 1 1 133 133 ILE N N 133 127.244 127.244 123.640 3.604 18976 10267 1 12 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.055 -0.079 18976 10268 1 12 . 1 1 133 133 ILE C C 133 177.628 177.628 176.469 1.159 18976 10269 1 12 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.244 0.622 18976 10270 1 12 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.611 -0.133 18976 10271 1 12 . 1 1 133 133 ILE H H 133 8.345 8.345 8.377 -0.032 18976 10272 1 12 . 1 1 134 134 ASP N N 134 116.893 116.893 118.903 -2.010 18976 10273 1 12 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.545 -0.012 18976 10274 1 12 . 1 1 134 134 ASP C C 134 178.259 178.259 177.433 0.826 18976 10275 1 12 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.233 -0.690 18976 10276 1 12 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.662 -0.824 18976 10277 1 12 . 1 1 134 134 ASP H H 134 8.297 8.297 8.127 0.170 18976 10278 1 12 . 1 1 135 135 GLY N N 135 108.287 108.287 108.261 0.026 18976 10279 1 12 . 1 1 135 135 GLY C C 135 175.250 175.250 175.373 -0.123 18976 10280 1 12 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.898 1.199 18976 10281 1 12 . 1 1 135 135 GLY H H 135 7.623 7.623 8.042 -0.419 18976 10282 1 12 . 1 1 136 136 ASP N N 136 120.541 120.541 120.497 0.044 18976 10283 1 12 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.548 -0.068 18976 10284 1 12 . 1 1 136 136 ASP C C 136 177.584 177.584 177.914 -0.330 18976 10285 1 12 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.666 -0.291 18976 10286 1 12 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.098 -1.205 18976 10287 1 12 . 1 1 136 136 ASP H H 136 8.290 8.290 8.205 0.085 18976 10288 1 12 . 1 1 137 137 GLY N N 137 112.490 112.490 109.258 3.232 18976 10289 1 12 . 1 1 137 137 GLY C C 137 172.828 172.828 173.253 -0.425 18976 10290 1 12 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.152 0.318 18976 10291 1 12 . 1 1 137 137 GLY H H 137 10.224 10.224 8.280 1.944 18976 10292 1 12 . 1 1 138 138 GLN N N 138 115.266 115.266 117.346 -2.080 18976 10293 1 12 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.229 -0.360 18976 10294 1 12 . 1 1 138 138 GLN C C 138 174.677 174.677 174.636 0.041 18976 10295 1 12 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.456 -1.670 18976 10296 1 12 . 1 1 138 138 GLN CB C 138 31.743 31.743 34.413 -2.670 18976 10297 1 12 . 1 1 138 138 GLN H H 138 7.992 7.992 8.275 -0.283 18976 10298 1 12 . 1 1 139 139 VAL N N 139 125.667 125.667 121.671 3.996 18976 10299 1 12 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.485 0.627 18976 10300 1 12 . 1 1 139 139 VAL C C 139 175.763 175.763 175.158 0.605 18976 10301 1 12 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.141 0.538 18976 10302 1 12 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.903 0.630 18976 10303 1 12 . 1 1 139 139 VAL H H 139 9.227 9.227 8.386 0.841 18976 10304 1 12 . 1 1 140 140 ASN N N 140 128.431 128.431 125.006 3.425 18976 10305 1 12 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.396 -0.122 18976 10306 1 12 . 1 1 140 140 ASN C C 140 175.079 175.079 176.142 -1.063 18976 10307 1 12 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.739 -0.073 18976 10308 1 12 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.313 -3.086 18976 10309 1 12 . 1 1 140 140 ASN H H 140 9.360 9.360 8.271 1.089 18976 10310 1 12 . 1 1 141 141 TYR N N 141 119.146 119.146 123.742 -4.596 18976 10311 1 12 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.491 -0.105 18976 10312 1 12 . 1 1 141 141 TYR C C 141 176.092 176.092 177.201 -1.109 18976 10313 1 12 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.771 0.287 18976 10314 1 12 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.374 -1.016 18976 10315 1 12 . 1 1 141 141 TYR H H 141 8.451 8.451 8.792 -0.341 18976 10316 1 12 . 1 1 142 142 GLU N N 142 118.431 118.431 117.460 0.971 18976 10317 1 12 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.868 -0.186 18976 10318 1 12 . 1 1 142 142 GLU C C 142 180.226 180.226 178.621 1.605 18976 10319 1 12 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.677 0.406 18976 10320 1 12 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.181 -0.635 18976 10321 1 12 . 1 1 142 142 GLU H H 142 8.097 8.097 7.895 0.202 18976 10322 1 12 . 1 1 143 143 GLU N N 143 120.068 120.068 118.099 1.969 18976 10323 1 12 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.156 -0.166 18976 10324 1 12 . 1 1 143 143 GLU C C 143 179.060 179.060 178.622 0.438 18976 10325 1 12 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.251 0.323 18976 10326 1 12 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.130 0.052 18976 10327 1 12 . 1 1 143 143 GLU H H 143 8.667 8.667 7.923 0.745 18976 10328 1 12 . 1 1 144 144 PHE N N 144 123.392 123.392 123.251 0.141 18976 10329 1 12 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.367 -0.400 18976 10330 1 12 . 1 1 144 144 PHE C C 144 176.982 176.982 177.133 -0.151 18976 10331 1 12 . 1 1 144 144 PHE CA C 144 61.446 61.446 60.336 1.110 18976 10332 1 12 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.290 0.405 18976 10333 1 12 . 1 1 144 144 PHE H H 144 8.731 8.731 8.659 0.072 18976 10334 1 12 . 1 1 145 145 VAL N N 145 119.201 119.201 119.042 0.159 18976 10335 1 12 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.187 0.006 18976 10336 1 12 . 1 1 145 145 VAL C C 145 179.228 179.228 177.520 1.708 18976 10337 1 12 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.322 0.340 18976 10338 1 12 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.285 -0.001 18976 10339 1 12 . 1 1 145 145 VAL H H 145 8.671 8.671 7.814 0.857 18976 10340 1 12 . 1 1 146 146 GLN N N 146 119.252 119.252 118.654 0.598 18976 10341 1 12 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.896 0.020 18976 10342 1 12 . 1 1 146 146 GLN C C 146 177.825 177.825 177.774 0.051 18976 10343 1 12 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.975 -0.408 18976 10344 1 12 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.049 -0.229 18976 10345 1 12 . 1 1 146 146 GLN H H 146 7.767 7.767 7.737 0.030 18976 10346 1 12 . 1 1 147 147 ARG N N 147 118.529 118.529 118.614 -0.085 18976 10347 1 12 . 1 1 147 147 ARG HA H 147 4.172 4.172 3.971 0.201 18976 10348 1 12 . 1 1 147 147 ARG C C 147 178.112 178.112 178.333 -0.221 18976 10349 1 12 . 1 1 147 147 ARG CA C 147 57.509 57.509 59.148 -1.639 18976 10350 1 12 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.910 0.204 18976 10351 1 12 . 1 1 147 147 ARG H H 147 7.628 7.628 7.504 0.124 18976 10352 1 12 . 1 1 148 148 MET N N 148 115.755 115.755 116.295 -0.540 18976 10353 1 12 . 1 1 148 148 MET HA H 148 4.304 4.304 4.239 0.065 18976 10354 1 12 . 1 1 148 148 MET C C 148 177.628 177.628 178.911 -1.283 18976 10355 1 12 . 1 1 148 148 MET CA C 148 55.489 55.489 56.446 -0.957 18976 10356 1 12 . 1 1 148 148 MET CB C 148 31.773 31.773 31.024 0.749 18976 10357 1 12 . 1 1 148 148 MET H H 148 8.003 8.003 7.613 0.390 18976 10358 1 12 . 1 1 149 149 THR N N 149 110.062 110.062 116.022 -5.960 18976 10359 1 12 . 1 1 149 149 THR HA H 149 4.349 4.349 4.026 0.323 18976 10360 1 12 . 1 1 149 149 THR C C 149 174.149 174.149 176.009 -1.860 18976 10361 1 12 . 1 1 149 149 THR CA C 149 61.775 61.775 66.281 -4.506 18976 10362 1 12 . 1 1 149 149 THR CB C 149 69.780 69.780 68.398 1.382 18976 10363 1 12 . 1 1 149 149 THR H H 149 7.682 7.682 8.118 -0.436 18976 10364 1 12 . 1 1 150 150 ALA N N 150 126.503 126.503 122.429 4.074 18976 10365 1 12 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.170 0.160 18976 10366 1 12 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.645 -0.111 18976 10367 1 12 . 1 1 150 150 ALA CB C 150 18.734 18.734 19.112 -0.378 18976 10368 1 12 . 1 1 150 150 ALA H H 150 7.651 7.651 7.163 0.488 18976 10369 1 13 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.937 -0.516 18976 10370 1 13 . 1 1 2 2 LEU C C 2 177.129 177.129 177.166 -0.037 18976 10371 1 13 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.335 -0.213 18976 10372 1 13 . 1 1 2 2 LEU CB C 2 42.453 42.453 42.088 0.365 18976 10373 1 13 . 1 1 2 2 LEU H H 2 8.641 8.641 8.281 0.360 18976 10374 1 13 . 1 1 3 3 MET N N 3 120.143 120.143 118.831 1.312 18976 10375 1 13 . 1 1 3 3 MET HA H 3 4.451 4.451 4.285 0.166 18976 10376 1 13 . 1 1 3 3 MET C C 3 176.835 176.835 177.166 -0.331 18976 10377 1 13 . 1 1 3 3 MET CA C 3 55.160 55.160 57.987 -2.828 18976 10378 1 13 . 1 1 3 3 MET CB C 3 32.584 32.584 31.832 0.752 18976 10379 1 13 . 1 1 3 3 MET H H 3 8.396 8.396 8.149 0.247 18976 10380 1 13 . 1 1 4 4 ALA N N 4 123.344 123.344 119.142 4.202 18976 10381 1 13 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.433 -0.373 18976 10382 1 13 . 1 1 4 4 ALA C C 4 177.922 177.922 177.731 0.191 18976 10383 1 13 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.048 0.502 18976 10384 1 13 . 1 1 4 4 ALA CB C 4 18.556 18.556 19.120 -0.565 18976 10385 1 13 . 1 1 4 4 ALA H H 4 8.396 8.396 7.991 0.405 18976 10386 1 13 . 1 1 5 5 ASP N N 5 116.052 116.052 117.493 -1.441 18976 10387 1 13 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.458 0.051 18976 10388 1 13 . 1 1 5 5 ASP C C 5 176.366 176.366 177.626 -1.260 18976 10389 1 13 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.600 -0.977 18976 10390 1 13 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.146 -0.883 18976 10391 1 13 . 1 1 5 5 ASP H H 5 8.114 8.114 7.604 0.510 18976 10392 1 13 . 1 1 6 6 GLN N N 6 117.717 117.717 119.941 -2.224 18976 10393 1 13 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.282 0.095 18976 10394 1 13 . 1 1 6 6 GLN C C 6 175.842 175.842 175.130 0.712 18976 10395 1 13 . 1 1 6 6 GLN CA C 6 55.311 55.311 54.871 0.440 18976 10396 1 13 . 1 1 6 6 GLN CB C 6 29.590 29.590 26.609 2.981 18976 10397 1 13 . 1 1 6 6 GLN H H 6 7.935 7.935 7.858 0.077 18976 10398 1 13 . 1 1 7 7 LEU N N 7 121.086 121.086 118.379 2.707 18976 10399 1 13 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.699 -0.023 18976 10400 1 13 . 1 1 7 7 LEU C C 7 177.496 177.496 176.893 0.603 18976 10401 1 13 . 1 1 7 7 LEU CA C 7 54.065 54.065 53.705 0.360 18976 10402 1 13 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.715 -0.447 18976 10403 1 13 . 1 1 7 7 LEU H H 7 7.713 7.713 7.391 0.322 18976 10404 1 13 . 1 1 8 8 THR N N 8 112.688 112.688 114.434 -1.746 18976 10405 1 13 . 1 1 8 8 THR HA H 8 4.475 4.475 4.306 0.169 18976 10406 1 13 . 1 1 8 8 THR C C 8 175.511 175.511 175.433 0.078 18976 10407 1 13 . 1 1 8 8 THR CA C 8 60.256 60.256 61.083 -0.827 18976 10408 1 13 . 1 1 8 8 THR CB C 8 71.019 71.019 70.100 0.919 18976 10409 1 13 . 1 1 8 8 THR H H 8 8.800 8.800 8.292 0.508 18976 10410 1 13 . 1 1 9 9 GLU N N 9 120.380 120.380 119.476 0.904 18976 10411 1 13 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.066 -0.086 18976 10412 1 13 . 1 1 9 9 GLU C C 9 179.492 179.492 178.572 0.920 18976 10413 1 13 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.172 0.754 18976 10414 1 13 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.472 -0.547 18976 10415 1 13 . 1 1 9 9 GLU H H 9 9.040 9.040 8.850 0.190 18976 10416 1 13 . 1 1 10 10 GLU N N 10 119.361 119.361 119.673 -0.312 18976 10417 1 13 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.055 0.019 18976 10418 1 13 . 1 1 10 10 GLU C C 10 179.185 179.185 178.902 0.283 18976 10419 1 13 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.017 0.750 18976 10420 1 13 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.377 -0.581 18976 10421 1 13 . 1 1 10 10 GLU H H 10 8.729 8.729 7.928 0.801 18976 10422 1 13 . 1 1 11 11 GLN N N 11 120.302 120.302 116.844 3.458 18976 10423 1 13 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.545 -0.677 18976 10424 1 13 . 1 1 11 11 GLN C C 11 178.318 178.318 178.669 -0.351 18976 10425 1 13 . 1 1 11 11 GLN CA C 11 58.384 58.384 57.656 0.728 18976 10426 1 13 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.738 -0.852 18976 10427 1 13 . 1 1 11 11 GLN H H 11 7.747 7.747 7.655 0.092 18976 10428 1 13 . 1 1 12 12 ILE N N 12 119.533 119.533 120.675 -1.142 18976 10429 1 13 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.866 -0.148 18976 10430 1 13 . 1 1 12 12 ILE C C 12 177.731 177.731 177.900 -0.169 18976 10431 1 13 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.412 1.547 18976 10432 1 13 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.012 0.499 18976 10433 1 13 . 1 1 12 12 ILE H H 12 8.456 8.456 8.253 0.203 18976 10434 1 13 . 1 1 13 13 ALA N N 13 121.161 121.161 122.097 -0.936 18976 10435 1 13 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.982 0.157 18976 10436 1 13 . 1 1 13 13 ALA C C 13 181.019 181.019 179.730 1.289 18976 10437 1 13 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.472 -0.349 18976 10438 1 13 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.015 -0.510 18976 10439 1 13 . 1 1 13 13 ALA H H 13 8.018 8.018 7.958 0.060 18976 10440 1 13 . 1 1 14 14 GLU N N 14 119.619 119.619 119.026 0.593 18976 10441 1 13 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.150 0.014 18976 10442 1 13 . 1 1 14 14 GLU C C 14 180.534 180.534 179.260 1.274 18976 10443 1 13 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.875 0.249 18976 10444 1 13 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.544 -0.691 18976 10445 1 13 . 1 1 14 14 GLU H H 14 7.792 7.792 7.879 -0.087 18976 10446 1 13 . 1 1 15 15 PHE N N 15 120.089 120.089 119.932 0.157 18976 10447 1 13 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.541 0.523 18976 10448 1 13 . 1 1 15 15 PHE C C 15 178.700 178.700 178.455 0.245 18976 10449 1 13 . 1 1 15 15 PHE CA C 15 58.857 58.857 62.248 -3.391 18976 10450 1 13 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.836 -1.360 18976 10451 1 13 . 1 1 15 15 PHE H H 15 8.587 8.587 7.848 0.739 18976 10452 1 13 . 1 1 16 16 LYS N N 16 123.715 123.715 119.466 4.249 18976 10453 1 13 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.140 -0.095 18976 10454 1 13 . 1 1 16 16 LYS C C 16 179.327 179.327 179.391 -0.064 18976 10455 1 13 . 1 1 16 16 LYS CA C 16 59.870 59.870 60.181 -0.311 18976 10456 1 13 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.963 -0.390 18976 10457 1 13 . 1 1 16 16 LYS H H 16 9.256 9.256 9.070 0.186 18976 10458 1 13 . 1 1 17 17 GLU N N 17 120.262 120.262 118.868 1.394 18976 10459 1 13 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.120 0.036 18976 10460 1 13 . 1 1 17 17 GLU C C 17 179.456 179.456 179.106 0.350 18976 10461 1 13 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.199 -0.192 18976 10462 1 13 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.314 -0.505 18976 10463 1 13 . 1 1 17 17 GLU H H 17 7.774 7.774 7.719 0.055 18976 10464 1 13 . 1 1 18 18 ALA N N 18 122.590 122.590 122.091 0.499 18976 10465 1 13 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.208 0.107 18976 10466 1 13 . 1 1 18 18 ALA C C 18 179.060 179.060 179.872 -0.812 18976 10467 1 13 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.119 -0.290 18976 10468 1 13 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.577 -0.779 18976 10469 1 13 . 1 1 18 18 ALA H H 18 8.001 8.001 8.074 -0.073 18976 10470 1 13 . 1 1 19 19 PHE N N 19 119.363 119.363 118.829 0.534 18976 10471 1 13 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.635 -0.401 18976 10472 1 13 . 1 1 19 19 PHE C C 19 177.290 177.290 177.376 -0.086 18976 10473 1 13 . 1 1 19 19 PHE CA C 19 61.757 61.757 61.181 0.576 18976 10474 1 13 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.977 0.161 18976 10475 1 13 . 1 1 19 19 PHE H H 19 8.859 8.859 8.682 0.177 18976 10476 1 13 . 1 1 20 20 SER N N 20 112.556 112.556 114.171 -1.615 18976 10477 1 13 . 1 1 20 20 SER HA H 20 4.142 4.142 4.215 -0.073 18976 10478 1 13 . 1 1 20 20 SER C C 20 174.955 174.955 175.363 -0.408 18976 10479 1 13 . 1 1 20 20 SER CA C 20 61.007 61.007 62.164 -1.157 18976 10480 1 13 . 1 1 20 20 SER CB C 20 62.960 62.960 63.133 -0.173 18976 10481 1 13 . 1 1 20 20 SER H H 20 7.934 7.934 8.042 -0.108 18976 10482 1 13 . 1 1 21 21 LEU N N 21 120.816 120.816 119.663 1.153 18976 10483 1 13 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.016 -0.000 18976 10484 1 13 . 1 1 21 21 LEU C C 21 178.010 178.010 178.208 -0.198 18976 10485 1 13 . 1 1 21 21 LEU CA C 21 56.795 56.795 56.721 0.074 18976 10486 1 13 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.397 -0.265 18976 10487 1 13 . 1 1 21 21 LEU H H 21 7.434 7.434 7.335 0.099 18976 10488 1 13 . 1 1 22 22 PHE N N 22 115.049 115.049 114.301 0.748 18976 10489 1 13 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.226 0.018 18976 10490 1 13 . 1 1 22 22 PHE C C 22 176.762 176.762 177.408 -0.646 18976 10491 1 13 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.306 -1.286 18976 10492 1 13 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.327 1.403 18976 10493 1 13 . 1 1 22 22 PHE H H 22 7.326 7.326 7.667 -0.341 18976 10494 1 13 . 1 1 23 23 ASP N N 23 117.496 117.496 118.655 -1.159 18976 10495 1 13 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.917 -0.366 18976 10496 1 13 . 1 1 23 23 ASP C C 23 177.167 177.167 176.852 0.315 18976 10497 1 13 . 1 1 23 23 ASP CA C 23 52.041 52.041 52.706 -0.665 18976 10498 1 13 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.506 -0.908 18976 10499 1 13 . 1 1 23 23 ASP H H 23 7.851 7.851 8.071 -0.220 18976 10500 1 13 . 1 1 24 24 LYS N N 24 124.470 124.470 123.903 0.567 18976 10501 1 13 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.910 0.074 18976 10502 1 13 . 1 1 24 24 LYS C C 24 178.127 178.127 177.782 0.345 18976 10503 1 13 . 1 1 24 24 LYS CA C 24 58.158 58.158 59.075 -0.917 18976 10504 1 13 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.441 -0.058 18976 10505 1 13 . 1 1 24 24 LYS H H 24 7.687 7.687 7.707 -0.020 18976 10506 1 13 . 1 1 25 25 ASP N N 25 113.822 113.822 114.812 -0.990 18976 10507 1 13 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.468 0.138 18976 10508 1 13 . 1 1 25 25 ASP C C 25 177.687 177.687 177.438 0.249 18976 10509 1 13 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.032 -1.573 18976 10510 1 13 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.144 -0.953 18976 10511 1 13 . 1 1 25 25 ASP H H 25 8.067 8.067 7.876 0.191 18976 10512 1 13 . 1 1 26 26 GLY N N 26 109.208 109.208 109.047 0.161 18976 10513 1 13 . 1 1 26 26 GLY C C 26 175.132 175.132 175.121 0.011 18976 10514 1 13 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.065 0.810 18976 10515 1 13 . 1 1 26 26 GLY H H 26 7.698 7.698 7.639 0.059 18976 10516 1 13 . 1 1 27 27 ASP N N 27 120.603 120.603 120.045 0.558 18976 10517 1 13 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.656 -0.133 18976 10518 1 13 . 1 1 27 27 ASP C C 27 177.452 177.452 177.804 -0.352 18976 10519 1 13 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.361 0.132 18976 10520 1 13 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.376 -1.128 18976 10521 1 13 . 1 1 27 27 ASP H H 27 8.397 8.397 8.420 -0.023 18976 10522 1 13 . 1 1 28 28 GLY N N 28 113.187 113.187 109.708 3.479 18976 10523 1 13 . 1 1 28 28 GLY C C 28 173.679 173.679 173.788 -0.109 18976 10524 1 13 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.472 -0.291 18976 10525 1 13 . 1 1 28 28 GLY H H 28 10.648 10.648 8.520 2.128 18976 10526 1 13 . 1 1 29 29 THR N N 29 112.865 112.865 111.126 1.739 18976 10527 1 13 . 1 1 29 29 THR HA H 29 5.310 5.310 5.430 -0.120 18976 10528 1 13 . 1 1 29 29 THR C C 29 172.872 172.872 173.404 -0.532 18976 10529 1 13 . 1 1 29 29 THR CA C 29 59.764 59.764 60.877 -1.113 18976 10530 1 13 . 1 1 29 29 THR CB C 29 72.319 72.319 71.647 0.672 18976 10531 1 13 . 1 1 29 29 THR H H 29 8.144 8.144 8.480 -0.336 18976 10532 1 13 . 1 1 30 30 ILE N N 30 127.035 127.035 126.969 0.066 18976 10533 1 13 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.500 0.480 18976 10534 1 13 . 1 1 30 30 ILE C C 30 176.072 176.072 176.060 0.012 18976 10535 1 13 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.394 -0.250 18976 10536 1 13 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.671 1.631 18976 10537 1 13 . 1 1 30 30 ILE H H 30 9.821 9.821 8.890 0.931 18976 10538 1 13 . 1 1 31 31 THR N N 31 116.509 116.509 123.933 -7.424 18976 10539 1 13 . 1 1 31 31 THR HA H 31 4.800 4.800 4.498 0.302 18976 10540 1 13 . 1 1 31 31 THR C C 31 176.542 176.542 176.548 -0.006 18976 10541 1 13 . 1 1 31 31 THR CA C 31 59.396 59.396 62.640 -3.244 18976 10542 1 13 . 1 1 31 31 THR CB C 31 72.162 72.162 69.986 2.176 18976 10543 1 13 . 1 1 31 31 THR H H 31 8.469 8.469 8.828 -0.359 18976 10544 1 13 . 1 1 32 32 THR N N 32 112.790 112.790 116.214 -3.424 18976 10545 1 13 . 1 1 32 32 THR HA H 32 3.803 3.803 3.807 -0.004 18976 10546 1 13 . 1 1 32 32 THR C C 32 177.188 177.188 176.314 0.874 18976 10547 1 13 . 1 1 32 32 THR CA C 32 66.253 66.253 67.165 -0.912 18976 10548 1 13 . 1 1 32 32 THR CB C 32 67.459 67.459 68.700 -1.240 18976 10549 1 13 . 1 1 32 32 THR H H 32 9.128 9.128 8.939 0.189 18976 10550 1 13 . 1 1 33 33 LYS N N 33 120.844 120.844 122.287 -1.443 18976 10551 1 13 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.121 0.027 18976 10552 1 13 . 1 1 33 33 LYS C C 33 179.880 179.880 178.746 1.134 18976 10553 1 13 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.373 -0.434 18976 10554 1 13 . 1 1 33 33 LYS CB C 33 32.235 32.235 31.719 0.516 18976 10555 1 13 . 1 1 33 33 LYS H H 33 7.695 7.695 8.364 -0.669 18976 10556 1 13 . 1 1 34 34 GLU N N 34 121.463 121.463 120.798 0.665 18976 10557 1 13 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.069 -0.001 18976 10558 1 13 . 1 1 34 34 GLU C C 34 179.140 179.140 179.073 0.067 18976 10559 1 13 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.190 -0.051 18976 10560 1 13 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.333 0.212 18976 10561 1 13 . 1 1 34 34 GLU H H 34 7.687 7.687 7.532 0.155 18976 10562 1 13 . 1 1 35 35 LEU N N 35 120.583 120.583 120.715 -0.132 18976 10563 1 13 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.019 0.104 18976 10564 1 13 . 1 1 35 35 LEU C C 35 178.934 178.934 179.108 -0.174 18976 10565 1 13 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.014 -0.187 18976 10566 1 13 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.695 0.685 18976 10567 1 13 . 1 1 35 35 LEU H H 35 8.745 8.745 8.112 0.633 18976 10568 1 13 . 1 1 36 36 GLY N N 36 128.127 128.127 105.257 22.870 18976 10569 1 13 . 1 1 36 36 GLY C C 36 175.177 175.177 176.384 -1.207 18976 10570 1 13 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.456 0.547 18976 10571 1 13 . 1 1 36 36 GLY H H 36 8.670 8.670 8.353 0.317 18976 10572 1 13 . 1 1 37 37 THR N N 37 117.925 117.925 118.415 -0.490 18976 10573 1 13 . 1 1 37 37 THR HA H 37 3.938 3.938 4.130 -0.192 18976 10574 1 13 . 1 1 37 37 THR C C 37 177.137 177.137 176.216 0.921 18976 10575 1 13 . 1 1 37 37 THR CA C 37 66.648 66.648 66.510 0.138 18976 10576 1 13 . 1 1 37 37 THR CB C 37 68.383 68.383 68.851 -0.468 18976 10577 1 13 . 1 1 37 37 THR H H 37 7.930 7.930 7.919 0.011 18976 10578 1 13 . 1 1 38 38 VAL N N 38 122.046 122.046 121.823 0.223 18976 10579 1 13 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.709 -0.186 18976 10580 1 13 . 1 1 38 38 VAL C C 38 179.243 179.243 178.070 1.173 18976 10581 1 13 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.787 -0.825 18976 10582 1 13 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.543 -0.473 18976 10583 1 13 . 1 1 38 38 VAL H H 38 7.643 7.643 7.600 0.043 18976 10584 1 13 . 1 1 39 39 MET N N 39 118.442 118.442 116.796 1.646 18976 10585 1 13 . 1 1 39 39 MET HA H 39 4.133 4.133 4.212 -0.079 18976 10586 1 13 . 1 1 39 39 MET C C 39 179.125 179.125 177.919 1.206 18976 10587 1 13 . 1 1 39 39 MET CA C 39 58.886 58.886 58.826 0.060 18976 10588 1 13 . 1 1 39 39 MET CB C 39 31.211 31.211 32.109 -0.898 18976 10589 1 13 . 1 1 39 39 MET H H 39 8.497 8.497 8.112 0.385 18976 10590 1 13 . 1 1 40 40 ARG N N 40 118.929 118.929 120.544 -1.615 18976 10591 1 13 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.395 0.438 18976 10592 1 13 . 1 1 40 40 ARG C C 40 181.224 181.224 178.873 2.351 18976 10593 1 13 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.222 -0.336 18976 10594 1 13 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.080 -1.245 18976 10595 1 13 . 1 1 40 40 ARG H H 40 8.536 8.536 7.887 0.649 18976 10596 1 13 . 1 1 41 41 SER N N 41 118.832 118.832 116.678 2.154 18976 10597 1 13 . 1 1 41 41 SER HA H 41 4.425 4.425 4.298 0.127 18976 10598 1 13 . 1 1 41 41 SER C C 41 174.839 174.839 175.275 -0.436 18976 10599 1 13 . 1 1 41 41 SER CA C 41 61.249 61.249 61.135 0.114 18976 10600 1 13 . 1 1 41 41 SER CB C 41 62.464 62.464 62.918 -0.454 18976 10601 1 13 . 1 1 41 41 SER H H 41 7.925 7.925 7.625 0.300 18976 10602 1 13 . 1 1 42 42 LEU N N 42 120.676 120.676 119.850 0.826 18976 10603 1 13 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.437 0.080 18976 10604 1 13 . 1 1 42 42 LEU C C 42 177.540 177.540 177.268 0.272 18976 10605 1 13 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.749 -0.517 18976 10606 1 13 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.648 0.022 18976 10607 1 13 . 1 1 42 42 LEU H H 42 7.395 7.395 7.448 -0.053 18976 10608 1 13 . 1 1 43 43 GLY N N 43 106.840 106.840 106.349 0.491 18976 10609 1 13 . 1 1 43 43 GLY C C 43 174.384 174.384 174.792 -0.408 18976 10610 1 13 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.582 0.726 18976 10611 1 13 . 1 1 43 43 GLY H H 43 7.885 7.885 7.526 0.359 18976 10612 1 13 . 1 1 44 44 GLN N N 44 118.414 118.414 120.762 -2.348 18976 10613 1 13 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.434 0.068 18976 10614 1 13 . 1 1 44 44 GLN C C 44 174.134 174.134 175.042 -0.908 18976 10615 1 13 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.891 -0.707 18976 10616 1 13 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.919 0.355 18976 10617 1 13 . 1 1 44 44 GLN H H 44 7.805 7.805 8.076 -0.271 18976 10618 1 13 . 1 1 45 45 ASN N N 45 116.265 116.265 119.469 -3.204 18976 10619 1 13 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.030 0.171 18976 10620 1 13 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.348 0.609 18976 10621 1 13 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.461 -0.552 18976 10622 1 13 . 1 1 45 45 ASN H H 45 8.733 8.733 8.606 0.127 18976 10623 1 13 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.661 0.126 18976 10624 1 13 . 1 1 46 46 PRO C C 46 177.745 177.745 176.285 1.460 18976 10625 1 13 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.453 -0.348 18976 10626 1 13 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.052 -1.349 18976 10627 1 13 . 1 1 47 47 THR N N 47 112.958 112.958 114.154 -1.196 18976 10628 1 13 . 1 1 47 47 THR HA H 47 4.451 4.451 4.476 -0.025 18976 10629 1 13 . 1 1 47 47 THR C C 47 175.159 175.159 175.728 -0.569 18976 10630 1 13 . 1 1 47 47 THR CA C 47 60.078 60.078 59.998 0.080 18976 10631 1 13 . 1 1 47 47 THR CB C 47 71.001 71.001 70.121 0.880 18976 10632 1 13 . 1 1 47 47 THR H H 47 8.767 8.767 8.103 0.664 18976 10633 1 13 . 1 1 48 48 GLU N N 48 120.607 120.607 126.732 -6.125 18976 10634 1 13 . 1 1 48 48 GLU HA H 48 4.006 4.006 4.030 -0.024 18976 10635 1 13 . 1 1 48 48 GLU C C 48 178.949 178.949 177.497 1.452 18976 10636 1 13 . 1 1 48 48 GLU CA C 48 59.741 59.741 58.824 0.917 18976 10637 1 13 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.033 -0.341 18976 10638 1 13 . 1 1 48 48 GLU H H 48 8.824 8.824 9.055 -0.231 18976 10639 1 13 . 1 1 49 49 ALA N N 49 120.678 120.678 122.261 -1.583 18976 10640 1 13 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.072 0.047 18976 10641 1 13 . 1 1 49 49 ALA C C 49 180.226 180.226 179.392 0.834 18976 10642 1 13 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.716 -0.000 18976 10643 1 13 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.156 -0.283 18976 10644 1 13 . 1 1 49 49 ALA H H 49 8.279 8.279 7.664 0.615 18976 10645 1 13 . 1 1 50 50 GLU N N 50 118.703 118.703 119.755 -1.052 18976 10646 1 13 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.100 -0.048 18976 10647 1 13 . 1 1 50 50 GLU C C 50 180.182 180.182 178.885 1.297 18976 10648 1 13 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.253 -0.396 18976 10649 1 13 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.686 -0.318 18976 10650 1 13 . 1 1 50 50 GLU H H 50 7.712 7.712 7.652 0.060 18976 10651 1 13 . 1 1 51 51 LEU N N 51 120.420 120.420 118.049 2.371 18976 10652 1 13 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.111 -0.017 18976 10653 1 13 . 1 1 51 51 LEU C C 51 178.494 178.494 179.328 -0.834 18976 10654 1 13 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.661 1.018 18976 10655 1 13 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.467 1.589 18976 10656 1 13 . 1 1 51 51 LEU H H 51 8.192 8.192 7.504 0.688 18976 10657 1 13 . 1 1 52 52 GLN N N 52 118.200 118.200 118.714 -0.514 18976 10658 1 13 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.986 -0.148 18976 10659 1 13 . 1 1 52 52 GLN C C 52 178.518 178.518 177.592 0.926 18976 10660 1 13 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.652 -0.455 18976 10661 1 13 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.041 -0.137 18976 10662 1 13 . 1 1 52 52 GLN H H 52 8.212 8.212 8.277 -0.065 18976 10663 1 13 . 1 1 53 53 ASP N N 53 119.922 119.922 120.137 -0.215 18976 10664 1 13 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.456 -0.026 18976 10665 1 13 . 1 1 53 53 ASP C C 53 178.635 178.635 178.254 0.381 18976 10666 1 13 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.244 0.018 18976 10667 1 13 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.705 -0.743 18976 10668 1 13 . 1 1 53 53 ASP H H 53 8.108 8.108 7.512 0.596 18976 10669 1 13 . 1 1 54 54 MET N N 54 119.290 119.290 117.064 2.226 18976 10670 1 13 . 1 1 54 54 MET HA H 54 4.044 4.044 4.145 -0.101 18976 10671 1 13 . 1 1 54 54 MET C C 54 178.876 178.876 177.693 1.183 18976 10672 1 13 . 1 1 54 54 MET CA C 54 59.108 59.108 58.790 0.318 18976 10673 1 13 . 1 1 54 54 MET CB C 54 32.930 32.930 32.584 0.346 18976 10674 1 13 . 1 1 54 54 MET H H 54 7.865 7.865 7.621 0.244 18976 10675 1 13 . 1 1 55 55 ILE N N 55 118.056 118.056 117.825 0.231 18976 10676 1 13 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.730 -0.215 18976 10677 1 13 . 1 1 55 55 ILE C C 55 177.760 177.760 177.568 0.192 18976 10678 1 13 . 1 1 55 55 ILE CA C 55 64.480 64.480 63.762 0.718 18976 10679 1 13 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.510 -1.530 18976 10680 1 13 . 1 1 55 55 ILE H H 55 7.710 7.710 7.324 0.386 18976 10681 1 13 . 1 1 56 56 ASN N N 56 117.688 117.688 118.733 -1.045 18976 10682 1 13 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.448 -0.056 18976 10683 1 13 . 1 1 56 56 ASN C C 56 177.393 177.393 177.475 -0.082 18976 10684 1 13 . 1 1 56 56 ASN CA C 56 55.586 55.586 56.535 -0.950 18976 10685 1 13 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.537 -0.882 18976 10686 1 13 . 1 1 56 56 ASN H H 56 8.606 8.606 8.348 0.258 18976 10687 1 13 . 1 1 57 57 GLU N N 57 116.316 116.316 118.139 -1.823 18976 10688 1 13 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.222 -0.179 18976 10689 1 13 . 1 1 57 57 GLU C C 57 177.569 177.569 177.788 -0.219 18976 10690 1 13 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.656 -0.023 18976 10691 1 13 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.792 0.307 18976 10692 1 13 . 1 1 57 57 GLU H H 57 7.580 7.580 7.910 -0.330 18976 10693 1 13 . 1 1 58 58 VAL N N 58 108.390 108.390 118.123 -9.733 18976 10694 1 13 . 1 1 58 58 VAL HA H 58 4.482 4.482 3.995 0.487 18976 10695 1 13 . 1 1 58 58 VAL C C 58 175.749 175.749 175.827 -0.078 18976 10696 1 13 . 1 1 58 58 VAL CA C 58 60.417 60.417 63.386 -2.969 18976 10697 1 13 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.540 -0.174 18976 10698 1 13 . 1 1 58 58 VAL H H 58 7.219 7.219 7.201 0.018 18976 10699 1 13 . 1 1 59 59 ASP N N 59 121.728 121.728 120.585 1.143 18976 10700 1 13 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.773 -0.131 18976 10701 1 13 . 1 1 59 59 ASP C C 59 176.219 176.219 175.976 0.243 18976 10702 1 13 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.714 -1.246 18976 10703 1 13 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.028 -1.163 18976 10704 1 13 . 1 1 59 59 ASP H H 59 7.674 7.674 7.978 -0.304 18976 10705 1 13 . 1 1 60 60 ALA N N 60 109.214 109.214 129.786 -20.572 18976 10706 1 13 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.085 0.131 18976 10707 1 13 . 1 1 60 60 ALA C C 60 178.626 178.626 178.528 0.098 18976 10708 1 13 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.377 -0.392 18976 10709 1 13 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.416 -0.270 18976 10710 1 13 . 1 1 60 60 ALA H H 60 8.481 8.481 8.311 0.170 18976 10711 1 13 . 1 1 61 61 ASP N N 61 113.667 113.667 117.429 -3.762 18976 10712 1 13 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.489 0.134 18976 10713 1 13 . 1 1 61 61 ASP C C 61 177.848 177.848 177.913 -0.065 18976 10714 1 13 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.283 -1.872 18976 10715 1 13 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.179 -1.628 18976 10716 1 13 . 1 1 61 61 ASP H H 61 8.158 8.158 7.990 0.168 18976 10717 1 13 . 1 1 62 62 GLY N N 62 108.314 108.314 109.241 -0.927 18976 10718 1 13 . 1 1 62 62 GLY C C 62 174.933 174.933 175.141 -0.208 18976 10719 1 13 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.409 1.533 18976 10720 1 13 . 1 1 62 62 GLY H H 62 7.585 7.585 8.339 -0.754 18976 10721 1 13 . 1 1 63 63 ASN N N 63 118.384 118.384 118.292 0.092 18976 10722 1 13 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.718 -0.061 18976 10723 1 13 . 1 1 63 63 ASN C C 63 176.835 176.835 176.538 0.297 18976 10724 1 13 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.513 -0.290 18976 10725 1 13 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.133 -1.767 18976 10726 1 13 . 1 1 63 63 ASN H H 63 8.086 8.086 8.643 -0.557 18976 10727 1 13 . 1 1 64 64 GLY N N 64 113.412 113.412 109.803 3.609 18976 10728 1 13 . 1 1 64 64 GLY C C 64 173.254 173.254 173.548 -0.294 18976 10729 1 13 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.322 0.075 18976 10730 1 13 . 1 1 64 64 GLY H H 64 10.618 10.618 8.139 2.479 18976 10731 1 13 . 1 1 65 65 THR N N 65 108.877 108.877 113.380 -4.503 18976 10732 1 13 . 1 1 65 65 THR HA H 65 4.766 4.766 4.633 0.133 18976 10733 1 13 . 1 1 65 65 THR C C 65 173.195 173.195 173.277 -0.082 18976 10734 1 13 . 1 1 65 65 THR CA C 65 59.301 59.301 61.169 -1.867 18976 10735 1 13 . 1 1 65 65 THR CB C 65 71.695 71.695 72.762 -1.067 18976 10736 1 13 . 1 1 65 65 THR H H 65 7.684 7.684 8.019 -0.335 18976 10737 1 13 . 1 1 66 66 ILE N N 66 123.673 123.673 124.350 -0.677 18976 10738 1 13 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.422 0.768 18976 10739 1 13 . 1 1 66 66 ILE C C 66 175.529 175.529 175.354 0.175 18976 10740 1 13 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.255 -1.571 18976 10741 1 13 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.722 0.695 18976 10742 1 13 . 1 1 66 66 ILE H H 66 8.912 8.912 8.305 0.607 18976 10743 1 13 . 1 1 67 67 ASP N N 67 128.135 128.135 127.868 0.267 18976 10744 1 13 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.118 0.266 18976 10745 1 13 . 1 1 67 67 ASP C C 67 176.322 176.322 176.817 -0.495 18976 10746 1 13 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.871 -2.028 18976 10747 1 13 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.541 -0.754 18976 10748 1 13 . 1 1 67 67 ASP H H 67 8.824 8.824 8.673 0.151 18976 10749 1 13 . 1 1 68 68 PHE N N 68 118.627 118.627 123.360 -4.733 18976 10750 1 13 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.079 -0.055 18976 10751 1 13 . 1 1 68 68 PHE CA C 68 63.170 63.170 63.234 -0.064 18976 10752 1 13 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.164 -1.563 18976 10753 1 13 . 1 1 68 68 PHE H H 68 8.943 8.943 9.170 -0.227 18976 10754 1 13 . 1 1 69 69 PRO HA H 69 3.876 3.876 4.098 -0.222 18976 10755 1 13 . 1 1 69 69 PRO C C 69 180.037 180.037 178.658 1.379 18976 10756 1 13 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.675 0.717 18976 10757 1 13 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.059 -0.685 18976 10758 1 13 . 1 1 70 70 GLU N N 70 117.615 117.615 118.332 -0.717 18976 10759 1 13 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.108 -0.000 18976 10760 1 13 . 1 1 70 70 GLU C C 70 178.773 178.773 178.686 0.087 18976 10761 1 13 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.553 0.013 18976 10762 1 13 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.265 -0.239 18976 10763 1 13 . 1 1 70 70 GLU H H 70 7.969 7.969 7.767 0.202 18976 10764 1 13 . 1 1 71 71 PHE N N 71 123.460 123.460 121.945 1.515 18976 10765 1 13 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.130 -0.156 18976 10766 1 13 . 1 1 71 71 PHE C C 71 177.041 177.041 176.597 0.444 18976 10767 1 13 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.226 -0.199 18976 10768 1 13 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.162 0.545 18976 10769 1 13 . 1 1 71 71 PHE H H 71 8.861 8.861 8.197 0.664 18976 10770 1 13 . 1 1 72 72 LEU N N 72 118.749 118.749 119.574 -0.825 18976 10771 1 13 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.770 -0.402 18976 10772 1 13 . 1 1 72 72 LEU C C 72 178.949 178.949 178.926 0.023 18976 10773 1 13 . 1 1 72 72 LEU CA C 72 57.596 57.596 58.194 -0.598 18976 10774 1 13 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.781 -0.038 18976 10775 1 13 . 1 1 72 72 LEU H H 72 8.411 8.411 7.483 0.928 18976 10776 1 13 . 1 1 73 73 THR N N 73 115.213 115.213 113.359 1.854 18976 10777 1 13 . 1 1 73 73 THR HA H 73 3.753 3.753 3.947 -0.194 18976 10778 1 13 . 1 1 73 73 THR C C 73 175.955 175.955 176.355 -0.400 18976 10779 1 13 . 1 1 73 73 THR CA C 73 66.313 66.313 65.465 0.848 18976 10780 1 13 . 1 1 73 73 THR CB C 73 68.075 68.075 68.564 -0.489 18976 10781 1 13 . 1 1 73 73 THR H H 73 7.522 7.522 7.593 -0.071 18976 10782 1 13 . 1 1 74 74 MET N N 74 121.455 121.455 122.209 -0.754 18976 10783 1 13 . 1 1 74 74 MET HA H 74 3.773 3.773 4.181 -0.408 18976 10784 1 13 . 1 1 74 74 MET C C 74 178.098 178.098 178.106 -0.008 18976 10785 1 13 . 1 1 74 74 MET CA C 74 58.603 58.603 58.074 0.529 18976 10786 1 13 . 1 1 74 74 MET CB C 74 32.905 32.905 32.244 0.661 18976 10787 1 13 . 1 1 74 74 MET H H 74 7.783 7.783 7.771 0.012 18976 10788 1 13 . 1 1 75 75 MET N N 75 116.557 116.557 114.964 1.593 18976 10789 1 13 . 1 1 75 75 MET HA H 75 3.998 3.998 4.005 -0.007 18976 10790 1 13 . 1 1 75 75 MET C C 75 178.700 178.700 178.322 0.378 18976 10791 1 13 . 1 1 75 75 MET CA C 75 55.472 55.472 58.493 -3.021 18976 10792 1 13 . 1 1 75 75 MET CB C 75 30.693 30.693 31.743 -1.050 18976 10793 1 13 . 1 1 75 75 MET H H 75 8.077 8.077 7.956 0.121 18976 10794 1 13 . 1 1 76 76 ALA N N 76 122.410 122.410 122.843 -0.433 18976 10795 1 13 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.020 0.069 18976 10796 1 13 . 1 1 76 76 ALA C C 76 179.683 179.683 178.988 0.695 18976 10797 1 13 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.598 -0.222 18976 10798 1 13 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.963 -0.184 18976 10799 1 13 . 1 1 76 76 ALA H H 76 8.303 8.303 7.822 0.481 18976 10800 1 13 . 1 1 77 77 ARG N N 77 116.451 116.451 116.299 0.152 18976 10801 1 13 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.047 0.055 18976 10802 1 13 . 1 1 77 77 ARG C C 77 177.701 177.701 177.581 0.120 18976 10803 1 13 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.569 -0.527 18976 10804 1 13 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.116 -0.109 18976 10805 1 13 . 1 1 77 77 ARG H H 77 7.622 7.622 7.757 -0.135 18976 10806 1 13 . 1 1 78 78 LYS N N 78 118.021 118.021 116.539 1.482 18976 10807 1 13 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.344 -0.105 18976 10808 1 13 . 1 1 78 78 LYS C C 78 177.525 177.525 177.739 -0.214 18976 10809 1 13 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.728 -1.007 18976 10810 1 13 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.834 -0.621 18976 10811 1 13 . 1 1 78 78 LYS H H 78 7.577 7.577 7.505 0.072 18976 10812 1 13 . 1 1 79 79 MET N N 79 118.929 118.929 117.342 1.587 18976 10813 1 13 . 1 1 79 79 MET HA H 79 4.351 4.351 4.395 -0.044 18976 10814 1 13 . 1 1 79 79 MET C C 79 176.322 176.322 177.548 -1.226 18976 10815 1 13 . 1 1 79 79 MET CA C 79 56.345 56.345 55.840 0.505 18976 10816 1 13 . 1 1 79 79 MET CB C 79 32.946 32.946 31.156 1.790 18976 10817 1 13 . 1 1 79 79 MET H H 79 7.772 7.772 7.297 0.475 18976 10818 1 13 . 1 1 80 80 LYS N N 80 120.686 120.686 120.745 -0.059 18976 10819 1 13 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.160 0.167 18976 10820 1 13 . 1 1 80 80 LYS C C 80 176.395 176.395 176.926 -0.531 18976 10821 1 13 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.825 -1.681 18976 10822 1 13 . 1 1 80 80 LYS CB C 80 32.808 32.808 32.922 -0.114 18976 10823 1 13 . 1 1 80 80 LYS H H 80 7.955 7.955 8.082 -0.127 18976 10824 1 13 . 1 1 81 81 ASP N N 81 121.721 121.721 119.675 2.046 18976 10825 1 13 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.650 0.039 18976 10826 1 13 . 1 1 81 81 ASP C C 81 176.644 176.644 176.548 0.096 18976 10827 1 13 . 1 1 81 81 ASP CA C 81 54.286 54.286 55.403 -1.117 18976 10828 1 13 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.788 -0.995 18976 10829 1 13 . 1 1 81 81 ASP H H 81 8.341 8.341 7.684 0.657 18976 10830 1 13 . 1 1 82 82 THR N N 82 114.594 114.594 109.791 4.803 18976 10831 1 13 . 1 1 82 82 THR HA H 82 4.323 4.323 3.981 0.342 18976 10832 1 13 . 1 1 82 82 THR C C 82 174.584 174.584 174.751 -0.167 18976 10833 1 13 . 1 1 82 82 THR CA C 82 61.955 61.955 63.763 -1.808 18976 10834 1 13 . 1 1 82 82 THR CB C 82 69.586 69.586 67.880 1.706 18976 10835 1 13 . 1 1 82 82 THR H H 82 8.123 8.123 8.811 -0.688 18976 10836 1 13 . 1 1 83 83 ASP N N 83 123.126 123.126 119.909 3.217 18976 10837 1 13 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.815 -0.116 18976 10838 1 13 . 1 1 83 83 ASP C C 83 176.674 176.674 177.234 -0.560 18976 10839 1 13 . 1 1 83 83 ASP CA C 83 54.491 54.491 53.955 0.536 18976 10840 1 13 . 1 1 83 83 ASP CB C 83 41.040 41.040 41.328 -0.288 18976 10841 1 13 . 1 1 83 83 ASP H H 83 8.439 8.439 8.343 0.096 18976 10842 1 13 . 1 1 84 84 SER N N 84 116.982 116.982 115.740 1.242 18976 10843 1 13 . 1 1 84 84 SER HA H 84 4.458 4.458 4.075 0.383 18976 10844 1 13 . 1 1 84 84 SER C C 84 175.393 175.393 175.786 -0.393 18976 10845 1 13 . 1 1 84 84 SER CA C 84 58.943 58.943 61.475 -2.532 18976 10846 1 13 . 1 1 84 84 SER CB C 84 63.550 63.550 62.910 0.640 18976 10847 1 13 . 1 1 84 84 SER H H 84 8.418 8.418 8.516 -0.098 18976 10848 1 13 . 1 1 85 85 GLU N N 85 122.632 122.632 121.504 1.128 18976 10849 1 13 . 1 1 85 85 GLU HA H 85 4.211 4.211 3.986 0.225 18976 10850 1 13 . 1 1 85 85 GLU C C 85 177.716 177.716 178.545 -0.829 18976 10851 1 13 . 1 1 85 85 GLU CA C 85 58.539 58.539 58.824 -0.284 18976 10852 1 13 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.919 0.307 18976 10853 1 13 . 1 1 85 85 GLU H H 85 8.504 8.504 8.484 0.020 18976 10854 1 13 . 1 1 86 86 GLU N N 86 119.077 119.077 120.416 -1.339 18976 10855 1 13 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.047 0.014 18976 10856 1 13 . 1 1 86 86 GLU C C 86 178.885 178.885 178.489 0.396 18976 10857 1 13 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.992 0.373 18976 10858 1 13 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.636 -0.571 18976 10859 1 13 . 1 1 86 86 GLU H H 86 8.333 8.333 8.092 0.241 18976 10860 1 13 . 1 1 87 87 GLU N N 87 119.138 119.138 120.449 -1.311 18976 10861 1 13 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.155 -0.009 18976 10862 1 13 . 1 1 87 87 GLU C C 87 179.823 179.823 179.262 0.561 18976 10863 1 13 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.074 -0.164 18976 10864 1 13 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.632 -0.366 18976 10865 1 13 . 1 1 87 87 GLU H H 87 8.130 8.130 7.634 0.496 18976 10866 1 13 . 1 1 88 88 LEU N N 88 122.103 122.103 119.365 2.738 18976 10867 1 13 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.229 0.162 18976 10868 1 13 . 1 1 88 88 LEU C C 88 178.905 178.905 179.264 -0.359 18976 10869 1 13 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.975 -0.259 18976 10870 1 13 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.880 -0.019 18976 10871 1 13 . 1 1 88 88 LEU H H 88 8.152 8.152 8.356 -0.204 18976 10872 1 13 . 1 1 89 89 ARG N N 89 120.092 120.092 119.529 0.563 18976 10873 1 13 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.243 -0.193 18976 10874 1 13 . 1 1 89 89 ARG C C 89 179.507 179.507 178.926 0.581 18976 10875 1 13 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.917 -0.506 18976 10876 1 13 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.890 -0.430 18976 10877 1 13 . 1 1 89 89 ARG H H 89 8.499 8.499 7.967 0.532 18976 10878 1 13 . 1 1 90 90 GLU N N 90 119.315 119.315 119.791 -0.476 18976 10879 1 13 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.146 0.021 18976 10880 1 13 . 1 1 90 90 GLU C C 90 178.068 178.068 178.135 -0.067 18976 10881 1 13 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.833 -0.243 18976 10882 1 13 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.148 -0.218 18976 10883 1 13 . 1 1 90 90 GLU H H 90 8.040 8.040 7.960 0.080 18976 10884 1 13 . 1 1 91 91 ALA N N 91 121.794 121.794 122.355 -0.561 18976 10885 1 13 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.145 0.066 18976 10886 1 13 . 1 1 91 91 ALA C C 91 179.855 179.855 179.708 0.147 18976 10887 1 13 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.072 -0.346 18976 10888 1 13 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.217 -0.647 18976 10889 1 13 . 1 1 91 91 ALA H H 91 7.996 7.996 7.982 0.014 18976 10890 1 13 . 1 1 92 92 PHE N N 92 119.368 119.368 119.541 -0.173 18976 10891 1 13 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.727 -0.597 18976 10892 1 13 . 1 1 92 92 PHE C C 92 176.454 176.454 176.946 -0.492 18976 10893 1 13 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.036 0.195 18976 10894 1 13 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.768 0.159 18976 10895 1 13 . 1 1 92 92 PHE H H 92 8.360 8.360 8.284 0.076 18976 10896 1 13 . 1 1 93 93 ARG N N 93 117.178 117.178 120.214 -3.036 18976 10897 1 13 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.964 -0.099 18976 10898 1 13 . 1 1 93 93 ARG C C 93 178.421 178.421 178.771 -0.350 18976 10899 1 13 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.577 -0.736 18976 10900 1 13 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.154 -0.248 18976 10901 1 13 . 1 1 93 93 ARG H H 93 7.895 7.895 7.699 0.196 18976 10902 1 13 . 1 1 94 94 VAL N N 94 115.719 115.719 118.281 -2.562 18976 10903 1 13 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.702 -0.102 18976 10904 1 13 . 1 1 94 94 VAL C C 94 177.334 177.334 177.146 0.188 18976 10905 1 13 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.558 -0.526 18976 10906 1 13 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.762 -0.218 18976 10907 1 13 . 1 1 94 94 VAL H H 94 7.541 7.541 7.920 -0.379 18976 10908 1 13 . 1 1 95 95 GLU N N 95 117.921 117.921 116.289 1.632 18976 10909 1 13 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.025 -0.017 18976 10910 1 13 . 1 1 95 95 GLU C C 95 176.953 176.953 176.478 0.475 18976 10911 1 13 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.138 0.118 18976 10912 1 13 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.936 -1.250 18976 10913 1 13 . 1 1 95 95 GLU H H 95 7.011 7.011 7.442 -0.431 18976 10914 1 13 . 1 1 96 96 ASP N N 96 117.365 117.365 118.490 -1.125 18976 10915 1 13 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.741 -0.291 18976 10916 1 13 . 1 1 96 96 ASP C C 96 177.202 177.202 176.542 0.660 18976 10917 1 13 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.040 -1.567 18976 10918 1 13 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.355 -2.281 18976 10919 1 13 . 1 1 96 96 ASP H H 96 7.626 7.626 7.541 0.085 18976 10920 1 13 . 1 1 97 97 LYS N N 97 124.733 124.733 124.979 -0.246 18976 10921 1 13 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.073 -0.172 18976 10922 1 13 . 1 1 97 97 LYS C C 97 178.333 178.333 178.069 0.264 18976 10923 1 13 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.931 0.674 18976 10924 1 13 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.634 -0.204 18976 10925 1 13 . 1 1 97 97 LYS H H 97 7.357 7.357 8.193 -0.836 18976 10926 1 13 . 1 1 98 98 ASP N N 98 114.048 114.048 115.754 -1.706 18976 10927 1 13 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.470 0.098 18976 10928 1 13 . 1 1 98 98 ASP C C 98 177.775 177.775 177.516 0.259 18976 10929 1 13 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.355 -1.698 18976 10930 1 13 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.420 -0.827 18976 10931 1 13 . 1 1 98 98 ASP H H 98 8.352 8.352 7.962 0.390 18976 10932 1 13 . 1 1 99 99 GLY N N 99 109.454 109.454 109.057 0.397 18976 10933 1 13 . 1 1 99 99 GLY C C 99 175.082 175.082 174.897 0.185 18976 10934 1 13 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.678 1.149 18976 10935 1 13 . 1 1 99 99 GLY H H 99 7.828 7.828 8.102 -0.274 18976 10936 1 13 . 1 1 100 100 ASN N N 100 119.607 119.607 118.707 0.900 18976 10937 1 13 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.827 -0.192 18976 10938 1 13 . 1 1 100 100 ASN C C 100 175.969 175.969 176.610 -0.641 18976 10939 1 13 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.798 -0.315 18976 10940 1 13 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.751 -1.870 18976 10941 1 13 . 1 1 100 100 ASN H H 100 8.334 8.334 8.348 -0.014 18976 10942 1 13 . 1 1 101 101 GLY N N 101 113.007 113.007 107.856 5.151 18976 10943 1 13 . 1 1 101 101 GLY C C 101 172.314 172.314 172.661 -0.347 18976 10944 1 13 . 1 1 101 101 GLY CA C 101 44.682 44.682 44.988 -0.306 18976 10945 1 13 . 1 1 101 101 GLY H H 101 10.640 10.640 8.894 1.746 18976 10946 1 13 . 1 1 102 102 TYR N N 102 115.913 115.913 117.701 -1.788 18976 10947 1 13 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.211 -0.025 18976 10948 1 13 . 1 1 102 102 TYR C C 102 174.736 174.736 174.778 -0.042 18976 10949 1 13 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.081 -0.419 18976 10950 1 13 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.262 1.539 18976 10951 1 13 . 1 1 102 102 TYR H H 102 7.610 7.610 8.215 -0.605 18976 10952 1 13 . 1 1 103 103 ILE N N 103 127.698 127.698 123.330 4.368 18976 10953 1 13 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.580 0.236 18976 10954 1 13 . 1 1 103 103 ILE C C 103 175.634 175.634 175.733 -0.099 18976 10955 1 13 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.564 0.874 18976 10956 1 13 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.872 -0.953 18976 10957 1 13 . 1 1 103 103 ILE H H 103 10.228 10.228 8.162 2.066 18976 10958 1 13 . 1 1 104 104 SER N N 104 123.581 123.581 122.134 1.447 18976 10959 1 13 . 1 1 104 104 SER HA H 104 4.849 4.849 5.208 -0.359 18976 10960 1 13 . 1 1 104 104 SER C C 104 175.191 175.191 175.303 -0.112 18976 10961 1 13 . 1 1 104 104 SER CA C 104 55.499 55.499 55.471 0.028 18976 10962 1 13 . 1 1 104 104 SER CB C 104 66.371 66.371 65.233 1.139 18976 10963 1 13 . 1 1 104 104 SER H H 104 8.947 8.947 8.211 0.736 18976 10964 1 13 . 1 1 105 105 ALA N N 105 122.829 122.829 125.646 -2.817 18976 10965 1 13 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.057 -0.128 18976 10966 1 13 . 1 1 105 105 ALA C C 105 179.272 179.272 179.004 0.268 18976 10967 1 13 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.524 0.136 18976 10968 1 13 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.421 -0.738 18976 10969 1 13 . 1 1 105 105 ALA H H 105 9.251 9.251 9.057 0.194 18976 10970 1 13 . 1 1 106 106 ALA N N 106 118.442 118.442 120.506 -2.064 18976 10971 1 13 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.931 0.106 18976 10972 1 13 . 1 1 106 106 ALA C C 106 181.180 181.180 178.813 2.367 18976 10973 1 13 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.956 -0.115 18976 10974 1 13 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.100 -0.057 18976 10975 1 13 . 1 1 106 106 ALA H H 106 8.209 8.209 8.175 0.034 18976 10976 1 13 . 1 1 107 107 GLU N N 107 118.406 118.406 118.260 0.146 18976 10977 1 13 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.120 -0.128 18976 10978 1 13 . 1 1 107 107 GLU C C 107 179.272 179.272 178.738 0.534 18976 10979 1 13 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.400 0.741 18976 10980 1 13 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.456 -0.699 18976 10981 1 13 . 1 1 107 107 GLU H H 107 7.752 7.752 7.799 -0.047 18976 10982 1 13 . 1 1 108 108 LEU N N 108 122.413 122.413 120.751 1.662 18976 10983 1 13 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.968 0.104 18976 10984 1 13 . 1 1 108 108 LEU C C 108 178.553 178.553 178.778 -0.225 18976 10985 1 13 . 1 1 108 108 LEU CA C 108 57.292 57.292 58.092 -0.800 18976 10986 1 13 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.796 -0.353 18976 10987 1 13 . 1 1 108 108 LEU H H 108 8.793 8.793 8.244 0.549 18976 10988 1 13 . 1 1 109 109 ARG N N 109 118.074 118.074 118.433 -0.359 18976 10989 1 13 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.908 -0.051 18976 10990 1 13 . 1 1 109 109 ARG C C 109 179.140 179.140 179.037 0.103 18976 10991 1 13 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.720 0.066 18976 10992 1 13 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.169 -0.345 18976 10993 1 13 . 1 1 109 109 ARG H H 109 8.421 8.421 7.900 0.521 18976 10994 1 13 . 1 1 110 110 ILE N N 110 120.191 120.191 114.629 5.562 18976 10995 1 13 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.969 -0.182 18976 10996 1 13 . 1 1 110 110 ILE C C 110 177.804 177.804 177.731 0.073 18976 10997 1 13 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.287 0.266 18976 10998 1 13 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.686 0.372 18976 10999 1 13 . 1 1 110 110 ILE H H 110 7.401 7.401 7.554 -0.153 18976 11000 1 13 . 1 1 111 111 VAL N N 111 120.330 120.330 117.483 2.847 18976 11001 1 13 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.899 -0.136 18976 11002 1 13 . 1 1 111 111 VAL C C 111 178.802 178.802 177.438 1.364 18976 11003 1 13 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.293 0.397 18976 11004 1 13 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.771 -0.179 18976 11005 1 13 . 1 1 111 111 VAL H H 111 7.907 7.907 7.158 0.749 18976 11006 1 13 . 1 1 112 112 MET N N 112 116.794 116.794 118.941 -2.147 18976 11007 1 13 . 1 1 112 112 MET HA H 112 4.396 4.396 4.383 0.013 18976 11008 1 13 . 1 1 112 112 MET C C 112 178.890 178.890 178.559 0.331 18976 11009 1 13 . 1 1 112 112 MET CA C 112 56.719 56.719 56.118 0.601 18976 11010 1 13 . 1 1 112 112 MET CB C 112 30.384 30.384 30.959 -0.575 18976 11011 1 13 . 1 1 112 112 MET H H 112 8.355 8.355 8.357 -0.002 18976 11012 1 13 . 1 1 113 113 THR N N 113 117.282 117.282 115.500 1.782 18976 11013 1 13 . 1 1 113 113 THR HA H 113 4.187 4.187 4.003 0.184 18976 11014 1 13 . 1 1 113 113 THR C C 113 178.112 178.112 175.883 2.229 18976 11015 1 13 . 1 1 113 113 THR CA C 113 65.902 65.902 67.249 -1.347 18976 11016 1 13 . 1 1 113 113 THR CB C 113 68.642 68.642 68.412 0.230 18976 11017 1 13 . 1 1 113 113 THR H H 113 8.314 8.314 7.900 0.414 18976 11018 1 13 . 1 1 114 114 ASN N N 114 122.220 122.220 117.825 4.395 18976 11019 1 13 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.671 -0.079 18976 11020 1 13 . 1 1 114 114 ASN C C 114 176.644 176.644 176.838 -0.194 18976 11021 1 13 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.836 0.318 18976 11022 1 13 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.103 -0.507 18976 11023 1 13 . 1 1 114 114 ASN H H 114 8.483 8.483 7.756 0.727 18976 11024 1 13 . 1 1 115 115 ARG N N 115 117.970 117.970 118.810 -0.840 18976 11025 1 13 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.357 0.072 18976 11026 1 13 . 1 1 115 115 ARG C C 115 176.366 176.366 177.290 -0.924 18976 11027 1 13 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.953 -0.554 18976 11028 1 13 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.226 0.274 18976 11029 1 13 . 1 1 115 115 ARG H H 115 7.776 7.776 8.125 -0.349 18976 11030 1 13 . 1 1 116 116 GLY N N 116 107.547 107.547 106.978 0.569 18976 11031 1 13 . 1 1 116 116 GLY C C 116 174.384 174.384 174.957 -0.573 18976 11032 1 13 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.751 -0.544 18976 11033 1 13 . 1 1 116 116 GLY H H 116 7.968 7.968 7.806 0.162 18976 11034 1 13 . 1 1 117 117 GLU N N 117 119.975 119.975 119.597 0.378 18976 11035 1 13 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.327 0.079 18976 11036 1 13 . 1 1 117 117 GLU C C 117 175.558 175.558 175.673 -0.115 18976 11037 1 13 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.567 0.610 18976 11038 1 13 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.653 0.747 18976 11039 1 13 . 1 1 117 117 GLU H H 117 7.934 7.934 7.886 0.048 18976 11040 1 13 . 1 1 118 118 LYS N N 118 124.035 124.035 120.947 3.088 18976 11041 1 13 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.121 0.283 18976 11042 1 13 . 1 1 118 118 LYS C C 118 175.441 175.441 175.789 -0.348 18976 11043 1 13 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.760 -1.492 18976 11044 1 13 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.511 -0.661 18976 11045 1 13 . 1 1 118 118 LYS H H 118 8.626 8.626 7.752 0.874 18976 11046 1 13 . 1 1 119 119 LEU N N 119 124.745 124.745 125.556 -0.811 18976 11047 1 13 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.650 0.120 18976 11048 1 13 . 1 1 119 119 LEU C C 119 178.127 178.127 177.344 0.783 18976 11049 1 13 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.966 0.873 18976 11050 1 13 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.512 -0.189 18976 11051 1 13 . 1 1 119 119 LEU H H 119 8.140 8.140 8.075 0.065 18976 11052 1 13 . 1 1 120 120 THR N N 120 114.555 114.555 115.107 -0.552 18976 11053 1 13 . 1 1 120 120 THR HA H 120 4.477 4.477 4.255 0.222 18976 11054 1 13 . 1 1 120 120 THR C C 120 175.514 175.514 175.257 0.257 18976 11055 1 13 . 1 1 120 120 THR CA C 120 60.613 60.613 62.362 -1.749 18976 11056 1 13 . 1 1 120 120 THR CB C 120 70.902 70.902 69.840 1.062 18976 11057 1 13 . 1 1 120 120 THR H H 120 9.220 9.220 8.329 0.891 18976 11058 1 13 . 1 1 121 121 ASP N N 121 121.128 121.128 121.248 -0.120 18976 11059 1 13 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.308 -0.080 18976 11060 1 13 . 1 1 121 121 ASP C C 121 178.655 178.655 178.093 0.562 18976 11061 1 13 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.653 0.099 18976 11062 1 13 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.860 -1.545 18976 11063 1 13 . 1 1 121 121 ASP H H 121 8.921 8.921 8.791 0.130 18976 11064 1 13 . 1 1 122 122 GLU N N 122 119.266 119.266 117.147 2.119 18976 11065 1 13 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.101 0.018 18976 11066 1 13 . 1 1 122 122 GLU C C 122 179.184 179.184 178.535 0.649 18976 11067 1 13 . 1 1 122 122 GLU CA C 122 59.772 59.772 58.742 1.030 18976 11068 1 13 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.175 -0.309 18976 11069 1 13 . 1 1 122 122 GLU H H 122 8.712 8.712 8.820 -0.108 18976 11070 1 13 . 1 1 123 123 GLU N N 123 120.455 120.455 119.922 0.533 18976 11071 1 13 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.198 -0.175 18976 11072 1 13 . 1 1 123 123 GLU C C 123 180.123 180.123 179.156 0.967 18976 11073 1 13 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.401 0.689 18976 11074 1 13 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.942 0.271 18976 11075 1 13 . 1 1 123 123 GLU H H 123 7.763 7.763 7.689 0.074 18976 11076 1 13 . 1 1 124 124 VAL N N 124 121.726 121.726 115.594 6.132 18976 11077 1 13 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.620 -0.013 18976 11078 1 13 . 1 1 124 124 VAL C C 124 177.337 177.337 177.297 0.040 18976 11079 1 13 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.251 0.481 18976 11080 1 13 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.428 -0.386 18976 11081 1 13 . 1 1 124 124 VAL H H 124 8.119 8.119 8.184 -0.065 18976 11082 1 13 . 1 1 125 125 ASP N N 125 119.880 119.880 119.746 0.134 18976 11083 1 13 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.377 -0.026 18976 11084 1 13 . 1 1 125 125 ASP C C 125 179.323 179.323 177.882 1.441 18976 11085 1 13 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.153 0.222 18976 11086 1 13 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.922 -0.810 18976 11087 1 13 . 1 1 125 125 ASP H H 125 8.051 8.051 7.959 0.092 18976 11088 1 13 . 1 1 126 126 GLU N N 126 119.798 119.798 120.286 -0.488 18976 11089 1 13 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.098 -0.077 18976 11090 1 13 . 1 1 126 126 GLU C C 126 177.966 177.966 178.675 -0.709 18976 11091 1 13 . 1 1 126 126 GLU CA C 126 58.973 58.973 58.918 0.055 18976 11092 1 13 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.161 -0.077 18976 11093 1 13 . 1 1 126 126 GLU H H 126 8.047 8.047 7.682 0.365 18976 11094 1 13 . 1 1 127 127 MET N N 127 119.443 119.443 118.285 1.158 18976 11095 1 13 . 1 1 127 127 MET HA H 127 4.137 4.137 4.116 0.021 18976 11096 1 13 . 1 1 127 127 MET C C 127 179.859 179.859 178.610 1.249 18976 11097 1 13 . 1 1 127 127 MET CA C 127 59.137 59.137 59.655 -0.518 18976 11098 1 13 . 1 1 127 127 MET CB C 127 32.239 32.239 32.642 -0.403 18976 11099 1 13 . 1 1 127 127 MET H H 127 7.795 7.795 7.853 -0.058 18976 11100 1 13 . 1 1 128 128 ILE N N 128 120.667 120.667 119.512 1.155 18976 11101 1 13 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.612 -0.091 18976 11102 1 13 . 1 1 128 128 ILE C C 128 177.657 177.657 177.763 -0.106 18976 11103 1 13 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.239 -1.427 18976 11104 1 13 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.534 -1.547 18976 11105 1 13 . 1 1 128 128 ILE H H 128 8.158 8.158 7.591 0.567 18976 11106 1 13 . 1 1 129 129 ARG N N 129 119.725 119.725 120.044 -0.319 18976 11107 1 13 . 1 1 129 129 ARG HA H 129 4.069 4.069 3.948 0.121 18976 11108 1 13 . 1 1 129 129 ARG C C 129 178.920 178.920 177.939 0.981 18976 11109 1 13 . 1 1 129 129 ARG CA C 129 59.615 59.615 59.369 0.246 18976 11110 1 13 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.127 -0.245 18976 11111 1 13 . 1 1 129 129 ARG H H 129 8.270 8.270 7.905 0.365 18976 11112 1 13 . 1 1 130 130 GLU N N 130 115.236 115.236 117.006 -1.770 18976 11113 1 13 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.108 -0.014 18976 11114 1 13 . 1 1 130 130 GLU C C 130 177.349 177.349 179.007 -1.658 18976 11115 1 13 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.863 -0.963 18976 11116 1 13 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.495 0.328 18976 11117 1 13 . 1 1 130 130 GLU H H 130 7.953 7.953 8.172 -0.219 18976 11118 1 13 . 1 1 131 131 THR N N 131 112.585 112.585 112.958 -0.373 18976 11119 1 13 . 1 1 131 131 THR HA H 131 4.239 4.239 4.114 0.125 18976 11120 1 13 . 1 1 131 131 THR C C 131 174.149 174.149 174.191 -0.042 18976 11121 1 13 . 1 1 131 131 THR CA C 131 62.887 62.887 66.148 -3.261 18976 11122 1 13 . 1 1 131 131 THR CB C 131 69.337 69.337 69.419 -0.082 18976 11123 1 13 . 1 1 131 131 THR H H 131 7.465 7.465 7.763 -0.298 18976 11124 1 13 . 1 1 132 132 ASP N N 132 121.237 121.237 119.154 2.083 18976 11125 1 13 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.881 -0.403 18976 11126 1 13 . 1 1 132 132 ASP C C 132 175.777 175.777 176.634 -0.857 18976 11127 1 13 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.058 1.896 18976 11128 1 13 . 1 1 132 132 ASP CB C 132 40.440 40.440 43.257 -2.817 18976 11129 1 13 . 1 1 132 132 ASP H H 132 8.070 8.070 7.742 0.328 18976 11130 1 13 . 1 1 133 133 ILE N N 133 127.244 127.244 119.401 7.843 18976 11131 1 13 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.263 -0.287 18976 11132 1 13 . 1 1 133 133 ILE C C 133 177.628 177.628 176.052 1.576 18976 11133 1 13 . 1 1 133 133 ILE CA C 133 62.866 62.866 61.889 0.977 18976 11134 1 13 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.555 -0.077 18976 11135 1 13 . 1 1 133 133 ILE H H 133 8.345 8.345 8.300 0.045 18976 11136 1 13 . 1 1 134 134 ASP N N 134 116.893 116.893 120.132 -3.239 18976 11137 1 13 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.573 -0.040 18976 11138 1 13 . 1 1 134 134 ASP C C 134 178.259 178.259 177.393 0.866 18976 11139 1 13 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.194 -0.651 18976 11140 1 13 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.452 -0.614 18976 11141 1 13 . 1 1 134 134 ASP H H 134 8.297 8.297 8.066 0.231 18976 11142 1 13 . 1 1 135 135 GLY N N 135 108.287 108.287 108.113 0.174 18976 11143 1 13 . 1 1 135 135 GLY C C 135 175.250 175.250 175.463 -0.213 18976 11144 1 13 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.008 1.089 18976 11145 1 13 . 1 1 135 135 GLY H H 135 7.623 7.623 8.080 -0.457 18976 11146 1 13 . 1 1 136 136 ASP N N 136 120.541 120.541 120.362 0.179 18976 11147 1 13 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.515 -0.035 18976 11148 1 13 . 1 1 136 136 ASP C C 136 177.584 177.584 177.986 -0.402 18976 11149 1 13 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.643 -0.268 18976 11150 1 13 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.977 -1.084 18976 11151 1 13 . 1 1 136 136 ASP H H 136 8.290 8.290 8.428 -0.138 18976 11152 1 13 . 1 1 137 137 GLY N N 137 112.490 112.490 108.764 3.726 18976 11153 1 13 . 1 1 137 137 GLY C C 137 172.828 172.828 173.486 -0.658 18976 11154 1 13 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.332 0.138 18976 11155 1 13 . 1 1 137 137 GLY H H 137 10.224 10.224 8.122 2.102 18976 11156 1 13 . 1 1 138 138 GLN N N 138 115.266 115.266 118.130 -2.864 18976 11157 1 13 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.341 -0.472 18976 11158 1 13 . 1 1 138 138 GLN C C 138 174.677 174.677 175.593 -0.916 18976 11159 1 13 . 1 1 138 138 GLN CA C 138 52.786 52.786 53.474 -0.688 18976 11160 1 13 . 1 1 138 138 GLN CB C 138 31.743 31.743 32.629 -0.886 18976 11161 1 13 . 1 1 138 138 GLN H H 138 7.992 7.992 8.229 -0.237 18976 11162 1 13 . 1 1 139 139 VAL N N 139 125.667 125.667 123.956 1.711 18976 11163 1 13 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.263 0.849 18976 11164 1 13 . 1 1 139 139 VAL C C 139 175.763 175.763 174.589 1.174 18976 11165 1 13 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.845 -0.166 18976 11166 1 13 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.036 1.496 18976 11167 1 13 . 1 1 139 139 VAL H H 139 9.227 9.227 8.380 0.847 18976 11168 1 13 . 1 1 140 140 ASN N N 140 128.431 128.431 125.243 3.188 18976 11169 1 13 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.449 -0.175 18976 11170 1 13 . 1 1 140 140 ASN C C 140 175.079 175.079 176.488 -1.409 18976 11171 1 13 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.279 0.387 18976 11172 1 13 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.702 -3.475 18976 11173 1 13 . 1 1 140 140 ASN H H 140 9.360 9.360 8.464 0.896 18976 11174 1 13 . 1 1 141 141 TYR N N 141 119.146 119.146 121.148 -2.002 18976 11175 1 13 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.987 -0.601 18976 11176 1 13 . 1 1 141 141 TYR C C 141 176.092 176.092 177.832 -1.740 18976 11177 1 13 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.443 0.615 18976 11178 1 13 . 1 1 141 141 TYR CB C 141 37.359 37.359 37.885 -0.526 18976 11179 1 13 . 1 1 141 141 TYR H H 141 8.451 8.451 8.795 -0.344 18976 11180 1 13 . 1 1 142 142 GLU N N 142 118.431 118.431 119.488 -1.057 18976 11181 1 13 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.060 -0.378 18976 11182 1 13 . 1 1 142 142 GLU C C 142 180.226 180.226 178.534 1.692 18976 11183 1 13 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.546 0.537 18976 11184 1 13 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.387 -0.841 18976 11185 1 13 . 1 1 142 142 GLU H H 142 8.097 8.097 7.972 0.125 18976 11186 1 13 . 1 1 143 143 GLU N N 143 120.068 120.068 119.030 1.038 18976 11187 1 13 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.210 -0.220 18976 11188 1 13 . 1 1 143 143 GLU C C 143 179.060 179.060 178.888 0.172 18976 11189 1 13 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.533 0.041 18976 11190 1 13 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.113 0.070 18976 11191 1 13 . 1 1 143 143 GLU H H 143 8.667 8.667 7.839 0.828 18976 11192 1 13 . 1 1 144 144 PHE N N 144 123.392 123.392 122.321 1.071 18976 11193 1 13 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.222 -0.255 18976 11194 1 13 . 1 1 144 144 PHE C C 144 176.982 176.982 176.965 0.017 18976 11195 1 13 . 1 1 144 144 PHE CA C 144 61.446 61.446 62.141 -0.695 18976 11196 1 13 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.610 0.085 18976 11197 1 13 . 1 1 144 144 PHE H H 144 8.731 8.731 8.782 -0.051 18976 11198 1 13 . 1 1 145 145 VAL N N 145 119.201 119.201 118.634 0.567 18976 11199 1 13 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.503 -0.310 18976 11200 1 13 . 1 1 145 145 VAL C C 145 179.228 179.228 177.712 1.516 18976 11201 1 13 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.183 0.479 18976 11202 1 13 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.626 -0.342 18976 11203 1 13 . 1 1 145 145 VAL H H 145 8.671 8.671 7.751 0.920 18976 11204 1 13 . 1 1 146 146 GLN N N 146 119.252 119.252 119.813 -0.561 18976 11205 1 13 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.885 0.031 18976 11206 1 13 . 1 1 146 146 GLN C C 146 177.825 177.825 178.066 -0.241 18976 11207 1 13 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.415 -0.848 18976 11208 1 13 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.598 -0.778 18976 11209 1 13 . 1 1 146 146 GLN H H 146 7.767 7.767 7.841 -0.074 18976 11210 1 13 . 1 1 147 147 ARG N N 147 118.529 118.529 119.992 -1.463 18976 11211 1 13 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.031 0.141 18976 11212 1 13 . 1 1 147 147 ARG C C 147 178.112 178.112 178.979 -0.867 18976 11213 1 13 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.445 -0.936 18976 11214 1 13 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.628 0.486 18976 11215 1 13 . 1 1 147 147 ARG H H 147 7.628 7.628 7.896 -0.268 18976 11216 1 13 . 1 1 148 148 MET N N 148 115.755 115.755 116.946 -1.191 18976 11217 1 13 . 1 1 148 148 MET HA H 148 4.304 4.304 4.249 0.055 18976 11218 1 13 . 1 1 148 148 MET C C 148 177.628 177.628 178.421 -0.793 18976 11219 1 13 . 1 1 148 148 MET CA C 148 55.489 55.489 56.751 -1.262 18976 11220 1 13 . 1 1 148 148 MET CB C 148 31.773 31.773 31.536 0.237 18976 11221 1 13 . 1 1 148 148 MET H H 148 8.003 8.003 8.018 -0.015 18976 11222 1 13 . 1 1 149 149 THR N N 149 110.062 110.062 113.477 -3.415 18976 11223 1 13 . 1 1 149 149 THR HA H 149 4.349 4.349 4.173 0.176 18976 11224 1 13 . 1 1 149 149 THR C C 149 174.149 174.149 174.642 -0.493 18976 11225 1 13 . 1 1 149 149 THR CA C 149 61.775 61.775 63.469 -1.694 18976 11226 1 13 . 1 1 149 149 THR CB C 149 69.780 69.780 69.316 0.464 18976 11227 1 13 . 1 1 149 149 THR H H 149 7.682 7.682 7.850 -0.168 18976 11228 1 13 . 1 1 150 150 ALA N N 150 126.503 126.503 121.845 4.658 18976 11229 1 13 . 1 1 150 150 ALA HA H 150 4.330 4.330 3.872 0.458 18976 11230 1 13 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.789 -0.254 18976 11231 1 13 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.274 0.460 18976 11232 1 13 . 1 1 150 150 ALA H H 150 7.651 7.651 7.589 0.062 18976 11233 1 14 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.418 0.003 18976 11234 1 14 . 1 1 2 2 LEU C C 2 177.129 177.129 178.707 -1.578 18976 11235 1 14 . 1 1 2 2 LEU CA C 2 55.122 55.122 56.560 -1.438 18976 11236 1 14 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.838 0.615 18976 11237 1 14 . 1 1 2 2 LEU H H 2 8.641 8.641 8.789 -0.148 18976 11238 1 14 . 1 1 3 3 MET N N 3 120.143 120.143 116.302 3.841 18976 11239 1 14 . 1 1 3 3 MET HA H 3 4.451 4.451 4.018 0.433 18976 11240 1 14 . 1 1 3 3 MET C C 3 176.835 176.835 177.106 -0.271 18976 11241 1 14 . 1 1 3 3 MET CA C 3 55.160 55.160 57.996 -2.837 18976 11242 1 14 . 1 1 3 3 MET CB C 3 32.584 32.584 31.572 1.012 18976 11243 1 14 . 1 1 3 3 MET H H 3 8.396 8.396 7.908 0.488 18976 11244 1 14 . 1 1 4 4 ALA N N 4 123.344 123.344 119.199 4.145 18976 11245 1 14 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.999 0.061 18976 11246 1 14 . 1 1 4 4 ALA C C 4 177.922 177.922 178.699 -0.777 18976 11247 1 14 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.544 0.006 18976 11248 1 14 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.788 -0.232 18976 11249 1 14 . 1 1 4 4 ALA H H 4 8.396 8.396 7.489 0.907 18976 11250 1 14 . 1 1 5 5 ASP N N 5 116.052 116.052 117.371 -1.319 18976 11251 1 14 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.616 -0.107 18976 11252 1 14 . 1 1 5 5 ASP C C 5 176.366 176.366 177.611 -1.245 18976 11253 1 14 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.724 -1.101 18976 11254 1 14 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.233 -0.970 18976 11255 1 14 . 1 1 5 5 ASP H H 5 8.114 8.114 7.631 0.483 18976 11256 1 14 . 1 1 6 6 GLN N N 6 117.717 117.717 118.699 -0.982 18976 11257 1 14 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.444 -0.067 18976 11258 1 14 . 1 1 6 6 GLN C C 6 175.842 175.842 175.792 0.050 18976 11259 1 14 . 1 1 6 6 GLN CA C 6 55.311 55.311 54.885 0.426 18976 11260 1 14 . 1 1 6 6 GLN CB C 6 29.590 29.590 28.044 1.546 18976 11261 1 14 . 1 1 6 6 GLN H H 6 7.935 7.935 7.812 0.123 18976 11262 1 14 . 1 1 7 7 LEU N N 7 121.086 121.086 120.869 0.217 18976 11263 1 14 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.414 0.262 18976 11264 1 14 . 1 1 7 7 LEU C C 7 177.496 177.496 177.687 -0.191 18976 11265 1 14 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.908 -0.843 18976 11266 1 14 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.617 0.651 18976 11267 1 14 . 1 1 7 7 LEU H H 7 7.713 7.713 7.249 0.464 18976 11268 1 14 . 1 1 8 8 THR N N 8 112.688 112.688 111.092 1.596 18976 11269 1 14 . 1 1 8 8 THR HA H 8 4.475 4.475 4.549 -0.074 18976 11270 1 14 . 1 1 8 8 THR C C 8 175.511 175.511 175.143 0.368 18976 11271 1 14 . 1 1 8 8 THR CA C 8 60.256 60.256 60.850 -0.594 18976 11272 1 14 . 1 1 8 8 THR CB C 8 71.019 71.019 70.305 0.714 18976 11273 1 14 . 1 1 8 8 THR H H 8 8.800 8.800 8.087 0.713 18976 11274 1 14 . 1 1 9 9 GLU N N 9 120.380 120.380 122.279 -1.899 18976 11275 1 14 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.129 -0.149 18976 11276 1 14 . 1 1 9 9 GLU C C 9 179.492 179.492 178.691 0.801 18976 11277 1 14 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.644 0.282 18976 11278 1 14 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.338 -0.413 18976 11279 1 14 . 1 1 9 9 GLU H H 9 9.040 9.040 8.973 0.067 18976 11280 1 14 . 1 1 10 10 GLU N N 10 119.361 119.361 118.458 0.903 18976 11281 1 14 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.051 0.023 18976 11282 1 14 . 1 1 10 10 GLU C C 10 179.185 179.185 178.690 0.495 18976 11283 1 14 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.056 0.711 18976 11284 1 14 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.852 -0.056 18976 11285 1 14 . 1 1 10 10 GLU H H 10 8.729 8.729 8.812 -0.083 18976 11286 1 14 . 1 1 11 11 GLN N N 11 120.302 120.302 119.637 0.665 18976 11287 1 14 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.108 -0.240 18976 11288 1 14 . 1 1 11 11 GLN C C 11 178.318 178.318 178.843 -0.525 18976 11289 1 14 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.350 0.034 18976 11290 1 14 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.152 -0.267 18976 11291 1 14 . 1 1 11 11 GLN H H 11 7.747 7.747 7.581 0.166 18976 11292 1 14 . 1 1 12 12 ILE N N 12 119.533 119.533 120.543 -1.010 18976 11293 1 14 . 1 1 12 12 ILE HA H 12 3.718 3.718 4.021 -0.303 18976 11294 1 14 . 1 1 12 12 ILE C C 12 177.731 177.731 178.141 -0.410 18976 11295 1 14 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.675 0.284 18976 11296 1 14 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.845 -0.334 18976 11297 1 14 . 1 1 12 12 ILE H H 12 8.456 8.456 8.360 0.096 18976 11298 1 14 . 1 1 13 13 ALA N N 13 121.161 121.161 121.862 -0.701 18976 11299 1 14 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.989 0.150 18976 11300 1 14 . 1 1 13 13 ALA C C 13 181.019 181.019 179.766 1.253 18976 11301 1 14 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.581 -0.458 18976 11302 1 14 . 1 1 13 13 ALA CB C 13 17.504 17.504 17.966 -0.462 18976 11303 1 14 . 1 1 13 13 ALA H H 13 8.018 8.018 8.032 -0.014 18976 11304 1 14 . 1 1 14 14 GLU N N 14 119.619 119.619 118.633 0.986 18976 11305 1 14 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.057 0.107 18976 11306 1 14 . 1 1 14 14 GLU C C 14 180.534 180.534 179.301 1.233 18976 11307 1 14 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.665 0.459 18976 11308 1 14 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.116 -0.263 18976 11309 1 14 . 1 1 14 14 GLU H H 14 7.792 7.792 7.646 0.146 18976 11310 1 14 . 1 1 15 15 PHE N N 15 120.089 120.089 118.089 2.000 18976 11311 1 14 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.723 0.341 18976 11312 1 14 . 1 1 15 15 PHE C C 15 178.700 178.700 178.279 0.421 18976 11313 1 14 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.125 -2.268 18976 11314 1 14 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.171 -1.695 18976 11315 1 14 . 1 1 15 15 PHE H H 15 8.587 8.587 8.403 0.184 18976 11316 1 14 . 1 1 16 16 LYS N N 16 123.715 123.715 120.225 3.490 18976 11317 1 14 . 1 1 16 16 LYS HA H 16 4.045 4.045 3.952 0.093 18976 11318 1 14 . 1 1 16 16 LYS C C 16 179.327 179.327 178.429 0.898 18976 11319 1 14 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.102 0.768 18976 11320 1 14 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.751 -0.178 18976 11321 1 14 . 1 1 16 16 LYS H H 16 9.256 9.256 8.549 0.707 18976 11322 1 14 . 1 1 17 17 GLU N N 17 120.262 120.262 119.452 0.810 18976 11323 1 14 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.290 -0.134 18976 11324 1 14 . 1 1 17 17 GLU C C 17 179.456 179.456 178.603 0.853 18976 11325 1 14 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.437 0.570 18976 11326 1 14 . 1 1 17 17 GLU CB C 17 28.809 28.809 28.841 -0.032 18976 11327 1 14 . 1 1 17 17 GLU H H 17 7.774 7.774 7.946 -0.172 18976 11328 1 14 . 1 1 18 18 ALA N N 18 122.590 122.590 122.553 0.037 18976 11329 1 14 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.219 0.096 18976 11330 1 14 . 1 1 18 18 ALA C C 18 179.060 179.060 179.672 -0.612 18976 11331 1 14 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.911 -0.082 18976 11332 1 14 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.435 -0.637 18976 11333 1 14 . 1 1 18 18 ALA H H 18 8.001 8.001 8.094 -0.093 18976 11334 1 14 . 1 1 19 19 PHE N N 19 119.363 119.363 118.607 0.756 18976 11335 1 14 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.763 -0.529 18976 11336 1 14 . 1 1 19 19 PHE C C 19 177.290 177.290 177.163 0.127 18976 11337 1 14 . 1 1 19 19 PHE CA C 19 61.757 61.757 61.324 0.433 18976 11338 1 14 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.891 0.247 18976 11339 1 14 . 1 1 19 19 PHE H H 19 8.859 8.859 8.220 0.639 18976 11340 1 14 . 1 1 20 20 SER N N 20 112.556 112.556 114.098 -1.542 18976 11341 1 14 . 1 1 20 20 SER HA H 20 4.142 4.142 4.255 -0.113 18976 11342 1 14 . 1 1 20 20 SER C C 20 174.955 174.955 175.569 -0.614 18976 11343 1 14 . 1 1 20 20 SER CA C 20 61.007 61.007 62.150 -1.143 18976 11344 1 14 . 1 1 20 20 SER CB C 20 62.960 62.960 63.393 -0.433 18976 11345 1 14 . 1 1 20 20 SER H H 20 7.934 7.934 7.798 0.136 18976 11346 1 14 . 1 1 21 21 LEU N N 21 120.816 120.816 117.468 3.348 18976 11347 1 14 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.401 -0.385 18976 11348 1 14 . 1 1 21 21 LEU C C 21 178.010 178.010 177.561 0.449 18976 11349 1 14 . 1 1 21 21 LEU CA C 21 56.795 56.795 56.767 0.027 18976 11350 1 14 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.876 -0.744 18976 11351 1 14 . 1 1 21 21 LEU H H 21 7.434 7.434 7.647 -0.213 18976 11352 1 14 . 1 1 22 22 PHE N N 22 115.049 115.049 120.040 -4.991 18976 11353 1 14 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.290 -0.046 18976 11354 1 14 . 1 1 22 22 PHE C C 22 176.762 176.762 175.688 1.074 18976 11355 1 14 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.201 -1.181 18976 11356 1 14 . 1 1 22 22 PHE CB C 22 40.730 40.730 40.084 0.646 18976 11357 1 14 . 1 1 22 22 PHE H H 22 7.326 7.326 7.527 -0.201 18976 11358 1 14 . 1 1 23 23 ASP N N 23 117.496 117.496 119.177 -1.681 18976 11359 1 14 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.708 -0.157 18976 11360 1 14 . 1 1 23 23 ASP C C 23 177.167 177.167 176.736 0.431 18976 11361 1 14 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.609 -1.568 18976 11362 1 14 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.355 -1.757 18976 11363 1 14 . 1 1 23 23 ASP H H 23 7.851 7.851 7.891 -0.040 18976 11364 1 14 . 1 1 24 24 LYS N N 24 124.470 124.470 124.909 -0.439 18976 11365 1 14 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.962 0.022 18976 11366 1 14 . 1 1 24 24 LYS C C 24 178.127 178.127 177.828 0.299 18976 11367 1 14 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.456 -0.298 18976 11368 1 14 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.204 0.179 18976 11369 1 14 . 1 1 24 24 LYS H H 24 7.687 7.687 7.942 -0.255 18976 11370 1 14 . 1 1 25 25 ASP N N 25 113.822 113.822 115.586 -1.764 18976 11371 1 14 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.487 0.119 18976 11372 1 14 . 1 1 25 25 ASP C C 25 177.687 177.687 177.310 0.377 18976 11373 1 14 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.126 -1.667 18976 11374 1 14 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.479 -1.288 18976 11375 1 14 . 1 1 25 25 ASP H H 25 8.067 8.067 7.866 0.201 18976 11376 1 14 . 1 1 26 26 GLY N N 26 109.208 109.208 108.818 0.390 18976 11377 1 14 . 1 1 26 26 GLY C C 26 175.132 175.132 174.822 0.310 18976 11378 1 14 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.536 1.338 18976 11379 1 14 . 1 1 26 26 GLY H H 26 7.698 7.698 7.831 -0.133 18976 11380 1 14 . 1 1 27 27 ASP N N 27 120.603 120.603 119.659 0.944 18976 11381 1 14 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.653 -0.130 18976 11382 1 14 . 1 1 27 27 ASP C C 27 177.452 177.452 177.618 -0.166 18976 11383 1 14 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.101 0.392 18976 11384 1 14 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.336 -1.088 18976 11385 1 14 . 1 1 27 27 ASP H H 27 8.397 8.397 8.712 -0.315 18976 11386 1 14 . 1 1 28 28 GLY N N 28 113.187 113.187 109.808 3.379 18976 11387 1 14 . 1 1 28 28 GLY C C 28 173.679 173.679 173.868 -0.189 18976 11388 1 14 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.427 -0.246 18976 11389 1 14 . 1 1 28 28 GLY H H 28 10.648 10.648 8.298 2.350 18976 11390 1 14 . 1 1 29 29 THR N N 29 112.865 112.865 110.769 2.096 18976 11391 1 14 . 1 1 29 29 THR HA H 29 5.310 5.310 5.266 0.044 18976 11392 1 14 . 1 1 29 29 THR C C 29 172.872 172.872 173.249 -0.377 18976 11393 1 14 . 1 1 29 29 THR CA C 29 59.764 59.764 61.125 -1.361 18976 11394 1 14 . 1 1 29 29 THR CB C 29 72.319 72.319 71.638 0.681 18976 11395 1 14 . 1 1 29 29 THR H H 29 8.144 8.144 8.460 -0.316 18976 11396 1 14 . 1 1 30 30 ILE N N 30 127.035 127.035 127.514 -0.479 18976 11397 1 14 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.604 0.376 18976 11398 1 14 . 1 1 30 30 ILE C C 30 176.072 176.072 176.514 -0.442 18976 11399 1 14 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.540 -0.396 18976 11400 1 14 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.760 1.542 18976 11401 1 14 . 1 1 30 30 ILE H H 30 9.821 9.821 9.034 0.787 18976 11402 1 14 . 1 1 31 31 THR N N 31 116.509 116.509 119.161 -2.652 18976 11403 1 14 . 1 1 31 31 THR HA H 31 4.800 4.800 4.723 0.077 18976 11404 1 14 . 1 1 31 31 THR C C 31 176.542 176.542 176.451 0.091 18976 11405 1 14 . 1 1 31 31 THR CA C 31 59.396 59.396 60.316 -0.920 18976 11406 1 14 . 1 1 31 31 THR CB C 31 72.162 72.162 70.472 1.690 18976 11407 1 14 . 1 1 31 31 THR H H 31 8.469 8.469 8.849 -0.380 18976 11408 1 14 . 1 1 32 32 THR N N 32 112.790 112.790 112.419 0.371 18976 11409 1 14 . 1 1 32 32 THR HA H 32 3.803 3.803 3.945 -0.142 18976 11410 1 14 . 1 1 32 32 THR C C 32 177.188 177.188 176.397 0.791 18976 11411 1 14 . 1 1 32 32 THR CA C 32 66.253 66.253 66.412 -0.159 18976 11412 1 14 . 1 1 32 32 THR CB C 32 67.459 67.459 68.415 -0.956 18976 11413 1 14 . 1 1 32 32 THR H H 32 9.128 9.128 8.906 0.222 18976 11414 1 14 . 1 1 33 33 LYS N N 33 120.844 120.844 121.159 -0.315 18976 11415 1 14 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.059 0.089 18976 11416 1 14 . 1 1 33 33 LYS C C 33 179.880 179.880 178.748 1.132 18976 11417 1 14 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.121 -0.182 18976 11418 1 14 . 1 1 33 33 LYS CB C 33 32.235 32.235 31.991 0.244 18976 11419 1 14 . 1 1 33 33 LYS H H 33 7.695 7.695 7.951 -0.256 18976 11420 1 14 . 1 1 34 34 GLU N N 34 121.463 121.463 119.015 2.448 18976 11421 1 14 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.135 -0.067 18976 11422 1 14 . 1 1 34 34 GLU C C 34 179.140 179.140 179.329 -0.189 18976 11423 1 14 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.943 0.196 18976 11424 1 14 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.656 -0.111 18976 11425 1 14 . 1 1 34 34 GLU H H 34 7.687 7.687 7.602 0.085 18976 11426 1 14 . 1 1 35 35 LEU N N 35 120.583 120.583 120.726 -0.143 18976 11427 1 14 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.336 -0.213 18976 11428 1 14 . 1 1 35 35 LEU C C 35 178.934 178.934 179.437 -0.503 18976 11429 1 14 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.950 -0.123 18976 11430 1 14 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.845 0.535 18976 11431 1 14 . 1 1 35 35 LEU H H 35 8.745 8.745 8.594 0.151 18976 11432 1 14 . 1 1 36 36 GLY N N 36 128.127 128.127 104.462 23.665 18976 11433 1 14 . 1 1 36 36 GLY C C 36 175.177 175.177 176.068 -0.891 18976 11434 1 14 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.153 0.850 18976 11435 1 14 . 1 1 36 36 GLY H H 36 8.670 8.670 8.296 0.374 18976 11436 1 14 . 1 1 37 37 THR N N 37 117.925 117.925 118.345 -0.420 18976 11437 1 14 . 1 1 37 37 THR HA H 37 3.938 3.938 4.205 -0.267 18976 11438 1 14 . 1 1 37 37 THR C C 37 177.137 177.137 176.187 0.950 18976 11439 1 14 . 1 1 37 37 THR CA C 37 66.648 66.648 65.946 0.702 18976 11440 1 14 . 1 1 37 37 THR CB C 37 68.383 68.383 68.985 -0.602 18976 11441 1 14 . 1 1 37 37 THR H H 37 7.930 7.930 7.531 0.399 18976 11442 1 14 . 1 1 38 38 VAL N N 38 122.046 122.046 122.464 -0.418 18976 11443 1 14 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.548 -0.025 18976 11444 1 14 . 1 1 38 38 VAL C C 38 179.243 179.243 178.010 1.233 18976 11445 1 14 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.526 -0.564 18976 11446 1 14 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.900 0.170 18976 11447 1 14 . 1 1 38 38 VAL H H 38 7.643 7.643 7.898 -0.255 18976 11448 1 14 . 1 1 39 39 MET N N 39 118.442 118.442 117.450 0.992 18976 11449 1 14 . 1 1 39 39 MET HA H 39 4.133 4.133 4.047 0.086 18976 11450 1 14 . 1 1 39 39 MET C C 39 179.125 179.125 178.050 1.075 18976 11451 1 14 . 1 1 39 39 MET CA C 39 58.886 58.886 58.238 0.648 18976 11452 1 14 . 1 1 39 39 MET CB C 39 31.211 31.211 31.676 -0.465 18976 11453 1 14 . 1 1 39 39 MET H H 39 8.497 8.497 8.205 0.292 18976 11454 1 14 . 1 1 40 40 ARG N N 40 118.929 118.929 118.860 0.069 18976 11455 1 14 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.284 0.549 18976 11456 1 14 . 1 1 40 40 ARG C C 40 181.224 181.224 179.002 2.222 18976 11457 1 14 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.308 -0.422 18976 11458 1 14 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.959 -1.124 18976 11459 1 14 . 1 1 40 40 ARG H H 40 8.536 8.536 7.880 0.656 18976 11460 1 14 . 1 1 41 41 SER N N 41 118.832 118.832 115.394 3.438 18976 11461 1 14 . 1 1 41 41 SER HA H 41 4.425 4.425 4.305 0.120 18976 11462 1 14 . 1 1 41 41 SER C C 41 174.839 174.839 175.791 -0.952 18976 11463 1 14 . 1 1 41 41 SER CA C 41 61.249 61.249 60.710 0.539 18976 11464 1 14 . 1 1 41 41 SER CB C 41 62.464 62.464 63.141 -0.677 18976 11465 1 14 . 1 1 41 41 SER H H 41 7.925 7.925 7.725 0.200 18976 11466 1 14 . 1 1 42 42 LEU N N 42 120.676 120.676 119.506 1.170 18976 11467 1 14 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.225 0.292 18976 11468 1 14 . 1 1 42 42 LEU C C 42 177.540 177.540 177.235 0.305 18976 11469 1 14 . 1 1 42 42 LEU CA C 42 54.232 54.232 55.053 -0.821 18976 11470 1 14 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.602 0.068 18976 11471 1 14 . 1 1 42 42 LEU H H 42 7.395 7.395 7.460 -0.065 18976 11472 1 14 . 1 1 43 43 GLY N N 43 106.840 106.840 105.563 1.277 18976 11473 1 14 . 1 1 43 43 GLY C C 43 174.384 174.384 174.627 -0.243 18976 11474 1 14 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.572 0.736 18976 11475 1 14 . 1 1 43 43 GLY H H 43 7.885 7.885 7.555 0.330 18976 11476 1 14 . 1 1 44 44 GLN N N 44 118.414 118.414 120.802 -2.388 18976 11477 1 14 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.429 0.073 18976 11478 1 14 . 1 1 44 44 GLN C C 44 174.134 174.134 174.814 -0.680 18976 11479 1 14 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.880 -0.696 18976 11480 1 14 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.459 -0.185 18976 11481 1 14 . 1 1 44 44 GLN H H 44 7.805 7.805 7.830 -0.025 18976 11482 1 14 . 1 1 45 45 ASN N N 45 116.265 116.265 118.880 -2.615 18976 11483 1 14 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.063 0.138 18976 11484 1 14 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.617 -0.660 18976 11485 1 14 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.688 -0.779 18976 11486 1 14 . 1 1 45 45 ASN H H 45 8.733 8.733 8.592 0.141 18976 11487 1 14 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.923 -0.136 18976 11488 1 14 . 1 1 46 46 PRO C C 46 177.745 177.745 176.071 1.674 18976 11489 1 14 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.006 0.099 18976 11490 1 14 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.285 -1.582 18976 11491 1 14 . 1 1 47 47 THR N N 47 112.958 112.958 113.752 -0.794 18976 11492 1 14 . 1 1 47 47 THR HA H 47 4.451 4.451 4.572 -0.121 18976 11493 1 14 . 1 1 47 47 THR C C 47 175.159 175.159 176.035 -0.876 18976 11494 1 14 . 1 1 47 47 THR CA C 47 60.078 60.078 59.375 0.703 18976 11495 1 14 . 1 1 47 47 THR CB C 47 71.001 71.001 71.422 -0.421 18976 11496 1 14 . 1 1 47 47 THR H H 47 8.767 8.767 8.524 0.243 18976 11497 1 14 . 1 1 48 48 GLU N N 48 120.607 120.607 125.392 -4.785 18976 11498 1 14 . 1 1 48 48 GLU HA H 48 4.006 4.006 4.036 -0.030 18976 11499 1 14 . 1 1 48 48 GLU C C 48 178.949 178.949 178.090 0.859 18976 11500 1 14 . 1 1 48 48 GLU CA C 48 59.741 59.741 60.173 -0.432 18976 11501 1 14 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.335 -0.643 18976 11502 1 14 . 1 1 48 48 GLU H H 48 8.824 8.824 8.946 -0.122 18976 11503 1 14 . 1 1 49 49 ALA N N 49 120.678 120.678 121.947 -1.269 18976 11504 1 14 . 1 1 49 49 ALA HA H 49 4.119 4.119 3.998 0.121 18976 11505 1 14 . 1 1 49 49 ALA C C 49 180.226 180.226 179.632 0.594 18976 11506 1 14 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.950 -0.234 18976 11507 1 14 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.282 -0.409 18976 11508 1 14 . 1 1 49 49 ALA H H 49 8.279 8.279 7.571 0.708 18976 11509 1 14 . 1 1 50 50 GLU N N 50 118.703 118.703 118.269 0.434 18976 11510 1 14 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.075 -0.023 18976 11511 1 14 . 1 1 50 50 GLU C C 50 180.182 180.182 179.192 0.990 18976 11512 1 14 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.787 0.070 18976 11513 1 14 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.633 -0.265 18976 11514 1 14 . 1 1 50 50 GLU H H 50 7.712 7.712 7.847 -0.135 18976 11515 1 14 . 1 1 51 51 LEU N N 51 120.420 120.420 118.595 1.825 18976 11516 1 14 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.131 -0.037 18976 11517 1 14 . 1 1 51 51 LEU C C 51 178.494 178.494 179.398 -0.904 18976 11518 1 14 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.516 1.163 18976 11519 1 14 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.517 1.540 18976 11520 1 14 . 1 1 51 51 LEU H H 51 8.192 8.192 7.456 0.736 18976 11521 1 14 . 1 1 52 52 GLN N N 52 118.200 118.200 119.209 -1.009 18976 11522 1 14 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.965 -0.127 18976 11523 1 14 . 1 1 52 52 GLN C C 52 178.518 178.518 178.104 0.414 18976 11524 1 14 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.957 -0.760 18976 11525 1 14 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.100 -0.196 18976 11526 1 14 . 1 1 52 52 GLN H H 52 8.212 8.212 7.852 0.360 18976 11527 1 14 . 1 1 53 53 ASP N N 53 119.922 119.922 119.650 0.272 18976 11528 1 14 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.458 -0.028 18976 11529 1 14 . 1 1 53 53 ASP C C 53 178.635 178.635 178.569 0.066 18976 11530 1 14 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.227 0.035 18976 11531 1 14 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.634 -0.672 18976 11532 1 14 . 1 1 53 53 ASP H H 53 8.108 8.108 7.735 0.373 18976 11533 1 14 . 1 1 54 54 MET N N 54 119.290 119.290 118.461 0.829 18976 11534 1 14 . 1 1 54 54 MET HA H 54 4.044 4.044 4.512 -0.468 18976 11535 1 14 . 1 1 54 54 MET C C 54 178.876 178.876 179.147 -0.271 18976 11536 1 14 . 1 1 54 54 MET CA C 54 59.108 59.108 58.823 0.285 18976 11537 1 14 . 1 1 54 54 MET CB C 54 32.930 32.930 32.663 0.267 18976 11538 1 14 . 1 1 54 54 MET H H 54 7.865 7.865 7.376 0.489 18976 11539 1 14 . 1 1 55 55 ILE N N 55 118.056 118.056 121.325 -3.269 18976 11540 1 14 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.655 -0.140 18976 11541 1 14 . 1 1 55 55 ILE C C 55 177.760 177.760 177.634 0.126 18976 11542 1 14 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.028 -0.548 18976 11543 1 14 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.065 -1.085 18976 11544 1 14 . 1 1 55 55 ILE H H 55 7.710 7.710 7.618 0.092 18976 11545 1 14 . 1 1 56 56 ASN N N 56 117.688 117.688 116.551 1.137 18976 11546 1 14 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.447 -0.056 18976 11547 1 14 . 1 1 56 56 ASN C C 56 177.393 177.393 177.010 0.383 18976 11548 1 14 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.712 -0.126 18976 11549 1 14 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.971 -0.316 18976 11550 1 14 . 1 1 56 56 ASN H H 56 8.606 8.606 8.104 0.502 18976 11551 1 14 . 1 1 57 57 GLU N N 57 116.316 116.316 118.110 -1.794 18976 11552 1 14 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.160 -0.117 18976 11553 1 14 . 1 1 57 57 GLU C C 57 177.569 177.569 177.944 -0.375 18976 11554 1 14 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.469 0.163 18976 11555 1 14 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.263 -0.164 18976 11556 1 14 . 1 1 57 57 GLU H H 57 7.580 7.580 7.991 -0.411 18976 11557 1 14 . 1 1 58 58 VAL N N 58 108.390 108.390 111.742 -3.352 18976 11558 1 14 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.067 0.415 18976 11559 1 14 . 1 1 58 58 VAL C C 58 175.749 175.749 175.747 0.002 18976 11560 1 14 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.529 -2.112 18976 11561 1 14 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.041 0.325 18976 11562 1 14 . 1 1 58 58 VAL H H 58 7.219 7.219 7.277 -0.058 18976 11563 1 14 . 1 1 59 59 ASP N N 59 121.728 121.728 121.413 0.315 18976 11564 1 14 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.814 -0.172 18976 11565 1 14 . 1 1 59 59 ASP C C 59 176.219 176.219 176.011 0.208 18976 11566 1 14 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.308 -0.840 18976 11567 1 14 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.066 -1.201 18976 11568 1 14 . 1 1 59 59 ASP H H 59 7.674 7.674 7.624 0.050 18976 11569 1 14 . 1 1 60 60 ALA N N 60 109.214 109.214 130.137 -20.923 18976 11570 1 14 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.173 0.043 18976 11571 1 14 . 1 1 60 60 ALA C C 60 178.626 178.626 178.375 0.251 18976 11572 1 14 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.835 0.150 18976 11573 1 14 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.464 -0.318 18976 11574 1 14 . 1 1 60 60 ALA H H 60 8.481 8.481 8.325 0.156 18976 11575 1 14 . 1 1 61 61 ASP N N 61 113.667 113.667 118.422 -4.755 18976 11576 1 14 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.530 0.093 18976 11577 1 14 . 1 1 61 61 ASP C C 61 177.848 177.848 177.875 -0.027 18976 11578 1 14 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.920 -1.509 18976 11579 1 14 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.857 -1.306 18976 11580 1 14 . 1 1 61 61 ASP H H 61 8.158 8.158 8.174 -0.016 18976 11581 1 14 . 1 1 62 62 GLY N N 62 108.314 108.314 108.946 -0.632 18976 11582 1 14 . 1 1 62 62 GLY C C 62 174.933 174.933 175.026 -0.093 18976 11583 1 14 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.400 1.542 18976 11584 1 14 . 1 1 62 62 GLY H H 62 7.585 7.585 8.363 -0.778 18976 11585 1 14 . 1 1 63 63 ASN N N 63 118.384 118.384 118.374 0.010 18976 11586 1 14 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.770 -0.113 18976 11587 1 14 . 1 1 63 63 ASN C C 63 176.835 176.835 176.678 0.157 18976 11588 1 14 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.420 -0.197 18976 11589 1 14 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.555 -2.189 18976 11590 1 14 . 1 1 63 63 ASN H H 63 8.086 8.086 8.689 -0.603 18976 11591 1 14 . 1 1 64 64 GLY N N 64 113.412 113.412 110.130 3.282 18976 11592 1 14 . 1 1 64 64 GLY C C 64 173.254 173.254 173.329 -0.075 18976 11593 1 14 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.414 -0.017 18976 11594 1 14 . 1 1 64 64 GLY H H 64 10.618 10.618 8.696 1.922 18976 11595 1 14 . 1 1 65 65 THR N N 65 108.877 108.877 113.641 -4.764 18976 11596 1 14 . 1 1 65 65 THR HA H 65 4.766 4.766 4.639 0.127 18976 11597 1 14 . 1 1 65 65 THR C C 65 173.195 173.195 173.286 -0.091 18976 11598 1 14 . 1 1 65 65 THR CA C 65 59.301 59.301 61.450 -2.149 18976 11599 1 14 . 1 1 65 65 THR CB C 65 71.695 71.695 72.609 -0.914 18976 11600 1 14 . 1 1 65 65 THR H H 65 7.684 7.684 8.121 -0.437 18976 11601 1 14 . 1 1 66 66 ILE N N 66 123.673 123.673 124.127 -0.454 18976 11602 1 14 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.399 0.791 18976 11603 1 14 . 1 1 66 66 ILE C C 66 175.529 175.529 174.929 0.600 18976 11604 1 14 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.170 -1.486 18976 11605 1 14 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.242 0.175 18976 11606 1 14 . 1 1 66 66 ILE H H 66 8.912 8.912 8.422 0.490 18976 11607 1 14 . 1 1 67 67 ASP N N 67 128.135 128.135 126.791 1.344 18976 11608 1 14 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.187 0.197 18976 11609 1 14 . 1 1 67 67 ASP C C 67 176.322 176.322 176.539 -0.217 18976 11610 1 14 . 1 1 67 67 ASP CA C 67 51.843 51.843 51.649 0.194 18976 11611 1 14 . 1 1 67 67 ASP CB C 67 41.787 41.787 44.101 -2.314 18976 11612 1 14 . 1 1 67 67 ASP H H 67 8.824 8.824 8.742 0.082 18976 11613 1 14 . 1 1 68 68 PHE N N 68 118.627 118.627 123.175 -4.548 18976 11614 1 14 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.032 -0.008 18976 11615 1 14 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.224 0.946 18976 11616 1 14 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.853 -1.252 18976 11617 1 14 . 1 1 68 68 PHE H H 68 8.943 8.943 8.943 0.000 18976 11618 1 14 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.860 0.016 18976 11619 1 14 . 1 1 69 69 PRO C C 69 180.037 180.037 178.583 1.454 18976 11620 1 14 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.686 0.706 18976 11621 1 14 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.008 -0.634 18976 11622 1 14 . 1 1 70 70 GLU N N 70 117.615 117.615 117.933 -0.318 18976 11623 1 14 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.098 0.010 18976 11624 1 14 . 1 1 70 70 GLU C C 70 178.773 178.773 178.926 -0.153 18976 11625 1 14 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.613 -0.047 18976 11626 1 14 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.136 -0.110 18976 11627 1 14 . 1 1 70 70 GLU H H 70 7.969 7.969 7.680 0.289 18976 11628 1 14 . 1 1 71 71 PHE N N 71 123.460 123.460 121.876 1.584 18976 11629 1 14 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.211 -0.237 18976 11630 1 14 . 1 1 71 71 PHE C C 71 177.041 177.041 176.487 0.554 18976 11631 1 14 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.157 -0.131 18976 11632 1 14 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.440 0.267 18976 11633 1 14 . 1 1 71 71 PHE H H 71 8.861 8.861 8.073 0.788 18976 11634 1 14 . 1 1 72 72 LEU N N 72 118.749 118.749 119.642 -0.893 18976 11635 1 14 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.363 0.005 18976 11636 1 14 . 1 1 72 72 LEU C C 72 178.949 178.949 178.944 0.005 18976 11637 1 14 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.913 -0.317 18976 11638 1 14 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.072 0.670 18976 11639 1 14 . 1 1 72 72 LEU H H 72 8.411 8.411 7.518 0.893 18976 11640 1 14 . 1 1 73 73 THR N N 73 115.213 115.213 110.073 5.140 18976 11641 1 14 . 1 1 73 73 THR HA H 73 3.753 3.753 3.785 -0.032 18976 11642 1 14 . 1 1 73 73 THR C C 73 175.955 175.955 176.482 -0.527 18976 11643 1 14 . 1 1 73 73 THR CA C 73 66.313 66.313 65.143 1.170 18976 11644 1 14 . 1 1 73 73 THR CB C 73 68.075 68.075 68.939 -0.864 18976 11645 1 14 . 1 1 73 73 THR H H 73 7.522 7.522 7.341 0.181 18976 11646 1 14 . 1 1 74 74 MET N N 74 121.455 121.455 123.104 -1.649 18976 11647 1 14 . 1 1 74 74 MET HA H 74 3.773 3.773 4.086 -0.313 18976 11648 1 14 . 1 1 74 74 MET C C 74 178.098 178.098 178.162 -0.064 18976 11649 1 14 . 1 1 74 74 MET CA C 74 58.603 58.603 58.091 0.512 18976 11650 1 14 . 1 1 74 74 MET CB C 74 32.905 32.905 32.472 0.433 18976 11651 1 14 . 1 1 74 74 MET H H 74 7.783 7.783 7.654 0.129 18976 11652 1 14 . 1 1 75 75 MET N N 75 116.557 116.557 116.147 0.410 18976 11653 1 14 . 1 1 75 75 MET HA H 75 3.998 3.998 4.299 -0.301 18976 11654 1 14 . 1 1 75 75 MET C C 75 178.700 178.700 177.955 0.745 18976 11655 1 14 . 1 1 75 75 MET CA C 75 55.472 55.472 57.874 -2.402 18976 11656 1 14 . 1 1 75 75 MET CB C 75 30.693 30.693 31.773 -1.080 18976 11657 1 14 . 1 1 75 75 MET H H 75 8.077 8.077 7.964 0.113 18976 11658 1 14 . 1 1 76 76 ALA N N 76 122.410 122.410 121.797 0.613 18976 11659 1 14 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.000 0.089 18976 11660 1 14 . 1 1 76 76 ALA C C 76 179.683 179.683 178.801 0.882 18976 11661 1 14 . 1 1 76 76 ALA CA C 76 54.376 54.376 53.819 0.557 18976 11662 1 14 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.809 -0.030 18976 11663 1 14 . 1 1 76 76 ALA H H 76 8.303 8.303 7.695 0.608 18976 11664 1 14 . 1 1 77 77 ARG N N 77 116.451 116.451 118.290 -1.839 18976 11665 1 14 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.102 -0.000 18976 11666 1 14 . 1 1 77 77 ARG C C 77 177.701 177.701 177.533 0.168 18976 11667 1 14 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.468 -0.426 18976 11668 1 14 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.280 -0.272 18976 11669 1 14 . 1 1 77 77 ARG H H 77 7.622 7.622 7.476 0.146 18976 11670 1 14 . 1 1 78 78 LYS N N 78 118.021 118.021 117.401 0.620 18976 11671 1 14 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.389 -0.150 18976 11672 1 14 . 1 1 78 78 LYS C C 78 177.525 177.525 177.028 0.497 18976 11673 1 14 . 1 1 78 78 LYS CA C 78 56.721 56.721 56.473 0.248 18976 11674 1 14 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.916 -0.703 18976 11675 1 14 . 1 1 78 78 LYS H H 78 7.577 7.577 7.506 0.071 18976 11676 1 14 . 1 1 79 79 MET N N 79 118.929 118.929 119.326 -0.397 18976 11677 1 14 . 1 1 79 79 MET HA H 79 4.351 4.351 4.407 -0.056 18976 11678 1 14 . 1 1 79 79 MET C C 79 176.322 176.322 175.847 0.475 18976 11679 1 14 . 1 1 79 79 MET CA C 79 56.345 56.345 56.940 -0.595 18976 11680 1 14 . 1 1 79 79 MET CB C 79 32.946 32.946 31.848 1.098 18976 11681 1 14 . 1 1 79 79 MET H H 79 7.772 7.772 7.154 0.618 18976 11682 1 14 . 1 1 80 80 LYS N N 80 120.686 120.686 118.821 1.865 18976 11683 1 14 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.444 -0.117 18976 11684 1 14 . 1 1 80 80 LYS C C 80 176.395 176.395 177.630 -1.235 18976 11685 1 14 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.793 -1.649 18976 11686 1 14 . 1 1 80 80 LYS CB C 80 32.808 32.808 32.738 0.070 18976 11687 1 14 . 1 1 80 80 LYS H H 80 7.955 7.955 7.872 0.083 18976 11688 1 14 . 1 1 81 81 ASP N N 81 121.721 121.721 120.402 1.319 18976 11689 1 14 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.413 0.276 18976 11690 1 14 . 1 1 81 81 ASP C C 81 176.644 176.644 177.476 -0.832 18976 11691 1 14 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.087 -2.801 18976 11692 1 14 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.897 -0.104 18976 11693 1 14 . 1 1 81 81 ASP H H 81 8.341 8.341 8.036 0.305 18976 11694 1 14 . 1 1 82 82 THR N N 82 114.594 114.594 112.497 2.097 18976 11695 1 14 . 1 1 82 82 THR HA H 82 4.323 4.323 4.465 -0.142 18976 11696 1 14 . 1 1 82 82 THR C C 82 174.584 174.584 175.749 -1.165 18976 11697 1 14 . 1 1 82 82 THR CA C 82 61.955 61.955 63.976 -2.021 18976 11698 1 14 . 1 1 82 82 THR CB C 82 69.586 69.586 69.887 -0.301 18976 11699 1 14 . 1 1 82 82 THR H H 82 8.123 8.123 8.291 -0.168 18976 11700 1 14 . 1 1 83 83 ASP N N 83 123.126 123.126 123.464 -0.338 18976 11701 1 14 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.488 0.211 18976 11702 1 14 . 1 1 83 83 ASP C C 83 176.674 176.674 178.005 -1.331 18976 11703 1 14 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.974 -2.483 18976 11704 1 14 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.310 0.730 18976 11705 1 14 . 1 1 83 83 ASP H H 83 8.439 8.439 8.722 -0.283 18976 11706 1 14 . 1 1 84 84 SER N N 84 116.982 116.982 115.910 1.072 18976 11707 1 14 . 1 1 84 84 SER HA H 84 4.458 4.458 4.137 0.321 18976 11708 1 14 . 1 1 84 84 SER C C 84 175.393 175.393 176.150 -0.757 18976 11709 1 14 . 1 1 84 84 SER CA C 84 58.943 58.943 61.412 -2.469 18976 11710 1 14 . 1 1 84 84 SER CB C 84 63.550 63.550 63.055 0.495 18976 11711 1 14 . 1 1 84 84 SER H H 84 8.418 8.418 8.257 0.161 18976 11712 1 14 . 1 1 85 85 GLU N N 85 122.632 122.632 120.763 1.869 18976 11713 1 14 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.042 0.169 18976 11714 1 14 . 1 1 85 85 GLU C C 85 177.716 177.716 178.217 -0.501 18976 11715 1 14 . 1 1 85 85 GLU CA C 85 58.539 58.539 58.932 -0.393 18976 11716 1 14 . 1 1 85 85 GLU CB C 85 29.227 29.227 29.059 0.168 18976 11717 1 14 . 1 1 85 85 GLU H H 85 8.504 8.504 7.893 0.611 18976 11718 1 14 . 1 1 86 86 GLU N N 86 119.077 119.077 119.215 -0.138 18976 11719 1 14 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.990 0.071 18976 11720 1 14 . 1 1 86 86 GLU C C 86 178.885 178.885 178.676 0.209 18976 11721 1 14 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.949 0.416 18976 11722 1 14 . 1 1 86 86 GLU CB C 86 29.065 29.065 28.935 0.130 18976 11723 1 14 . 1 1 86 86 GLU H H 86 8.333 8.333 8.242 0.091 18976 11724 1 14 . 1 1 87 87 GLU N N 87 119.138 119.138 120.165 -1.027 18976 11725 1 14 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.136 0.010 18976 11726 1 14 . 1 1 87 87 GLU C C 87 179.823 179.823 178.845 0.978 18976 11727 1 14 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.705 0.205 18976 11728 1 14 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.754 -0.488 18976 11729 1 14 . 1 1 87 87 GLU H H 87 8.130 8.130 7.727 0.403 18976 11730 1 14 . 1 1 88 88 LEU N N 88 122.103 122.103 121.156 0.947 18976 11731 1 14 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.220 0.171 18976 11732 1 14 . 1 1 88 88 LEU C C 88 178.905 178.905 178.801 0.104 18976 11733 1 14 . 1 1 88 88 LEU CA C 88 57.716 57.716 58.055 -0.339 18976 11734 1 14 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.955 -0.094 18976 11735 1 14 . 1 1 88 88 LEU H H 88 8.152 8.152 7.659 0.493 18976 11736 1 14 . 1 1 89 89 ARG N N 89 120.092 120.092 118.714 1.378 18976 11737 1 14 . 1 1 89 89 ARG HA H 89 4.050 4.050 3.789 0.261 18976 11738 1 14 . 1 1 89 89 ARG C C 89 179.507 179.507 178.780 0.727 18976 11739 1 14 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.874 -0.463 18976 11740 1 14 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.717 -0.257 18976 11741 1 14 . 1 1 89 89 ARG H H 89 8.499 8.499 8.145 0.354 18976 11742 1 14 . 1 1 90 90 GLU N N 90 119.315 119.315 119.537 -0.222 18976 11743 1 14 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.119 0.048 18976 11744 1 14 . 1 1 90 90 GLU C C 90 178.068 178.068 178.477 -0.409 18976 11745 1 14 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.020 -0.430 18976 11746 1 14 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.746 -0.817 18976 11747 1 14 . 1 1 90 90 GLU H H 90 8.040 8.040 7.867 0.173 18976 11748 1 14 . 1 1 91 91 ALA N N 91 121.794 121.794 122.843 -1.049 18976 11749 1 14 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.110 0.101 18976 11750 1 14 . 1 1 91 91 ALA C C 91 179.855 179.855 179.211 0.644 18976 11751 1 14 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.175 -0.449 18976 11752 1 14 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.387 -0.818 18976 11753 1 14 . 1 1 91 91 ALA H H 91 7.996 7.996 8.100 -0.104 18976 11754 1 14 . 1 1 92 92 PHE N N 92 119.368 119.368 119.479 -0.111 18976 11755 1 14 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.839 -0.709 18976 11756 1 14 . 1 1 92 92 PHE C C 92 176.454 176.454 177.208 -0.754 18976 11757 1 14 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.193 0.039 18976 11758 1 14 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.204 -0.277 18976 11759 1 14 . 1 1 92 92 PHE H H 92 8.360 8.360 8.381 -0.021 18976 11760 1 14 . 1 1 93 93 ARG N N 93 117.178 117.178 119.237 -2.059 18976 11761 1 14 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.941 -0.076 18976 11762 1 14 . 1 1 93 93 ARG C C 93 178.421 178.421 177.950 0.471 18976 11763 1 14 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.380 0.461 18976 11764 1 14 . 1 1 93 93 ARG CB C 93 29.906 29.906 29.693 0.213 18976 11765 1 14 . 1 1 93 93 ARG H H 93 7.895 7.895 7.390 0.505 18976 11766 1 14 . 1 1 94 94 VAL N N 94 115.719 115.719 118.429 -2.710 18976 11767 1 14 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.561 0.039 18976 11768 1 14 . 1 1 94 94 VAL C C 94 177.334 177.334 178.567 -1.233 18976 11769 1 14 . 1 1 94 94 VAL CA C 94 65.032 65.032 66.359 -1.327 18976 11770 1 14 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.532 0.012 18976 11771 1 14 . 1 1 94 94 VAL H H 94 7.541 7.541 7.931 -0.390 18976 11772 1 14 . 1 1 95 95 GLU N N 95 117.921 117.921 117.415 0.506 18976 11773 1 14 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.050 -0.042 18976 11774 1 14 . 1 1 95 95 GLU C C 95 176.953 176.953 177.587 -0.634 18976 11775 1 14 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.668 -0.412 18976 11776 1 14 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.689 -1.002 18976 11777 1 14 . 1 1 95 95 GLU H H 95 7.011 7.011 7.899 -0.888 18976 11778 1 14 . 1 1 96 96 ASP N N 96 117.365 117.365 119.659 -2.294 18976 11779 1 14 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.885 -0.435 18976 11780 1 14 . 1 1 96 96 ASP C C 96 177.202 177.202 176.363 0.839 18976 11781 1 14 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.291 -0.818 18976 11782 1 14 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.389 -1.315 18976 11783 1 14 . 1 1 96 96 ASP H H 96 7.626 7.626 7.549 0.077 18976 11784 1 14 . 1 1 97 97 LYS N N 97 124.733 124.733 120.946 3.787 18976 11785 1 14 . 1 1 97 97 LYS HA H 97 3.901 3.901 3.927 -0.026 18976 11786 1 14 . 1 1 97 97 LYS C C 97 178.333 178.333 177.963 0.370 18976 11787 1 14 . 1 1 97 97 LYS CA C 97 58.605 58.605 59.371 -0.766 18976 11788 1 14 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.462 -0.032 18976 11789 1 14 . 1 1 97 97 LYS H H 97 7.357 7.357 7.480 -0.123 18976 11790 1 14 . 1 1 98 98 ASP N N 98 114.048 114.048 116.185 -2.137 18976 11791 1 14 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.396 0.172 18976 11792 1 14 . 1 1 98 98 ASP C C 98 177.775 177.775 177.379 0.396 18976 11793 1 14 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.062 -1.405 18976 11794 1 14 . 1 1 98 98 ASP CB C 98 39.593 39.593 39.682 -0.089 18976 11795 1 14 . 1 1 98 98 ASP H H 98 8.352 8.352 8.228 0.124 18976 11796 1 14 . 1 1 99 99 GLY N N 99 109.454 109.454 109.468 -0.014 18976 11797 1 14 . 1 1 99 99 GLY C C 99 175.082 175.082 174.914 0.168 18976 11798 1 14 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.733 1.094 18976 11799 1 14 . 1 1 99 99 GLY H H 99 7.828 7.828 7.764 0.064 18976 11800 1 14 . 1 1 100 100 ASN N N 100 119.607 119.607 118.228 1.379 18976 11801 1 14 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.754 -0.119 18976 11802 1 14 . 1 1 100 100 ASN C C 100 175.969 175.969 176.477 -0.508 18976 11803 1 14 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.593 -0.110 18976 11804 1 14 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.402 -1.521 18976 11805 1 14 . 1 1 100 100 ASN H H 100 8.334 8.334 8.411 -0.077 18976 11806 1 14 . 1 1 101 101 GLY N N 101 113.007 113.007 107.607 5.400 18976 11807 1 14 . 1 1 101 101 GLY C C 101 172.314 172.314 173.016 -0.702 18976 11808 1 14 . 1 1 101 101 GLY CA C 101 44.682 44.682 44.975 -0.293 18976 11809 1 14 . 1 1 101 101 GLY H H 101 10.640 10.640 8.069 2.571 18976 11810 1 14 . 1 1 102 102 TYR N N 102 115.913 115.913 116.226 -0.313 18976 11811 1 14 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.780 -0.594 18976 11812 1 14 . 1 1 102 102 TYR C C 102 174.736 174.736 173.932 0.804 18976 11813 1 14 . 1 1 102 102 TYR CA C 102 55.662 55.662 54.852 0.810 18976 11814 1 14 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.085 1.716 18976 11815 1 14 . 1 1 102 102 TYR H H 102 7.610 7.610 7.714 -0.104 18976 11816 1 14 . 1 1 103 103 ILE N N 103 127.698 127.698 123.014 4.684 18976 11817 1 14 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.692 0.124 18976 11818 1 14 . 1 1 103 103 ILE C C 103 175.634 175.634 176.282 -0.648 18976 11819 1 14 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.288 1.151 18976 11820 1 14 . 1 1 103 103 ILE CB C 103 38.919 38.919 38.356 0.563 18976 11821 1 14 . 1 1 103 103 ILE H H 103 10.228 10.228 8.375 1.853 18976 11822 1 14 . 1 1 104 104 SER N N 104 123.581 123.581 122.169 1.412 18976 11823 1 14 . 1 1 104 104 SER HA H 104 4.849 4.849 5.388 -0.539 18976 11824 1 14 . 1 1 104 104 SER C C 104 175.191 175.191 175.364 -0.173 18976 11825 1 14 . 1 1 104 104 SER CA C 104 55.499 55.499 56.328 -0.829 18976 11826 1 14 . 1 1 104 104 SER CB C 104 66.371 66.371 66.429 -0.058 18976 11827 1 14 . 1 1 104 104 SER H H 104 8.947 8.947 8.570 0.377 18976 11828 1 14 . 1 1 105 105 ALA N N 105 122.829 122.829 123.849 -1.020 18976 11829 1 14 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.033 -0.104 18976 11830 1 14 . 1 1 105 105 ALA C C 105 179.272 179.272 178.697 0.575 18976 11831 1 14 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.459 0.201 18976 11832 1 14 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.258 -0.574 18976 11833 1 14 . 1 1 105 105 ALA H H 105 9.251 9.251 9.048 0.203 18976 11834 1 14 . 1 1 106 106 ALA N N 106 118.442 118.442 120.015 -1.573 18976 11835 1 14 . 1 1 106 106 ALA HA H 106 4.037 4.037 4.035 0.002 18976 11836 1 14 . 1 1 106 106 ALA C C 106 181.180 181.180 179.706 1.474 18976 11837 1 14 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.723 0.118 18976 11838 1 14 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.231 -0.188 18976 11839 1 14 . 1 1 106 106 ALA H H 106 8.209 8.209 8.226 -0.017 18976 11840 1 14 . 1 1 107 107 GLU N N 107 118.406 118.406 119.369 -0.963 18976 11841 1 14 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.979 0.013 18976 11842 1 14 . 1 1 107 107 GLU C C 107 179.272 179.272 179.107 0.165 18976 11843 1 14 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.146 -0.005 18976 11844 1 14 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.452 -0.696 18976 11845 1 14 . 1 1 107 107 GLU H H 107 7.752 7.752 7.517 0.235 18976 11846 1 14 . 1 1 108 108 LEU N N 108 122.413 122.413 119.526 2.887 18976 11847 1 14 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.977 0.095 18976 11848 1 14 . 1 1 108 108 LEU C C 108 178.553 178.553 179.025 -0.472 18976 11849 1 14 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.969 -0.677 18976 11850 1 14 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.569 -0.126 18976 11851 1 14 . 1 1 108 108 LEU H H 108 8.793 8.793 8.015 0.778 18976 11852 1 14 . 1 1 109 109 ARG N N 109 118.074 118.074 118.658 -0.584 18976 11853 1 14 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.965 -0.108 18976 11854 1 14 . 1 1 109 109 ARG C C 109 179.140 179.140 179.093 0.047 18976 11855 1 14 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.592 0.194 18976 11856 1 14 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.066 -0.242 18976 11857 1 14 . 1 1 109 109 ARG H H 109 8.421 8.421 7.776 0.645 18976 11858 1 14 . 1 1 110 110 ILE N N 110 120.191 120.191 120.145 0.046 18976 11859 1 14 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.864 -0.077 18976 11860 1 14 . 1 1 110 110 ILE C C 110 177.804 177.804 177.572 0.232 18976 11861 1 14 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.035 0.518 18976 11862 1 14 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.363 -0.305 18976 11863 1 14 . 1 1 110 110 ILE H H 110 7.401 7.401 7.508 -0.107 18976 11864 1 14 . 1 1 111 111 VAL N N 111 120.330 120.330 120.653 -0.323 18976 11865 1 14 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.753 0.010 18976 11866 1 14 . 1 1 111 111 VAL C C 111 178.802 178.802 177.546 1.256 18976 11867 1 14 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.541 0.149 18976 11868 1 14 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.936 -0.345 18976 11869 1 14 . 1 1 111 111 VAL H H 111 7.907 7.907 7.803 0.104 18976 11870 1 14 . 1 1 112 112 MET N N 112 116.794 116.794 118.040 -1.246 18976 11871 1 14 . 1 1 112 112 MET HA H 112 4.396 4.396 4.271 0.125 18976 11872 1 14 . 1 1 112 112 MET C C 112 178.890 178.890 178.600 0.290 18976 11873 1 14 . 1 1 112 112 MET CA C 112 56.719 56.719 57.151 -0.432 18976 11874 1 14 . 1 1 112 112 MET CB C 112 30.384 30.384 30.983 -0.599 18976 11875 1 14 . 1 1 112 112 MET H H 112 8.355 8.355 8.209 0.146 18976 11876 1 14 . 1 1 113 113 THR N N 113 117.282 117.282 115.196 2.086 18976 11877 1 14 . 1 1 113 113 THR HA H 113 4.187 4.187 3.987 0.200 18976 11878 1 14 . 1 1 113 113 THR C C 113 178.112 178.112 176.450 1.662 18976 11879 1 14 . 1 1 113 113 THR CA C 113 65.902 65.902 67.007 -1.105 18976 11880 1 14 . 1 1 113 113 THR CB C 113 68.642 68.642 68.237 0.405 18976 11881 1 14 . 1 1 113 113 THR H H 113 8.314 8.314 7.786 0.528 18976 11882 1 14 . 1 1 114 114 ASN N N 114 122.220 122.220 118.631 3.589 18976 11883 1 14 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.556 0.036 18976 11884 1 14 . 1 1 114 114 ASN C C 114 176.644 176.644 177.258 -0.614 18976 11885 1 14 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.902 0.252 18976 11886 1 14 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.815 -1.218 18976 11887 1 14 . 1 1 114 114 ASN H H 114 8.483 8.483 7.642 0.841 18976 11888 1 14 . 1 1 115 115 ARG N N 115 117.970 117.970 117.960 0.010 18976 11889 1 14 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.312 0.117 18976 11890 1 14 . 1 1 115 115 ARG C C 115 176.366 176.366 177.203 -0.837 18976 11891 1 14 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.256 0.143 18976 11892 1 14 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.090 0.410 18976 11893 1 14 . 1 1 115 115 ARG H H 115 7.776 7.776 8.164 -0.388 18976 11894 1 14 . 1 1 116 116 GLY N N 116 107.547 107.547 106.592 0.955 18976 11895 1 14 . 1 1 116 116 GLY C C 116 174.384 174.384 175.004 -0.620 18976 11896 1 14 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.546 -0.339 18976 11897 1 14 . 1 1 116 116 GLY H H 116 7.968 7.968 7.970 -0.002 18976 11898 1 14 . 1 1 117 117 GLU N N 117 119.975 119.975 119.259 0.716 18976 11899 1 14 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.570 -0.164 18976 11900 1 14 . 1 1 117 117 GLU C C 117 175.558 175.558 175.855 -0.297 18976 11901 1 14 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.823 0.354 18976 11902 1 14 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.618 0.782 18976 11903 1 14 . 1 1 117 117 GLU H H 117 7.934 7.934 8.060 -0.126 18976 11904 1 14 . 1 1 118 118 LYS N N 118 124.035 124.035 119.239 4.796 18976 11905 1 14 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.112 0.292 18976 11906 1 14 . 1 1 118 118 LYS C C 118 175.441 175.441 176.223 -0.782 18976 11907 1 14 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.954 -1.687 18976 11908 1 14 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.202 -0.352 18976 11909 1 14 . 1 1 118 118 LYS H H 118 8.626 8.626 7.645 0.981 18976 11910 1 14 . 1 1 119 119 LEU N N 119 124.745 124.745 123.503 1.242 18976 11911 1 14 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.640 0.130 18976 11912 1 14 . 1 1 119 119 LEU C C 119 178.127 178.127 177.628 0.499 18976 11913 1 14 . 1 1 119 119 LEU CA C 119 53.839 53.839 52.814 1.025 18976 11914 1 14 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.999 -0.676 18976 11915 1 14 . 1 1 119 119 LEU H H 119 8.140 8.140 8.016 0.124 18976 11916 1 14 . 1 1 120 120 THR N N 120 114.555 114.555 116.550 -1.995 18976 11917 1 14 . 1 1 120 120 THR HA H 120 4.477 4.477 4.347 0.130 18976 11918 1 14 . 1 1 120 120 THR C C 120 175.514 175.514 175.579 -0.065 18976 11919 1 14 . 1 1 120 120 THR CA C 120 60.613 60.613 62.690 -2.077 18976 11920 1 14 . 1 1 120 120 THR CB C 120 70.902 70.902 69.933 0.969 18976 11921 1 14 . 1 1 120 120 THR H H 120 9.220 9.220 8.323 0.897 18976 11922 1 14 . 1 1 121 121 ASP N N 121 121.128 121.128 123.246 -2.118 18976 11923 1 14 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.196 0.032 18976 11924 1 14 . 1 1 121 121 ASP C C 121 178.655 178.655 178.441 0.214 18976 11925 1 14 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.413 0.339 18976 11926 1 14 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.473 -1.158 18976 11927 1 14 . 1 1 121 121 ASP H H 121 8.921 8.921 8.806 0.115 18976 11928 1 14 . 1 1 122 122 GLU N N 122 119.266 119.266 119.798 -0.532 18976 11929 1 14 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.072 0.047 18976 11930 1 14 . 1 1 122 122 GLU C C 122 179.184 179.184 178.588 0.596 18976 11931 1 14 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.279 0.493 18976 11932 1 14 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.395 -0.529 18976 11933 1 14 . 1 1 122 122 GLU H H 122 8.712 8.712 8.618 0.094 18976 11934 1 14 . 1 1 123 123 GLU N N 123 120.455 120.455 117.337 3.118 18976 11935 1 14 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.372 -0.349 18976 11936 1 14 . 1 1 123 123 GLU C C 123 180.123 180.123 178.979 1.144 18976 11937 1 14 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.757 0.333 18976 11938 1 14 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.553 0.660 18976 11939 1 14 . 1 1 123 123 GLU H H 123 7.763 7.763 8.520 -0.757 18976 11940 1 14 . 1 1 124 124 VAL N N 124 121.726 121.726 115.333 6.393 18976 11941 1 14 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.749 -0.142 18976 11942 1 14 . 1 1 124 124 VAL C C 124 177.337 177.337 177.278 0.059 18976 11943 1 14 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.620 1.112 18976 11944 1 14 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.321 -0.279 18976 11945 1 14 . 1 1 124 124 VAL H H 124 8.119 8.119 8.195 -0.076 18976 11946 1 14 . 1 1 125 125 ASP N N 125 119.880 119.880 120.030 -0.150 18976 11947 1 14 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.411 -0.060 18976 11948 1 14 . 1 1 125 125 ASP C C 125 179.323 179.323 178.158 1.165 18976 11949 1 14 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.387 -0.012 18976 11950 1 14 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.992 -0.880 18976 11951 1 14 . 1 1 125 125 ASP H H 125 8.051 8.051 7.633 0.418 18976 11952 1 14 . 1 1 126 126 GLU N N 126 119.798 119.798 119.643 0.155 18976 11953 1 14 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.007 0.014 18976 11954 1 14 . 1 1 126 126 GLU C C 126 177.966 177.966 179.092 -1.126 18976 11955 1 14 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.300 -0.327 18976 11956 1 14 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.575 -0.491 18976 11957 1 14 . 1 1 126 126 GLU H H 126 8.047 8.047 7.670 0.377 18976 11958 1 14 . 1 1 127 127 MET N N 127 119.443 119.443 118.103 1.340 18976 11959 1 14 . 1 1 127 127 MET HA H 127 4.137 4.137 4.154 -0.017 18976 11960 1 14 . 1 1 127 127 MET C C 127 179.859 179.859 178.853 1.006 18976 11961 1 14 . 1 1 127 127 MET CA C 127 59.137 59.137 59.163 -0.025 18976 11962 1 14 . 1 1 127 127 MET CB C 127 32.239 32.239 32.480 -0.241 18976 11963 1 14 . 1 1 127 127 MET H H 127 7.795 7.795 7.439 0.356 18976 11964 1 14 . 1 1 128 128 ILE N N 128 120.667 120.667 119.557 1.110 18976 11965 1 14 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.695 -0.174 18976 11966 1 14 . 1 1 128 128 ILE C C 128 177.657 177.657 177.903 -0.246 18976 11967 1 14 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.265 -1.453 18976 11968 1 14 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.462 -1.475 18976 11969 1 14 . 1 1 128 128 ILE H H 128 8.158 8.158 7.641 0.517 18976 11970 1 14 . 1 1 129 129 ARG N N 129 119.725 119.725 119.718 0.007 18976 11971 1 14 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.061 0.008 18976 11972 1 14 . 1 1 129 129 ARG C C 129 178.920 178.920 177.704 1.216 18976 11973 1 14 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.853 0.762 18976 11974 1 14 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.284 -0.402 18976 11975 1 14 . 1 1 129 129 ARG H H 129 8.270 8.270 7.669 0.601 18976 11976 1 14 . 1 1 130 130 GLU N N 130 115.236 115.236 117.139 -1.903 18976 11977 1 14 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.158 -0.064 18976 11978 1 14 . 1 1 130 130 GLU C C 130 177.349 177.349 178.364 -1.015 18976 11979 1 14 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.702 -0.802 18976 11980 1 14 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.755 0.068 18976 11981 1 14 . 1 1 130 130 GLU H H 130 7.953 7.953 7.905 0.048 18976 11982 1 14 . 1 1 131 131 THR N N 131 112.585 112.585 113.223 -0.638 18976 11983 1 14 . 1 1 131 131 THR HA H 131 4.239 4.239 4.130 0.109 18976 11984 1 14 . 1 1 131 131 THR C C 131 174.149 174.149 174.270 -0.121 18976 11985 1 14 . 1 1 131 131 THR CA C 131 62.887 62.887 65.608 -2.720 18976 11986 1 14 . 1 1 131 131 THR CB C 131 69.337 69.337 69.759 -0.422 18976 11987 1 14 . 1 1 131 131 THR H H 131 7.465 7.465 7.697 -0.232 18976 11988 1 14 . 1 1 132 132 ASP N N 132 121.237 121.237 119.502 1.735 18976 11989 1 14 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.963 -0.485 18976 11990 1 14 . 1 1 132 132 ASP C C 132 175.777 175.777 177.190 -1.413 18976 11991 1 14 . 1 1 132 132 ASP CA C 132 53.954 53.954 51.836 2.118 18976 11992 1 14 . 1 1 132 132 ASP CB C 132 40.440 40.440 43.297 -2.857 18976 11993 1 14 . 1 1 132 132 ASP H H 132 8.070 8.070 7.884 0.186 18976 11994 1 14 . 1 1 133 133 ILE N N 133 127.244 127.244 117.664 9.580 18976 11995 1 14 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.141 -0.165 18976 11996 1 14 . 1 1 133 133 ILE C C 133 177.628 177.628 175.909 1.719 18976 11997 1 14 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.740 0.126 18976 11998 1 14 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.267 0.211 18976 11999 1 14 . 1 1 133 133 ILE H H 133 8.345 8.345 8.241 0.104 18976 12000 1 14 . 1 1 134 134 ASP N N 134 116.893 116.893 119.403 -2.510 18976 12001 1 14 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.635 -0.102 18976 12002 1 14 . 1 1 134 134 ASP C C 134 178.259 178.259 177.153 1.106 18976 12003 1 14 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.444 0.099 18976 12004 1 14 . 1 1 134 134 ASP CB C 134 39.838 39.838 41.208 -1.369 18976 12005 1 14 . 1 1 134 134 ASP H H 134 8.297 8.297 7.951 0.346 18976 12006 1 14 . 1 1 135 135 GLY N N 135 108.287 108.287 108.244 0.043 18976 12007 1 14 . 1 1 135 135 GLY C C 135 175.250 175.250 175.528 -0.278 18976 12008 1 14 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.221 0.876 18976 12009 1 14 . 1 1 135 135 GLY H H 135 7.623 7.623 8.182 -0.559 18976 12010 1 14 . 1 1 136 136 ASP N N 136 120.541 120.541 119.878 0.663 18976 12011 1 14 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.515 -0.035 18976 12012 1 14 . 1 1 136 136 ASP C C 136 177.584 177.584 177.843 -0.259 18976 12013 1 14 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.270 0.105 18976 12014 1 14 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.796 -0.903 18976 12015 1 14 . 1 1 136 136 ASP H H 136 8.290 8.290 8.312 -0.022 18976 12016 1 14 . 1 1 137 137 GLY N N 137 112.490 112.490 108.546 3.944 18976 12017 1 14 . 1 1 137 137 GLY C C 137 172.828 172.828 173.264 -0.436 18976 12018 1 14 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.329 0.141 18976 12019 1 14 . 1 1 137 137 GLY H H 137 10.224 10.224 8.443 1.781 18976 12020 1 14 . 1 1 138 138 GLN N N 138 115.266 115.266 118.274 -3.008 18976 12021 1 14 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.381 -0.512 18976 12022 1 14 . 1 1 138 138 GLN C C 138 174.677 174.677 174.923 -0.246 18976 12023 1 14 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.227 -1.441 18976 12024 1 14 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.015 -1.272 18976 12025 1 14 . 1 1 138 138 GLN H H 138 7.992 7.992 8.051 -0.059 18976 12026 1 14 . 1 1 139 139 VAL N N 139 125.667 125.667 124.825 0.842 18976 12027 1 14 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.407 0.705 18976 12028 1 14 . 1 1 139 139 VAL C C 139 175.763 175.763 174.968 0.795 18976 12029 1 14 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.130 0.549 18976 12030 1 14 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.967 0.565 18976 12031 1 14 . 1 1 139 139 VAL H H 139 9.227 9.227 8.743 0.484 18976 12032 1 14 . 1 1 140 140 ASN N N 140 128.431 128.431 125.785 2.646 18976 12033 1 14 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.629 -0.355 18976 12034 1 14 . 1 1 140 140 ASN C C 140 175.079 175.079 176.077 -0.998 18976 12035 1 14 . 1 1 140 140 ASN CA C 140 50.666 50.666 52.103 -1.438 18976 12036 1 14 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.642 -3.414 18976 12037 1 14 . 1 1 140 140 ASN H H 140 9.360 9.360 8.951 0.409 18976 12038 1 14 . 1 1 141 141 TYR N N 141 119.146 119.146 122.692 -3.546 18976 12039 1 14 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.730 -0.344 18976 12040 1 14 . 1 1 141 141 TYR C C 141 176.092 176.092 176.856 -0.764 18976 12041 1 14 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.172 -0.114 18976 12042 1 14 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.179 -0.820 18976 12043 1 14 . 1 1 141 141 TYR H H 141 8.451 8.451 9.029 -0.578 18976 12044 1 14 . 1 1 142 142 GLU N N 142 118.431 118.431 118.719 -0.288 18976 12045 1 14 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.929 -0.247 18976 12046 1 14 . 1 1 142 142 GLU C C 142 180.226 180.226 178.261 1.965 18976 12047 1 14 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.459 0.624 18976 12048 1 14 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.295 -0.749 18976 12049 1 14 . 1 1 142 142 GLU H H 142 8.097 8.097 8.599 -0.502 18976 12050 1 14 . 1 1 143 143 GLU N N 143 120.068 120.068 117.988 2.080 18976 12051 1 14 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.217 -0.227 18976 12052 1 14 . 1 1 143 143 GLU C C 143 179.060 179.060 178.983 0.077 18976 12053 1 14 . 1 1 143 143 GLU CA C 143 58.574 58.574 57.898 0.676 18976 12054 1 14 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.391 -0.209 18976 12055 1 14 . 1 1 143 143 GLU H H 143 8.667 8.667 7.933 0.734 18976 12056 1 14 . 1 1 144 144 PHE N N 144 123.392 123.392 122.976 0.416 18976 12057 1 14 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.240 -0.273 18976 12058 1 14 . 1 1 144 144 PHE C C 144 176.982 176.982 176.817 0.165 18976 12059 1 14 . 1 1 144 144 PHE CA C 144 61.446 61.446 60.937 0.509 18976 12060 1 14 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.665 0.030 18976 12061 1 14 . 1 1 144 144 PHE H H 144 8.731 8.731 8.713 0.018 18976 12062 1 14 . 1 1 145 145 VAL N N 145 119.201 119.201 115.116 4.085 18976 12063 1 14 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.523 -0.330 18976 12064 1 14 . 1 1 145 145 VAL C C 145 179.228 179.228 177.756 1.472 18976 12065 1 14 . 1 1 145 145 VAL CA C 145 66.662 66.662 64.941 1.721 18976 12066 1 14 . 1 1 145 145 VAL CB C 145 31.284 31.284 30.478 0.806 18976 12067 1 14 . 1 1 145 145 VAL H H 145 8.671 8.671 7.656 1.015 18976 12068 1 14 . 1 1 146 146 GLN N N 146 119.252 119.252 119.476 -0.224 18976 12069 1 14 . 1 1 146 146 GLN HA H 146 3.916 3.916 4.057 -0.141 18976 12070 1 14 . 1 1 146 146 GLN C C 146 177.825 177.825 177.382 0.443 18976 12071 1 14 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.125 0.442 18976 12072 1 14 . 1 1 146 146 GLN CB C 146 27.820 27.820 27.864 -0.044 18976 12073 1 14 . 1 1 146 146 GLN H H 146 7.767 7.767 7.971 -0.204 18976 12074 1 14 . 1 1 147 147 ARG N N 147 118.529 118.529 118.971 -0.442 18976 12075 1 14 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.178 -0.006 18976 12076 1 14 . 1 1 147 147 ARG C C 147 178.112 178.112 177.620 0.492 18976 12077 1 14 . 1 1 147 147 ARG CA C 147 57.509 57.509 57.562 -0.053 18976 12078 1 14 . 1 1 147 147 ARG CB C 147 30.114 30.114 30.713 -0.599 18976 12079 1 14 . 1 1 147 147 ARG H H 147 7.628 7.628 7.392 0.236 18976 12080 1 14 . 1 1 148 148 MET N N 148 115.755 115.755 114.722 1.033 18976 12081 1 14 . 1 1 148 148 MET HA H 148 4.304 4.304 4.384 -0.080 18976 12082 1 14 . 1 1 148 148 MET C C 148 177.628 177.628 177.555 0.073 18976 12083 1 14 . 1 1 148 148 MET CA C 148 55.489 55.489 56.481 -0.992 18976 12084 1 14 . 1 1 148 148 MET CB C 148 31.773 31.773 32.453 -0.680 18976 12085 1 14 . 1 1 148 148 MET H H 148 8.003 8.003 7.569 0.434 18976 12086 1 14 . 1 1 149 149 THR N N 149 110.062 110.062 113.033 -2.971 18976 12087 1 14 . 1 1 149 149 THR HA H 149 4.349 4.349 4.183 0.166 18976 12088 1 14 . 1 1 149 149 THR C C 149 174.149 174.149 174.629 -0.480 18976 12089 1 14 . 1 1 149 149 THR CA C 149 61.775 61.775 63.094 -1.319 18976 12090 1 14 . 1 1 149 149 THR CB C 149 69.780 69.780 68.982 0.798 18976 12091 1 14 . 1 1 149 149 THR H H 149 7.682 7.682 7.475 0.207 18976 12092 1 14 . 1 1 150 150 ALA N N 150 126.503 126.503 124.379 2.124 18976 12093 1 14 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.017 0.313 18976 12094 1 14 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.671 -0.136 18976 12095 1 14 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.748 -0.014 18976 12096 1 14 . 1 1 150 150 ALA H H 150 7.651 7.651 7.625 0.026 18976 12097 1 15 . 1 1 2 2 LEU HA H 2 4.421 4.421 3.729 0.692 18976 12098 1 15 . 1 1 2 2 LEU C C 2 177.129 177.129 177.446 -0.317 18976 12099 1 15 . 1 1 2 2 LEU CA C 2 55.122 55.122 56.722 -1.600 18976 12100 1 15 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.011 1.442 18976 12101 1 15 . 1 1 2 2 LEU H H 2 8.641 8.641 8.186 0.455 18976 12102 1 15 . 1 1 3 3 MET N N 3 120.143 120.143 116.168 3.975 18976 12103 1 15 . 1 1 3 3 MET HA H 3 4.451 4.451 3.803 0.648 18976 12104 1 15 . 1 1 3 3 MET C C 3 176.835 176.835 177.231 -0.396 18976 12105 1 15 . 1 1 3 3 MET CA C 3 55.160 55.160 57.866 -2.706 18976 12106 1 15 . 1 1 3 3 MET CB C 3 32.584 32.584 30.394 2.190 18976 12107 1 15 . 1 1 3 3 MET H H 3 8.396 8.396 8.190 0.206 18976 12108 1 15 . 1 1 4 4 ALA N N 4 123.344 123.344 123.069 0.275 18976 12109 1 15 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.824 0.236 18976 12110 1 15 . 1 1 4 4 ALA C C 4 177.922 177.922 178.618 -0.696 18976 12111 1 15 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.288 -0.739 18976 12112 1 15 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.404 0.152 18976 12113 1 15 . 1 1 4 4 ALA H H 4 8.396 8.396 7.923 0.473 18976 12114 1 15 . 1 1 5 5 ASP N N 5 116.052 116.052 115.472 0.580 18976 12115 1 15 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.608 -0.099 18976 12116 1 15 . 1 1 5 5 ASP C C 5 176.366 176.366 176.683 -0.317 18976 12117 1 15 . 1 1 5 5 ASP CA C 5 54.623 54.623 54.703 -0.080 18976 12118 1 15 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.089 -0.826 18976 12119 1 15 . 1 1 5 5 ASP H H 5 8.114 8.114 7.791 0.323 18976 12120 1 15 . 1 1 6 6 GLN N N 6 117.717 117.717 117.820 -0.103 18976 12121 1 15 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.551 -0.174 18976 12122 1 15 . 1 1 6 6 GLN C C 6 175.842 175.842 174.683 1.159 18976 12123 1 15 . 1 1 6 6 GLN CA C 6 55.311 55.311 54.694 0.617 18976 12124 1 15 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.204 0.386 18976 12125 1 15 . 1 1 6 6 GLN H H 6 7.935 7.935 7.788 0.147 18976 12126 1 15 . 1 1 7 7 LEU N N 7 121.086 121.086 121.267 -0.181 18976 12127 1 15 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.611 0.065 18976 12128 1 15 . 1 1 7 7 LEU C C 7 177.496 177.496 176.879 0.617 18976 12129 1 15 . 1 1 7 7 LEU CA C 7 54.065 54.065 53.966 0.099 18976 12130 1 15 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.606 0.662 18976 12131 1 15 . 1 1 7 7 LEU H H 7 7.713 7.713 7.780 -0.067 18976 12132 1 15 . 1 1 8 8 THR N N 8 112.688 112.688 118.535 -5.847 18976 12133 1 15 . 1 1 8 8 THR HA H 8 4.475 4.475 4.236 0.239 18976 12134 1 15 . 1 1 8 8 THR C C 8 175.511 175.511 175.630 -0.119 18976 12135 1 15 . 1 1 8 8 THR CA C 8 60.256 60.256 61.565 -1.309 18976 12136 1 15 . 1 1 8 8 THR CB C 8 71.019 71.019 70.777 0.242 18976 12137 1 15 . 1 1 8 8 THR H H 8 8.800 8.800 8.523 0.277 18976 12138 1 15 . 1 1 9 9 GLU N N 9 120.380 120.380 120.563 -0.183 18976 12139 1 15 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.003 -0.023 18976 12140 1 15 . 1 1 9 9 GLU C C 9 179.492 179.492 178.572 0.920 18976 12141 1 15 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.993 -0.068 18976 12142 1 15 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.677 -0.752 18976 12143 1 15 . 1 1 9 9 GLU H H 9 9.040 9.040 8.904 0.136 18976 12144 1 15 . 1 1 10 10 GLU N N 10 119.361 119.361 117.741 1.620 18976 12145 1 15 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.047 0.027 18976 12146 1 15 . 1 1 10 10 GLU C C 10 179.185 179.185 178.877 0.308 18976 12147 1 15 . 1 1 10 10 GLU CA C 10 59.767 59.767 58.850 0.917 18976 12148 1 15 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.741 0.056 18976 12149 1 15 . 1 1 10 10 GLU H H 10 8.729 8.729 8.726 0.003 18976 12150 1 15 . 1 1 11 11 GLN N N 11 120.302 120.302 119.596 0.706 18976 12151 1 15 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.227 -0.359 18976 12152 1 15 . 1 1 11 11 GLN C C 11 178.318 178.318 178.575 -0.257 18976 12153 1 15 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.242 0.142 18976 12154 1 15 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.732 0.153 18976 12155 1 15 . 1 1 11 11 GLN H H 11 7.747 7.747 7.598 0.149 18976 12156 1 15 . 1 1 12 12 ILE N N 12 119.533 119.533 121.521 -1.988 18976 12157 1 15 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.910 -0.192 18976 12158 1 15 . 1 1 12 12 ILE C C 12 177.731 177.731 178.225 -0.494 18976 12159 1 15 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.930 0.030 18976 12160 1 15 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.862 -0.351 18976 12161 1 15 . 1 1 12 12 ILE H H 12 8.456 8.456 8.052 0.404 18976 12162 1 15 . 1 1 13 13 ALA N N 13 121.161 121.161 121.915 -0.754 18976 12163 1 15 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.860 0.279 18976 12164 1 15 . 1 1 13 13 ALA C C 13 181.019 181.019 179.699 1.320 18976 12165 1 15 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.581 -0.458 18976 12166 1 15 . 1 1 13 13 ALA CB C 13 17.504 17.504 17.978 -0.474 18976 12167 1 15 . 1 1 13 13 ALA H H 13 8.018 8.018 8.217 -0.199 18976 12168 1 15 . 1 1 14 14 GLU N N 14 119.619 119.619 118.434 1.185 18976 12169 1 15 . 1 1 14 14 GLU HA H 14 4.164 4.164 3.952 0.212 18976 12170 1 15 . 1 1 14 14 GLU C C 14 180.534 180.534 179.326 1.208 18976 12171 1 15 . 1 1 14 14 GLU CA C 14 59.124 59.124 59.060 0.064 18976 12172 1 15 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.157 -0.304 18976 12173 1 15 . 1 1 14 14 GLU H H 14 7.792 7.792 7.683 0.109 18976 12174 1 15 . 1 1 15 15 PHE N N 15 120.089 120.089 117.854 2.235 18976 12175 1 15 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.525 0.539 18976 12176 1 15 . 1 1 15 15 PHE C C 15 178.700 178.700 178.166 0.534 18976 12177 1 15 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.310 -2.453 18976 12178 1 15 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.978 -1.502 18976 12179 1 15 . 1 1 15 15 PHE H H 15 8.587 8.587 8.050 0.537 18976 12180 1 15 . 1 1 16 16 LYS N N 16 123.715 123.715 120.146 3.569 18976 12181 1 15 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.299 -0.254 18976 12182 1 15 . 1 1 16 16 LYS C C 16 179.327 179.327 178.995 0.332 18976 12183 1 15 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.502 0.368 18976 12184 1 15 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.779 -0.206 18976 12185 1 15 . 1 1 16 16 LYS H H 16 9.256 9.256 8.729 0.527 18976 12186 1 15 . 1 1 17 17 GLU N N 17 120.262 120.262 120.691 -0.429 18976 12187 1 15 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.130 0.026 18976 12188 1 15 . 1 1 17 17 GLU C C 17 179.456 179.456 178.970 0.486 18976 12189 1 15 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.177 -0.170 18976 12190 1 15 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.125 -0.316 18976 12191 1 15 . 1 1 17 17 GLU H H 17 7.774 7.774 8.035 -0.261 18976 12192 1 15 . 1 1 18 18 ALA N N 18 122.590 122.590 121.685 0.905 18976 12193 1 15 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.272 0.043 18976 12194 1 15 . 1 1 18 18 ALA C C 18 179.060 179.060 179.920 -0.860 18976 12195 1 15 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.917 -0.088 18976 12196 1 15 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.657 -0.859 18976 12197 1 15 . 1 1 18 18 ALA H H 18 8.001 8.001 7.677 0.324 18976 12198 1 15 . 1 1 19 19 PHE N N 19 119.363 119.363 118.559 0.804 18976 12199 1 15 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.892 -0.658 18976 12200 1 15 . 1 1 19 19 PHE C C 19 177.290 177.290 177.333 -0.043 18976 12201 1 15 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.895 0.862 18976 12202 1 15 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.127 0.011 18976 12203 1 15 . 1 1 19 19 PHE H H 19 8.859 8.859 8.422 0.437 18976 12204 1 15 . 1 1 20 20 SER N N 20 112.556 112.556 114.920 -2.364 18976 12205 1 15 . 1 1 20 20 SER HA H 20 4.142 4.142 4.134 0.008 18976 12206 1 15 . 1 1 20 20 SER C C 20 174.955 174.955 175.676 -0.721 18976 12207 1 15 . 1 1 20 20 SER CA C 20 61.007 61.007 62.478 -1.472 18976 12208 1 15 . 1 1 20 20 SER CB C 20 62.960 62.960 63.417 -0.457 18976 12209 1 15 . 1 1 20 20 SER H H 20 7.934 7.934 8.119 -0.185 18976 12210 1 15 . 1 1 21 21 LEU N N 21 120.816 120.816 117.792 3.024 18976 12211 1 15 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.241 -0.225 18976 12212 1 15 . 1 1 21 21 LEU C C 21 178.010 178.010 177.979 0.031 18976 12213 1 15 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.242 -0.447 18976 12214 1 15 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.375 -0.243 18976 12215 1 15 . 1 1 21 21 LEU H H 21 7.434 7.434 7.266 0.168 18976 12216 1 15 . 1 1 22 22 PHE N N 22 115.049 115.049 119.917 -4.868 18976 12217 1 15 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.273 -0.029 18976 12218 1 15 . 1 1 22 22 PHE C C 22 176.762 176.762 176.030 0.732 18976 12219 1 15 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.301 -1.281 18976 12220 1 15 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.857 0.873 18976 12221 1 15 . 1 1 22 22 PHE H H 22 7.326 7.326 7.760 -0.434 18976 12222 1 15 . 1 1 23 23 ASP N N 23 117.496 117.496 118.591 -1.095 18976 12223 1 15 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.873 -0.322 18976 12224 1 15 . 1 1 23 23 ASP C C 23 177.167 177.167 176.010 1.157 18976 12225 1 15 . 1 1 23 23 ASP CA C 23 52.041 52.041 52.944 -0.903 18976 12226 1 15 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.576 -0.978 18976 12227 1 15 . 1 1 23 23 ASP H H 23 7.851 7.851 7.905 -0.054 18976 12228 1 15 . 1 1 24 24 LYS N N 24 124.470 124.470 123.211 1.259 18976 12229 1 15 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.976 0.008 18976 12230 1 15 . 1 1 24 24 LYS C C 24 178.127 178.127 177.866 0.261 18976 12231 1 15 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.663 -0.505 18976 12232 1 15 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.576 -0.193 18976 12233 1 15 . 1 1 24 24 LYS H H 24 7.687 7.687 7.818 -0.131 18976 12234 1 15 . 1 1 25 25 ASP N N 25 113.822 113.822 115.995 -2.173 18976 12235 1 15 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.472 0.134 18976 12236 1 15 . 1 1 25 25 ASP C C 25 177.687 177.687 177.250 0.437 18976 12237 1 15 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.035 -1.576 18976 12238 1 15 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.325 -1.133 18976 12239 1 15 . 1 1 25 25 ASP H H 25 8.067 8.067 7.877 0.190 18976 12240 1 15 . 1 1 26 26 GLY N N 26 109.208 109.208 108.906 0.302 18976 12241 1 15 . 1 1 26 26 GLY C C 26 175.132 175.132 174.844 0.288 18976 12242 1 15 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.532 1.342 18976 12243 1 15 . 1 1 26 26 GLY H H 26 7.698 7.698 7.804 -0.106 18976 12244 1 15 . 1 1 27 27 ASP N N 27 120.603 120.603 119.656 0.947 18976 12245 1 15 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.638 -0.115 18976 12246 1 15 . 1 1 27 27 ASP C C 27 177.452 177.452 177.656 -0.204 18976 12247 1 15 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.070 0.423 18976 12248 1 15 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.276 -1.028 18976 12249 1 15 . 1 1 27 27 ASP H H 27 8.397 8.397 8.540 -0.143 18976 12250 1 15 . 1 1 28 28 GLY N N 28 113.187 113.187 109.636 3.551 18976 12251 1 15 . 1 1 28 28 GLY C C 28 173.679 173.679 173.808 -0.129 18976 12252 1 15 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.508 -0.327 18976 12253 1 15 . 1 1 28 28 GLY H H 28 10.648 10.648 8.405 2.243 18976 12254 1 15 . 1 1 29 29 THR N N 29 112.865 112.865 110.672 2.193 18976 12255 1 15 . 1 1 29 29 THR HA H 29 5.310 5.310 5.259 0.051 18976 12256 1 15 . 1 1 29 29 THR C C 29 172.872 172.872 173.371 -0.499 18976 12257 1 15 . 1 1 29 29 THR CA C 29 59.764 59.764 60.888 -1.124 18976 12258 1 15 . 1 1 29 29 THR CB C 29 72.319 72.319 71.598 0.721 18976 12259 1 15 . 1 1 29 29 THR H H 29 8.144 8.144 8.355 -0.211 18976 12260 1 15 . 1 1 30 30 ILE N N 30 127.035 127.035 127.688 -0.653 18976 12261 1 15 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.487 0.493 18976 12262 1 15 . 1 1 30 30 ILE C C 30 176.072 176.072 176.651 -0.579 18976 12263 1 15 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.778 -0.634 18976 12264 1 15 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.597 1.704 18976 12265 1 15 . 1 1 30 30 ILE H H 30 9.821 9.821 8.929 0.892 18976 12266 1 15 . 1 1 31 31 THR N N 31 116.509 116.509 120.044 -3.535 18976 12267 1 15 . 1 1 31 31 THR HA H 31 4.800 4.800 4.642 0.158 18976 12268 1 15 . 1 1 31 31 THR C C 31 176.542 176.542 176.586 -0.044 18976 12269 1 15 . 1 1 31 31 THR CA C 31 59.396 59.396 61.081 -1.685 18976 12270 1 15 . 1 1 31 31 THR CB C 31 72.162 72.162 70.004 2.158 18976 12271 1 15 . 1 1 31 31 THR H H 31 8.469 8.469 8.778 -0.309 18976 12272 1 15 . 1 1 32 32 THR N N 32 112.790 112.790 114.131 -1.341 18976 12273 1 15 . 1 1 32 32 THR HA H 32 3.803 3.803 3.862 -0.059 18976 12274 1 15 . 1 1 32 32 THR C C 32 177.188 177.188 176.760 0.428 18976 12275 1 15 . 1 1 32 32 THR CA C 32 66.253 66.253 66.894 -0.642 18976 12276 1 15 . 1 1 32 32 THR CB C 32 67.459 67.459 68.665 -1.206 18976 12277 1 15 . 1 1 32 32 THR H H 32 9.128 9.128 8.956 0.172 18976 12278 1 15 . 1 1 33 33 LYS N N 33 120.844 120.844 121.131 -0.287 18976 12279 1 15 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.923 0.225 18976 12280 1 15 . 1 1 33 33 LYS C C 33 179.880 179.880 178.648 1.232 18976 12281 1 15 . 1 1 33 33 LYS CA C 33 58.939 58.939 60.116 -1.177 18976 12282 1 15 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.205 0.030 18976 12283 1 15 . 1 1 33 33 LYS H H 33 7.695 7.695 8.431 -0.736 18976 12284 1 15 . 1 1 34 34 GLU N N 34 121.463 121.463 118.601 2.862 18976 12285 1 15 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.145 -0.077 18976 12286 1 15 . 1 1 34 34 GLU C C 34 179.140 179.140 179.549 -0.409 18976 12287 1 15 . 1 1 34 34 GLU CA C 34 59.139 59.139 58.739 0.400 18976 12288 1 15 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.701 -0.156 18976 12289 1 15 . 1 1 34 34 GLU H H 34 7.687 7.687 7.572 0.115 18976 12290 1 15 . 1 1 35 35 LEU N N 35 120.583 120.583 121.459 -0.876 18976 12291 1 15 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.334 -0.211 18976 12292 1 15 . 1 1 35 35 LEU C C 35 178.934 178.934 178.934 0.000 18976 12293 1 15 . 1 1 35 35 LEU CA C 35 57.827 57.827 58.207 -0.380 18976 12294 1 15 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.923 0.457 18976 12295 1 15 . 1 1 35 35 LEU H H 35 8.745 8.745 8.349 0.396 18976 12296 1 15 . 1 1 36 36 GLY N N 36 128.127 128.127 105.591 22.536 18976 12297 1 15 . 1 1 36 36 GLY C C 36 175.177 175.177 176.050 -0.873 18976 12298 1 15 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.418 0.585 18976 12299 1 15 . 1 1 36 36 GLY H H 36 8.670 8.670 8.318 0.352 18976 12300 1 15 . 1 1 37 37 THR N N 37 117.925 117.925 118.970 -1.045 18976 12301 1 15 . 1 1 37 37 THR HA H 37 3.938 3.938 3.921 0.017 18976 12302 1 15 . 1 1 37 37 THR C C 37 177.137 177.137 176.631 0.506 18976 12303 1 15 . 1 1 37 37 THR CA C 37 66.648 66.648 66.231 0.417 18976 12304 1 15 . 1 1 37 37 THR CB C 37 68.383 68.383 68.877 -0.494 18976 12305 1 15 . 1 1 37 37 THR H H 37 7.930 7.930 7.802 0.128 18976 12306 1 15 . 1 1 38 38 VAL N N 38 122.046 122.046 121.819 0.227 18976 12307 1 15 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.557 -0.034 18976 12308 1 15 . 1 1 38 38 VAL C C 38 179.243 179.243 177.558 1.685 18976 12309 1 15 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.323 -0.361 18976 12310 1 15 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.962 0.108 18976 12311 1 15 . 1 1 38 38 VAL H H 38 7.643 7.643 7.341 0.302 18976 12312 1 15 . 1 1 39 39 MET N N 39 118.442 118.442 118.182 0.260 18976 12313 1 15 . 1 1 39 39 MET HA H 39 4.133 4.133 4.060 0.073 18976 12314 1 15 . 1 1 39 39 MET C C 39 179.125 179.125 178.402 0.723 18976 12315 1 15 . 1 1 39 39 MET CA C 39 58.886 58.886 59.280 -0.394 18976 12316 1 15 . 1 1 39 39 MET CB C 39 31.211 31.211 32.462 -1.251 18976 12317 1 15 . 1 1 39 39 MET H H 39 8.497 8.497 7.982 0.515 18976 12318 1 15 . 1 1 40 40 ARG N N 40 118.929 118.929 119.094 -0.165 18976 12319 1 15 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.413 0.420 18976 12320 1 15 . 1 1 40 40 ARG C C 40 181.224 181.224 178.119 3.105 18976 12321 1 15 . 1 1 40 40 ARG CA C 40 58.886 58.886 58.974 -0.088 18976 12322 1 15 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.273 -1.438 18976 12323 1 15 . 1 1 40 40 ARG H H 40 8.536 8.536 7.858 0.678 18976 12324 1 15 . 1 1 41 41 SER N N 41 118.832 118.832 115.129 3.703 18976 12325 1 15 . 1 1 41 41 SER HA H 41 4.425 4.425 4.255 0.170 18976 12326 1 15 . 1 1 41 41 SER C C 41 174.839 174.839 175.409 -0.570 18976 12327 1 15 . 1 1 41 41 SER CA C 41 61.249 61.249 60.891 0.358 18976 12328 1 15 . 1 1 41 41 SER CB C 41 62.464 62.464 63.032 -0.568 18976 12329 1 15 . 1 1 41 41 SER H H 41 7.925 7.925 7.308 0.617 18976 12330 1 15 . 1 1 42 42 LEU N N 42 120.676 120.676 120.025 0.651 18976 12331 1 15 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.431 0.086 18976 12332 1 15 . 1 1 42 42 LEU C C 42 177.540 177.540 177.324 0.216 18976 12333 1 15 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.487 -0.255 18976 12334 1 15 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.689 -0.019 18976 12335 1 15 . 1 1 42 42 LEU H H 42 7.395 7.395 7.546 -0.151 18976 12336 1 15 . 1 1 43 43 GLY N N 43 106.840 106.840 106.261 0.579 18976 12337 1 15 . 1 1 43 43 GLY C C 43 174.384 174.384 174.796 -0.412 18976 12338 1 15 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.960 0.348 18976 12339 1 15 . 1 1 43 43 GLY H H 43 7.885 7.885 7.462 0.423 18976 12340 1 15 . 1 1 44 44 GLN N N 44 118.414 118.414 120.903 -2.489 18976 12341 1 15 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.412 0.090 18976 12342 1 15 . 1 1 44 44 GLN C C 44 174.134 174.134 174.726 -0.592 18976 12343 1 15 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.926 -0.742 18976 12344 1 15 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.724 0.550 18976 12345 1 15 . 1 1 44 44 GLN H H 44 7.805 7.805 7.987 -0.182 18976 12346 1 15 . 1 1 45 45 ASN N N 45 116.265 116.265 120.713 -4.448 18976 12347 1 15 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.988 0.213 18976 12348 1 15 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.440 0.517 18976 12349 1 15 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.114 0.796 18976 12350 1 15 . 1 1 45 45 ASN H H 45 8.733 8.733 8.557 0.176 18976 12351 1 15 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.681 0.106 18976 12352 1 15 . 1 1 46 46 PRO C C 46 177.745 177.745 176.505 1.240 18976 12353 1 15 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.395 -0.290 18976 12354 1 15 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.906 -1.203 18976 12355 1 15 . 1 1 47 47 THR N N 47 112.958 112.958 118.770 -5.812 18976 12356 1 15 . 1 1 47 47 THR HA H 47 4.451 4.451 4.412 0.039 18976 12357 1 15 . 1 1 47 47 THR C C 47 175.159 175.159 176.018 -0.859 18976 12358 1 15 . 1 1 47 47 THR CA C 47 60.078 60.078 60.971 -0.893 18976 12359 1 15 . 1 1 47 47 THR CB C 47 71.001 71.001 70.434 0.567 18976 12360 1 15 . 1 1 47 47 THR H H 47 8.767 8.767 8.376 0.391 18976 12361 1 15 . 1 1 48 48 GLU N N 48 120.607 120.607 124.616 -4.009 18976 12362 1 15 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.951 0.055 18976 12363 1 15 . 1 1 48 48 GLU C C 48 178.949 178.949 178.441 0.508 18976 12364 1 15 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.948 -0.207 18976 12365 1 15 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.004 -0.312 18976 12366 1 15 . 1 1 48 48 GLU H H 48 8.824 8.824 9.016 -0.192 18976 12367 1 15 . 1 1 49 49 ALA N N 49 120.678 120.678 121.403 -0.725 18976 12368 1 15 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.181 -0.062 18976 12369 1 15 . 1 1 49 49 ALA C C 49 180.226 180.226 179.883 0.343 18976 12370 1 15 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.890 -0.174 18976 12371 1 15 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.174 -0.301 18976 12372 1 15 . 1 1 49 49 ALA H H 49 8.279 8.279 8.360 -0.081 18976 12373 1 15 . 1 1 50 50 GLU N N 50 118.703 118.703 119.883 -1.180 18976 12374 1 15 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.089 -0.037 18976 12375 1 15 . 1 1 50 50 GLU C C 50 180.182 180.182 178.928 1.254 18976 12376 1 15 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.319 -0.463 18976 12377 1 15 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.661 -0.293 18976 12378 1 15 . 1 1 50 50 GLU H H 50 7.712 7.712 7.671 0.041 18976 12379 1 15 . 1 1 51 51 LEU N N 51 120.420 120.420 119.429 0.991 18976 12380 1 15 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.054 0.040 18976 12381 1 15 . 1 1 51 51 LEU C C 51 178.494 178.494 179.273 -0.779 18976 12382 1 15 . 1 1 51 51 LEU CA C 51 57.679 57.679 57.444 0.235 18976 12383 1 15 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.383 1.673 18976 12384 1 15 . 1 1 51 51 LEU H H 51 8.192 8.192 7.659 0.533 18976 12385 1 15 . 1 1 52 52 GLN N N 52 118.200 118.200 119.063 -0.863 18976 12386 1 15 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.908 -0.070 18976 12387 1 15 . 1 1 52 52 GLN C C 52 178.518 178.518 178.319 0.199 18976 12388 1 15 . 1 1 52 52 GLN CA C 52 58.197 58.197 59.518 -1.321 18976 12389 1 15 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.186 -0.282 18976 12390 1 15 . 1 1 52 52 GLN H H 52 8.212 8.212 8.225 -0.013 18976 12391 1 15 . 1 1 53 53 ASP N N 53 119.922 119.922 120.056 -0.134 18976 12392 1 15 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.482 -0.052 18976 12393 1 15 . 1 1 53 53 ASP C C 53 178.635 178.635 178.658 -0.023 18976 12394 1 15 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.166 0.096 18976 12395 1 15 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.954 -0.992 18976 12396 1 15 . 1 1 53 53 ASP H H 53 8.108 8.108 7.690 0.418 18976 12397 1 15 . 1 1 54 54 MET N N 54 119.290 119.290 118.180 1.110 18976 12398 1 15 . 1 1 54 54 MET HA H 54 4.044 4.044 4.439 -0.395 18976 12399 1 15 . 1 1 54 54 MET C C 54 178.876 178.876 178.900 -0.024 18976 12400 1 15 . 1 1 54 54 MET CA C 54 59.108 59.108 58.881 0.227 18976 12401 1 15 . 1 1 54 54 MET CB C 54 32.930 32.930 32.734 0.196 18976 12402 1 15 . 1 1 54 54 MET H H 54 7.865 7.865 7.836 0.029 18976 12403 1 15 . 1 1 55 55 ILE N N 55 118.056 118.056 121.490 -3.434 18976 12404 1 15 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.524 -0.009 18976 12405 1 15 . 1 1 55 55 ILE C C 55 177.760 177.760 177.598 0.162 18976 12406 1 15 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.470 -0.990 18976 12407 1 15 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.946 -0.966 18976 12408 1 15 . 1 1 55 55 ILE H H 55 7.710 7.710 7.871 -0.161 18976 12409 1 15 . 1 1 56 56 ASN N N 56 117.688 117.688 115.453 2.235 18976 12410 1 15 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.464 -0.072 18976 12411 1 15 . 1 1 56 56 ASN C C 56 177.393 177.393 176.649 0.744 18976 12412 1 15 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.548 0.038 18976 12413 1 15 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.274 -0.619 18976 12414 1 15 . 1 1 56 56 ASN H H 56 8.606 8.606 7.917 0.689 18976 12415 1 15 . 1 1 57 57 GLU N N 57 116.316 116.316 117.691 -1.375 18976 12416 1 15 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.208 -0.165 18976 12417 1 15 . 1 1 57 57 GLU C C 57 177.569 177.569 177.764 -0.195 18976 12418 1 15 . 1 1 57 57 GLU CA C 57 58.632 58.632 57.975 0.657 18976 12419 1 15 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.431 -0.332 18976 12420 1 15 . 1 1 57 57 GLU H H 57 7.580 7.580 7.958 -0.378 18976 12421 1 15 . 1 1 58 58 VAL N N 58 108.390 108.390 112.012 -3.622 18976 12422 1 15 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.252 0.230 18976 12423 1 15 . 1 1 58 58 VAL C C 58 175.749 175.749 175.744 0.005 18976 12424 1 15 . 1 1 58 58 VAL CA C 58 60.417 60.417 61.828 -1.411 18976 12425 1 15 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.676 -0.310 18976 12426 1 15 . 1 1 58 58 VAL H H 58 7.219 7.219 7.435 -0.216 18976 12427 1 15 . 1 1 59 59 ASP N N 59 121.728 121.728 121.334 0.394 18976 12428 1 15 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.895 -0.253 18976 12429 1 15 . 1 1 59 59 ASP C C 59 176.219 176.219 175.859 0.360 18976 12430 1 15 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.252 -0.784 18976 12431 1 15 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.366 -1.501 18976 12432 1 15 . 1 1 59 59 ASP H H 59 7.674 7.674 7.907 -0.233 18976 12433 1 15 . 1 1 60 60 ALA N N 60 109.214 109.214 130.541 -21.327 18976 12434 1 15 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.136 0.080 18976 12435 1 15 . 1 1 60 60 ALA C C 60 178.626 178.626 178.430 0.196 18976 12436 1 15 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.075 -0.090 18976 12437 1 15 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.604 -0.458 18976 12438 1 15 . 1 1 60 60 ALA H H 60 8.481 8.481 8.379 0.102 18976 12439 1 15 . 1 1 61 61 ASP N N 61 113.667 113.667 115.940 -2.273 18976 12440 1 15 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.580 0.043 18976 12441 1 15 . 1 1 61 61 ASP C C 61 177.848 177.848 177.674 0.174 18976 12442 1 15 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.623 -1.212 18976 12443 1 15 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.009 -1.458 18976 12444 1 15 . 1 1 61 61 ASP H H 61 8.158 8.158 8.052 0.106 18976 12445 1 15 . 1 1 62 62 GLY N N 62 108.314 108.314 109.298 -0.984 18976 12446 1 15 . 1 1 62 62 GLY C C 62 174.933 174.933 175.418 -0.485 18976 12447 1 15 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.837 1.105 18976 12448 1 15 . 1 1 62 62 GLY H H 62 7.585 7.585 8.271 -0.686 18976 12449 1 15 . 1 1 63 63 ASN N N 63 118.384 118.384 119.186 -0.802 18976 12450 1 15 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.684 -0.027 18976 12451 1 15 . 1 1 63 63 ASN C C 63 176.835 176.835 176.696 0.139 18976 12452 1 15 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.825 -0.602 18976 12453 1 15 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.070 -1.704 18976 12454 1 15 . 1 1 63 63 ASN H H 63 8.086 8.086 8.471 -0.385 18976 12455 1 15 . 1 1 64 64 GLY N N 64 113.412 113.412 109.648 3.764 18976 12456 1 15 . 1 1 64 64 GLY C C 64 173.254 173.254 173.180 0.074 18976 12457 1 15 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.253 0.144 18976 12458 1 15 . 1 1 64 64 GLY H H 64 10.618 10.618 8.164 2.454 18976 12459 1 15 . 1 1 65 65 THR N N 65 108.877 108.877 113.532 -4.655 18976 12460 1 15 . 1 1 65 65 THR HA H 65 4.766 4.766 4.649 0.117 18976 12461 1 15 . 1 1 65 65 THR C C 65 173.195 173.195 173.318 -0.123 18976 12462 1 15 . 1 1 65 65 THR CA C 65 59.301 59.301 61.547 -2.246 18976 12463 1 15 . 1 1 65 65 THR CB C 65 71.695 71.695 72.527 -0.832 18976 12464 1 15 . 1 1 65 65 THR H H 65 7.684 7.684 8.006 -0.322 18976 12465 1 15 . 1 1 66 66 ILE N N 66 123.673 123.673 125.710 -2.037 18976 12466 1 15 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.525 0.665 18976 12467 1 15 . 1 1 66 66 ILE C C 66 175.529 175.529 175.669 -0.140 18976 12468 1 15 . 1 1 66 66 ILE CA C 66 59.684 59.684 60.970 -1.286 18976 12469 1 15 . 1 1 66 66 ILE CB C 66 39.417 39.417 37.786 1.631 18976 12470 1 15 . 1 1 66 66 ILE H H 66 8.912 8.912 8.472 0.440 18976 12471 1 15 . 1 1 67 67 ASP N N 67 128.135 128.135 128.598 -0.463 18976 12472 1 15 . 1 1 67 67 ASP HA H 67 5.384 5.384 4.789 0.595 18976 12473 1 15 . 1 1 67 67 ASP C C 67 176.322 176.322 176.980 -0.658 18976 12474 1 15 . 1 1 67 67 ASP CA C 67 51.843 51.843 55.606 -3.763 18976 12475 1 15 . 1 1 67 67 ASP CB C 67 41.787 41.787 41.558 0.229 18976 12476 1 15 . 1 1 67 67 ASP H H 67 8.824 8.824 8.601 0.223 18976 12477 1 15 . 1 1 68 68 PHE N N 68 118.627 118.627 123.379 -4.752 18976 12478 1 15 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.875 0.149 18976 12479 1 15 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.798 0.372 18976 12480 1 15 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.050 -1.448 18976 12481 1 15 . 1 1 68 68 PHE H H 68 8.943 8.943 9.146 -0.203 18976 12482 1 15 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.981 -0.105 18976 12483 1 15 . 1 1 69 69 PRO C C 69 180.037 180.037 178.448 1.589 18976 12484 1 15 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.512 0.880 18976 12485 1 15 . 1 1 69 69 PRO CB C 69 30.374 30.374 31.028 -0.654 18976 12486 1 15 . 1 1 70 70 GLU N N 70 117.615 117.615 117.982 -0.367 18976 12487 1 15 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.145 -0.037 18976 12488 1 15 . 1 1 70 70 GLU C C 70 178.773 178.773 178.739 0.034 18976 12489 1 15 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.382 0.184 18976 12490 1 15 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.290 -0.264 18976 12491 1 15 . 1 1 70 70 GLU H H 70 7.969 7.969 7.729 0.240 18976 12492 1 15 . 1 1 71 71 PHE N N 71 123.460 123.460 122.126 1.334 18976 12493 1 15 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.158 -0.184 18976 12494 1 15 . 1 1 71 71 PHE C C 71 177.041 177.041 176.217 0.824 18976 12495 1 15 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.147 -0.120 18976 12496 1 15 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.287 0.420 18976 12497 1 15 . 1 1 71 71 PHE H H 71 8.861 8.861 7.914 0.947 18976 12498 1 15 . 1 1 72 72 LEU N N 72 118.749 118.749 117.099 1.650 18976 12499 1 15 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.193 0.175 18976 12500 1 15 . 1 1 72 72 LEU C C 72 178.949 178.949 178.676 0.273 18976 12501 1 15 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.243 0.353 18976 12502 1 15 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.856 -0.114 18976 12503 1 15 . 1 1 72 72 LEU H H 72 8.411 8.411 7.789 0.622 18976 12504 1 15 . 1 1 73 73 THR N N 73 115.213 115.213 112.742 2.471 18976 12505 1 15 . 1 1 73 73 THR HA H 73 3.753 3.753 3.892 -0.139 18976 12506 1 15 . 1 1 73 73 THR C C 73 175.955 175.955 175.322 0.633 18976 12507 1 15 . 1 1 73 73 THR CA C 73 66.313 66.313 65.371 0.942 18976 12508 1 15 . 1 1 73 73 THR CB C 73 68.075 68.075 69.110 -1.035 18976 12509 1 15 . 1 1 73 73 THR H H 73 7.522 7.522 7.107 0.415 18976 12510 1 15 . 1 1 74 74 MET N N 74 121.455 121.455 121.580 -0.125 18976 12511 1 15 . 1 1 74 74 MET HA H 74 3.773 3.773 4.191 -0.418 18976 12512 1 15 . 1 1 74 74 MET C C 74 178.098 178.098 178.089 0.009 18976 12513 1 15 . 1 1 74 74 MET CA C 74 58.603 58.603 57.681 0.922 18976 12514 1 15 . 1 1 74 74 MET CB C 74 32.905 32.905 32.515 0.390 18976 12515 1 15 . 1 1 74 74 MET H H 74 7.783 7.783 7.664 0.119 18976 12516 1 15 . 1 1 75 75 MET N N 75 116.557 116.557 117.082 -0.525 18976 12517 1 15 . 1 1 75 75 MET HA H 75 3.998 3.998 4.269 -0.271 18976 12518 1 15 . 1 1 75 75 MET C C 75 178.700 178.700 177.512 1.188 18976 12519 1 15 . 1 1 75 75 MET CA C 75 55.472 55.472 57.211 -1.739 18976 12520 1 15 . 1 1 75 75 MET CB C 75 30.693 30.693 30.776 -0.083 18976 12521 1 15 . 1 1 75 75 MET H H 75 8.077 8.077 7.997 0.080 18976 12522 1 15 . 1 1 76 76 ALA N N 76 122.410 122.410 122.001 0.409 18976 12523 1 15 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.994 0.095 18976 12524 1 15 . 1 1 76 76 ALA C C 76 179.683 179.683 179.073 0.610 18976 12525 1 15 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.058 0.318 18976 12526 1 15 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.814 -0.035 18976 12527 1 15 . 1 1 76 76 ALA H H 76 8.303 8.303 8.086 0.217 18976 12528 1 15 . 1 1 77 77 ARG N N 77 116.451 116.451 118.501 -2.050 18976 12529 1 15 . 1 1 77 77 ARG HA H 77 4.102 4.102 3.959 0.143 18976 12530 1 15 . 1 1 77 77 ARG C C 77 177.701 177.701 179.022 -1.321 18976 12531 1 15 . 1 1 77 77 ARG CA C 77 58.042 58.042 59.093 -1.051 18976 12532 1 15 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.027 -0.019 18976 12533 1 15 . 1 1 77 77 ARG H H 77 7.622 7.622 7.586 0.036 18976 12534 1 15 . 1 1 78 78 LYS N N 78 118.021 118.021 117.810 0.211 18976 12535 1 15 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.486 -0.247 18976 12536 1 15 . 1 1 78 78 LYS C C 78 177.525 177.525 177.472 0.053 18976 12537 1 15 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.108 -0.387 18976 12538 1 15 . 1 1 78 78 LYS CB C 78 32.213 32.213 31.683 0.530 18976 12539 1 15 . 1 1 78 78 LYS H H 78 7.577 7.577 7.792 -0.215 18976 12540 1 15 . 1 1 79 79 MET N N 79 118.929 118.929 118.817 0.112 18976 12541 1 15 . 1 1 79 79 MET HA H 79 4.351 4.351 4.447 -0.096 18976 12542 1 15 . 1 1 79 79 MET C C 79 176.322 176.322 176.762 -0.440 18976 12543 1 15 . 1 1 79 79 MET CA C 79 56.345 56.345 55.983 0.363 18976 12544 1 15 . 1 1 79 79 MET CB C 79 32.946 32.946 32.480 0.466 18976 12545 1 15 . 1 1 79 79 MET H H 79 7.772 7.772 7.574 0.198 18976 12546 1 15 . 1 1 80 80 LYS N N 80 120.686 120.686 120.094 0.592 18976 12547 1 15 . 1 1 80 80 LYS HA H 80 4.327 4.327 3.932 0.395 18976 12548 1 15 . 1 1 80 80 LYS C C 80 176.395 176.395 178.477 -2.082 18976 12549 1 15 . 1 1 80 80 LYS CA C 80 56.144 56.144 59.700 -3.557 18976 12550 1 15 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.831 0.977 18976 12551 1 15 . 1 1 80 80 LYS H H 80 7.955 7.955 7.572 0.383 18976 12552 1 15 . 1 1 81 81 ASP N N 81 121.721 121.721 117.976 3.745 18976 12553 1 15 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.404 0.285 18976 12554 1 15 . 1 1 81 81 ASP C C 81 176.644 176.644 178.284 -1.640 18976 12555 1 15 . 1 1 81 81 ASP CA C 81 54.286 54.286 57.444 -3.158 18976 12556 1 15 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.368 0.425 18976 12557 1 15 . 1 1 81 81 ASP H H 81 8.341 8.341 8.532 -0.191 18976 12558 1 15 . 1 1 82 82 THR N N 82 114.594 114.594 115.473 -0.879 18976 12559 1 15 . 1 1 82 82 THR HA H 82 4.323 4.323 4.049 0.274 18976 12560 1 15 . 1 1 82 82 THR C C 82 174.584 174.584 176.276 -1.692 18976 12561 1 15 . 1 1 82 82 THR CA C 82 61.955 61.955 66.026 -4.071 18976 12562 1 15 . 1 1 82 82 THR CB C 82 69.586 69.586 68.758 0.828 18976 12563 1 15 . 1 1 82 82 THR H H 82 8.123 8.123 7.456 0.667 18976 12564 1 15 . 1 1 83 83 ASP N N 83 123.126 123.126 121.446 1.680 18976 12565 1 15 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.409 0.290 18976 12566 1 15 . 1 1 83 83 ASP C C 83 176.674 176.674 178.232 -1.558 18976 12567 1 15 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.798 -2.307 18976 12568 1 15 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.672 0.368 18976 12569 1 15 . 1 1 83 83 ASP H H 83 8.439 8.439 7.925 0.514 18976 12570 1 15 . 1 1 84 84 SER N N 84 116.982 116.982 115.415 1.567 18976 12571 1 15 . 1 1 84 84 SER HA H 84 4.458 4.458 4.135 0.323 18976 12572 1 15 . 1 1 84 84 SER C C 84 175.393 175.393 176.018 -0.625 18976 12573 1 15 . 1 1 84 84 SER CA C 84 58.943 58.943 61.181 -2.238 18976 12574 1 15 . 1 1 84 84 SER CB C 84 63.550 63.550 62.513 1.037 18976 12575 1 15 . 1 1 84 84 SER H H 84 8.418 8.418 8.076 0.342 18976 12576 1 15 . 1 1 85 85 GLU N N 85 122.632 122.632 121.270 1.362 18976 12577 1 15 . 1 1 85 85 GLU HA H 85 4.211 4.211 3.966 0.245 18976 12578 1 15 . 1 1 85 85 GLU C C 85 177.716 177.716 178.352 -0.636 18976 12579 1 15 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.184 -0.645 18976 12580 1 15 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.814 0.413 18976 12581 1 15 . 1 1 85 85 GLU H H 85 8.504 8.504 7.667 0.837 18976 12582 1 15 . 1 1 86 86 GLU N N 86 119.077 119.077 119.901 -0.824 18976 12583 1 15 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.991 0.070 18976 12584 1 15 . 1 1 86 86 GLU C C 86 178.885 178.885 178.583 0.302 18976 12585 1 15 . 1 1 86 86 GLU CA C 86 59.365 59.365 59.404 -0.039 18976 12586 1 15 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.498 -0.433 18976 12587 1 15 . 1 1 86 86 GLU H H 86 8.333 8.333 8.165 0.168 18976 12588 1 15 . 1 1 87 87 GLU N N 87 119.138 119.138 119.797 -0.659 18976 12589 1 15 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.120 0.026 18976 12590 1 15 . 1 1 87 87 GLU C C 87 179.823 179.823 179.021 0.802 18976 12591 1 15 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.115 -0.205 18976 12592 1 15 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.506 -0.240 18976 12593 1 15 . 1 1 87 87 GLU H H 87 8.130 8.130 7.494 0.636 18976 12594 1 15 . 1 1 88 88 LEU N N 88 122.103 122.103 120.281 1.822 18976 12595 1 15 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.278 0.113 18976 12596 1 15 . 1 1 88 88 LEU C C 88 178.905 178.905 178.973 -0.068 18976 12597 1 15 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.410 0.306 18976 12598 1 15 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.727 0.134 18976 12599 1 15 . 1 1 88 88 LEU H H 88 8.152 8.152 7.536 0.616 18976 12600 1 15 . 1 1 89 89 ARG N N 89 120.092 120.092 119.257 0.835 18976 12601 1 15 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.017 0.033 18976 12602 1 15 . 1 1 89 89 ARG C C 89 179.507 179.507 178.769 0.738 18976 12603 1 15 . 1 1 89 89 ARG CA C 89 59.411 59.411 58.965 0.446 18976 12604 1 15 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.178 0.282 18976 12605 1 15 . 1 1 89 89 ARG H H 89 8.499 8.499 8.563 -0.064 18976 12606 1 15 . 1 1 90 90 GLU N N 90 119.315 119.315 119.007 0.308 18976 12607 1 15 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.217 -0.050 18976 12608 1 15 . 1 1 90 90 GLU C C 90 178.068 178.068 178.660 -0.592 18976 12609 1 15 . 1 1 90 90 GLU CA C 90 58.590 58.590 58.981 -0.391 18976 12610 1 15 . 1 1 90 90 GLU CB C 90 28.929 28.929 28.781 0.148 18976 12611 1 15 . 1 1 90 90 GLU H H 90 8.040 8.040 8.077 -0.037 18976 12612 1 15 . 1 1 91 91 ALA N N 91 121.794 121.794 122.583 -0.789 18976 12613 1 15 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.141 0.070 18976 12614 1 15 . 1 1 91 91 ALA C C 91 179.855 179.855 179.078 0.777 18976 12615 1 15 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.894 -0.168 18976 12616 1 15 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.538 -0.968 18976 12617 1 15 . 1 1 91 91 ALA H H 91 7.996 7.996 7.727 0.269 18976 12618 1 15 . 1 1 92 92 PHE N N 92 119.368 119.368 120.508 -1.140 18976 12619 1 15 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.528 -0.398 18976 12620 1 15 . 1 1 92 92 PHE C C 92 176.454 176.454 177.139 -0.685 18976 12621 1 15 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.910 0.322 18976 12622 1 15 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.232 -0.305 18976 12623 1 15 . 1 1 92 92 PHE H H 92 8.360 8.360 8.126 0.234 18976 12624 1 15 . 1 1 93 93 ARG N N 93 117.178 117.178 118.927 -1.749 18976 12625 1 15 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.797 0.068 18976 12626 1 15 . 1 1 93 93 ARG C C 93 178.421 178.421 177.684 0.737 18976 12627 1 15 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.102 -0.262 18976 12628 1 15 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.125 -0.219 18976 12629 1 15 . 1 1 93 93 ARG H H 93 7.895 7.895 7.453 0.442 18976 12630 1 15 . 1 1 94 94 VAL N N 94 115.719 115.719 117.269 -1.550 18976 12631 1 15 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.669 -0.069 18976 12632 1 15 . 1 1 94 94 VAL C C 94 177.334 177.334 177.523 -0.189 18976 12633 1 15 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.527 -0.495 18976 12634 1 15 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.576 -0.032 18976 12635 1 15 . 1 1 94 94 VAL H H 94 7.541 7.541 7.548 -0.007 18976 12636 1 15 . 1 1 95 95 GLU N N 95 117.921 117.921 115.683 2.238 18976 12637 1 15 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.050 -0.042 18976 12638 1 15 . 1 1 95 95 GLU C C 95 176.953 176.953 177.103 -0.150 18976 12639 1 15 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.818 0.438 18976 12640 1 15 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.426 -0.739 18976 12641 1 15 . 1 1 95 95 GLU H H 95 7.011 7.011 7.493 -0.482 18976 12642 1 15 . 1 1 96 96 ASP N N 96 117.365 117.365 118.928 -1.563 18976 12643 1 15 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.733 -0.283 18976 12644 1 15 . 1 1 96 96 ASP C C 96 177.202 177.202 176.273 0.929 18976 12645 1 15 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.789 -1.317 18976 12646 1 15 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.028 -1.954 18976 12647 1 15 . 1 1 96 96 ASP H H 96 7.626 7.626 7.332 0.294 18976 12648 1 15 . 1 1 97 97 LYS N N 97 124.733 124.733 123.866 0.867 18976 12649 1 15 . 1 1 97 97 LYS HA H 97 3.901 3.901 3.946 -0.045 18976 12650 1 15 . 1 1 97 97 LYS C C 97 178.333 178.333 178.028 0.305 18976 12651 1 15 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.544 0.061 18976 12652 1 15 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.488 -0.058 18976 12653 1 15 . 1 1 97 97 LYS H H 97 7.357 7.357 7.704 -0.347 18976 12654 1 15 . 1 1 98 98 ASP N N 98 114.048 114.048 114.665 -0.617 18976 12655 1 15 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.500 0.068 18976 12656 1 15 . 1 1 98 98 ASP C C 98 177.775 177.775 177.490 0.285 18976 12657 1 15 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.191 -1.534 18976 12658 1 15 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.616 -1.023 18976 12659 1 15 . 1 1 98 98 ASP H H 98 8.352 8.352 8.111 0.241 18976 12660 1 15 . 1 1 99 99 GLY N N 99 109.454 109.454 108.549 0.905 18976 12661 1 15 . 1 1 99 99 GLY C C 99 175.082 175.082 175.309 -0.227 18976 12662 1 15 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.820 1.007 18976 12663 1 15 . 1 1 99 99 GLY H H 99 7.828 7.828 8.011 -0.183 18976 12664 1 15 . 1 1 100 100 ASN N N 100 119.607 119.607 118.909 0.698 18976 12665 1 15 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.725 -0.090 18976 12666 1 15 . 1 1 100 100 ASN C C 100 175.969 175.969 176.819 -0.850 18976 12667 1 15 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.097 -0.614 18976 12668 1 15 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.187 -1.306 18976 12669 1 15 . 1 1 100 100 ASN H H 100 8.334 8.334 8.424 -0.090 18976 12670 1 15 . 1 1 101 101 GLY N N 101 113.007 113.007 107.457 5.550 18976 12671 1 15 . 1 1 101 101 GLY C C 101 172.314 172.314 172.823 -0.509 18976 12672 1 15 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.032 -0.350 18976 12673 1 15 . 1 1 101 101 GLY H H 101 10.640 10.640 8.997 1.643 18976 12674 1 15 . 1 1 102 102 TYR N N 102 115.913 115.913 118.847 -2.934 18976 12675 1 15 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.392 -0.206 18976 12676 1 15 . 1 1 102 102 TYR C C 102 174.736 174.736 175.279 -0.543 18976 12677 1 15 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.641 -0.979 18976 12678 1 15 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.656 2.145 18976 12679 1 15 . 1 1 102 102 TYR H H 102 7.610 7.610 8.009 -0.399 18976 12680 1 15 . 1 1 103 103 ILE N N 103 127.698 127.698 124.488 3.210 18976 12681 1 15 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.626 0.190 18976 12682 1 15 . 1 1 103 103 ILE C C 103 175.634 175.634 175.843 -0.209 18976 12683 1 15 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.166 0.272 18976 12684 1 15 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.381 -0.462 18976 12685 1 15 . 1 1 103 103 ILE H H 103 10.228 10.228 8.556 1.672 18976 12686 1 15 . 1 1 104 104 SER N N 104 123.581 123.581 121.416 2.165 18976 12687 1 15 . 1 1 104 104 SER HA H 104 4.849 4.849 5.243 -0.394 18976 12688 1 15 . 1 1 104 104 SER C C 104 175.191 175.191 175.040 0.151 18976 12689 1 15 . 1 1 104 104 SER CA C 104 55.499 55.499 54.942 0.557 18976 12690 1 15 . 1 1 104 104 SER CB C 104 66.371 66.371 65.988 0.383 18976 12691 1 15 . 1 1 104 104 SER H H 104 8.947 8.947 8.150 0.797 18976 12692 1 15 . 1 1 105 105 ALA N N 105 122.829 122.829 125.069 -2.240 18976 12693 1 15 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.207 -0.278 18976 12694 1 15 . 1 1 105 105 ALA C C 105 179.272 179.272 178.658 0.614 18976 12695 1 15 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.493 0.167 18976 12696 1 15 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.691 -1.008 18976 12697 1 15 . 1 1 105 105 ALA H H 105 9.251 9.251 9.020 0.231 18976 12698 1 15 . 1 1 106 106 ALA N N 106 118.442 118.442 120.720 -2.278 18976 12699 1 15 . 1 1 106 106 ALA HA H 106 4.037 4.037 4.036 0.001 18976 12700 1 15 . 1 1 106 106 ALA C C 106 181.180 181.180 178.836 2.344 18976 12701 1 15 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.501 0.340 18976 12702 1 15 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.026 0.017 18976 12703 1 15 . 1 1 106 106 ALA H H 106 8.209 8.209 8.513 -0.304 18976 12704 1 15 . 1 1 107 107 GLU N N 107 118.406 118.406 118.495 -0.089 18976 12705 1 15 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.141 -0.149 18976 12706 1 15 . 1 1 107 107 GLU C C 107 179.272 179.272 178.554 0.718 18976 12707 1 15 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.246 0.895 18976 12708 1 15 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.641 -0.885 18976 12709 1 15 . 1 1 107 107 GLU H H 107 7.752 7.752 7.571 0.181 18976 12710 1 15 . 1 1 108 108 LEU N N 108 122.413 122.413 120.554 1.859 18976 12711 1 15 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.945 0.127 18976 12712 1 15 . 1 1 108 108 LEU C C 108 178.553 178.553 178.783 -0.230 18976 12713 1 15 . 1 1 108 108 LEU CA C 108 57.292 57.292 58.210 -0.918 18976 12714 1 15 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.953 -0.509 18976 12715 1 15 . 1 1 108 108 LEU H H 108 8.793 8.793 8.278 0.515 18976 12716 1 15 . 1 1 109 109 ARG N N 109 118.074 118.074 117.589 0.485 18976 12717 1 15 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.035 -0.178 18976 12718 1 15 . 1 1 109 109 ARG C C 109 179.140 179.140 178.692 0.448 18976 12719 1 15 . 1 1 109 109 ARG CA C 109 59.786 59.786 58.986 0.800 18976 12720 1 15 . 1 1 109 109 ARG CB C 109 29.824 29.824 29.706 0.118 18976 12721 1 15 . 1 1 109 109 ARG H H 109 8.421 8.421 7.864 0.557 18976 12722 1 15 . 1 1 110 110 ILE N N 110 120.191 120.191 114.064 6.127 18976 12723 1 15 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.280 -0.493 18976 12724 1 15 . 1 1 110 110 ILE C C 110 177.804 177.804 177.268 0.536 18976 12725 1 15 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.023 1.530 18976 12726 1 15 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.065 -0.007 18976 12727 1 15 . 1 1 110 110 ILE H H 110 7.401 7.401 7.553 -0.152 18976 12728 1 15 . 1 1 111 111 VAL N N 111 120.330 120.330 121.668 -1.338 18976 12729 1 15 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.711 0.052 18976 12730 1 15 . 1 1 111 111 VAL C C 111 178.802 178.802 177.967 0.835 18976 12731 1 15 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.808 -0.118 18976 12732 1 15 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.250 0.342 18976 12733 1 15 . 1 1 111 111 VAL H H 111 7.907 7.907 7.180 0.727 18976 12734 1 15 . 1 1 112 112 MET N N 112 116.794 116.794 117.490 -0.696 18976 12735 1 15 . 1 1 112 112 MET HA H 112 4.396 4.396 4.197 0.199 18976 12736 1 15 . 1 1 112 112 MET C C 112 178.890 178.890 178.235 0.655 18976 12737 1 15 . 1 1 112 112 MET CA C 112 56.719 56.719 57.022 -0.303 18976 12738 1 15 . 1 1 112 112 MET CB C 112 30.384 30.384 31.189 -0.805 18976 12739 1 15 . 1 1 112 112 MET H H 112 8.355 8.355 8.576 -0.221 18976 12740 1 15 . 1 1 113 113 THR N N 113 117.282 117.282 111.425 5.857 18976 12741 1 15 . 1 1 113 113 THR HA H 113 4.187 4.187 3.994 0.193 18976 12742 1 15 . 1 1 113 113 THR C C 113 178.112 178.112 176.693 1.419 18976 12743 1 15 . 1 1 113 113 THR CA C 113 65.902 65.902 65.989 -0.087 18976 12744 1 15 . 1 1 113 113 THR CB C 113 68.642 68.642 68.365 0.277 18976 12745 1 15 . 1 1 113 113 THR H H 113 8.314 8.314 7.846 0.468 18976 12746 1 15 . 1 1 114 114 ASN N N 114 122.220 122.220 118.501 3.719 18976 12747 1 15 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.572 0.020 18976 12748 1 15 . 1 1 114 114 ASN C C 114 176.644 176.644 177.090 -0.446 18976 12749 1 15 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.495 0.659 18976 12750 1 15 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.777 -1.181 18976 12751 1 15 . 1 1 114 114 ASN H H 114 8.483 8.483 7.585 0.898 18976 12752 1 15 . 1 1 115 115 ARG N N 115 117.970 117.970 117.570 0.400 18976 12753 1 15 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.373 0.056 18976 12754 1 15 . 1 1 115 115 ARG C C 115 176.366 176.366 176.997 -0.631 18976 12755 1 15 . 1 1 115 115 ARG CA C 115 56.399 56.399 57.123 -0.724 18976 12756 1 15 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.751 -0.251 18976 12757 1 15 . 1 1 115 115 ARG H H 115 7.776 7.776 8.093 -0.317 18976 12758 1 15 . 1 1 116 116 GLY N N 116 107.547 107.547 107.005 0.542 18976 12759 1 15 . 1 1 116 116 GLY C C 116 174.384 174.384 175.089 -0.705 18976 12760 1 15 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.447 -0.240 18976 12761 1 15 . 1 1 116 116 GLY H H 116 7.968 7.968 7.806 0.162 18976 12762 1 15 . 1 1 117 117 GLU N N 117 119.975 119.975 122.158 -2.183 18976 12763 1 15 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.383 0.023 18976 12764 1 15 . 1 1 117 117 GLU C C 117 175.558 175.558 175.673 -0.115 18976 12765 1 15 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.376 0.801 18976 12766 1 15 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.474 1.926 18976 12767 1 15 . 1 1 117 117 GLU H H 117 7.934 7.934 7.893 0.041 18976 12768 1 15 . 1 1 118 118 LYS N N 118 124.035 124.035 122.465 1.570 18976 12769 1 15 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.056 0.348 18976 12770 1 15 . 1 1 118 118 LYS C C 118 175.441 175.441 176.043 -0.602 18976 12771 1 15 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.920 -1.653 18976 12772 1 15 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.760 -0.910 18976 12773 1 15 . 1 1 118 118 LYS H H 118 8.626 8.626 7.518 1.108 18976 12774 1 15 . 1 1 119 119 LEU N N 119 124.745 124.745 128.036 -3.291 18976 12775 1 15 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.766 0.004 18976 12776 1 15 . 1 1 119 119 LEU C C 119 178.127 178.127 177.082 1.045 18976 12777 1 15 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.245 0.594 18976 12778 1 15 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.154 0.169 18976 12779 1 15 . 1 1 119 119 LEU H H 119 8.140 8.140 8.339 -0.199 18976 12780 1 15 . 1 1 120 120 THR N N 120 114.555 114.555 118.943 -4.388 18976 12781 1 15 . 1 1 120 120 THR HA H 120 4.477 4.477 4.152 0.325 18976 12782 1 15 . 1 1 120 120 THR C C 120 175.514 175.514 175.312 0.202 18976 12783 1 15 . 1 1 120 120 THR CA C 120 60.613 60.613 63.207 -2.594 18976 12784 1 15 . 1 1 120 120 THR CB C 120 70.902 70.902 69.717 1.185 18976 12785 1 15 . 1 1 120 120 THR H H 120 9.220 9.220 8.566 0.654 18976 12786 1 15 . 1 1 121 121 ASP N N 121 121.128 121.128 123.025 -1.897 18976 12787 1 15 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.203 0.025 18976 12788 1 15 . 1 1 121 121 ASP C C 121 178.655 178.655 178.249 0.406 18976 12789 1 15 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.620 0.133 18976 12790 1 15 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.478 -1.163 18976 12791 1 15 . 1 1 121 121 ASP H H 121 8.921 8.921 8.779 0.142 18976 12792 1 15 . 1 1 122 122 GLU N N 122 119.266 119.266 120.087 -0.821 18976 12793 1 15 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.120 -0.001 18976 12794 1 15 . 1 1 122 122 GLU C C 122 179.184 179.184 178.656 0.528 18976 12795 1 15 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.021 0.751 18976 12796 1 15 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.398 -0.531 18976 12797 1 15 . 1 1 122 122 GLU H H 122 8.712 8.712 8.550 0.162 18976 12798 1 15 . 1 1 123 123 GLU N N 123 120.455 120.455 118.120 2.335 18976 12799 1 15 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.128 -0.105 18976 12800 1 15 . 1 1 123 123 GLU C C 123 180.123 180.123 179.015 1.108 18976 12801 1 15 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.868 0.222 18976 12802 1 15 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.440 0.773 18976 12803 1 15 . 1 1 123 123 GLU H H 123 7.763 7.763 8.499 -0.736 18976 12804 1 15 . 1 1 124 124 VAL N N 124 121.726 121.726 115.758 5.968 18976 12805 1 15 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.887 -0.280 18976 12806 1 15 . 1 1 124 124 VAL C C 124 177.337 177.337 177.237 0.100 18976 12807 1 15 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.683 1.049 18976 12808 1 15 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.135 -0.093 18976 12809 1 15 . 1 1 124 124 VAL H H 124 8.119 8.119 8.138 -0.019 18976 12810 1 15 . 1 1 125 125 ASP N N 125 119.880 119.880 120.510 -0.630 18976 12811 1 15 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.418 -0.067 18976 12812 1 15 . 1 1 125 125 ASP C C 125 179.323 179.323 178.159 1.164 18976 12813 1 15 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.250 0.125 18976 12814 1 15 . 1 1 125 125 ASP CB C 125 40.112 40.112 41.328 -1.216 18976 12815 1 15 . 1 1 125 125 ASP H H 125 8.051 8.051 7.688 0.363 18976 12816 1 15 . 1 1 126 126 GLU N N 126 119.798 119.798 119.936 -0.138 18976 12817 1 15 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.062 -0.041 18976 12818 1 15 . 1 1 126 126 GLU C C 126 177.966 177.966 178.488 -0.522 18976 12819 1 15 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.260 -0.287 18976 12820 1 15 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.884 -0.801 18976 12821 1 15 . 1 1 126 126 GLU H H 126 8.047 8.047 7.538 0.509 18976 12822 1 15 . 1 1 127 127 MET N N 127 119.443 119.443 118.710 0.733 18976 12823 1 15 . 1 1 127 127 MET HA H 127 4.137 4.137 4.266 -0.129 18976 12824 1 15 . 1 1 127 127 MET C C 127 179.859 179.859 178.160 1.699 18976 12825 1 15 . 1 1 127 127 MET CA C 127 59.137 59.137 58.032 1.105 18976 12826 1 15 . 1 1 127 127 MET CB C 127 32.239 32.239 32.122 0.117 18976 12827 1 15 . 1 1 127 127 MET H H 127 7.795 7.795 7.764 0.031 18976 12828 1 15 . 1 1 128 128 ILE N N 128 120.667 120.667 119.950 0.717 18976 12829 1 15 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.661 -0.140 18976 12830 1 15 . 1 1 128 128 ILE C C 128 177.657 177.657 177.921 -0.264 18976 12831 1 15 . 1 1 128 128 ILE CA C 128 63.812 63.812 65.218 -1.406 18976 12832 1 15 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.497 -1.510 18976 12833 1 15 . 1 1 128 128 ILE H H 128 8.158 8.158 7.554 0.604 18976 12834 1 15 . 1 1 129 129 ARG N N 129 119.725 119.725 117.567 2.158 18976 12835 1 15 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.129 -0.060 18976 12836 1 15 . 1 1 129 129 ARG C C 129 178.920 178.920 178.028 0.892 18976 12837 1 15 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.490 1.125 18976 12838 1 15 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.078 -0.196 18976 12839 1 15 . 1 1 129 129 ARG H H 129 8.270 8.270 7.520 0.750 18976 12840 1 15 . 1 1 130 130 GLU N N 130 115.236 115.236 118.155 -2.919 18976 12841 1 15 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.166 -0.072 18976 12842 1 15 . 1 1 130 130 GLU C C 130 177.349 177.349 177.540 -0.191 18976 12843 1 15 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.846 -0.946 18976 12844 1 15 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.708 0.115 18976 12845 1 15 . 1 1 130 130 GLU H H 130 7.953 7.953 7.998 -0.045 18976 12846 1 15 . 1 1 131 131 THR N N 131 112.585 112.585 112.060 0.525 18976 12847 1 15 . 1 1 131 131 THR HA H 131 4.239 4.239 4.362 -0.123 18976 12848 1 15 . 1 1 131 131 THR C C 131 174.149 174.149 173.908 0.241 18976 12849 1 15 . 1 1 131 131 THR CA C 131 62.887 62.887 62.907 -0.020 18976 12850 1 15 . 1 1 131 131 THR CB C 131 69.337 69.337 69.465 -0.128 18976 12851 1 15 . 1 1 131 131 THR H H 131 7.465 7.465 7.442 0.023 18976 12852 1 15 . 1 1 132 132 ASP N N 132 121.237 121.237 121.058 0.179 18976 12853 1 15 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.738 -0.260 18976 12854 1 15 . 1 1 132 132 ASP C C 132 175.777 175.777 176.925 -1.148 18976 12855 1 15 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.461 0.493 18976 12856 1 15 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.452 -2.011 18976 12857 1 15 . 1 1 132 132 ASP H H 132 8.070 8.070 8.094 -0.024 18976 12858 1 15 . 1 1 133 133 ILE N N 133 127.244 127.244 124.643 2.601 18976 12859 1 15 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.032 -0.056 18976 12860 1 15 . 1 1 133 133 ILE C C 133 177.628 177.628 176.777 0.851 18976 12861 1 15 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.907 -0.041 18976 12862 1 15 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.475 0.003 18976 12863 1 15 . 1 1 133 133 ILE H H 133 8.345 8.345 8.421 -0.076 18976 12864 1 15 . 1 1 134 134 ASP N N 134 116.893 116.893 118.674 -1.781 18976 12865 1 15 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.600 -0.067 18976 12866 1 15 . 1 1 134 134 ASP C C 134 178.259 178.259 177.154 1.105 18976 12867 1 15 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.829 -0.286 18976 12868 1 15 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.335 -0.497 18976 12869 1 15 . 1 1 134 134 ASP H H 134 8.297 8.297 8.074 0.223 18976 12870 1 15 . 1 1 135 135 GLY N N 135 108.287 108.287 108.498 -0.211 18976 12871 1 15 . 1 1 135 135 GLY C C 135 175.250 175.250 175.045 0.205 18976 12872 1 15 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.943 1.154 18976 12873 1 15 . 1 1 135 135 GLY H H 135 7.623 7.623 8.105 -0.482 18976 12874 1 15 . 1 1 136 136 ASP N N 136 120.541 120.541 119.078 1.463 18976 12875 1 15 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.535 -0.055 18976 12876 1 15 . 1 1 136 136 ASP C C 136 177.584 177.584 177.552 0.032 18976 12877 1 15 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.579 -0.204 18976 12878 1 15 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.615 -1.722 18976 12879 1 15 . 1 1 136 136 ASP H H 136 8.290 8.290 8.371 -0.081 18976 12880 1 15 . 1 1 137 137 GLY N N 137 112.490 112.490 109.117 3.373 18976 12881 1 15 . 1 1 137 137 GLY C C 137 172.828 172.828 173.297 -0.469 18976 12882 1 15 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.288 0.181 18976 12883 1 15 . 1 1 137 137 GLY H H 137 10.224 10.224 8.053 2.171 18976 12884 1 15 . 1 1 138 138 GLN N N 138 115.266 115.266 117.397 -2.131 18976 12885 1 15 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.304 -0.435 18976 12886 1 15 . 1 1 138 138 GLN C C 138 174.677 174.677 174.998 -0.321 18976 12887 1 15 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.119 -1.333 18976 12888 1 15 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.151 -1.408 18976 12889 1 15 . 1 1 138 138 GLN H H 138 7.992 7.992 8.265 -0.273 18976 12890 1 15 . 1 1 139 139 VAL N N 139 125.667 125.667 124.990 0.677 18976 12891 1 15 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.481 0.631 18976 12892 1 15 . 1 1 139 139 VAL C C 139 175.763 175.763 175.667 0.096 18976 12893 1 15 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.582 0.097 18976 12894 1 15 . 1 1 139 139 VAL CB C 139 33.532 33.532 31.983 1.549 18976 12895 1 15 . 1 1 139 139 VAL H H 139 9.227 9.227 8.727 0.500 18976 12896 1 15 . 1 1 140 140 ASN N N 140 128.431 128.431 125.652 2.779 18976 12897 1 15 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.490 -0.216 18976 12898 1 15 . 1 1 140 140 ASN C C 140 175.079 175.079 176.223 -1.144 18976 12899 1 15 . 1 1 140 140 ASN CA C 140 50.666 50.666 50.588 0.078 18976 12900 1 15 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.384 -3.157 18976 12901 1 15 . 1 1 140 140 ASN H H 140 9.360 9.360 8.744 0.616 18976 12902 1 15 . 1 1 141 141 TYR N N 141 119.146 119.146 122.679 -3.533 18976 12903 1 15 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.402 -0.016 18976 12904 1 15 . 1 1 141 141 TYR C C 141 176.092 176.092 177.195 -1.103 18976 12905 1 15 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.766 -0.708 18976 12906 1 15 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.367 -1.008 18976 12907 1 15 . 1 1 141 141 TYR H H 141 8.451 8.451 8.917 -0.466 18976 12908 1 15 . 1 1 142 142 GLU N N 142 118.431 118.431 119.561 -1.130 18976 12909 1 15 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.910 -0.228 18976 12910 1 15 . 1 1 142 142 GLU C C 142 180.226 180.226 178.503 1.723 18976 12911 1 15 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.875 0.208 18976 12912 1 15 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.769 -0.223 18976 12913 1 15 . 1 1 142 142 GLU H H 142 8.097 8.097 8.733 -0.636 18976 12914 1 15 . 1 1 143 143 GLU N N 143 120.068 120.068 119.375 0.693 18976 12915 1 15 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.059 -0.069 18976 12916 1 15 . 1 1 143 143 GLU C C 143 179.060 179.060 178.735 0.325 18976 12917 1 15 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.608 -1.034 18976 12918 1 15 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.576 -0.395 18976 12919 1 15 . 1 1 143 143 GLU H H 143 8.667 8.667 8.178 0.489 18976 12920 1 15 . 1 1 144 144 PHE N N 144 123.392 123.392 121.495 1.897 18976 12921 1 15 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.316 -0.349 18976 12922 1 15 . 1 1 144 144 PHE C C 144 176.982 176.982 177.645 -0.663 18976 12923 1 15 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.015 0.431 18976 12924 1 15 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.819 -0.124 18976 12925 1 15 . 1 1 144 144 PHE H H 144 8.731 8.731 8.716 0.015 18976 12926 1 15 . 1 1 145 145 VAL N N 145 119.201 119.201 115.973 3.228 18976 12927 1 15 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.606 -0.413 18976 12928 1 15 . 1 1 145 145 VAL C C 145 179.228 179.228 177.921 1.307 18976 12929 1 15 . 1 1 145 145 VAL CA C 145 66.662 66.662 64.729 1.933 18976 12930 1 15 . 1 1 145 145 VAL CB C 145 31.284 31.284 30.558 0.726 18976 12931 1 15 . 1 1 145 145 VAL H H 145 8.671 8.671 7.744 0.927 18976 12932 1 15 . 1 1 146 146 GLN N N 146 119.252 119.252 120.897 -1.645 18976 12933 1 15 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.859 0.057 18976 12934 1 15 . 1 1 146 146 GLN C C 146 177.825 177.825 178.142 -0.317 18976 12935 1 15 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.620 -1.053 18976 12936 1 15 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.346 -0.527 18976 12937 1 15 . 1 1 146 146 GLN H H 146 7.767 7.767 7.750 0.017 18976 12938 1 15 . 1 1 147 147 ARG N N 147 118.529 118.529 118.214 0.315 18976 12939 1 15 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.015 0.157 18976 12940 1 15 . 1 1 147 147 ARG C C 147 178.112 178.112 178.806 -0.694 18976 12941 1 15 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.979 -1.470 18976 12942 1 15 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.937 0.177 18976 12943 1 15 . 1 1 147 147 ARG H H 147 7.628 7.628 7.690 -0.062 18976 12944 1 15 . 1 1 148 148 MET N N 148 115.755 115.755 116.222 -0.467 18976 12945 1 15 . 1 1 148 148 MET HA H 148 4.304 4.304 4.255 0.049 18976 12946 1 15 . 1 1 148 148 MET C C 148 177.628 177.628 178.246 -0.618 18976 12947 1 15 . 1 1 148 148 MET CA C 148 55.489 55.489 57.331 -1.842 18976 12948 1 15 . 1 1 148 148 MET CB C 148 31.773 31.773 31.662 0.111 18976 12949 1 15 . 1 1 148 148 MET H H 148 8.003 8.003 7.738 0.265 18976 12950 1 15 . 1 1 149 149 THR N N 149 110.062 110.062 112.871 -2.809 18976 12951 1 15 . 1 1 149 149 THR HA H 149 4.349 4.349 4.317 0.032 18976 12952 1 15 . 1 1 149 149 THR C C 149 174.149 174.149 174.629 -0.480 18976 12953 1 15 . 1 1 149 149 THR CA C 149 61.775 61.775 64.310 -2.535 18976 12954 1 15 . 1 1 149 149 THR CB C 149 69.780 69.780 69.595 0.185 18976 12955 1 15 . 1 1 149 149 THR H H 149 7.682 7.682 7.649 0.033 18976 12956 1 15 . 1 1 150 150 ALA N N 150 126.503 126.503 121.134 5.369 18976 12957 1 15 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.536 -0.206 18976 12958 1 15 . 1 1 150 150 ALA CA C 150 52.535 52.535 51.857 0.678 18976 12959 1 15 . 1 1 150 150 ALA CB C 150 18.734 18.734 20.002 -1.268 18976 12960 1 15 . 1 1 150 150 ALA H H 150 7.651 7.651 7.546 0.105 18976 12961 1 16 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.404 0.017 18976 12962 1 16 . 1 1 2 2 LEU C C 2 177.129 177.129 177.863 -0.734 18976 12963 1 16 . 1 1 2 2 LEU CA C 2 55.122 55.122 54.703 0.419 18976 12964 1 16 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.864 0.589 18976 12965 1 16 . 1 1 2 2 LEU H H 2 8.641 8.641 8.684 -0.043 18976 12966 1 16 . 1 1 3 3 MET N N 3 120.143 120.143 118.800 1.343 18976 12967 1 16 . 1 1 3 3 MET HA H 3 4.451 4.451 4.017 0.434 18976 12968 1 16 . 1 1 3 3 MET C C 3 176.835 176.835 177.948 -1.113 18976 12969 1 16 . 1 1 3 3 MET CA C 3 55.160 55.160 58.909 -3.749 18976 12970 1 16 . 1 1 3 3 MET CB C 3 32.584 32.584 31.393 1.191 18976 12971 1 16 . 1 1 3 3 MET H H 3 8.396 8.396 7.954 0.442 18976 12972 1 16 . 1 1 4 4 ALA N N 4 123.344 123.344 120.428 2.916 18976 12973 1 16 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.093 -0.033 18976 12974 1 16 . 1 1 4 4 ALA C C 4 177.922 177.922 178.607 -0.685 18976 12975 1 16 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.118 -0.568 18976 12976 1 16 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.257 0.299 18976 12977 1 16 . 1 1 4 4 ALA H H 4 8.396 8.396 8.478 -0.082 18976 12978 1 16 . 1 1 5 5 ASP N N 5 116.052 116.052 115.965 0.087 18976 12979 1 16 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.718 -0.209 18976 12980 1 16 . 1 1 5 5 ASP C C 5 176.366 176.366 177.375 -1.009 18976 12981 1 16 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.528 -0.905 18976 12982 1 16 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.154 -0.891 18976 12983 1 16 . 1 1 5 5 ASP H H 5 8.114 8.114 7.855 0.259 18976 12984 1 16 . 1 1 6 6 GLN N N 6 117.717 117.717 119.403 -1.686 18976 12985 1 16 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.289 0.088 18976 12986 1 16 . 1 1 6 6 GLN C C 6 175.842 175.842 175.439 0.403 18976 12987 1 16 . 1 1 6 6 GLN CA C 6 55.311 55.311 54.885 0.427 18976 12988 1 16 . 1 1 6 6 GLN CB C 6 29.590 29.590 27.157 2.433 18976 12989 1 16 . 1 1 6 6 GLN H H 6 7.935 7.935 7.723 0.212 18976 12990 1 16 . 1 1 7 7 LEU N N 7 121.086 121.086 119.348 1.738 18976 12991 1 16 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.533 0.143 18976 12992 1 16 . 1 1 7 7 LEU C C 7 177.496 177.496 177.077 0.419 18976 12993 1 16 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.464 -0.399 18976 12994 1 16 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.089 0.179 18976 12995 1 16 . 1 1 7 7 LEU H H 7 7.713 7.713 7.549 0.164 18976 12996 1 16 . 1 1 8 8 THR N N 8 112.688 112.688 115.582 -2.894 18976 12997 1 16 . 1 1 8 8 THR HA H 8 4.475 4.475 4.505 -0.030 18976 12998 1 16 . 1 1 8 8 THR C C 8 175.511 175.511 175.561 -0.050 18976 12999 1 16 . 1 1 8 8 THR CA C 8 60.256 60.256 59.688 0.568 18976 13000 1 16 . 1 1 8 8 THR CB C 8 71.019 71.019 70.133 0.886 18976 13001 1 16 . 1 1 8 8 THR H H 8 8.800 8.800 7.935 0.865 18976 13002 1 16 . 1 1 9 9 GLU N N 9 120.380 120.380 120.506 -0.126 18976 13003 1 16 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.049 -0.069 18976 13004 1 16 . 1 1 9 9 GLU C C 9 179.492 179.492 178.613 0.879 18976 13005 1 16 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.479 0.447 18976 13006 1 16 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.529 -0.604 18976 13007 1 16 . 1 1 9 9 GLU H H 9 9.040 9.040 8.903 0.137 18976 13008 1 16 . 1 1 10 10 GLU N N 10 119.361 119.361 118.918 0.443 18976 13009 1 16 . 1 1 10 10 GLU HA H 10 4.074 4.074 3.992 0.082 18976 13010 1 16 . 1 1 10 10 GLU C C 10 179.185 179.185 178.710 0.475 18976 13011 1 16 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.334 0.433 18976 13012 1 16 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.013 -0.217 18976 13013 1 16 . 1 1 10 10 GLU H H 10 8.729 8.729 8.339 0.390 18976 13014 1 16 . 1 1 11 11 GLN N N 11 120.302 120.302 118.853 1.449 18976 13015 1 16 . 1 1 11 11 GLN HA H 11 3.868 3.868 3.679 0.189 18976 13016 1 16 . 1 1 11 11 GLN C C 11 178.318 178.318 178.444 -0.126 18976 13017 1 16 . 1 1 11 11 GLN CA C 11 58.384 58.384 57.917 0.467 18976 13018 1 16 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.357 0.528 18976 13019 1 16 . 1 1 11 11 GLN H H 11 7.747 7.747 7.514 0.233 18976 13020 1 16 . 1 1 12 12 ILE N N 12 119.533 119.533 120.323 -0.790 18976 13021 1 16 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.762 -0.044 18976 13022 1 16 . 1 1 12 12 ILE C C 12 177.731 177.731 177.753 -0.022 18976 13023 1 16 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.859 1.100 18976 13024 1 16 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.677 -0.166 18976 13025 1 16 . 1 1 12 12 ILE H H 12 8.456 8.456 8.204 0.252 18976 13026 1 16 . 1 1 13 13 ALA N N 13 121.161 121.161 122.215 -1.054 18976 13027 1 16 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.933 0.206 18976 13028 1 16 . 1 1 13 13 ALA C C 13 181.019 181.019 179.717 1.302 18976 13029 1 16 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.471 -0.348 18976 13030 1 16 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.144 -0.640 18976 13031 1 16 . 1 1 13 13 ALA H H 13 8.018 8.018 7.775 0.243 18976 13032 1 16 . 1 1 14 14 GLU N N 14 119.619 119.619 118.521 1.098 18976 13033 1 16 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.066 0.098 18976 13034 1 16 . 1 1 14 14 GLU C C 14 180.534 180.534 179.471 1.063 18976 13035 1 16 . 1 1 14 14 GLU CA C 14 59.124 59.124 59.019 0.105 18976 13036 1 16 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.218 -0.365 18976 13037 1 16 . 1 1 14 14 GLU H H 14 7.792 7.792 7.893 -0.101 18976 13038 1 16 . 1 1 15 15 PHE N N 15 120.089 120.089 116.910 3.179 18976 13039 1 16 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.726 0.338 18976 13040 1 16 . 1 1 15 15 PHE C C 15 178.700 178.700 177.943 0.757 18976 13041 1 16 . 1 1 15 15 PHE CA C 15 58.857 58.857 57.802 1.055 18976 13042 1 16 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.608 -1.132 18976 13043 1 16 . 1 1 15 15 PHE H H 15 8.587 8.587 8.297 0.290 18976 13044 1 16 . 1 1 16 16 LYS N N 16 123.715 123.715 120.867 2.848 18976 13045 1 16 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.170 -0.125 18976 13046 1 16 . 1 1 16 16 LYS C C 16 179.327 179.327 178.712 0.615 18976 13047 1 16 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.475 0.395 18976 13048 1 16 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.682 -0.109 18976 13049 1 16 . 1 1 16 16 LYS H H 16 9.256 9.256 8.491 0.765 18976 13050 1 16 . 1 1 17 17 GLU N N 17 120.262 120.262 120.283 -0.021 18976 13051 1 16 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.061 0.095 18976 13052 1 16 . 1 1 17 17 GLU C C 17 179.456 179.456 178.747 0.709 18976 13053 1 16 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.157 -0.150 18976 13054 1 16 . 1 1 17 17 GLU CB C 17 28.809 28.809 28.988 -0.180 18976 13055 1 16 . 1 1 17 17 GLU H H 17 7.774 7.774 8.002 -0.228 18976 13056 1 16 . 1 1 18 18 ALA N N 18 122.590 122.590 122.164 0.426 18976 13057 1 16 . 1 1 18 18 ALA HA H 18 4.315 4.315 3.957 0.358 18976 13058 1 16 . 1 1 18 18 ALA C C 18 179.060 179.060 179.166 -0.106 18976 13059 1 16 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.662 0.167 18976 13060 1 16 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.151 -0.353 18976 13061 1 16 . 1 1 18 18 ALA H H 18 8.001 8.001 7.579 0.422 18976 13062 1 16 . 1 1 19 19 PHE N N 19 119.363 119.363 118.216 1.147 18976 13063 1 16 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.335 -0.101 18976 13064 1 16 . 1 1 19 19 PHE C C 19 177.290 177.290 177.287 0.003 18976 13065 1 16 . 1 1 19 19 PHE CA C 19 61.757 61.757 61.051 0.706 18976 13066 1 16 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.842 0.296 18976 13067 1 16 . 1 1 19 19 PHE H H 19 8.859 8.859 8.225 0.634 18976 13068 1 16 . 1 1 20 20 SER N N 20 112.556 112.556 114.322 -1.766 18976 13069 1 16 . 1 1 20 20 SER HA H 20 4.142 4.142 4.115 0.027 18976 13070 1 16 . 1 1 20 20 SER C C 20 174.955 174.955 175.653 -0.698 18976 13071 1 16 . 1 1 20 20 SER CA C 20 61.007 61.007 61.928 -0.921 18976 13072 1 16 . 1 1 20 20 SER CB C 20 62.960 62.960 63.268 -0.308 18976 13073 1 16 . 1 1 20 20 SER H H 20 7.934 7.934 7.824 0.110 18976 13074 1 16 . 1 1 21 21 LEU N N 21 120.816 120.816 120.936 -0.120 18976 13075 1 16 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.122 -0.106 18976 13076 1 16 . 1 1 21 21 LEU C C 21 178.010 178.010 177.985 0.025 18976 13077 1 16 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.571 -0.776 18976 13078 1 16 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.143 -1.011 18976 13079 1 16 . 1 1 21 21 LEU H H 21 7.434 7.434 7.572 -0.138 18976 13080 1 16 . 1 1 22 22 PHE N N 22 115.049 115.049 113.953 1.096 18976 13081 1 16 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.328 -0.084 18976 13082 1 16 . 1 1 22 22 PHE C C 22 176.762 176.762 176.909 -0.147 18976 13083 1 16 . 1 1 22 22 PHE CA C 22 59.020 59.020 57.150 1.871 18976 13084 1 16 . 1 1 22 22 PHE CB C 22 40.730 40.730 38.685 2.045 18976 13085 1 16 . 1 1 22 22 PHE H H 22 7.326 7.326 7.756 -0.430 18976 13086 1 16 . 1 1 23 23 ASP N N 23 117.496 117.496 119.759 -2.263 18976 13087 1 16 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.926 -0.375 18976 13088 1 16 . 1 1 23 23 ASP C C 23 177.167 177.167 177.167 0.000 18976 13089 1 16 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.136 -1.095 18976 13090 1 16 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.519 -0.921 18976 13091 1 16 . 1 1 23 23 ASP H H 23 7.851 7.851 7.879 -0.028 18976 13092 1 16 . 1 1 24 24 LYS N N 24 124.470 124.470 124.210 0.260 18976 13093 1 16 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.043 -0.059 18976 13094 1 16 . 1 1 24 24 LYS C C 24 178.127 178.127 177.653 0.474 18976 13095 1 16 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.557 -0.399 18976 13096 1 16 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.298 0.085 18976 13097 1 16 . 1 1 24 24 LYS H H 24 7.687 7.687 7.839 -0.152 18976 13098 1 16 . 1 1 25 25 ASP N N 25 113.822 113.822 117.075 -3.253 18976 13099 1 16 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.477 0.129 18976 13100 1 16 . 1 1 25 25 ASP C C 25 177.687 177.687 177.354 0.333 18976 13101 1 16 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.820 -1.361 18976 13102 1 16 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.878 -0.687 18976 13103 1 16 . 1 1 25 25 ASP H H 25 8.067 8.067 7.855 0.212 18976 13104 1 16 . 1 1 26 26 GLY N N 26 109.208 109.208 109.007 0.201 18976 13105 1 16 . 1 1 26 26 GLY C C 26 175.132 175.132 175.185 -0.053 18976 13106 1 16 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.193 0.681 18976 13107 1 16 . 1 1 26 26 GLY H H 26 7.698 7.698 7.544 0.154 18976 13108 1 16 . 1 1 27 27 ASP N N 27 120.603 120.603 119.823 0.780 18976 13109 1 16 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.634 -0.111 18976 13110 1 16 . 1 1 27 27 ASP C C 27 177.452 177.452 177.792 -0.340 18976 13111 1 16 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.354 0.139 18976 13112 1 16 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.408 -1.161 18976 13113 1 16 . 1 1 27 27 ASP H H 27 8.397 8.397 8.479 -0.082 18976 13114 1 16 . 1 1 28 28 GLY N N 28 113.187 113.187 109.411 3.776 18976 13115 1 16 . 1 1 28 28 GLY C C 28 173.679 173.679 173.767 -0.088 18976 13116 1 16 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.409 -0.228 18976 13117 1 16 . 1 1 28 28 GLY H H 28 10.648 10.648 8.535 2.113 18976 13118 1 16 . 1 1 29 29 THR N N 29 112.865 112.865 111.080 1.785 18976 13119 1 16 . 1 1 29 29 THR HA H 29 5.310 5.310 5.360 -0.050 18976 13120 1 16 . 1 1 29 29 THR C C 29 172.872 172.872 173.638 -0.766 18976 13121 1 16 . 1 1 29 29 THR CA C 29 59.764 59.764 60.973 -1.209 18976 13122 1 16 . 1 1 29 29 THR CB C 29 72.319 72.319 71.907 0.412 18976 13123 1 16 . 1 1 29 29 THR H H 29 8.144 8.144 8.506 -0.362 18976 13124 1 16 . 1 1 30 30 ILE N N 30 127.035 127.035 127.714 -0.679 18976 13125 1 16 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.531 0.449 18976 13126 1 16 . 1 1 30 30 ILE C C 30 176.072 176.072 176.394 -0.322 18976 13127 1 16 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.559 -0.415 18976 13128 1 16 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.843 1.459 18976 13129 1 16 . 1 1 30 30 ILE H H 30 9.821 9.821 9.006 0.815 18976 13130 1 16 . 1 1 31 31 THR N N 31 116.509 116.509 119.161 -2.652 18976 13131 1 16 . 1 1 31 31 THR HA H 31 4.800 4.800 4.686 0.114 18976 13132 1 16 . 1 1 31 31 THR C C 31 176.542 176.542 176.371 0.171 18976 13133 1 16 . 1 1 31 31 THR CA C 31 59.396 59.396 60.465 -1.069 18976 13134 1 16 . 1 1 31 31 THR CB C 31 72.162 72.162 70.347 1.815 18976 13135 1 16 . 1 1 31 31 THR H H 31 8.469 8.469 8.762 -0.293 18976 13136 1 16 . 1 1 32 32 THR N N 32 112.790 112.790 113.293 -0.503 18976 13137 1 16 . 1 1 32 32 THR HA H 32 3.803 3.803 3.860 -0.057 18976 13138 1 16 . 1 1 32 32 THR C C 32 177.188 177.188 176.637 0.551 18976 13139 1 16 . 1 1 32 32 THR CA C 32 66.253 66.253 66.683 -0.430 18976 13140 1 16 . 1 1 32 32 THR CB C 32 67.459 67.459 68.680 -1.221 18976 13141 1 16 . 1 1 32 32 THR H H 32 9.128 9.128 8.920 0.208 18976 13142 1 16 . 1 1 33 33 LYS N N 33 120.844 120.844 121.536 -0.692 18976 13143 1 16 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.982 0.166 18976 13144 1 16 . 1 1 33 33 LYS C C 33 179.880 179.880 178.748 1.132 18976 13145 1 16 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.806 -0.867 18976 13146 1 16 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.324 -0.089 18976 13147 1 16 . 1 1 33 33 LYS H H 33 7.695 7.695 8.268 -0.573 18976 13148 1 16 . 1 1 34 34 GLU N N 34 121.463 121.463 119.913 1.550 18976 13149 1 16 . 1 1 34 34 GLU HA H 34 4.068 4.068 3.949 0.119 18976 13150 1 16 . 1 1 34 34 GLU C C 34 179.140 179.140 178.979 0.161 18976 13151 1 16 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.230 -0.091 18976 13152 1 16 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.606 -0.061 18976 13153 1 16 . 1 1 34 34 GLU H H 34 7.687 7.687 7.510 0.177 18976 13154 1 16 . 1 1 35 35 LEU N N 35 120.583 120.583 120.631 -0.048 18976 13155 1 16 . 1 1 35 35 LEU HA H 35 4.123 4.123 3.953 0.170 18976 13156 1 16 . 1 1 35 35 LEU C C 35 178.934 178.934 178.829 0.105 18976 13157 1 16 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.959 -0.132 18976 13158 1 16 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.729 0.651 18976 13159 1 16 . 1 1 35 35 LEU H H 35 8.745 8.745 8.199 0.546 18976 13160 1 16 . 1 1 36 36 GLY N N 36 128.127 128.127 104.927 23.200 18976 13161 1 16 . 1 1 36 36 GLY C C 36 175.177 175.177 176.147 -0.970 18976 13162 1 16 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.432 0.571 18976 13163 1 16 . 1 1 36 36 GLY H H 36 8.670 8.670 8.231 0.439 18976 13164 1 16 . 1 1 37 37 THR N N 37 117.925 117.925 118.042 -0.117 18976 13165 1 16 . 1 1 37 37 THR HA H 37 3.938 3.938 4.042 -0.104 18976 13166 1 16 . 1 1 37 37 THR C C 37 177.137 177.137 176.368 0.769 18976 13167 1 16 . 1 1 37 37 THR CA C 37 66.648 66.648 66.537 0.111 18976 13168 1 16 . 1 1 37 37 THR CB C 37 68.383 68.383 68.509 -0.126 18976 13169 1 16 . 1 1 37 37 THR H H 37 7.930 7.930 7.640 0.290 18976 13170 1 16 . 1 1 38 38 VAL N N 38 122.046 122.046 121.807 0.239 18976 13171 1 16 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.668 -0.145 18976 13172 1 16 . 1 1 38 38 VAL C C 38 179.243 179.243 178.049 1.194 18976 13173 1 16 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.751 0.211 18976 13174 1 16 . 1 1 38 38 VAL CB C 38 31.070 31.070 30.650 0.420 18976 13175 1 16 . 1 1 38 38 VAL H H 38 7.643 7.643 8.062 -0.419 18976 13176 1 16 . 1 1 39 39 MET N N 39 118.442 118.442 117.494 0.948 18976 13177 1 16 . 1 1 39 39 MET HA H 39 4.133 4.133 3.990 0.143 18976 13178 1 16 . 1 1 39 39 MET C C 39 179.125 179.125 178.150 0.975 18976 13179 1 16 . 1 1 39 39 MET CA C 39 58.886 58.886 59.013 -0.127 18976 13180 1 16 . 1 1 39 39 MET CB C 39 31.211 31.211 32.054 -0.843 18976 13181 1 16 . 1 1 39 39 MET H H 39 8.497 8.497 7.781 0.716 18976 13182 1 16 . 1 1 40 40 ARG N N 40 118.929 118.929 119.834 -0.905 18976 13183 1 16 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.417 0.416 18976 13184 1 16 . 1 1 40 40 ARG C C 40 181.224 181.224 178.971 2.253 18976 13185 1 16 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.377 -0.491 18976 13186 1 16 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.061 -1.226 18976 13187 1 16 . 1 1 40 40 ARG H H 40 8.536 8.536 7.878 0.658 18976 13188 1 16 . 1 1 41 41 SER N N 41 118.832 118.832 116.383 2.449 18976 13189 1 16 . 1 1 41 41 SER HA H 41 4.425 4.425 4.228 0.197 18976 13190 1 16 . 1 1 41 41 SER C C 41 174.839 174.839 175.256 -0.417 18976 13191 1 16 . 1 1 41 41 SER CA C 41 61.249 61.249 60.761 0.488 18976 13192 1 16 . 1 1 41 41 SER CB C 41 62.464 62.464 62.840 -0.376 18976 13193 1 16 . 1 1 41 41 SER H H 41 7.925 7.925 7.525 0.400 18976 13194 1 16 . 1 1 42 42 LEU N N 42 120.676 120.676 120.484 0.192 18976 13195 1 16 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.371 0.146 18976 13196 1 16 . 1 1 42 42 LEU C C 42 177.540 177.540 177.031 0.509 18976 13197 1 16 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.595 -0.363 18976 13198 1 16 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.374 0.296 18976 13199 1 16 . 1 1 42 42 LEU H H 42 7.395 7.395 7.208 0.187 18976 13200 1 16 . 1 1 43 43 GLY N N 43 106.840 106.840 106.591 0.249 18976 13201 1 16 . 1 1 43 43 GLY C C 43 174.384 174.384 174.802 -0.418 18976 13202 1 16 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.745 0.563 18976 13203 1 16 . 1 1 43 43 GLY H H 43 7.885 7.885 7.541 0.344 18976 13204 1 16 . 1 1 44 44 GLN N N 44 118.414 118.414 120.326 -1.912 18976 13205 1 16 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.434 0.068 18976 13206 1 16 . 1 1 44 44 GLN C C 44 174.134 174.134 175.253 -1.119 18976 13207 1 16 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.657 -0.473 18976 13208 1 16 . 1 1 44 44 GLN CB C 44 30.274 30.274 29.973 0.301 18976 13209 1 16 . 1 1 44 44 GLN H H 44 7.805 7.805 7.960 -0.155 18976 13210 1 16 . 1 1 45 45 ASN N N 45 116.265 116.265 120.150 -3.885 18976 13211 1 16 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.107 0.094 18976 13212 1 16 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.534 -0.577 18976 13213 1 16 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.639 -0.730 18976 13214 1 16 . 1 1 45 45 ASN H H 45 8.733 8.733 8.583 0.150 18976 13215 1 16 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.779 0.008 18976 13216 1 16 . 1 1 46 46 PRO C C 46 177.745 177.745 176.869 0.876 18976 13217 1 16 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.109 -0.004 18976 13218 1 16 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.608 -0.905 18976 13219 1 16 . 1 1 47 47 THR N N 47 112.958 112.958 117.842 -4.884 18976 13220 1 16 . 1 1 47 47 THR HA H 47 4.451 4.451 4.465 -0.014 18976 13221 1 16 . 1 1 47 47 THR C C 47 175.159 175.159 175.567 -0.408 18976 13222 1 16 . 1 1 47 47 THR CA C 47 60.078 60.078 61.481 -1.403 18976 13223 1 16 . 1 1 47 47 THR CB C 47 71.001 71.001 70.388 0.613 18976 13224 1 16 . 1 1 47 47 THR H H 47 8.767 8.767 8.383 0.384 18976 13225 1 16 . 1 1 48 48 GLU N N 48 120.607 120.607 126.079 -5.472 18976 13226 1 16 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.963 0.043 18976 13227 1 16 . 1 1 48 48 GLU C C 48 178.949 178.949 178.388 0.561 18976 13228 1 16 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.754 -0.013 18976 13229 1 16 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.484 -0.792 18976 13230 1 16 . 1 1 48 48 GLU H H 48 8.824 8.824 8.947 -0.123 18976 13231 1 16 . 1 1 49 49 ALA N N 49 120.678 120.678 121.363 -0.685 18976 13232 1 16 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.091 0.028 18976 13233 1 16 . 1 1 49 49 ALA C C 49 180.226 180.226 179.318 0.908 18976 13234 1 16 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.815 -0.099 18976 13235 1 16 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.107 -0.234 18976 13236 1 16 . 1 1 49 49 ALA H H 49 8.279 8.279 8.174 0.105 18976 13237 1 16 . 1 1 50 50 GLU N N 50 118.703 118.703 119.884 -1.181 18976 13238 1 16 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.101 -0.049 18976 13239 1 16 . 1 1 50 50 GLU C C 50 180.182 180.182 178.938 1.244 18976 13240 1 16 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.866 -0.009 18976 13241 1 16 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.764 -0.396 18976 13242 1 16 . 1 1 50 50 GLU H H 50 7.712 7.712 7.632 0.080 18976 13243 1 16 . 1 1 51 51 LEU N N 51 120.420 120.420 117.800 2.620 18976 13244 1 16 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.090 0.004 18976 13245 1 16 . 1 1 51 51 LEU C C 51 178.494 178.494 179.002 -0.508 18976 13246 1 16 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.564 1.115 18976 13247 1 16 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.579 1.477 18976 13248 1 16 . 1 1 51 51 LEU H H 51 8.192 8.192 7.602 0.590 18976 13249 1 16 . 1 1 52 52 GLN N N 52 118.200 118.200 119.021 -0.821 18976 13250 1 16 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.013 -0.175 18976 13251 1 16 . 1 1 52 52 GLN C C 52 178.518 178.518 177.839 0.679 18976 13252 1 16 . 1 1 52 52 GLN CA C 52 58.197 58.197 59.074 -0.877 18976 13253 1 16 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.140 -0.236 18976 13254 1 16 . 1 1 52 52 GLN H H 52 8.212 8.212 8.122 0.090 18976 13255 1 16 . 1 1 53 53 ASP N N 53 119.922 119.922 120.198 -0.276 18976 13256 1 16 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.472 -0.042 18976 13257 1 16 . 1 1 53 53 ASP C C 53 178.635 178.635 178.481 0.154 18976 13258 1 16 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.267 -0.005 18976 13259 1 16 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.768 -0.806 18976 13260 1 16 . 1 1 53 53 ASP H H 53 8.108 8.108 7.799 0.309 18976 13261 1 16 . 1 1 54 54 MET N N 54 119.290 119.290 118.739 0.551 18976 13262 1 16 . 1 1 54 54 MET HA H 54 4.044 4.044 4.449 -0.405 18976 13263 1 16 . 1 1 54 54 MET C C 54 178.876 178.876 179.155 -0.279 18976 13264 1 16 . 1 1 54 54 MET CA C 54 59.108 59.108 58.979 0.129 18976 13265 1 16 . 1 1 54 54 MET CB C 54 32.930 32.930 32.739 0.191 18976 13266 1 16 . 1 1 54 54 MET H H 54 7.865 7.865 7.346 0.519 18976 13267 1 16 . 1 1 55 55 ILE N N 55 118.056 118.056 120.752 -2.696 18976 13268 1 16 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.666 -0.151 18976 13269 1 16 . 1 1 55 55 ILE C C 55 177.760 177.760 177.555 0.205 18976 13270 1 16 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.048 -0.568 18976 13271 1 16 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.770 -0.790 18976 13272 1 16 . 1 1 55 55 ILE H H 55 7.710 7.710 7.930 -0.220 18976 13273 1 16 . 1 1 56 56 ASN N N 56 117.688 117.688 116.818 0.870 18976 13274 1 16 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.444 -0.052 18976 13275 1 16 . 1 1 56 56 ASN C C 56 177.393 177.393 176.814 0.579 18976 13276 1 16 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.519 0.067 18976 13277 1 16 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.921 -0.266 18976 13278 1 16 . 1 1 56 56 ASN H H 56 8.606 8.606 8.095 0.510 18976 13279 1 16 . 1 1 57 57 GLU N N 57 116.316 116.316 117.487 -1.171 18976 13280 1 16 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.173 -0.130 18976 13281 1 16 . 1 1 57 57 GLU C C 57 177.569 177.569 177.589 -0.020 18976 13282 1 16 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.327 0.305 18976 13283 1 16 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.197 -0.098 18976 13284 1 16 . 1 1 57 57 GLU H H 57 7.580 7.580 7.867 -0.287 18976 13285 1 16 . 1 1 58 58 VAL N N 58 108.390 108.390 112.093 -3.703 18976 13286 1 16 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.167 0.315 18976 13287 1 16 . 1 1 58 58 VAL C C 58 175.749 175.749 175.480 0.269 18976 13288 1 16 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.286 -1.869 18976 13289 1 16 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.748 -0.383 18976 13290 1 16 . 1 1 58 58 VAL H H 58 7.219 7.219 7.348 -0.129 18976 13291 1 16 . 1 1 59 59 ASP N N 59 121.728 121.728 120.478 1.250 18976 13292 1 16 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.892 -0.250 18976 13293 1 16 . 1 1 59 59 ASP C C 59 176.219 176.219 175.953 0.266 18976 13294 1 16 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.266 -0.798 18976 13295 1 16 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.693 -1.828 18976 13296 1 16 . 1 1 59 59 ASP H H 59 7.674 7.674 7.914 -0.240 18976 13297 1 16 . 1 1 60 60 ALA N N 60 109.214 109.214 129.890 -20.676 18976 13298 1 16 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.178 0.037 18976 13299 1 16 . 1 1 60 60 ALA C C 60 178.626 178.626 178.468 0.158 18976 13300 1 16 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.038 -0.053 18976 13301 1 16 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.867 -0.721 18976 13302 1 16 . 1 1 60 60 ALA H H 60 8.481 8.481 8.481 -0.000 18976 13303 1 16 . 1 1 61 61 ASP N N 61 113.667 113.667 117.860 -4.193 18976 13304 1 16 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.485 0.138 18976 13305 1 16 . 1 1 61 61 ASP C C 61 177.848 177.848 177.939 -0.091 18976 13306 1 16 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.285 -1.874 18976 13307 1 16 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.177 -1.626 18976 13308 1 16 . 1 1 61 61 ASP H H 61 8.158 8.158 8.054 0.104 18976 13309 1 16 . 1 1 62 62 GLY N N 62 108.314 108.314 109.327 -1.013 18976 13310 1 16 . 1 1 62 62 GLY C C 62 174.933 174.933 175.080 -0.147 18976 13311 1 16 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.416 1.526 18976 13312 1 16 . 1 1 62 62 GLY H H 62 7.585 7.585 8.366 -0.781 18976 13313 1 16 . 1 1 63 63 ASN N N 63 118.384 118.384 118.422 -0.038 18976 13314 1 16 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.740 -0.083 18976 13315 1 16 . 1 1 63 63 ASN C C 63 176.835 176.835 176.556 0.279 18976 13316 1 16 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.289 -0.066 18976 13317 1 16 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.016 -1.650 18976 13318 1 16 . 1 1 63 63 ASN H H 63 8.086 8.086 8.652 -0.566 18976 13319 1 16 . 1 1 64 64 GLY N N 64 113.412 113.412 110.214 3.198 18976 13320 1 16 . 1 1 64 64 GLY C C 64 173.254 173.254 173.779 -0.525 18976 13321 1 16 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.404 -0.007 18976 13322 1 16 . 1 1 64 64 GLY H H 64 10.618 10.618 8.054 2.564 18976 13323 1 16 . 1 1 65 65 THR N N 65 108.877 108.877 113.594 -4.717 18976 13324 1 16 . 1 1 65 65 THR HA H 65 4.766 4.766 4.695 0.071 18976 13325 1 16 . 1 1 65 65 THR C C 65 173.195 173.195 173.198 -0.003 18976 13326 1 16 . 1 1 65 65 THR CA C 65 59.301 59.301 61.103 -1.802 18976 13327 1 16 . 1 1 65 65 THR CB C 65 71.695 71.695 72.461 -0.766 18976 13328 1 16 . 1 1 65 65 THR H H 65 7.684 7.684 7.987 -0.303 18976 13329 1 16 . 1 1 66 66 ILE N N 66 123.673 123.673 124.404 -0.731 18976 13330 1 16 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.416 0.774 18976 13331 1 16 . 1 1 66 66 ILE C C 66 175.529 175.529 175.170 0.359 18976 13332 1 16 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.333 -1.649 18976 13333 1 16 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.726 0.691 18976 13334 1 16 . 1 1 66 66 ILE H H 66 8.912 8.912 8.383 0.529 18976 13335 1 16 . 1 1 67 67 ASP N N 67 128.135 128.135 127.699 0.436 18976 13336 1 16 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.168 0.216 18976 13337 1 16 . 1 1 67 67 ASP C C 67 176.322 176.322 176.794 -0.472 18976 13338 1 16 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.616 -1.773 18976 13339 1 16 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.627 -0.840 18976 13340 1 16 . 1 1 67 67 ASP H H 67 8.824 8.824 8.627 0.197 18976 13341 1 16 . 1 1 68 68 PHE N N 68 118.627 118.627 123.268 -4.641 18976 13342 1 16 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.893 0.131 18976 13343 1 16 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.555 0.615 18976 13344 1 16 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.797 -1.196 18976 13345 1 16 . 1 1 68 68 PHE H H 68 8.943 8.943 9.108 -0.165 18976 13346 1 16 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.967 -0.091 18976 13347 1 16 . 1 1 69 69 PRO C C 69 180.037 180.037 178.811 1.226 18976 13348 1 16 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.762 0.630 18976 13349 1 16 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.909 -0.535 18976 13350 1 16 . 1 1 70 70 GLU N N 70 117.615 117.615 118.605 -0.990 18976 13351 1 16 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.216 -0.108 18976 13352 1 16 . 1 1 70 70 GLU C C 70 178.773 178.773 178.989 -0.216 18976 13353 1 16 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.511 0.055 18976 13354 1 16 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.376 -0.350 18976 13355 1 16 . 1 1 70 70 GLU H H 70 7.969 7.969 7.834 0.135 18976 13356 1 16 . 1 1 71 71 PHE N N 71 123.460 123.460 122.260 1.200 18976 13357 1 16 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.324 -0.350 18976 13358 1 16 . 1 1 71 71 PHE C C 71 177.041 177.041 176.421 0.620 18976 13359 1 16 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.424 -0.397 18976 13360 1 16 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.455 0.252 18976 13361 1 16 . 1 1 71 71 PHE H H 71 8.861 8.861 8.194 0.667 18976 13362 1 16 . 1 1 72 72 LEU N N 72 118.749 118.749 118.570 0.179 18976 13363 1 16 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.625 -0.257 18976 13364 1 16 . 1 1 72 72 LEU C C 72 178.949 178.949 178.882 0.067 18976 13365 1 16 . 1 1 72 72 LEU CA C 72 57.596 57.596 58.162 -0.566 18976 13366 1 16 . 1 1 72 72 LEU CB C 72 40.742 40.742 41.333 -0.591 18976 13367 1 16 . 1 1 72 72 LEU H H 72 8.411 8.411 7.819 0.592 18976 13368 1 16 . 1 1 73 73 THR N N 73 115.213 115.213 110.419 4.794 18976 13369 1 16 . 1 1 73 73 THR HA H 73 3.753 3.753 4.060 -0.307 18976 13370 1 16 . 1 1 73 73 THR C C 73 175.955 175.955 176.336 -0.381 18976 13371 1 16 . 1 1 73 73 THR CA C 73 66.313 66.313 64.981 1.332 18976 13372 1 16 . 1 1 73 73 THR CB C 73 68.075 68.075 68.625 -0.550 18976 13373 1 16 . 1 1 73 73 THR H H 73 7.522 7.522 7.439 0.083 18976 13374 1 16 . 1 1 74 74 MET N N 74 121.455 121.455 122.511 -1.056 18976 13375 1 16 . 1 1 74 74 MET HA H 74 3.773 3.773 3.968 -0.195 18976 13376 1 16 . 1 1 74 74 MET C C 74 178.098 178.098 177.692 0.406 18976 13377 1 16 . 1 1 74 74 MET CA C 74 58.603 58.603 59.476 -0.873 18976 13378 1 16 . 1 1 74 74 MET CB C 74 32.905 32.905 32.624 0.281 18976 13379 1 16 . 1 1 74 74 MET H H 74 7.783 7.783 7.516 0.267 18976 13380 1 16 . 1 1 75 75 MET N N 75 116.557 116.557 115.936 0.621 18976 13381 1 16 . 1 1 75 75 MET HA H 75 3.998 3.998 3.974 0.024 18976 13382 1 16 . 1 1 75 75 MET C C 75 178.700 178.700 177.972 0.728 18976 13383 1 16 . 1 1 75 75 MET CA C 75 55.472 55.472 58.416 -2.944 18976 13384 1 16 . 1 1 75 75 MET CB C 75 30.693 30.693 31.563 -0.870 18976 13385 1 16 . 1 1 75 75 MET H H 75 8.077 8.077 7.988 0.089 18976 13386 1 16 . 1 1 76 76 ALA N N 76 122.410 122.410 122.537 -0.127 18976 13387 1 16 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.962 0.127 18976 13388 1 16 . 1 1 76 76 ALA C C 76 179.683 179.683 179.384 0.299 18976 13389 1 16 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.689 -0.313 18976 13390 1 16 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.037 -0.258 18976 13391 1 16 . 1 1 76 76 ALA H H 76 8.303 8.303 7.453 0.850 18976 13392 1 16 . 1 1 77 77 ARG N N 77 116.451 116.451 118.101 -1.650 18976 13393 1 16 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.077 0.025 18976 13394 1 16 . 1 1 77 77 ARG C C 77 177.701 177.701 178.193 -0.492 18976 13395 1 16 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.283 -0.241 18976 13396 1 16 . 1 1 77 77 ARG CB C 77 30.008 30.008 29.987 0.021 18976 13397 1 16 . 1 1 77 77 ARG H H 77 7.622 7.622 7.852 -0.230 18976 13398 1 16 . 1 1 78 78 LYS N N 78 118.021 118.021 117.010 1.011 18976 13399 1 16 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.262 -0.023 18976 13400 1 16 . 1 1 78 78 LYS C C 78 177.525 177.525 178.377 -0.852 18976 13401 1 16 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.119 -1.398 18976 13402 1 16 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.799 -0.586 18976 13403 1 16 . 1 1 78 78 LYS H H 78 7.577 7.577 7.690 -0.113 18976 13404 1 16 . 1 1 79 79 MET N N 79 118.929 118.929 119.184 -0.255 18976 13405 1 16 . 1 1 79 79 MET HA H 79 4.351 4.351 4.156 0.195 18976 13406 1 16 . 1 1 79 79 MET C C 79 176.322 176.322 176.438 -0.116 18976 13407 1 16 . 1 1 79 79 MET CA C 79 56.345 56.345 56.471 -0.126 18976 13408 1 16 . 1 1 79 79 MET CB C 79 32.946 32.946 33.041 -0.095 18976 13409 1 16 . 1 1 79 79 MET H H 79 7.772 7.772 7.869 -0.097 18976 13410 1 16 . 1 1 80 80 LYS N N 80 120.686 120.686 117.827 2.859 18976 13411 1 16 . 1 1 80 80 LYS HA H 80 4.327 4.327 3.902 0.425 18976 13412 1 16 . 1 1 80 80 LYS C C 80 176.395 176.395 175.392 1.003 18976 13413 1 16 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.436 -1.292 18976 13414 1 16 . 1 1 80 80 LYS CB C 80 32.808 32.808 30.469 2.339 18976 13415 1 16 . 1 1 80 80 LYS H H 80 7.955 7.955 7.887 0.068 18976 13416 1 16 . 1 1 81 81 ASP N N 81 121.721 121.721 118.798 2.923 18976 13417 1 16 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.562 0.127 18976 13418 1 16 . 1 1 81 81 ASP C C 81 176.644 176.644 178.181 -1.537 18976 13419 1 16 . 1 1 81 81 ASP CA C 81 54.286 54.286 54.769 -0.483 18976 13420 1 16 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.654 -0.862 18976 13421 1 16 . 1 1 81 81 ASP H H 81 8.341 8.341 8.182 0.159 18976 13422 1 16 . 1 1 82 82 THR N N 82 114.594 114.594 111.822 2.772 18976 13423 1 16 . 1 1 82 82 THR HA H 82 4.323 4.323 4.196 0.127 18976 13424 1 16 . 1 1 82 82 THR C C 82 174.584 174.584 176.135 -1.551 18976 13425 1 16 . 1 1 82 82 THR CA C 82 61.955 61.955 64.875 -2.920 18976 13426 1 16 . 1 1 82 82 THR CB C 82 69.586 69.586 68.406 1.181 18976 13427 1 16 . 1 1 82 82 THR H H 82 8.123 8.123 8.010 0.113 18976 13428 1 16 . 1 1 83 83 ASP N N 83 123.126 123.126 120.608 2.518 18976 13429 1 16 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.704 -0.005 18976 13430 1 16 . 1 1 83 83 ASP C C 83 176.674 176.674 176.880 -0.206 18976 13431 1 16 . 1 1 83 83 ASP CA C 83 54.491 54.491 54.487 0.004 18976 13432 1 16 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.240 0.800 18976 13433 1 16 . 1 1 83 83 ASP H H 83 8.439 8.439 8.479 -0.040 18976 13434 1 16 . 1 1 84 84 SER N N 84 116.982 116.982 114.680 2.302 18976 13435 1 16 . 1 1 84 84 SER HA H 84 4.458 4.458 4.378 0.080 18976 13436 1 16 . 1 1 84 84 SER C C 84 175.393 175.393 175.411 -0.018 18976 13437 1 16 . 1 1 84 84 SER CA C 84 58.943 58.943 60.507 -1.564 18976 13438 1 16 . 1 1 84 84 SER CB C 84 63.550 63.550 63.914 -0.364 18976 13439 1 16 . 1 1 84 84 SER H H 84 8.418 8.418 7.586 0.832 18976 13440 1 16 . 1 1 85 85 GLU N N 85 122.632 122.632 121.273 1.359 18976 13441 1 16 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.030 0.181 18976 13442 1 16 . 1 1 85 85 GLU C C 85 177.716 177.716 178.453 -0.737 18976 13443 1 16 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.502 -0.963 18976 13444 1 16 . 1 1 85 85 GLU CB C 85 29.227 29.227 29.115 0.112 18976 13445 1 16 . 1 1 85 85 GLU H H 85 8.504 8.504 7.744 0.760 18976 13446 1 16 . 1 1 86 86 GLU N N 86 119.077 119.077 120.421 -1.344 18976 13447 1 16 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.086 -0.025 18976 13448 1 16 . 1 1 86 86 GLU C C 86 178.885 178.885 178.837 0.048 18976 13449 1 16 . 1 1 86 86 GLU CA C 86 59.365 59.365 59.152 0.213 18976 13450 1 16 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.295 -0.230 18976 13451 1 16 . 1 1 86 86 GLU H H 86 8.333 8.333 8.450 -0.117 18976 13452 1 16 . 1 1 87 87 GLU N N 87 119.138 119.138 120.324 -1.186 18976 13453 1 16 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.126 0.020 18976 13454 1 16 . 1 1 87 87 GLU C C 87 179.823 179.823 179.042 0.781 18976 13455 1 16 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.994 -0.084 18976 13456 1 16 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.189 0.077 18976 13457 1 16 . 1 1 87 87 GLU H H 87 8.130 8.130 7.903 0.227 18976 13458 1 16 . 1 1 88 88 LEU N N 88 122.103 122.103 120.408 1.695 18976 13459 1 16 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.322 0.069 18976 13460 1 16 . 1 1 88 88 LEU C C 88 178.905 178.905 178.346 0.559 18976 13461 1 16 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.041 0.674 18976 13462 1 16 . 1 1 88 88 LEU CB C 88 41.861 41.861 42.090 -0.229 18976 13463 1 16 . 1 1 88 88 LEU H H 88 8.152 8.152 8.158 -0.006 18976 13464 1 16 . 1 1 89 89 ARG N N 89 120.092 120.092 119.952 0.140 18976 13465 1 16 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.105 -0.055 18976 13466 1 16 . 1 1 89 89 ARG C C 89 179.507 179.507 178.316 1.191 18976 13467 1 16 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.779 -0.368 18976 13468 1 16 . 1 1 89 89 ARG CB C 89 29.460 29.460 30.163 -0.703 18976 13469 1 16 . 1 1 89 89 ARG H H 89 8.499 8.499 8.209 0.290 18976 13470 1 16 . 1 1 90 90 GLU N N 90 119.315 119.315 118.301 1.014 18976 13471 1 16 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.159 0.008 18976 13472 1 16 . 1 1 90 90 GLU C C 90 178.068 178.068 178.074 -0.006 18976 13473 1 16 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.172 -0.582 18976 13474 1 16 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.812 -0.883 18976 13475 1 16 . 1 1 90 90 GLU H H 90 8.040 8.040 7.787 0.253 18976 13476 1 16 . 1 1 91 91 ALA N N 91 121.794 121.794 121.401 0.393 18976 13477 1 16 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.199 0.012 18976 13478 1 16 . 1 1 91 91 ALA C C 91 179.855 179.855 179.778 0.077 18976 13479 1 16 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.676 0.050 18976 13480 1 16 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.432 -0.862 18976 13481 1 16 . 1 1 91 91 ALA H H 91 7.996 7.996 7.679 0.317 18976 13482 1 16 . 1 1 92 92 PHE N N 92 119.368 119.368 118.470 0.898 18976 13483 1 16 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.803 -0.673 18976 13484 1 16 . 1 1 92 92 PHE C C 92 176.454 176.454 176.366 0.088 18976 13485 1 16 . 1 1 92 92 PHE CA C 92 61.232 61.232 59.995 1.237 18976 13486 1 16 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.331 -0.404 18976 13487 1 16 . 1 1 92 92 PHE H H 92 8.360 8.360 8.021 0.339 18976 13488 1 16 . 1 1 93 93 ARG N N 93 117.178 117.178 120.319 -3.141 18976 13489 1 16 . 1 1 93 93 ARG HA H 93 3.865 3.865 4.079 -0.214 18976 13490 1 16 . 1 1 93 93 ARG C C 93 178.421 178.421 178.059 0.362 18976 13491 1 16 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.182 0.659 18976 13492 1 16 . 1 1 93 93 ARG CB C 93 29.906 29.906 29.580 0.326 18976 13493 1 16 . 1 1 93 93 ARG H H 93 7.895 7.895 7.384 0.511 18976 13494 1 16 . 1 1 94 94 VAL N N 94 115.719 115.719 114.902 0.817 18976 13495 1 16 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.751 -0.151 18976 13496 1 16 . 1 1 94 94 VAL C C 94 177.334 177.334 177.101 0.233 18976 13497 1 16 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.555 -0.523 18976 13498 1 16 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.152 0.392 18976 13499 1 16 . 1 1 94 94 VAL H H 94 7.541 7.541 7.888 -0.347 18976 13500 1 16 . 1 1 95 95 GLU N N 95 117.921 117.921 118.153 -0.232 18976 13501 1 16 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.049 -0.041 18976 13502 1 16 . 1 1 95 95 GLU C C 95 176.953 176.953 176.585 0.368 18976 13503 1 16 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.044 0.212 18976 13504 1 16 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.784 -1.097 18976 13505 1 16 . 1 1 95 95 GLU H H 95 7.011 7.011 7.455 -0.444 18976 13506 1 16 . 1 1 96 96 ASP N N 96 117.365 117.365 119.354 -1.989 18976 13507 1 16 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.639 -0.189 18976 13508 1 16 . 1 1 96 96 ASP C C 96 177.202 177.202 176.448 0.754 18976 13509 1 16 . 1 1 96 96 ASP CA C 96 51.473 51.473 53.485 -2.012 18976 13510 1 16 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.320 -2.246 18976 13511 1 16 . 1 1 96 96 ASP H H 96 7.626 7.626 7.408 0.218 18976 13512 1 16 . 1 1 97 97 LYS N N 97 124.733 124.733 124.593 0.140 18976 13513 1 16 . 1 1 97 97 LYS HA H 97 3.901 3.901 3.979 -0.078 18976 13514 1 16 . 1 1 97 97 LYS C C 97 178.333 178.333 178.080 0.253 18976 13515 1 16 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.177 0.428 18976 13516 1 16 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.571 -0.140 18976 13517 1 16 . 1 1 97 97 LYS H H 97 7.357 7.357 7.742 -0.385 18976 13518 1 16 . 1 1 98 98 ASP N N 98 114.048 114.048 115.074 -1.026 18976 13519 1 16 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.441 0.127 18976 13520 1 16 . 1 1 98 98 ASP C C 98 177.775 177.775 177.468 0.307 18976 13521 1 16 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.329 -1.672 18976 13522 1 16 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.450 -0.857 18976 13523 1 16 . 1 1 98 98 ASP H H 98 8.352 8.352 7.932 0.420 18976 13524 1 16 . 1 1 99 99 GLY N N 99 109.454 109.454 108.863 0.591 18976 13525 1 16 . 1 1 99 99 GLY C C 99 175.082 175.082 175.510 -0.428 18976 13526 1 16 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.754 1.073 18976 13527 1 16 . 1 1 99 99 GLY H H 99 7.828 7.828 8.027 -0.199 18976 13528 1 16 . 1 1 100 100 ASN N N 100 119.607 119.607 118.959 0.648 18976 13529 1 16 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.581 0.054 18976 13530 1 16 . 1 1 100 100 ASN C C 100 175.969 175.969 176.545 -0.576 18976 13531 1 16 . 1 1 100 100 ASN CA C 100 52.483 52.483 53.349 -0.866 18976 13532 1 16 . 1 1 100 100 ASN CB C 100 37.881 37.881 38.548 -0.667 18976 13533 1 16 . 1 1 100 100 ASN H H 100 8.334 8.334 8.379 -0.045 18976 13534 1 16 . 1 1 101 101 GLY N N 101 113.007 113.007 107.619 5.388 18976 13535 1 16 . 1 1 101 101 GLY C C 101 172.314 172.314 173.293 -0.979 18976 13536 1 16 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.100 -0.418 18976 13537 1 16 . 1 1 101 101 GLY H H 101 10.640 10.640 8.850 1.790 18976 13538 1 16 . 1 1 102 102 TYR N N 102 115.913 115.913 114.191 1.722 18976 13539 1 16 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.844 -0.658 18976 13540 1 16 . 1 1 102 102 TYR C C 102 174.736 174.736 173.888 0.848 18976 13541 1 16 . 1 1 102 102 TYR CA C 102 55.662 55.662 55.100 0.562 18976 13542 1 16 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.809 1.992 18976 13543 1 16 . 1 1 102 102 TYR H H 102 7.610 7.610 8.006 -0.396 18976 13544 1 16 . 1 1 103 103 ILE N N 103 127.698 127.698 123.358 4.340 18976 13545 1 16 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.690 0.126 18976 13546 1 16 . 1 1 103 103 ILE C C 103 175.634 175.634 176.338 -0.704 18976 13547 1 16 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.328 1.111 18976 13548 1 16 . 1 1 103 103 ILE CB C 103 38.919 38.919 37.572 1.347 18976 13549 1 16 . 1 1 103 103 ILE H H 103 10.228 10.228 8.539 1.689 18976 13550 1 16 . 1 1 104 104 SER N N 104 123.581 123.581 122.348 1.233 18976 13551 1 16 . 1 1 104 104 SER HA H 104 4.849 4.849 4.822 0.027 18976 13552 1 16 . 1 1 104 104 SER C C 104 175.191 175.191 175.287 -0.096 18976 13553 1 16 . 1 1 104 104 SER CA C 104 55.499 55.499 56.110 -0.611 18976 13554 1 16 . 1 1 104 104 SER CB C 104 66.371 66.371 65.169 1.202 18976 13555 1 16 . 1 1 104 104 SER H H 104 8.947 8.947 8.297 0.650 18976 13556 1 16 . 1 1 105 105 ALA N N 105 122.829 122.829 127.444 -4.615 18976 13557 1 16 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.108 -0.179 18976 13558 1 16 . 1 1 105 105 ALA C C 105 179.272 179.272 178.879 0.393 18976 13559 1 16 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.249 0.411 18976 13560 1 16 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.585 -0.902 18976 13561 1 16 . 1 1 105 105 ALA H H 105 9.251 9.251 9.155 0.096 18976 13562 1 16 . 1 1 106 106 ALA N N 106 118.442 118.442 120.775 -2.333 18976 13563 1 16 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.936 0.101 18976 13564 1 16 . 1 1 106 106 ALA C C 106 181.180 181.180 178.635 2.545 18976 13565 1 16 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.934 -0.093 18976 13566 1 16 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.050 -0.007 18976 13567 1 16 . 1 1 106 106 ALA H H 106 8.209 8.209 7.695 0.514 18976 13568 1 16 . 1 1 107 107 GLU N N 107 118.406 118.406 118.140 0.266 18976 13569 1 16 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.095 -0.103 18976 13570 1 16 . 1 1 107 107 GLU C C 107 179.272 179.272 178.636 0.636 18976 13571 1 16 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.397 0.744 18976 13572 1 16 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.449 -0.693 18976 13573 1 16 . 1 1 107 107 GLU H H 107 7.752 7.752 7.710 0.042 18976 13574 1 16 . 1 1 108 108 LEU N N 108 122.413 122.413 120.693 1.720 18976 13575 1 16 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.959 0.113 18976 13576 1 16 . 1 1 108 108 LEU C C 108 178.553 178.553 178.863 -0.310 18976 13577 1 16 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.930 -0.638 18976 13578 1 16 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.677 -0.234 18976 13579 1 16 . 1 1 108 108 LEU H H 108 8.793 8.793 7.949 0.844 18976 13580 1 16 . 1 1 109 109 ARG N N 109 118.074 118.074 118.439 -0.365 18976 13581 1 16 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.972 -0.115 18976 13582 1 16 . 1 1 109 109 ARG C C 109 179.140 179.140 179.107 0.033 18976 13583 1 16 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.044 0.742 18976 13584 1 16 . 1 1 109 109 ARG CB C 109 29.824 29.824 29.576 0.248 18976 13585 1 16 . 1 1 109 109 ARG H H 109 8.421 8.421 7.804 0.617 18976 13586 1 16 . 1 1 110 110 ILE N N 110 120.191 120.191 119.605 0.586 18976 13587 1 16 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.982 -0.195 18976 13588 1 16 . 1 1 110 110 ILE C C 110 177.804 177.804 177.620 0.184 18976 13589 1 16 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.254 1.299 18976 13590 1 16 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.017 0.041 18976 13591 1 16 . 1 1 110 110 ILE H H 110 7.401 7.401 7.333 0.068 18976 13592 1 16 . 1 1 111 111 VAL N N 111 120.330 120.330 121.582 -1.252 18976 13593 1 16 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.805 -0.042 18976 13594 1 16 . 1 1 111 111 VAL C C 111 178.802 178.802 178.262 0.540 18976 13595 1 16 . 1 1 111 111 VAL CA C 111 65.690 65.690 66.028 -0.338 18976 13596 1 16 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.849 -0.257 18976 13597 1 16 . 1 1 111 111 VAL H H 111 7.907 7.907 7.371 0.536 18976 13598 1 16 . 1 1 112 112 MET N N 112 116.794 116.794 116.578 0.216 18976 13599 1 16 . 1 1 112 112 MET HA H 112 4.396 4.396 4.290 0.106 18976 13600 1 16 . 1 1 112 112 MET C C 112 178.890 178.890 178.438 0.452 18976 13601 1 16 . 1 1 112 112 MET CA C 112 56.719 56.719 55.825 0.894 18976 13602 1 16 . 1 1 112 112 MET CB C 112 30.384 30.384 30.776 -0.392 18976 13603 1 16 . 1 1 112 112 MET H H 112 8.355 8.355 8.544 -0.189 18976 13604 1 16 . 1 1 113 113 THR N N 113 117.282 117.282 115.049 2.233 18976 13605 1 16 . 1 1 113 113 THR HA H 113 4.187 4.187 3.989 0.198 18976 13606 1 16 . 1 1 113 113 THR C C 113 178.112 178.112 176.212 1.900 18976 13607 1 16 . 1 1 113 113 THR CA C 113 65.902 65.902 67.085 -1.183 18976 13608 1 16 . 1 1 113 113 THR CB C 113 68.642 68.642 68.293 0.349 18976 13609 1 16 . 1 1 113 113 THR H H 113 8.314 8.314 7.795 0.519 18976 13610 1 16 . 1 1 114 114 ASN N N 114 122.220 122.220 117.983 4.237 18976 13611 1 16 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.575 0.017 18976 13612 1 16 . 1 1 114 114 ASN C C 114 176.644 176.644 176.981 -0.337 18976 13613 1 16 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.781 0.373 18976 13614 1 16 . 1 1 114 114 ASN CB C 114 37.596 37.596 37.941 -0.345 18976 13615 1 16 . 1 1 114 114 ASN H H 114 8.483 8.483 7.753 0.730 18976 13616 1 16 . 1 1 115 115 ARG N N 115 117.970 117.970 118.835 -0.865 18976 13617 1 16 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.327 0.102 18976 13618 1 16 . 1 1 115 115 ARG C C 115 176.366 176.366 177.200 -0.834 18976 13619 1 16 . 1 1 115 115 ARG CA C 115 56.399 56.399 57.058 -0.659 18976 13620 1 16 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.225 0.275 18976 13621 1 16 . 1 1 115 115 ARG H H 115 7.776 7.776 8.154 -0.378 18976 13622 1 16 . 1 1 116 116 GLY N N 116 107.547 107.547 106.864 0.683 18976 13623 1 16 . 1 1 116 116 GLY C C 116 174.384 174.384 174.395 -0.011 18976 13624 1 16 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.549 -0.342 18976 13625 1 16 . 1 1 116 116 GLY H H 116 7.968 7.968 7.880 0.088 18976 13626 1 16 . 1 1 117 117 GLU N N 117 119.975 119.975 120.288 -0.313 18976 13627 1 16 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.397 0.009 18976 13628 1 16 . 1 1 117 117 GLU C C 117 175.558 175.558 175.610 -0.052 18976 13629 1 16 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.415 0.762 18976 13630 1 16 . 1 1 117 117 GLU CB C 117 30.400 30.400 28.984 1.416 18976 13631 1 16 . 1 1 117 117 GLU H H 117 7.934 7.934 7.793 0.141 18976 13632 1 16 . 1 1 118 118 LYS N N 118 124.035 124.035 120.890 3.145 18976 13633 1 16 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.086 0.318 18976 13634 1 16 . 1 1 118 118 LYS C C 118 175.441 175.441 176.374 -0.933 18976 13635 1 16 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.911 -1.644 18976 13636 1 16 . 1 1 118 118 LYS CB C 118 31.850 31.850 31.960 -0.110 18976 13637 1 16 . 1 1 118 118 LYS H H 118 8.626 8.626 7.663 0.963 18976 13638 1 16 . 1 1 119 119 LEU N N 119 124.745 124.745 126.734 -1.989 18976 13639 1 16 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.442 0.328 18976 13640 1 16 . 1 1 119 119 LEU C C 119 178.127 178.127 177.520 0.607 18976 13641 1 16 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.668 0.171 18976 13642 1 16 . 1 1 119 119 LEU CB C 119 44.323 44.323 43.685 0.638 18976 13643 1 16 . 1 1 119 119 LEU H H 119 8.140 8.140 8.065 0.075 18976 13644 1 16 . 1 1 120 120 THR N N 120 114.555 114.555 118.482 -3.927 18976 13645 1 16 . 1 1 120 120 THR HA H 120 4.477 4.477 4.175 0.302 18976 13646 1 16 . 1 1 120 120 THR C C 120 175.514 175.514 175.202 0.312 18976 13647 1 16 . 1 1 120 120 THR CA C 120 60.613 60.613 62.981 -2.368 18976 13648 1 16 . 1 1 120 120 THR CB C 120 70.902 70.902 69.523 1.379 18976 13649 1 16 . 1 1 120 120 THR H H 120 9.220 9.220 8.563 0.657 18976 13650 1 16 . 1 1 121 121 ASP N N 121 121.128 121.128 122.653 -1.525 18976 13651 1 16 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.288 -0.060 18976 13652 1 16 . 1 1 121 121 ASP C C 121 178.655 178.655 178.390 0.265 18976 13653 1 16 . 1 1 121 121 ASP CA C 121 57.752 57.752 58.136 -0.384 18976 13654 1 16 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.763 -1.448 18976 13655 1 16 . 1 1 121 121 ASP H H 121 8.921 8.921 8.808 0.113 18976 13656 1 16 . 1 1 122 122 GLU N N 122 119.266 119.266 119.610 -0.344 18976 13657 1 16 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.029 0.090 18976 13658 1 16 . 1 1 122 122 GLU C C 122 179.184 179.184 178.394 0.790 18976 13659 1 16 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.465 0.307 18976 13660 1 16 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.504 -0.638 18976 13661 1 16 . 1 1 122 122 GLU H H 122 8.712 8.712 8.611 0.102 18976 13662 1 16 . 1 1 123 123 GLU N N 123 120.455 120.455 118.472 1.983 18976 13663 1 16 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.100 -0.077 18976 13664 1 16 . 1 1 123 123 GLU C C 123 180.123 180.123 179.283 0.840 18976 13665 1 16 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.912 0.178 18976 13666 1 16 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.443 0.770 18976 13667 1 16 . 1 1 123 123 GLU H H 123 7.763 7.763 7.667 0.096 18976 13668 1 16 . 1 1 124 124 VAL N N 124 121.726 121.726 115.802 5.924 18976 13669 1 16 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.831 -0.224 18976 13670 1 16 . 1 1 124 124 VAL C C 124 177.337 177.337 177.162 0.175 18976 13671 1 16 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.412 0.320 18976 13672 1 16 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.044 -0.002 18976 13673 1 16 . 1 1 124 124 VAL H H 124 8.119 8.119 8.136 -0.017 18976 13674 1 16 . 1 1 125 125 ASP N N 125 119.880 119.880 121.229 -1.349 18976 13675 1 16 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.365 -0.014 18976 13676 1 16 . 1 1 125 125 ASP C C 125 179.323 179.323 177.937 1.386 18976 13677 1 16 . 1 1 125 125 ASP CA C 125 57.375 57.375 58.000 -0.625 18976 13678 1 16 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.791 -0.679 18976 13679 1 16 . 1 1 125 125 ASP H H 125 8.051 8.051 7.588 0.463 18976 13680 1 16 . 1 1 126 126 GLU N N 126 119.798 119.798 120.346 -0.548 18976 13681 1 16 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.046 -0.025 18976 13682 1 16 . 1 1 126 126 GLU C C 126 177.966 177.966 178.946 -0.980 18976 13683 1 16 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.430 -0.457 18976 13684 1 16 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.630 -0.546 18976 13685 1 16 . 1 1 126 126 GLU H H 126 8.047 8.047 8.129 -0.082 18976 13686 1 16 . 1 1 127 127 MET N N 127 119.443 119.443 117.327 2.116 18976 13687 1 16 . 1 1 127 127 MET HA H 127 4.137 4.137 4.448 -0.311 18976 13688 1 16 . 1 1 127 127 MET C C 127 179.859 179.859 178.717 1.142 18976 13689 1 16 . 1 1 127 127 MET CA C 127 59.137 59.137 58.999 0.138 18976 13690 1 16 . 1 1 127 127 MET CB C 127 32.239 32.239 32.882 -0.643 18976 13691 1 16 . 1 1 127 127 MET H H 127 7.795 7.795 7.480 0.315 18976 13692 1 16 . 1 1 128 128 ILE N N 128 120.667 120.667 117.757 2.910 18976 13693 1 16 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.864 -0.343 18976 13694 1 16 . 1 1 128 128 ILE C C 128 177.657 177.657 178.503 -0.846 18976 13695 1 16 . 1 1 128 128 ILE CA C 128 63.812 63.812 62.864 0.948 18976 13696 1 16 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.652 -0.665 18976 13697 1 16 . 1 1 128 128 ILE H H 128 8.158 8.158 7.592 0.566 18976 13698 1 16 . 1 1 129 129 ARG N N 129 119.725 119.725 119.151 0.574 18976 13699 1 16 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.079 -0.010 18976 13700 1 16 . 1 1 129 129 ARG C C 129 178.920 178.920 177.773 1.147 18976 13701 1 16 . 1 1 129 129 ARG CA C 129 59.615 59.615 59.222 0.393 18976 13702 1 16 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.278 -0.396 18976 13703 1 16 . 1 1 129 129 ARG H H 129 8.270 8.270 7.744 0.526 18976 13704 1 16 . 1 1 130 130 GLU N N 130 115.236 115.236 115.186 0.050 18976 13705 1 16 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.131 -0.037 18976 13706 1 16 . 1 1 130 130 GLU C C 130 177.349 177.349 177.097 0.252 18976 13707 1 16 . 1 1 130 130 GLU CA C 130 57.900 57.900 57.993 -0.093 18976 13708 1 16 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.772 0.051 18976 13709 1 16 . 1 1 130 130 GLU H H 130 7.953 7.953 7.972 -0.019 18976 13710 1 16 . 1 1 131 131 THR N N 131 112.585 112.585 109.767 2.818 18976 13711 1 16 . 1 1 131 131 THR HA H 131 4.239 4.239 4.408 -0.169 18976 13712 1 16 . 1 1 131 131 THR C C 131 174.149 174.149 174.153 -0.004 18976 13713 1 16 . 1 1 131 131 THR CA C 131 62.887 62.887 62.819 0.068 18976 13714 1 16 . 1 1 131 131 THR CB C 131 69.337 69.337 70.688 -1.351 18976 13715 1 16 . 1 1 131 131 THR H H 131 7.465 7.465 7.406 0.059 18976 13716 1 16 . 1 1 132 132 ASP N N 132 121.237 121.237 121.459 -0.222 18976 13717 1 16 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.906 -0.428 18976 13718 1 16 . 1 1 132 132 ASP C C 132 175.777 175.777 177.157 -1.380 18976 13719 1 16 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.973 0.981 18976 13720 1 16 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.885 -2.445 18976 13721 1 16 . 1 1 132 132 ASP H H 132 8.070 8.070 7.854 0.216 18976 13722 1 16 . 1 1 133 133 ILE N N 133 127.244 127.244 120.474 6.770 18976 13723 1 16 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.248 -0.272 18976 13724 1 16 . 1 1 133 133 ILE C C 133 177.628 177.628 176.183 1.445 18976 13725 1 16 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.521 0.345 18976 13726 1 16 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.287 0.191 18976 13727 1 16 . 1 1 133 133 ILE H H 133 8.345 8.345 8.358 -0.013 18976 13728 1 16 . 1 1 134 134 ASP N N 134 116.893 116.893 119.942 -3.049 18976 13729 1 16 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.595 -0.062 18976 13730 1 16 . 1 1 134 134 ASP C C 134 178.259 178.259 177.403 0.856 18976 13731 1 16 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.869 -0.326 18976 13732 1 16 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.547 -0.709 18976 13733 1 16 . 1 1 134 134 ASP H H 134 8.297 8.297 8.197 0.100 18976 13734 1 16 . 1 1 135 135 GLY N N 135 108.287 108.287 108.477 -0.190 18976 13735 1 16 . 1 1 135 135 GLY C C 135 175.250 175.250 175.506 -0.256 18976 13736 1 16 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.952 1.145 18976 13737 1 16 . 1 1 135 135 GLY H H 135 7.623 7.623 8.098 -0.475 18976 13738 1 16 . 1 1 136 136 ASP N N 136 120.541 120.541 120.578 -0.037 18976 13739 1 16 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.508 -0.028 18976 13740 1 16 . 1 1 136 136 ASP C C 136 177.584 177.584 177.927 -0.343 18976 13741 1 16 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.787 -0.412 18976 13742 1 16 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.041 -1.148 18976 13743 1 16 . 1 1 136 136 ASP H H 136 8.290 8.290 8.423 -0.133 18976 13744 1 16 . 1 1 137 137 GLY N N 137 112.490 112.490 108.927 3.563 18976 13745 1 16 . 1 1 137 137 GLY C C 137 172.828 172.828 173.419 -0.591 18976 13746 1 16 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.116 0.354 18976 13747 1 16 . 1 1 137 137 GLY H H 137 10.224 10.224 7.998 2.226 18976 13748 1 16 . 1 1 138 138 GLN N N 138 115.266 115.266 116.758 -1.492 18976 13749 1 16 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.304 -0.435 18976 13750 1 16 . 1 1 138 138 GLN C C 138 174.677 174.677 174.528 0.149 18976 13751 1 16 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.320 -1.534 18976 13752 1 16 . 1 1 138 138 GLN CB C 138 31.743 31.743 34.574 -2.831 18976 13753 1 16 . 1 1 138 138 GLN H H 138 7.992 7.992 8.530 -0.538 18976 13754 1 16 . 1 1 139 139 VAL N N 139 125.667 125.667 121.982 3.685 18976 13755 1 16 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.604 0.508 18976 13756 1 16 . 1 1 139 139 VAL C C 139 175.763 175.763 175.712 0.051 18976 13757 1 16 . 1 1 139 139 VAL CA C 139 61.679 61.679 60.614 1.065 18976 13758 1 16 . 1 1 139 139 VAL CB C 139 33.532 33.532 31.780 1.752 18976 13759 1 16 . 1 1 139 139 VAL H H 139 9.227 9.227 8.452 0.775 18976 13760 1 16 . 1 1 140 140 ASN N N 140 128.431 128.431 126.354 2.077 18976 13761 1 16 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.519 -0.245 18976 13762 1 16 . 1 1 140 140 ASN C C 140 175.079 175.079 176.445 -1.366 18976 13763 1 16 . 1 1 140 140 ASN CA C 140 50.666 50.666 52.007 -1.341 18976 13764 1 16 . 1 1 140 140 ASN CB C 140 38.227 38.227 40.780 -2.553 18976 13765 1 16 . 1 1 140 140 ASN H H 140 9.360 9.360 8.686 0.674 18976 13766 1 16 . 1 1 141 141 TYR N N 141 119.146 119.146 121.504 -2.358 18976 13767 1 16 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.642 -0.256 18976 13768 1 16 . 1 1 141 141 TYR C C 141 176.092 176.092 177.656 -1.564 18976 13769 1 16 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.802 -0.744 18976 13770 1 16 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.456 -1.097 18976 13771 1 16 . 1 1 141 141 TYR H H 141 8.451 8.451 9.001 -0.550 18976 13772 1 16 . 1 1 142 142 GLU N N 142 118.431 118.431 119.262 -0.831 18976 13773 1 16 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.952 -0.270 18976 13774 1 16 . 1 1 142 142 GLU C C 142 180.226 180.226 178.814 1.412 18976 13775 1 16 . 1 1 142 142 GLU CA C 142 60.083 60.083 60.263 -0.180 18976 13776 1 16 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.114 -0.568 18976 13777 1 16 . 1 1 142 142 GLU H H 142 8.097 8.097 8.525 -0.428 18976 13778 1 16 . 1 1 143 143 GLU N N 143 120.068 120.068 119.375 0.693 18976 13779 1 16 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.123 -0.133 18976 13780 1 16 . 1 1 143 143 GLU C C 143 179.060 179.060 178.952 0.108 18976 13781 1 16 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.266 -0.692 18976 13782 1 16 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.390 -0.207 18976 13783 1 16 . 1 1 143 143 GLU H H 143 8.667 8.667 8.281 0.386 18976 13784 1 16 . 1 1 144 144 PHE N N 144 123.392 123.392 120.482 2.910 18976 13785 1 16 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.142 -0.175 18976 13786 1 16 . 1 1 144 144 PHE C C 144 176.982 176.982 177.306 -0.324 18976 13787 1 16 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.185 0.261 18976 13788 1 16 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.200 0.495 18976 13789 1 16 . 1 1 144 144 PHE H H 144 8.731 8.731 8.280 0.451 18976 13790 1 16 . 1 1 145 145 VAL N N 145 119.201 119.201 118.878 0.323 18976 13791 1 16 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.332 -0.139 18976 13792 1 16 . 1 1 145 145 VAL C C 145 179.228 179.228 177.527 1.701 18976 13793 1 16 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.960 0.702 18976 13794 1 16 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.482 -0.198 18976 13795 1 16 . 1 1 145 145 VAL H H 145 8.671 8.671 7.924 0.747 18976 13796 1 16 . 1 1 146 146 GLN N N 146 119.252 119.252 118.094 1.158 18976 13797 1 16 . 1 1 146 146 GLN HA H 146 3.916 3.916 4.036 -0.120 18976 13798 1 16 . 1 1 146 146 GLN C C 146 177.825 177.825 177.167 0.658 18976 13799 1 16 . 1 1 146 146 GLN CA C 146 58.567 58.567 57.892 0.675 18976 13800 1 16 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.345 -0.525 18976 13801 1 16 . 1 1 146 146 GLN H H 146 7.767 7.767 7.750 0.017 18976 13802 1 16 . 1 1 147 147 ARG N N 147 118.529 118.529 117.927 0.602 18976 13803 1 16 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.303 -0.131 18976 13804 1 16 . 1 1 147 147 ARG C C 147 178.112 178.112 177.887 0.225 18976 13805 1 16 . 1 1 147 147 ARG CA C 147 57.509 57.509 57.599 -0.090 18976 13806 1 16 . 1 1 147 147 ARG CB C 147 30.114 30.114 30.321 -0.207 18976 13807 1 16 . 1 1 147 147 ARG H H 147 7.628 7.628 7.440 0.188 18976 13808 1 16 . 1 1 148 148 MET N N 148 115.755 115.755 115.824 -0.069 18976 13809 1 16 . 1 1 148 148 MET HA H 148 4.304 4.304 4.442 -0.138 18976 13810 1 16 . 1 1 148 148 MET C C 148 177.628 177.628 177.624 0.004 18976 13811 1 16 . 1 1 148 148 MET CA C 148 55.489 55.489 55.733 -0.244 18976 13812 1 16 . 1 1 148 148 MET CB C 148 31.773 31.773 31.604 0.169 18976 13813 1 16 . 1 1 148 148 MET H H 148 8.003 8.003 7.419 0.584 18976 13814 1 16 . 1 1 149 149 THR N N 149 110.062 110.062 113.961 -3.899 18976 13815 1 16 . 1 1 149 149 THR HA H 149 4.349 4.349 4.382 -0.033 18976 13816 1 16 . 1 1 149 149 THR C C 149 174.149 174.149 173.519 0.630 18976 13817 1 16 . 1 1 149 149 THR CA C 149 61.775 61.775 61.573 0.202 18976 13818 1 16 . 1 1 149 149 THR CB C 149 69.780 69.780 68.621 1.159 18976 13819 1 16 . 1 1 149 149 THR H H 149 7.682 7.682 7.529 0.153 18976 13820 1 16 . 1 1 150 150 ALA N N 150 126.503 126.503 123.646 2.857 18976 13821 1 16 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.545 -0.215 18976 13822 1 16 . 1 1 150 150 ALA CA C 150 52.535 52.535 50.765 1.770 18976 13823 1 16 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.340 0.394 18976 13824 1 16 . 1 1 150 150 ALA H H 150 7.651 7.651 7.570 0.081 18976 13825 1 17 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.439 -0.018 18976 13826 1 17 . 1 1 2 2 LEU C C 2 177.129 177.129 176.164 0.965 18976 13827 1 17 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.698 -0.576 18976 13828 1 17 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.615 0.838 18976 13829 1 17 . 1 1 2 2 LEU H H 2 8.641 8.641 8.620 0.021 18976 13830 1 17 . 1 1 3 3 MET N N 3 120.143 120.143 123.120 -2.977 18976 13831 1 17 . 1 1 3 3 MET HA H 3 4.451 4.451 4.589 -0.138 18976 13832 1 17 . 1 1 3 3 MET C C 3 176.835 176.835 176.907 -0.072 18976 13833 1 17 . 1 1 3 3 MET CA C 3 55.160 55.160 55.995 -0.835 18976 13834 1 17 . 1 1 3 3 MET CB C 3 32.584 32.584 32.876 -0.292 18976 13835 1 17 . 1 1 3 3 MET H H 3 8.396 8.396 8.361 0.035 18976 13836 1 17 . 1 1 4 4 ALA N N 4 123.344 123.344 124.076 -0.732 18976 13837 1 17 . 1 1 4 4 ALA HA H 4 4.060 4.060 3.878 0.182 18976 13838 1 17 . 1 1 4 4 ALA C C 4 177.922 177.922 177.912 0.010 18976 13839 1 17 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.800 -1.250 18976 13840 1 17 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.718 -0.162 18976 13841 1 17 . 1 1 4 4 ALA H H 4 8.396 8.396 8.442 -0.046 18976 13842 1 17 . 1 1 5 5 ASP N N 5 116.052 116.052 114.191 1.861 18976 13843 1 17 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.527 -0.018 18976 13844 1 17 . 1 1 5 5 ASP C C 5 176.366 176.366 176.096 0.270 18976 13845 1 17 . 1 1 5 5 ASP CA C 5 54.623 54.623 54.110 0.513 18976 13846 1 17 . 1 1 5 5 ASP CB C 5 40.263 40.263 39.962 0.301 18976 13847 1 17 . 1 1 5 5 ASP H H 5 8.114 8.114 8.105 0.009 18976 13848 1 17 . 1 1 6 6 GLN N N 6 117.717 117.717 118.986 -1.269 18976 13849 1 17 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.417 -0.040 18976 13850 1 17 . 1 1 6 6 GLN C C 6 175.842 175.842 174.907 0.935 18976 13851 1 17 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.026 0.285 18976 13852 1 17 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.419 0.171 18976 13853 1 17 . 1 1 6 6 GLN H H 6 7.935 7.935 7.459 0.476 18976 13854 1 17 . 1 1 7 7 LEU N N 7 121.086 121.086 120.858 0.228 18976 13855 1 17 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.655 0.021 18976 13856 1 17 . 1 1 7 7 LEU C C 7 177.496 177.496 177.087 0.409 18976 13857 1 17 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.240 -0.176 18976 13858 1 17 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.931 0.337 18976 13859 1 17 . 1 1 7 7 LEU H H 7 7.713 7.713 7.793 -0.080 18976 13860 1 17 . 1 1 8 8 THR N N 8 112.688 112.688 111.177 1.511 18976 13861 1 17 . 1 1 8 8 THR HA H 8 4.475 4.475 4.516 -0.041 18976 13862 1 17 . 1 1 8 8 THR C C 8 175.511 175.511 175.211 0.300 18976 13863 1 17 . 1 1 8 8 THR CA C 8 60.256 60.256 60.959 -0.703 18976 13864 1 17 . 1 1 8 8 THR CB C 8 71.019 71.019 70.417 0.602 18976 13865 1 17 . 1 1 8 8 THR H H 8 8.800 8.800 8.080 0.720 18976 13866 1 17 . 1 1 9 9 GLU N N 9 120.380 120.380 121.947 -1.567 18976 13867 1 17 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.126 -0.146 18976 13868 1 17 . 1 1 9 9 GLU C C 9 179.492 179.492 178.940 0.552 18976 13869 1 17 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.629 0.297 18976 13870 1 17 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.397 -0.472 18976 13871 1 17 . 1 1 9 9 GLU H H 9 9.040 9.040 8.960 0.080 18976 13872 1 17 . 1 1 10 10 GLU N N 10 119.361 119.361 119.631 -0.270 18976 13873 1 17 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.096 -0.022 18976 13874 1 17 . 1 1 10 10 GLU C C 10 179.185 179.185 178.908 0.277 18976 13875 1 17 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.345 0.422 18976 13876 1 17 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.333 -0.537 18976 13877 1 17 . 1 1 10 10 GLU H H 10 8.729 8.729 8.656 0.073 18976 13878 1 17 . 1 1 11 11 GLN N N 11 120.302 120.302 119.293 1.009 18976 13879 1 17 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.122 -0.254 18976 13880 1 17 . 1 1 11 11 GLN C C 11 178.318 178.318 178.987 -0.669 18976 13881 1 17 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.715 -0.331 18976 13882 1 17 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.092 -0.207 18976 13883 1 17 . 1 1 11 11 GLN H H 11 7.747 7.747 7.565 0.182 18976 13884 1 17 . 1 1 12 12 ILE N N 12 119.533 119.533 120.410 -0.877 18976 13885 1 17 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.975 -0.257 18976 13886 1 17 . 1 1 12 12 ILE C C 12 177.731 177.731 178.163 -0.432 18976 13887 1 17 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.751 0.208 18976 13888 1 17 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.908 -0.397 18976 13889 1 17 . 1 1 12 12 ILE H H 12 8.456 8.456 8.549 -0.093 18976 13890 1 17 . 1 1 13 13 ALA N N 13 121.161 121.161 122.099 -0.938 18976 13891 1 17 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.924 0.215 18976 13892 1 17 . 1 1 13 13 ALA C C 13 181.019 181.019 179.284 1.735 18976 13893 1 17 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.421 -0.298 18976 13894 1 17 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.183 -0.679 18976 13895 1 17 . 1 1 13 13 ALA H H 13 8.018 8.018 7.794 0.224 18976 13896 1 17 . 1 1 14 14 GLU N N 14 119.619 119.619 118.156 1.463 18976 13897 1 17 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.104 0.060 18976 13898 1 17 . 1 1 14 14 GLU C C 14 180.534 180.534 179.041 1.493 18976 13899 1 17 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.521 0.603 18976 13900 1 17 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.155 -0.302 18976 13901 1 17 . 1 1 14 14 GLU H H 14 7.792 7.792 7.842 -0.050 18976 13902 1 17 . 1 1 15 15 PHE N N 15 120.089 120.089 121.080 -0.991 18976 13903 1 17 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.685 0.379 18976 13904 1 17 . 1 1 15 15 PHE C C 15 178.700 178.700 178.199 0.501 18976 13905 1 17 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.278 -2.421 18976 13906 1 17 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.080 -1.604 18976 13907 1 17 . 1 1 15 15 PHE H H 15 8.587 8.587 8.355 0.232 18976 13908 1 17 . 1 1 16 16 LYS N N 16 123.715 123.715 120.401 3.314 18976 13909 1 17 . 1 1 16 16 LYS HA H 16 4.045 4.045 3.954 0.091 18976 13910 1 17 . 1 1 16 16 LYS C C 16 179.327 179.327 179.003 0.324 18976 13911 1 17 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.982 -0.112 18976 13912 1 17 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.852 -0.279 18976 13913 1 17 . 1 1 16 16 LYS H H 16 9.256 9.256 8.419 0.837 18976 13914 1 17 . 1 1 17 17 GLU N N 17 120.262 120.262 119.096 1.166 18976 13915 1 17 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.086 0.070 18976 13916 1 17 . 1 1 17 17 GLU C C 17 179.456 179.456 178.972 0.484 18976 13917 1 17 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.151 -0.144 18976 13918 1 17 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.264 -0.455 18976 13919 1 17 . 1 1 17 17 GLU H H 17 7.774 7.774 7.735 0.039 18976 13920 1 17 . 1 1 18 18 ALA N N 18 122.590 122.590 121.962 0.628 18976 13921 1 17 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.247 0.068 18976 13922 1 17 . 1 1 18 18 ALA C C 18 179.060 179.060 179.687 -0.627 18976 13923 1 17 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.021 -0.192 18976 13924 1 17 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.657 -0.859 18976 13925 1 17 . 1 1 18 18 ALA H H 18 8.001 8.001 8.174 -0.173 18976 13926 1 17 . 1 1 19 19 PHE N N 19 119.363 119.363 118.806 0.557 18976 13927 1 17 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.695 -0.461 18976 13928 1 17 . 1 1 19 19 PHE C C 19 177.290 177.290 177.413 -0.123 18976 13929 1 17 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.885 0.872 18976 13930 1 17 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.962 0.176 18976 13931 1 17 . 1 1 19 19 PHE H H 19 8.859 8.859 8.227 0.632 18976 13932 1 17 . 1 1 20 20 SER N N 20 112.556 112.556 113.591 -1.035 18976 13933 1 17 . 1 1 20 20 SER HA H 20 4.142 4.142 4.221 -0.079 18976 13934 1 17 . 1 1 20 20 SER C C 20 174.955 174.955 175.788 -0.833 18976 13935 1 17 . 1 1 20 20 SER CA C 20 61.007 61.007 61.531 -0.524 18976 13936 1 17 . 1 1 20 20 SER CB C 20 62.960 62.960 63.285 -0.325 18976 13937 1 17 . 1 1 20 20 SER H H 20 7.934 7.934 8.181 -0.247 18976 13938 1 17 . 1 1 21 21 LEU N N 21 120.816 120.816 119.180 1.636 18976 13939 1 17 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.165 -0.149 18976 13940 1 17 . 1 1 21 21 LEU C C 21 178.010 178.010 177.935 0.075 18976 13941 1 17 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.523 -0.728 18976 13942 1 17 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.141 -0.009 18976 13943 1 17 . 1 1 21 21 LEU H H 21 7.434 7.434 7.509 -0.075 18976 13944 1 17 . 1 1 22 22 PHE N N 22 115.049 115.049 118.419 -3.370 18976 13945 1 17 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.255 -0.011 18976 13946 1 17 . 1 1 22 22 PHE C C 22 176.762 176.762 177.053 -0.291 18976 13947 1 17 . 1 1 22 22 PHE CA C 22 59.020 59.020 61.312 -2.292 18976 13948 1 17 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.248 1.482 18976 13949 1 17 . 1 1 22 22 PHE H H 22 7.326 7.326 7.630 -0.304 18976 13950 1 17 . 1 1 23 23 ASP N N 23 117.496 117.496 118.900 -1.404 18976 13951 1 17 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.935 -0.384 18976 13952 1 17 . 1 1 23 23 ASP C C 23 177.167 177.167 176.944 0.223 18976 13953 1 17 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.006 -0.965 18976 13954 1 17 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.378 -0.780 18976 13955 1 17 . 1 1 23 23 ASP H H 23 7.851 7.851 8.174 -0.323 18976 13956 1 17 . 1 1 24 24 LYS N N 24 124.470 124.470 122.728 1.742 18976 13957 1 17 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.007 -0.023 18976 13958 1 17 . 1 1 24 24 LYS C C 24 178.127 178.127 177.709 0.418 18976 13959 1 17 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.660 -0.502 18976 13960 1 17 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.474 -0.091 18976 13961 1 17 . 1 1 24 24 LYS H H 24 7.687 7.687 7.773 -0.086 18976 13962 1 17 . 1 1 25 25 ASP N N 25 113.822 113.822 114.948 -1.126 18976 13963 1 17 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.498 0.108 18976 13964 1 17 . 1 1 25 25 ASP C C 25 177.687 177.687 177.470 0.217 18976 13965 1 17 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.851 -1.392 18976 13966 1 17 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.197 -1.006 18976 13967 1 17 . 1 1 25 25 ASP H H 25 8.067 8.067 7.855 0.212 18976 13968 1 17 . 1 1 26 26 GLY N N 26 109.208 109.208 108.941 0.267 18976 13969 1 17 . 1 1 26 26 GLY C C 26 175.132 175.132 175.274 -0.142 18976 13970 1 17 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.181 0.693 18976 13971 1 17 . 1 1 26 26 GLY H H 26 7.698 7.698 7.626 0.072 18976 13972 1 17 . 1 1 27 27 ASP N N 27 120.603 120.603 120.078 0.525 18976 13973 1 17 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.605 -0.082 18976 13974 1 17 . 1 1 27 27 ASP C C 27 177.452 177.452 177.874 -0.422 18976 13975 1 17 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.512 -0.019 18976 13976 1 17 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.287 -1.039 18976 13977 1 17 . 1 1 27 27 ASP H H 27 8.397 8.397 8.474 -0.077 18976 13978 1 17 . 1 1 28 28 GLY N N 28 113.187 113.187 109.158 4.029 18976 13979 1 17 . 1 1 28 28 GLY C C 28 173.679 173.679 173.678 0.001 18976 13980 1 17 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.401 -0.220 18976 13981 1 17 . 1 1 28 28 GLY H H 28 10.648 10.648 8.560 2.088 18976 13982 1 17 . 1 1 29 29 THR N N 29 112.865 112.865 111.276 1.589 18976 13983 1 17 . 1 1 29 29 THR HA H 29 5.310 5.310 5.392 -0.082 18976 13984 1 17 . 1 1 29 29 THR C C 29 172.872 172.872 173.621 -0.749 18976 13985 1 17 . 1 1 29 29 THR CA C 29 59.764 59.764 61.024 -1.260 18976 13986 1 17 . 1 1 29 29 THR CB C 29 72.319 72.319 71.897 0.422 18976 13987 1 17 . 1 1 29 29 THR H H 29 8.144 8.144 8.583 -0.439 18976 13988 1 17 . 1 1 30 30 ILE N N 30 127.035 127.035 126.985 0.050 18976 13989 1 17 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.542 0.438 18976 13990 1 17 . 1 1 30 30 ILE C C 30 176.072 176.072 175.907 0.165 18976 13991 1 17 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.453 -0.309 18976 13992 1 17 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.909 1.393 18976 13993 1 17 . 1 1 30 30 ILE H H 30 9.821 9.821 8.911 0.910 18976 13994 1 17 . 1 1 31 31 THR N N 31 116.509 116.509 122.127 -5.618 18976 13995 1 17 . 1 1 31 31 THR HA H 31 4.800 4.800 4.558 0.242 18976 13996 1 17 . 1 1 31 31 THR C C 31 176.542 176.542 176.284 0.258 18976 13997 1 17 . 1 1 31 31 THR CA C 31 59.396 59.396 60.362 -0.966 18976 13998 1 17 . 1 1 31 31 THR CB C 31 72.162 72.162 70.435 1.727 18976 13999 1 17 . 1 1 31 31 THR H H 31 8.469 8.469 8.541 -0.072 18976 14000 1 17 . 1 1 32 32 THR N N 32 112.790 112.790 116.375 -3.585 18976 14001 1 17 . 1 1 32 32 THR HA H 32 3.803 3.803 3.995 -0.192 18976 14002 1 17 . 1 1 32 32 THR C C 32 177.188 177.188 176.156 1.032 18976 14003 1 17 . 1 1 32 32 THR CA C 32 66.253 66.253 66.508 -0.255 18976 14004 1 17 . 1 1 32 32 THR CB C 32 67.459 67.459 68.448 -0.989 18976 14005 1 17 . 1 1 32 32 THR H H 32 9.128 9.128 8.913 0.215 18976 14006 1 17 . 1 1 33 33 LYS N N 33 120.844 120.844 122.046 -1.202 18976 14007 1 17 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.928 0.220 18976 14008 1 17 . 1 1 33 33 LYS C C 33 179.880 179.880 178.831 1.049 18976 14009 1 17 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.985 -1.046 18976 14010 1 17 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.329 -0.094 18976 14011 1 17 . 1 1 33 33 LYS H H 33 7.695 7.695 7.558 0.137 18976 14012 1 17 . 1 1 34 34 GLU N N 34 121.463 121.463 119.157 2.306 18976 14013 1 17 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.049 0.019 18976 14014 1 17 . 1 1 34 34 GLU C C 34 179.140 179.140 179.144 -0.004 18976 14015 1 17 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.053 0.086 18976 14016 1 17 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.497 0.049 18976 14017 1 17 . 1 1 34 34 GLU H H 34 7.687 7.687 7.625 0.062 18976 14018 1 17 . 1 1 35 35 LEU N N 35 120.583 120.583 120.634 -0.051 18976 14019 1 17 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.119 0.004 18976 14020 1 17 . 1 1 35 35 LEU C C 35 178.934 178.934 178.515 0.419 18976 14021 1 17 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.914 -0.087 18976 14022 1 17 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.756 0.624 18976 14023 1 17 . 1 1 35 35 LEU H H 35 8.745 8.745 8.287 0.458 18976 14024 1 17 . 1 1 36 36 GLY N N 36 128.127 128.127 105.232 22.895 18976 14025 1 17 . 1 1 36 36 GLY C C 36 175.177 175.177 175.969 -0.792 18976 14026 1 17 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.566 0.437 18976 14027 1 17 . 1 1 36 36 GLY H H 36 8.670 8.670 8.218 0.452 18976 14028 1 17 . 1 1 37 37 THR N N 37 117.925 117.925 119.477 -1.552 18976 14029 1 17 . 1 1 37 37 THR HA H 37 3.938 3.938 4.010 -0.072 18976 14030 1 17 . 1 1 37 37 THR C C 37 177.137 177.137 176.756 0.381 18976 14031 1 17 . 1 1 37 37 THR CA C 37 66.648 66.648 67.326 -0.678 18976 14032 1 17 . 1 1 37 37 THR CB C 37 68.383 68.383 68.652 -0.269 18976 14033 1 17 . 1 1 37 37 THR H H 37 7.930 7.930 7.734 0.196 18976 14034 1 17 . 1 1 38 38 VAL N N 38 122.046 122.046 121.944 0.102 18976 14035 1 17 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.469 0.054 18976 14036 1 17 . 1 1 38 38 VAL C C 38 179.243 179.243 177.646 1.597 18976 14037 1 17 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.747 -0.785 18976 14038 1 17 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.581 -0.511 18976 14039 1 17 . 1 1 38 38 VAL H H 38 7.643 7.643 7.957 -0.314 18976 14040 1 17 . 1 1 39 39 MET N N 39 118.442 118.442 117.165 1.277 18976 14041 1 17 . 1 1 39 39 MET HA H 39 4.133 4.133 4.106 0.027 18976 14042 1 17 . 1 1 39 39 MET C C 39 179.125 179.125 178.272 0.853 18976 14043 1 17 . 1 1 39 39 MET CA C 39 58.886 58.886 59.189 -0.303 18976 14044 1 17 . 1 1 39 39 MET CB C 39 31.211 31.211 32.265 -1.054 18976 14045 1 17 . 1 1 39 39 MET H H 39 8.497 8.497 7.758 0.739 18976 14046 1 17 . 1 1 40 40 ARG N N 40 118.929 118.929 119.940 -1.011 18976 14047 1 17 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.288 0.545 18976 14048 1 17 . 1 1 40 40 ARG C C 40 181.224 181.224 179.266 1.958 18976 14049 1 17 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.311 -0.425 18976 14050 1 17 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.193 -1.358 18976 14051 1 17 . 1 1 40 40 ARG H H 40 8.536 8.536 8.139 0.397 18976 14052 1 17 . 1 1 41 41 SER N N 41 118.832 118.832 114.927 3.905 18976 14053 1 17 . 1 1 41 41 SER HA H 41 4.425 4.425 4.369 0.056 18976 14054 1 17 . 1 1 41 41 SER C C 41 174.839 174.839 175.351 -0.512 18976 14055 1 17 . 1 1 41 41 SER CA C 41 61.249 61.249 60.251 0.998 18976 14056 1 17 . 1 1 41 41 SER CB C 41 62.464 62.464 63.004 -0.540 18976 14057 1 17 . 1 1 41 41 SER H H 41 7.925 7.925 7.731 0.194 18976 14058 1 17 . 1 1 42 42 LEU N N 42 120.676 120.676 121.006 -0.330 18976 14059 1 17 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.454 0.063 18976 14060 1 17 . 1 1 42 42 LEU C C 42 177.540 177.540 176.725 0.815 18976 14061 1 17 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.477 -0.245 18976 14062 1 17 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.377 0.293 18976 14063 1 17 . 1 1 42 42 LEU H H 42 7.395 7.395 7.383 0.012 18976 14064 1 17 . 1 1 43 43 GLY N N 43 106.840 106.840 106.206 0.634 18976 14065 1 17 . 1 1 43 43 GLY C C 43 174.384 174.384 174.663 -0.279 18976 14066 1 17 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.003 0.305 18976 14067 1 17 . 1 1 43 43 GLY H H 43 7.885 7.885 7.665 0.220 18976 14068 1 17 . 1 1 44 44 GLN N N 44 118.414 118.414 120.143 -1.729 18976 14069 1 17 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.426 0.076 18976 14070 1 17 . 1 1 44 44 GLN C C 44 174.134 174.134 174.826 -0.692 18976 14071 1 17 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.819 -0.635 18976 14072 1 17 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.166 0.108 18976 14073 1 17 . 1 1 44 44 GLN H H 44 7.805 7.805 7.750 0.055 18976 14074 1 17 . 1 1 45 45 ASN N N 45 116.265 116.265 118.658 -2.393 18976 14075 1 17 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.039 0.162 18976 14076 1 17 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.130 0.827 18976 14077 1 17 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.882 0.027 18976 14078 1 17 . 1 1 45 45 ASN H H 45 8.733 8.733 8.606 0.127 18976 14079 1 17 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.842 -0.055 18976 14080 1 17 . 1 1 46 46 PRO C C 46 177.745 177.745 175.950 1.795 18976 14081 1 17 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.371 -0.266 18976 14082 1 17 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.490 -1.787 18976 14083 1 17 . 1 1 47 47 THR N N 47 112.958 112.958 113.658 -0.700 18976 14084 1 17 . 1 1 47 47 THR HA H 47 4.451 4.451 4.475 -0.024 18976 14085 1 17 . 1 1 47 47 THR C C 47 175.159 175.159 175.917 -0.758 18976 14086 1 17 . 1 1 47 47 THR CA C 47 60.078 60.078 60.457 -0.379 18976 14087 1 17 . 1 1 47 47 THR CB C 47 71.001 71.001 70.840 0.161 18976 14088 1 17 . 1 1 47 47 THR H H 47 8.767 8.767 8.208 0.559 18976 14089 1 17 . 1 1 48 48 GLU N N 48 120.607 120.607 125.527 -4.920 18976 14090 1 17 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.887 0.119 18976 14091 1 17 . 1 1 48 48 GLU C C 48 178.949 178.949 178.459 0.490 18976 14092 1 17 . 1 1 48 48 GLU CA C 48 59.741 59.741 60.049 -0.308 18976 14093 1 17 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.434 -0.742 18976 14094 1 17 . 1 1 48 48 GLU H H 48 8.824 8.824 9.062 -0.238 18976 14095 1 17 . 1 1 49 49 ALA N N 49 120.678 120.678 121.516 -0.838 18976 14096 1 17 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.183 -0.064 18976 14097 1 17 . 1 1 49 49 ALA C C 49 180.226 180.226 179.374 0.852 18976 14098 1 17 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.672 0.044 18976 14099 1 17 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.084 -0.211 18976 14100 1 17 . 1 1 49 49 ALA H H 49 8.279 8.279 8.267 0.012 18976 14101 1 17 . 1 1 50 50 GLU N N 50 118.703 118.703 120.087 -1.384 18976 14102 1 17 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.091 -0.039 18976 14103 1 17 . 1 1 50 50 GLU C C 50 180.182 180.182 178.910 1.272 18976 14104 1 17 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.313 -0.456 18976 14105 1 17 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.619 -0.251 18976 14106 1 17 . 1 1 50 50 GLU H H 50 7.712 7.712 7.702 0.010 18976 14107 1 17 . 1 1 51 51 LEU N N 51 120.420 120.420 118.436 1.984 18976 14108 1 17 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.082 0.012 18976 14109 1 17 . 1 1 51 51 LEU C C 51 178.494 178.494 179.369 -0.875 18976 14110 1 17 . 1 1 51 51 LEU CA C 51 57.679 57.679 57.197 0.482 18976 14111 1 17 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.478 1.578 18976 14112 1 17 . 1 1 51 51 LEU H H 51 8.192 8.192 7.827 0.365 18976 14113 1 17 . 1 1 52 52 GLN N N 52 118.200 118.200 119.509 -1.309 18976 14114 1 17 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.012 -0.174 18976 14115 1 17 . 1 1 52 52 GLN C C 52 178.518 178.518 178.132 0.386 18976 14116 1 17 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.753 -0.556 18976 14117 1 17 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.026 -0.123 18976 14118 1 17 . 1 1 52 52 GLN H H 52 8.212 8.212 7.891 0.321 18976 14119 1 17 . 1 1 53 53 ASP N N 53 119.922 119.922 119.726 0.196 18976 14120 1 17 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.445 -0.015 18976 14121 1 17 . 1 1 53 53 ASP C C 53 178.635 178.635 178.288 0.347 18976 14122 1 17 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.104 0.158 18976 14123 1 17 . 1 1 53 53 ASP CB C 53 39.962 39.962 41.142 -1.179 18976 14124 1 17 . 1 1 53 53 ASP H H 53 8.108 8.108 7.829 0.279 18976 14125 1 17 . 1 1 54 54 MET N N 54 119.290 119.290 118.500 0.790 18976 14126 1 17 . 1 1 54 54 MET HA H 54 4.044 4.044 4.182 -0.138 18976 14127 1 17 . 1 1 54 54 MET C C 54 178.876 178.876 179.035 -0.159 18976 14128 1 17 . 1 1 54 54 MET CA C 54 59.108 59.108 58.761 0.347 18976 14129 1 17 . 1 1 54 54 MET CB C 54 32.930 32.930 32.695 0.235 18976 14130 1 17 . 1 1 54 54 MET H H 54 7.865 7.865 7.922 -0.057 18976 14131 1 17 . 1 1 55 55 ILE N N 55 118.056 118.056 121.361 -3.305 18976 14132 1 17 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.567 -0.052 18976 14133 1 17 . 1 1 55 55 ILE C C 55 177.760 177.760 177.438 0.322 18976 14134 1 17 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.222 -0.743 18976 14135 1 17 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.937 -0.957 18976 14136 1 17 . 1 1 55 55 ILE H H 55 7.710 7.710 7.948 -0.238 18976 14137 1 17 . 1 1 56 56 ASN N N 56 117.688 117.688 116.457 1.231 18976 14138 1 17 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.430 -0.038 18976 14139 1 17 . 1 1 56 56 ASN C C 56 177.393 177.393 176.838 0.555 18976 14140 1 17 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.352 0.234 18976 14141 1 17 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.764 -0.109 18976 14142 1 17 . 1 1 56 56 ASN H H 56 8.606 8.606 8.101 0.505 18976 14143 1 17 . 1 1 57 57 GLU N N 57 116.316 116.316 117.654 -1.338 18976 14144 1 17 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.204 -0.161 18976 14145 1 17 . 1 1 57 57 GLU C C 57 177.569 177.569 177.959 -0.390 18976 14146 1 17 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.223 0.409 18976 14147 1 17 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.011 0.088 18976 14148 1 17 . 1 1 57 57 GLU H H 57 7.580 7.580 7.938 -0.358 18976 14149 1 17 . 1 1 58 58 VAL N N 58 108.390 108.390 111.167 -2.777 18976 14150 1 17 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.176 0.306 18976 14151 1 17 . 1 1 58 58 VAL C C 58 175.749 175.749 175.834 -0.085 18976 14152 1 17 . 1 1 58 58 VAL CA C 58 60.417 60.417 61.955 -1.538 18976 14153 1 17 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.483 -0.117 18976 14154 1 17 . 1 1 58 58 VAL H H 58 7.219 7.219 7.465 -0.246 18976 14155 1 17 . 1 1 59 59 ASP N N 59 121.728 121.728 121.688 0.040 18976 14156 1 17 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.727 -0.085 18976 14157 1 17 . 1 1 59 59 ASP C C 59 176.219 176.219 175.798 0.421 18976 14158 1 17 . 1 1 59 59 ASP CA C 59 53.468 53.468 53.968 -0.500 18976 14159 1 17 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.225 -1.360 18976 14160 1 17 . 1 1 59 59 ASP H H 59 7.674 7.674 7.864 -0.190 18976 14161 1 17 . 1 1 60 60 ALA N N 60 109.214 109.214 129.502 -20.288 18976 14162 1 17 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.128 0.088 18976 14163 1 17 . 1 1 60 60 ALA C C 60 178.626 178.626 178.580 0.046 18976 14164 1 17 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.083 -0.098 18976 14165 1 17 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.561 -0.415 18976 14166 1 17 . 1 1 60 60 ALA H H 60 8.481 8.481 8.283 0.198 18976 14167 1 17 . 1 1 61 61 ASP N N 61 113.667 113.667 118.016 -4.349 18976 14168 1 17 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.464 0.159 18976 14169 1 17 . 1 1 61 61 ASP C C 61 177.848 177.848 177.927 -0.079 18976 14170 1 17 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.286 -1.875 18976 14171 1 17 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.106 -1.555 18976 14172 1 17 . 1 1 61 61 ASP H H 61 8.158 8.158 8.088 0.070 18976 14173 1 17 . 1 1 62 62 GLY N N 62 108.314 108.314 109.360 -1.046 18976 14174 1 17 . 1 1 62 62 GLY C C 62 174.933 174.933 174.777 0.156 18976 14175 1 17 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.467 1.475 18976 14176 1 17 . 1 1 62 62 GLY H H 62 7.585 7.585 8.349 -0.764 18976 14177 1 17 . 1 1 63 63 ASN N N 63 118.384 118.384 118.525 -0.141 18976 14178 1 17 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.804 -0.147 18976 14179 1 17 . 1 1 63 63 ASN C C 63 176.835 176.835 176.223 0.612 18976 14180 1 17 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.105 0.117 18976 14181 1 17 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.352 -1.986 18976 14182 1 17 . 1 1 63 63 ASN H H 63 8.086 8.086 8.530 -0.444 18976 14183 1 17 . 1 1 64 64 GLY N N 64 113.412 113.412 110.102 3.310 18976 14184 1 17 . 1 1 64 64 GLY C C 64 173.254 173.254 173.632 -0.378 18976 14185 1 17 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.451 -0.054 18976 14186 1 17 . 1 1 64 64 GLY H H 64 10.618 10.618 8.123 2.495 18976 14187 1 17 . 1 1 65 65 THR N N 65 108.877 108.877 114.002 -5.125 18976 14188 1 17 . 1 1 65 65 THR HA H 65 4.766 4.766 4.658 0.108 18976 14189 1 17 . 1 1 65 65 THR C C 65 173.195 173.195 173.358 -0.163 18976 14190 1 17 . 1 1 65 65 THR CA C 65 59.301 59.301 61.399 -2.098 18976 14191 1 17 . 1 1 65 65 THR CB C 65 71.695 71.695 72.625 -0.930 18976 14192 1 17 . 1 1 65 65 THR H H 65 7.684 7.684 8.089 -0.405 18976 14193 1 17 . 1 1 66 66 ILE N N 66 123.673 123.673 124.016 -0.343 18976 14194 1 17 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.350 0.840 18976 14195 1 17 . 1 1 66 66 ILE C C 66 175.529 175.529 175.004 0.525 18976 14196 1 17 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.158 -1.474 18976 14197 1 17 . 1 1 66 66 ILE CB C 66 39.417 39.417 39.218 0.199 18976 14198 1 17 . 1 1 66 66 ILE H H 66 8.912 8.912 8.436 0.476 18976 14199 1 17 . 1 1 67 67 ASP N N 67 128.135 128.135 126.719 1.416 18976 14200 1 17 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.165 0.219 18976 14201 1 17 . 1 1 67 67 ASP C C 67 176.322 176.322 176.791 -0.469 18976 14202 1 17 . 1 1 67 67 ASP CA C 67 51.843 51.843 51.837 0.006 18976 14203 1 17 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.858 -2.071 18976 14204 1 17 . 1 1 67 67 ASP H H 67 8.824 8.824 8.578 0.246 18976 14205 1 17 . 1 1 68 68 PHE N N 68 118.627 118.627 123.372 -4.745 18976 14206 1 17 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.091 -0.067 18976 14207 1 17 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.608 0.562 18976 14208 1 17 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.874 -1.273 18976 14209 1 17 . 1 1 68 68 PHE H H 68 8.943 8.943 9.026 -0.083 18976 14210 1 17 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.915 -0.039 18976 14211 1 17 . 1 1 69 69 PRO C C 69 180.037 180.037 178.434 1.603 18976 14212 1 17 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.625 0.767 18976 14213 1 17 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.970 -0.596 18976 14214 1 17 . 1 1 70 70 GLU N N 70 117.615 117.615 117.545 0.070 18976 14215 1 17 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.137 -0.029 18976 14216 1 17 . 1 1 70 70 GLU C C 70 178.773 178.773 178.878 -0.105 18976 14217 1 17 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.419 0.147 18976 14218 1 17 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.089 -0.063 18976 14219 1 17 . 1 1 70 70 GLU H H 70 7.969 7.969 7.563 0.406 18976 14220 1 17 . 1 1 71 71 PHE N N 71 123.460 123.460 122.087 1.373 18976 14221 1 17 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.194 -0.220 18976 14222 1 17 . 1 1 71 71 PHE C C 71 177.041 177.041 176.242 0.799 18976 14223 1 17 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.139 -0.112 18976 14224 1 17 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.451 0.256 18976 14225 1 17 . 1 1 71 71 PHE H H 71 8.861 8.861 8.022 0.839 18976 14226 1 17 . 1 1 72 72 LEU N N 72 118.749 118.749 119.609 -0.860 18976 14227 1 17 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.312 0.056 18976 14228 1 17 . 1 1 72 72 LEU C C 72 178.949 178.949 178.969 -0.020 18976 14229 1 17 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.828 -0.232 18976 14230 1 17 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.006 0.736 18976 14231 1 17 . 1 1 72 72 LEU H H 72 8.411 8.411 7.538 0.873 18976 14232 1 17 . 1 1 73 73 THR N N 73 115.213 115.213 112.862 2.351 18976 14233 1 17 . 1 1 73 73 THR HA H 73 3.753 3.753 3.842 -0.089 18976 14234 1 17 . 1 1 73 73 THR C C 73 175.955 175.955 176.476 -0.521 18976 14235 1 17 . 1 1 73 73 THR CA C 73 66.313 66.313 65.722 0.591 18976 14236 1 17 . 1 1 73 73 THR CB C 73 68.075 68.075 68.707 -0.632 18976 14237 1 17 . 1 1 73 73 THR H H 73 7.522 7.522 7.355 0.167 18976 14238 1 17 . 1 1 74 74 MET N N 74 121.455 121.455 121.987 -0.532 18976 14239 1 17 . 1 1 74 74 MET HA H 74 3.773 3.773 4.105 -0.332 18976 14240 1 17 . 1 1 74 74 MET C C 74 178.098 178.098 177.839 0.259 18976 14241 1 17 . 1 1 74 74 MET CA C 74 58.603 58.603 58.314 0.289 18976 14242 1 17 . 1 1 74 74 MET CB C 74 32.905 32.905 32.050 0.855 18976 14243 1 17 . 1 1 74 74 MET H H 74 7.783 7.783 7.252 0.531 18976 14244 1 17 . 1 1 75 75 MET N N 75 116.557 116.557 116.723 -0.166 18976 14245 1 17 . 1 1 75 75 MET HA H 75 3.998 3.998 4.051 -0.053 18976 14246 1 17 . 1 1 75 75 MET C C 75 178.700 178.700 178.095 0.605 18976 14247 1 17 . 1 1 75 75 MET CA C 75 55.472 55.472 57.543 -2.071 18976 14248 1 17 . 1 1 75 75 MET CB C 75 30.693 30.693 30.907 -0.213 18976 14249 1 17 . 1 1 75 75 MET H H 75 8.077 8.077 7.918 0.159 18976 14250 1 17 . 1 1 76 76 ALA N N 76 122.410 122.410 121.060 1.350 18976 14251 1 17 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.903 0.186 18976 14252 1 17 . 1 1 76 76 ALA C C 76 179.683 179.683 178.800 0.883 18976 14253 1 17 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.264 0.112 18976 14254 1 17 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.314 -0.535 18976 14255 1 17 . 1 1 76 76 ALA H H 76 8.303 8.303 7.777 0.526 18976 14256 1 17 . 1 1 77 77 ARG N N 77 116.451 116.451 117.776 -1.325 18976 14257 1 17 . 1 1 77 77 ARG HA H 77 4.102 4.102 3.991 0.111 18976 14258 1 17 . 1 1 77 77 ARG C C 77 177.701 177.701 177.593 0.108 18976 14259 1 17 . 1 1 77 77 ARG CA C 77 58.042 58.042 59.184 -1.142 18976 14260 1 17 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.232 -0.224 18976 14261 1 17 . 1 1 77 77 ARG H H 77 7.622 7.622 7.635 -0.013 18976 14262 1 17 . 1 1 78 78 LYS N N 78 118.021 118.021 117.996 0.025 18976 14263 1 17 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.221 0.018 18976 14264 1 17 . 1 1 78 78 LYS C C 78 177.525 177.525 178.736 -1.211 18976 14265 1 17 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.548 -1.827 18976 14266 1 17 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.450 -0.237 18976 14267 1 17 . 1 1 78 78 LYS H H 78 7.577 7.577 7.306 0.271 18976 14268 1 17 . 1 1 79 79 MET N N 79 118.929 118.929 116.754 2.175 18976 14269 1 17 . 1 1 79 79 MET HA H 79 4.351 4.351 4.537 -0.186 18976 14270 1 17 . 1 1 79 79 MET C C 79 176.322 176.322 176.889 -0.567 18976 14271 1 17 . 1 1 79 79 MET CA C 79 56.345 56.345 54.389 1.956 18976 14272 1 17 . 1 1 79 79 MET CB C 79 32.946 32.946 31.589 1.357 18976 14273 1 17 . 1 1 79 79 MET H H 79 7.772 7.772 7.499 0.273 18976 14274 1 17 . 1 1 80 80 LYS N N 80 120.686 120.686 121.660 -0.974 18976 14275 1 17 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.224 0.103 18976 14276 1 17 . 1 1 80 80 LYS C C 80 176.395 176.395 175.870 0.525 18976 14277 1 17 . 1 1 80 80 LYS CA C 80 56.144 56.144 55.818 0.326 18976 14278 1 17 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.202 1.606 18976 14279 1 17 . 1 1 80 80 LYS H H 80 7.955 7.955 7.705 0.250 18976 14280 1 17 . 1 1 81 81 ASP N N 81 121.721 121.721 119.056 2.665 18976 14281 1 17 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.394 0.295 18976 14282 1 17 . 1 1 81 81 ASP C C 81 176.644 176.644 175.394 1.250 18976 14283 1 17 . 1 1 81 81 ASP CA C 81 54.286 54.286 55.106 -0.820 18976 14284 1 17 . 1 1 81 81 ASP CB C 81 40.793 40.793 39.646 1.147 18976 14285 1 17 . 1 1 81 81 ASP H H 81 8.341 8.341 7.758 0.583 18976 14286 1 17 . 1 1 82 82 THR N N 82 114.594 114.594 110.236 4.358 18976 14287 1 17 . 1 1 82 82 THR HA H 82 4.323 4.323 3.824 0.499 18976 14288 1 17 . 1 1 82 82 THR C C 82 174.584 174.584 174.911 -0.327 18976 14289 1 17 . 1 1 82 82 THR CA C 82 61.955 61.955 63.908 -1.953 18976 14290 1 17 . 1 1 82 82 THR CB C 82 69.586 69.586 68.014 1.572 18976 14291 1 17 . 1 1 82 82 THR H H 82 8.123 8.123 7.641 0.482 18976 14292 1 17 . 1 1 83 83 ASP N N 83 123.126 123.126 126.800 -3.674 18976 14293 1 17 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.238 0.461 18976 14294 1 17 . 1 1 83 83 ASP C C 83 176.674 176.674 177.934 -1.260 18976 14295 1 17 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.844 -2.353 18976 14296 1 17 . 1 1 83 83 ASP CB C 83 41.040 41.040 41.026 0.014 18976 14297 1 17 . 1 1 83 83 ASP H H 83 8.439 8.439 8.298 0.141 18976 14298 1 17 . 1 1 84 84 SER N N 84 116.982 116.982 115.300 1.682 18976 14299 1 17 . 1 1 84 84 SER HA H 84 4.458 4.458 4.142 0.316 18976 14300 1 17 . 1 1 84 84 SER C C 84 175.393 175.393 176.547 -1.154 18976 14301 1 17 . 1 1 84 84 SER CA C 84 58.943 58.943 60.906 -1.963 18976 14302 1 17 . 1 1 84 84 SER CB C 84 63.550 63.550 62.773 0.777 18976 14303 1 17 . 1 1 84 84 SER H H 84 8.418 8.418 8.547 -0.129 18976 14304 1 17 . 1 1 85 85 GLU N N 85 122.632 122.632 121.338 1.294 18976 14305 1 17 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.016 0.195 18976 14306 1 17 . 1 1 85 85 GLU C C 85 177.716 177.716 178.043 -0.327 18976 14307 1 17 . 1 1 85 85 GLU CA C 85 58.539 58.539 58.877 -0.338 18976 14308 1 17 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.853 0.374 18976 14309 1 17 . 1 1 85 85 GLU H H 85 8.504 8.504 7.982 0.522 18976 14310 1 17 . 1 1 86 86 GLU N N 86 119.077 119.077 118.573 0.504 18976 14311 1 17 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.977 0.084 18976 14312 1 17 . 1 1 86 86 GLU C C 86 178.885 178.885 179.028 -0.143 18976 14313 1 17 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.537 0.828 18976 14314 1 17 . 1 1 86 86 GLU CB C 86 29.065 29.065 28.878 0.187 18976 14315 1 17 . 1 1 86 86 GLU H H 86 8.333 8.333 7.808 0.525 18976 14316 1 17 . 1 1 87 87 GLU N N 87 119.138 119.138 121.318 -2.180 18976 14317 1 17 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.075 0.071 18976 14318 1 17 . 1 1 87 87 GLU C C 87 179.823 179.823 178.889 0.934 18976 14319 1 17 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.096 -0.187 18976 14320 1 17 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.398 -0.133 18976 14321 1 17 . 1 1 87 87 GLU H H 87 8.130 8.130 7.855 0.275 18976 14322 1 17 . 1 1 88 88 LEU N N 88 122.103 122.103 119.478 2.625 18976 14323 1 17 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.347 0.044 18976 14324 1 17 . 1 1 88 88 LEU C C 88 178.905 178.905 179.337 -0.432 18976 14325 1 17 . 1 1 88 88 LEU CA C 88 57.716 57.716 56.984 0.732 18976 14326 1 17 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.833 0.028 18976 14327 1 17 . 1 1 88 88 LEU H H 88 8.152 8.152 7.690 0.462 18976 14328 1 17 . 1 1 89 89 ARG N N 89 120.092 120.092 120.390 -0.298 18976 14329 1 17 . 1 1 89 89 ARG HA H 89 4.050 4.050 3.829 0.221 18976 14330 1 17 . 1 1 89 89 ARG C C 89 179.507 179.507 177.890 1.617 18976 14331 1 17 . 1 1 89 89 ARG CA C 89 59.411 59.411 60.100 -0.689 18976 14332 1 17 . 1 1 89 89 ARG CB C 89 29.460 29.460 30.180 -0.720 18976 14333 1 17 . 1 1 89 89 ARG H H 89 8.499 8.499 8.679 -0.180 18976 14334 1 17 . 1 1 90 90 GLU N N 90 119.315 119.315 118.990 0.325 18976 14335 1 17 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.141 0.026 18976 14336 1 17 . 1 1 90 90 GLU C C 90 178.068 178.068 178.461 -0.393 18976 14337 1 17 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.115 -0.525 18976 14338 1 17 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.613 -0.684 18976 14339 1 17 . 1 1 90 90 GLU H H 90 8.040 8.040 7.879 0.161 18976 14340 1 17 . 1 1 91 91 ALA N N 91 121.794 121.794 121.955 -0.161 18976 14341 1 17 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.200 0.011 18976 14342 1 17 . 1 1 91 91 ALA C C 91 179.855 179.855 179.652 0.203 18976 14343 1 17 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.912 -0.186 18976 14344 1 17 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.420 -0.850 18976 14345 1 17 . 1 1 91 91 ALA H H 91 7.996 7.996 7.606 0.390 18976 14346 1 17 . 1 1 92 92 PHE N N 92 119.368 119.368 119.913 -0.545 18976 14347 1 17 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.425 -0.295 18976 14348 1 17 . 1 1 92 92 PHE C C 92 176.454 176.454 177.085 -0.631 18976 14349 1 17 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.051 0.181 18976 14350 1 17 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.982 -0.055 18976 14351 1 17 . 1 1 92 92 PHE H H 92 8.360 8.360 8.129 0.231 18976 14352 1 17 . 1 1 93 93 ARG N N 93 117.178 117.178 119.058 -1.880 18976 14353 1 17 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.971 -0.106 18976 14354 1 17 . 1 1 93 93 ARG C C 93 178.421 178.421 178.483 -0.062 18976 14355 1 17 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.173 -0.332 18976 14356 1 17 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.142 -0.235 18976 14357 1 17 . 1 1 93 93 ARG H H 93 7.895 7.895 7.656 0.239 18976 14358 1 17 . 1 1 94 94 VAL N N 94 115.719 115.719 117.877 -2.158 18976 14359 1 17 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.748 -0.148 18976 14360 1 17 . 1 1 94 94 VAL C C 94 177.334 177.334 177.653 -0.319 18976 14361 1 17 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.620 -0.588 18976 14362 1 17 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.306 0.238 18976 14363 1 17 . 1 1 94 94 VAL H H 94 7.541 7.541 7.750 -0.209 18976 14364 1 17 . 1 1 95 95 GLU N N 95 117.921 117.921 115.735 2.186 18976 14365 1 17 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.212 -0.204 18976 14366 1 17 . 1 1 95 95 GLU C C 95 176.953 176.953 176.753 0.200 18976 14367 1 17 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.460 0.796 18976 14368 1 17 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.407 -1.720 18976 14369 1 17 . 1 1 95 95 GLU H H 95 7.011 7.011 7.552 -0.541 18976 14370 1 17 . 1 1 96 96 ASP N N 96 117.365 117.365 120.705 -3.340 18976 14371 1 17 . 1 1 96 96 ASP HA H 96 4.450 4.450 5.083 -0.633 18976 14372 1 17 . 1 1 96 96 ASP C C 96 177.202 177.202 176.060 1.142 18976 14373 1 17 . 1 1 96 96 ASP CA C 96 51.473 51.473 51.914 -0.441 18976 14374 1 17 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.754 -1.680 18976 14375 1 17 . 1 1 96 96 ASP H H 96 7.626 7.626 7.929 -0.303 18976 14376 1 17 . 1 1 97 97 LYS N N 97 124.733 124.733 121.938 2.795 18976 14377 1 17 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.063 -0.162 18976 14378 1 17 . 1 1 97 97 LYS C C 97 178.333 178.333 177.254 1.079 18976 14379 1 17 . 1 1 97 97 LYS CA C 97 58.605 58.605 57.900 0.705 18976 14380 1 17 . 1 1 97 97 LYS CB C 97 32.430 32.430 31.851 0.579 18976 14381 1 17 . 1 1 97 97 LYS H H 97 7.357 7.357 7.582 -0.225 18976 14382 1 17 . 1 1 98 98 ASP N N 98 114.048 114.048 116.038 -1.990 18976 14383 1 17 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.528 0.040 18976 14384 1 17 . 1 1 98 98 ASP C C 98 177.775 177.775 177.206 0.569 18976 14385 1 17 . 1 1 98 98 ASP CA C 98 52.657 52.657 53.975 -1.318 18976 14386 1 17 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.330 -0.737 18976 14387 1 17 . 1 1 98 98 ASP H H 98 8.352 8.352 8.061 0.291 18976 14388 1 17 . 1 1 99 99 GLY N N 99 109.454 109.454 110.105 -0.651 18976 14389 1 17 . 1 1 99 99 GLY C C 99 175.082 175.082 175.029 0.053 18976 14390 1 17 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.904 0.923 18976 14391 1 17 . 1 1 99 99 GLY H H 99 7.828 7.828 7.996 -0.168 18976 14392 1 17 . 1 1 100 100 ASN N N 100 119.607 119.607 118.979 0.628 18976 14393 1 17 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.770 -0.135 18976 14394 1 17 . 1 1 100 100 ASN C C 100 175.969 175.969 176.516 -0.547 18976 14395 1 17 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.729 -0.246 18976 14396 1 17 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.611 -1.730 18976 14397 1 17 . 1 1 100 100 ASN H H 100 8.334 8.334 8.549 -0.215 18976 14398 1 17 . 1 1 101 101 GLY N N 101 113.007 113.007 108.174 4.833 18976 14399 1 17 . 1 1 101 101 GLY C C 101 172.314 172.314 172.632 -0.318 18976 14400 1 17 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.065 -0.383 18976 14401 1 17 . 1 1 101 101 GLY H H 101 10.640 10.640 8.170 2.470 18976 14402 1 17 . 1 1 102 102 TYR N N 102 115.913 115.913 117.695 -1.782 18976 14403 1 17 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.108 0.078 18976 14404 1 17 . 1 1 102 102 TYR C C 102 174.736 174.736 174.744 -0.008 18976 14405 1 17 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.781 -1.119 18976 14406 1 17 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.442 1.359 18976 14407 1 17 . 1 1 102 102 TYR H H 102 7.610 7.610 8.226 -0.616 18976 14408 1 17 . 1 1 103 103 ILE N N 103 127.698 127.698 123.640 4.058 18976 14409 1 17 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.692 0.124 18976 14410 1 17 . 1 1 103 103 ILE C C 103 175.634 175.634 175.783 -0.149 18976 14411 1 17 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.120 0.318 18976 14412 1 17 . 1 1 103 103 ILE CB C 103 38.919 38.919 40.282 -1.363 18976 14413 1 17 . 1 1 103 103 ILE H H 103 10.228 10.228 8.310 1.918 18976 14414 1 17 . 1 1 104 104 SER N N 104 123.581 123.581 119.685 3.896 18976 14415 1 17 . 1 1 104 104 SER HA H 104 4.849 4.849 4.966 -0.117 18976 14416 1 17 . 1 1 104 104 SER C C 104 175.191 175.191 174.857 0.334 18976 14417 1 17 . 1 1 104 104 SER CA C 104 55.499 55.499 55.303 0.196 18976 14418 1 17 . 1 1 104 104 SER CB C 104 66.371 66.371 65.680 0.692 18976 14419 1 17 . 1 1 104 104 SER H H 104 8.947 8.947 8.257 0.690 18976 14420 1 17 . 1 1 105 105 ALA N N 105 122.829 122.829 125.276 -2.447 18976 14421 1 17 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.025 -0.096 18976 14422 1 17 . 1 1 105 105 ALA C C 105 179.272 179.272 178.705 0.567 18976 14423 1 17 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.803 -0.143 18976 14424 1 17 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.637 -0.954 18976 14425 1 17 . 1 1 105 105 ALA H H 105 9.251 9.251 9.105 0.146 18976 14426 1 17 . 1 1 106 106 ALA N N 106 118.442 118.442 120.466 -2.024 18976 14427 1 17 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.958 0.079 18976 14428 1 17 . 1 1 106 106 ALA C C 106 181.180 181.180 179.227 1.953 18976 14429 1 17 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.604 0.237 18976 14430 1 17 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.324 -0.281 18976 14431 1 17 . 1 1 106 106 ALA H H 106 8.209 8.209 8.464 -0.255 18976 14432 1 17 . 1 1 107 107 GLU N N 107 118.406 118.406 118.917 -0.511 18976 14433 1 17 . 1 1 107 107 GLU HA H 107 3.992 3.992 3.940 0.052 18976 14434 1 17 . 1 1 107 107 GLU C C 107 179.272 179.272 178.758 0.514 18976 14435 1 17 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.336 -0.195 18976 14436 1 17 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.269 -0.513 18976 14437 1 17 . 1 1 107 107 GLU H H 107 7.752 7.752 7.834 -0.082 18976 14438 1 17 . 1 1 108 108 LEU N N 108 122.413 122.413 119.754 2.659 18976 14439 1 17 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.912 0.160 18976 14440 1 17 . 1 1 108 108 LEU C C 108 178.553 178.553 178.876 -0.323 18976 14441 1 17 . 1 1 108 108 LEU CA C 108 57.292 57.292 58.323 -1.031 18976 14442 1 17 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.617 -0.174 18976 14443 1 17 . 1 1 108 108 LEU H H 108 8.793 8.793 8.038 0.755 18976 14444 1 17 . 1 1 109 109 ARG N N 109 118.074 118.074 118.489 -0.415 18976 14445 1 17 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.887 -0.030 18976 14446 1 17 . 1 1 109 109 ARG C C 109 179.140 179.140 179.008 0.132 18976 14447 1 17 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.769 0.017 18976 14448 1 17 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.057 -0.233 18976 14449 1 17 . 1 1 109 109 ARG H H 109 8.421 8.421 8.060 0.361 18976 14450 1 17 . 1 1 110 110 ILE N N 110 120.191 120.191 119.568 0.623 18976 14451 1 17 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.859 -0.072 18976 14452 1 17 . 1 1 110 110 ILE C C 110 177.804 177.804 177.553 0.251 18976 14453 1 17 . 1 1 110 110 ILE CA C 110 64.553 64.553 64.009 0.544 18976 14454 1 17 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.318 -0.260 18976 14455 1 17 . 1 1 110 110 ILE H H 110 7.401 7.401 7.572 -0.171 18976 14456 1 17 . 1 1 111 111 VAL N N 111 120.330 120.330 120.377 -0.047 18976 14457 1 17 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.749 0.014 18976 14458 1 17 . 1 1 111 111 VAL C C 111 178.802 178.802 178.413 0.389 18976 14459 1 17 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.685 0.005 18976 14460 1 17 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.215 0.377 18976 14461 1 17 . 1 1 111 111 VAL H H 111 7.907 7.907 7.584 0.323 18976 14462 1 17 . 1 1 112 112 MET N N 112 116.794 116.794 117.026 -0.232 18976 14463 1 17 . 1 1 112 112 MET HA H 112 4.396 4.396 4.269 0.127 18976 14464 1 17 . 1 1 112 112 MET C C 112 178.890 178.890 178.650 0.240 18976 14465 1 17 . 1 1 112 112 MET CA C 112 56.719 56.719 56.356 0.363 18976 14466 1 17 . 1 1 112 112 MET CB C 112 30.384 30.384 30.718 -0.334 18976 14467 1 17 . 1 1 112 112 MET H H 112 8.355 8.355 8.622 -0.267 18976 14468 1 17 . 1 1 113 113 THR N N 113 117.282 117.282 116.371 0.911 18976 14469 1 17 . 1 1 113 113 THR HA H 113 4.187 4.187 3.926 0.261 18976 14470 1 17 . 1 1 113 113 THR C C 113 178.112 178.112 176.347 1.765 18976 14471 1 17 . 1 1 113 113 THR CA C 113 65.902 65.902 66.326 -0.424 18976 14472 1 17 . 1 1 113 113 THR CB C 113 68.642 68.642 68.400 0.242 18976 14473 1 17 . 1 1 113 113 THR H H 113 8.314 8.314 7.821 0.493 18976 14474 1 17 . 1 1 114 114 ASN N N 114 122.220 122.220 119.006 3.214 18976 14475 1 17 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.619 -0.027 18976 14476 1 17 . 1 1 114 114 ASN C C 114 176.644 176.644 176.928 -0.284 18976 14477 1 17 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.862 0.292 18976 14478 1 17 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.581 -0.985 18976 14479 1 17 . 1 1 114 114 ASN H H 114 8.483 8.483 7.732 0.751 18976 14480 1 17 . 1 1 115 115 ARG N N 115 117.970 117.970 118.252 -0.282 18976 14481 1 17 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.350 0.079 18976 14482 1 17 . 1 1 115 115 ARG C C 115 176.366 176.366 177.194 -0.828 18976 14483 1 17 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.990 -0.591 18976 14484 1 17 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.357 0.143 18976 14485 1 17 . 1 1 115 115 ARG H H 115 7.776 7.776 7.949 -0.173 18976 14486 1 17 . 1 1 116 116 GLY N N 116 107.547 107.547 107.047 0.500 18976 14487 1 17 . 1 1 116 116 GLY C C 116 174.384 174.384 174.906 -0.522 18976 14488 1 17 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.632 -0.425 18976 14489 1 17 . 1 1 116 116 GLY H H 116 7.968 7.968 7.827 0.141 18976 14490 1 17 . 1 1 117 117 GLU N N 117 119.975 119.975 119.659 0.316 18976 14491 1 17 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.350 0.056 18976 14492 1 17 . 1 1 117 117 GLU C C 117 175.558 175.558 175.601 -0.043 18976 14493 1 17 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.491 0.686 18976 14494 1 17 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.702 0.698 18976 14495 1 17 . 1 1 117 117 GLU H H 117 7.934 7.934 7.904 0.030 18976 14496 1 17 . 1 1 118 118 LYS N N 118 124.035 124.035 121.170 2.865 18976 14497 1 17 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.146 0.258 18976 14498 1 17 . 1 1 118 118 LYS C C 118 175.441 175.441 176.151 -0.710 18976 14499 1 17 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.672 -1.405 18976 14500 1 17 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.590 -0.740 18976 14501 1 17 . 1 1 118 118 LYS H H 118 8.626 8.626 7.862 0.764 18976 14502 1 17 . 1 1 119 119 LEU N N 119 124.745 124.745 128.092 -3.347 18976 14503 1 17 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.655 0.115 18976 14504 1 17 . 1 1 119 119 LEU C C 119 178.127 178.127 176.517 1.610 18976 14505 1 17 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.688 0.151 18976 14506 1 17 . 1 1 119 119 LEU CB C 119 44.323 44.323 42.943 1.380 18976 14507 1 17 . 1 1 119 119 LEU H H 119 8.140 8.140 7.930 0.210 18976 14508 1 17 . 1 1 120 120 THR N N 120 114.555 114.555 114.821 -0.266 18976 14509 1 17 . 1 1 120 120 THR HA H 120 4.477 4.477 4.404 0.073 18976 14510 1 17 . 1 1 120 120 THR C C 120 175.514 175.514 175.496 0.018 18976 14511 1 17 . 1 1 120 120 THR CA C 120 60.613 60.613 61.995 -1.382 18976 14512 1 17 . 1 1 120 120 THR CB C 120 70.902 70.902 69.769 1.133 18976 14513 1 17 . 1 1 120 120 THR H H 120 9.220 9.220 8.060 1.160 18976 14514 1 17 . 1 1 121 121 ASP N N 121 121.128 121.128 123.778 -2.650 18976 14515 1 17 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.208 0.020 18976 14516 1 17 . 1 1 121 121 ASP C C 121 178.655 178.655 178.323 0.332 18976 14517 1 17 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.683 0.069 18976 14518 1 17 . 1 1 121 121 ASP CB C 121 39.315 39.315 41.061 -1.746 18976 14519 1 17 . 1 1 121 121 ASP H H 121 8.921 8.921 8.868 0.053 18976 14520 1 17 . 1 1 122 122 GLU N N 122 119.266 119.266 118.684 0.582 18976 14521 1 17 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.036 0.083 18976 14522 1 17 . 1 1 122 122 GLU C C 122 179.184 179.184 178.670 0.514 18976 14523 1 17 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.122 0.650 18976 14524 1 17 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.426 -0.560 18976 14525 1 17 . 1 1 122 122 GLU H H 122 8.712 8.712 8.385 0.327 18976 14526 1 17 . 1 1 123 123 GLU N N 123 120.455 120.455 119.220 1.235 18976 14527 1 17 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.122 -0.099 18976 14528 1 17 . 1 1 123 123 GLU C C 123 180.123 180.123 178.940 1.183 18976 14529 1 17 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.578 0.512 18976 14530 1 17 . 1 1 123 123 GLU CB C 123 30.213 30.213 28.977 1.236 18976 14531 1 17 . 1 1 123 123 GLU H H 123 7.763 7.763 7.734 0.029 18976 14532 1 17 . 1 1 124 124 VAL N N 124 121.726 121.726 117.663 4.063 18976 14533 1 17 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.701 -0.094 18976 14534 1 17 . 1 1 124 124 VAL C C 124 177.337 177.337 177.419 -0.082 18976 14535 1 17 . 1 1 124 124 VAL CA C 124 66.732 66.732 66.009 0.723 18976 14536 1 17 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.573 -0.530 18976 14537 1 17 . 1 1 124 124 VAL H H 124 8.119 8.119 7.874 0.245 18976 14538 1 17 . 1 1 125 125 ASP N N 125 119.880 119.880 119.522 0.358 18976 14539 1 17 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.469 -0.118 18976 14540 1 17 . 1 1 125 125 ASP C C 125 179.323 179.323 178.009 1.314 18976 14541 1 17 . 1 1 125 125 ASP CA C 125 57.375 57.375 56.583 0.792 18976 14542 1 17 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.928 -0.816 18976 14543 1 17 . 1 1 125 125 ASP H H 125 8.051 8.051 7.758 0.293 18976 14544 1 17 . 1 1 126 126 GLU N N 126 119.798 119.798 120.585 -0.787 18976 14545 1 17 . 1 1 126 126 GLU HA H 126 4.021 4.021 3.996 0.025 18976 14546 1 17 . 1 1 126 126 GLU C C 126 177.966 177.966 178.427 -0.461 18976 14547 1 17 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.463 -0.490 18976 14548 1 17 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.414 -0.330 18976 14549 1 17 . 1 1 126 126 GLU H H 126 8.047 8.047 7.757 0.290 18976 14550 1 17 . 1 1 127 127 MET N N 127 119.443 119.443 118.168 1.275 18976 14551 1 17 . 1 1 127 127 MET HA H 127 4.137 4.137 4.399 -0.262 18976 14552 1 17 . 1 1 127 127 MET C C 127 179.859 179.859 178.231 1.628 18976 14553 1 17 . 1 1 127 127 MET CA C 127 59.137 59.137 58.520 0.617 18976 14554 1 17 . 1 1 127 127 MET CB C 127 32.239 32.239 32.749 -0.510 18976 14555 1 17 . 1 1 127 127 MET H H 127 7.795 7.795 7.523 0.272 18976 14556 1 17 . 1 1 128 128 ILE N N 128 120.667 120.667 118.648 2.019 18976 14557 1 17 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.752 -0.231 18976 14558 1 17 . 1 1 128 128 ILE C C 128 177.657 177.657 178.050 -0.393 18976 14559 1 17 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.295 -0.483 18976 14560 1 17 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.794 -0.807 18976 14561 1 17 . 1 1 128 128 ILE H H 128 8.158 8.158 7.638 0.520 18976 14562 1 17 . 1 1 129 129 ARG N N 129 119.725 119.725 118.464 1.261 18976 14563 1 17 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.227 -0.158 18976 14564 1 17 . 1 1 129 129 ARG C C 129 178.920 178.920 177.718 1.202 18976 14565 1 17 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.383 1.232 18976 14566 1 17 . 1 1 129 129 ARG CB C 129 29.882 29.882 29.946 -0.064 18976 14567 1 17 . 1 1 129 129 ARG H H 129 8.270 8.270 8.143 0.127 18976 14568 1 17 . 1 1 130 130 GLU N N 130 115.236 115.236 118.978 -3.742 18976 14569 1 17 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.075 0.019 18976 14570 1 17 . 1 1 130 130 GLU C C 130 177.349 177.349 178.130 -0.781 18976 14571 1 17 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.721 -0.821 18976 14572 1 17 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.795 0.028 18976 14573 1 17 . 1 1 130 130 GLU H H 130 7.953 7.953 7.907 0.046 18976 14574 1 17 . 1 1 131 131 THR N N 131 112.585 112.585 109.768 2.817 18976 14575 1 17 . 1 1 131 131 THR HA H 131 4.239 4.239 4.169 0.070 18976 14576 1 17 . 1 1 131 131 THR C C 131 174.149 174.149 174.758 -0.609 18976 14577 1 17 . 1 1 131 131 THR CA C 131 62.887 62.887 63.889 -1.002 18976 14578 1 17 . 1 1 131 131 THR CB C 131 69.337 69.337 69.811 -0.474 18976 14579 1 17 . 1 1 131 131 THR H H 131 7.465 7.465 7.428 0.037 18976 14580 1 17 . 1 1 132 132 ASP N N 132 121.237 121.237 120.541 0.696 18976 14581 1 17 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.882 -0.404 18976 14582 1 17 . 1 1 132 132 ASP C C 132 175.777 175.777 176.404 -0.627 18976 14583 1 17 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.903 1.051 18976 14584 1 17 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.309 -1.869 18976 14585 1 17 . 1 1 132 132 ASP H H 132 8.070 8.070 7.728 0.342 18976 14586 1 17 . 1 1 133 133 ILE N N 133 127.244 127.244 124.484 2.760 18976 14587 1 17 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.068 -0.092 18976 14588 1 17 . 1 1 133 133 ILE C C 133 177.628 177.628 176.408 1.220 18976 14589 1 17 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.060 0.806 18976 14590 1 17 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.524 -0.046 18976 14591 1 17 . 1 1 133 133 ILE H H 133 8.345 8.345 8.520 -0.175 18976 14592 1 17 . 1 1 134 134 ASP N N 134 116.893 116.893 118.509 -1.616 18976 14593 1 17 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.583 -0.050 18976 14594 1 17 . 1 1 134 134 ASP C C 134 178.259 178.259 177.490 0.769 18976 14595 1 17 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.651 -0.108 18976 14596 1 17 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.943 -1.105 18976 14597 1 17 . 1 1 134 134 ASP H H 134 8.297 8.297 8.219 0.078 18976 14598 1 17 . 1 1 135 135 GLY N N 135 108.287 108.287 108.791 -0.504 18976 14599 1 17 . 1 1 135 135 GLY C C 135 175.250 175.250 175.588 -0.338 18976 14600 1 17 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.249 0.848 18976 14601 1 17 . 1 1 135 135 GLY H H 135 7.623 7.623 7.878 -0.255 18976 14602 1 17 . 1 1 136 136 ASP N N 136 120.541 120.541 120.664 -0.123 18976 14603 1 17 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.510 -0.030 18976 14604 1 17 . 1 1 136 136 ASP C C 136 177.584 177.584 177.962 -0.378 18976 14605 1 17 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.609 -0.234 18976 14606 1 17 . 1 1 136 136 ASP CB C 136 39.893 39.893 41.007 -1.113 18976 14607 1 17 . 1 1 136 136 ASP H H 136 8.290 8.290 8.203 0.087 18976 14608 1 17 . 1 1 137 137 GLY N N 137 112.490 112.490 109.097 3.393 18976 14609 1 17 . 1 1 137 137 GLY C C 137 172.828 172.828 173.156 -0.328 18976 14610 1 17 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.381 0.089 18976 14611 1 17 . 1 1 137 137 GLY H H 137 10.224 10.224 7.998 2.226 18976 14612 1 17 . 1 1 138 138 GLN N N 138 115.266 115.266 117.567 -2.301 18976 14613 1 17 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.193 -0.324 18976 14614 1 17 . 1 1 138 138 GLN C C 138 174.677 174.677 174.747 -0.070 18976 14615 1 17 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.419 -1.633 18976 14616 1 17 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.056 -1.313 18976 14617 1 17 . 1 1 138 138 GLN H H 138 7.992 7.992 8.305 -0.313 18976 14618 1 17 . 1 1 139 139 VAL N N 139 125.667 125.667 125.126 0.541 18976 14619 1 17 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.808 0.304 18976 14620 1 17 . 1 1 139 139 VAL C C 139 175.763 175.763 175.445 0.318 18976 14621 1 17 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.050 0.629 18976 14622 1 17 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.873 0.659 18976 14623 1 17 . 1 1 139 139 VAL H H 139 9.227 9.227 8.535 0.692 18976 14624 1 17 . 1 1 140 140 ASN N N 140 128.431 128.431 127.025 1.406 18976 14625 1 17 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.333 -0.059 18976 14626 1 17 . 1 1 140 140 ASN C C 140 175.079 175.079 176.079 -1.000 18976 14627 1 17 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.173 -0.507 18976 14628 1 17 . 1 1 140 140 ASN CB C 140 38.227 38.227 39.431 -1.204 18976 14629 1 17 . 1 1 140 140 ASN H H 140 9.360 9.360 8.550 0.810 18976 14630 1 17 . 1 1 141 141 TYR N N 141 119.146 119.146 120.777 -1.631 18976 14631 1 17 . 1 1 141 141 TYR HA H 141 3.386 3.386 4.226 -0.840 18976 14632 1 17 . 1 1 141 141 TYR C C 141 176.092 176.092 177.644 -1.552 18976 14633 1 17 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.948 -0.890 18976 14634 1 17 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.726 -1.367 18976 14635 1 17 . 1 1 141 141 TYR H H 141 8.451 8.451 8.958 -0.507 18976 14636 1 17 . 1 1 142 142 GLU N N 142 118.431 118.431 118.768 -0.337 18976 14637 1 17 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.985 -0.303 18976 14638 1 17 . 1 1 142 142 GLU C C 142 180.226 180.226 179.175 1.051 18976 14639 1 17 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.684 0.399 18976 14640 1 17 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.379 -0.833 18976 14641 1 17 . 1 1 142 142 GLU H H 142 8.097 8.097 8.144 -0.047 18976 14642 1 17 . 1 1 143 143 GLU N N 143 120.068 120.068 120.368 -0.300 18976 14643 1 17 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.208 -0.218 18976 14644 1 17 . 1 1 143 143 GLU C C 143 179.060 179.060 178.937 0.123 18976 14645 1 17 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.193 -0.619 18976 14646 1 17 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.799 -0.617 18976 14647 1 17 . 1 1 143 143 GLU H H 143 8.667 8.667 8.461 0.206 18976 14648 1 17 . 1 1 144 144 PHE N N 144 123.392 123.392 120.969 2.423 18976 14649 1 17 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.098 -0.131 18976 14650 1 17 . 1 1 144 144 PHE C C 144 176.982 176.982 177.288 -0.306 18976 14651 1 17 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.483 -0.037 18976 14652 1 17 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.267 0.428 18976 14653 1 17 . 1 1 144 144 PHE H H 144 8.731 8.731 8.502 0.229 18976 14654 1 17 . 1 1 145 145 VAL N N 145 119.201 119.201 118.624 0.577 18976 14655 1 17 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.452 -0.259 18976 14656 1 17 . 1 1 145 145 VAL C C 145 179.228 179.228 177.318 1.910 18976 14657 1 17 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.399 1.263 18976 14658 1 17 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.542 -0.258 18976 14659 1 17 . 1 1 145 145 VAL H H 145 8.671 8.671 8.058 0.613 18976 14660 1 17 . 1 1 146 146 GLN N N 146 119.252 119.252 119.992 -0.740 18976 14661 1 17 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.966 -0.050 18976 14662 1 17 . 1 1 146 146 GLN C C 146 177.825 177.825 177.847 -0.022 18976 14663 1 17 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.846 -0.279 18976 14664 1 17 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.211 -0.391 18976 14665 1 17 . 1 1 146 146 GLN H H 146 7.767 7.767 7.718 0.049 18976 14666 1 17 . 1 1 147 147 ARG N N 147 118.529 118.529 118.912 -0.383 18976 14667 1 17 . 1 1 147 147 ARG HA H 147 4.172 4.172 3.997 0.175 18976 14668 1 17 . 1 1 147 147 ARG C C 147 178.112 178.112 177.556 0.556 18976 14669 1 17 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.708 -1.199 18976 14670 1 17 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.920 0.194 18976 14671 1 17 . 1 1 147 147 ARG H H 147 7.628 7.628 7.588 0.040 18976 14672 1 17 . 1 1 148 148 MET N N 148 115.755 115.755 116.652 -0.897 18976 14673 1 17 . 1 1 148 148 MET HA H 148 4.304 4.304 4.165 0.139 18976 14674 1 17 . 1 1 148 148 MET C C 148 177.628 177.628 177.452 0.176 18976 14675 1 17 . 1 1 148 148 MET CA C 148 55.489 55.489 57.278 -1.789 18976 14676 1 17 . 1 1 148 148 MET CB C 148 31.773 31.773 32.380 -0.607 18976 14677 1 17 . 1 1 148 148 MET H H 148 8.003 8.003 7.590 0.413 18976 14678 1 17 . 1 1 149 149 THR N N 149 110.062 110.062 112.157 -2.095 18976 14679 1 17 . 1 1 149 149 THR HA H 149 4.349 4.349 4.184 0.165 18976 14680 1 17 . 1 1 149 149 THR C C 149 174.149 174.149 175.371 -1.222 18976 14681 1 17 . 1 1 149 149 THR CA C 149 61.775 61.775 64.555 -2.780 18976 14682 1 17 . 1 1 149 149 THR CB C 149 69.780 69.780 69.387 0.393 18976 14683 1 17 . 1 1 149 149 THR H H 149 7.682 7.682 7.744 -0.062 18976 14684 1 17 . 1 1 150 150 ALA N N 150 126.503 126.503 125.723 0.780 18976 14685 1 17 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.133 0.197 18976 14686 1 17 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.241 0.294 18976 14687 1 17 . 1 1 150 150 ALA CB C 150 18.734 18.734 17.955 0.779 18976 14688 1 17 . 1 1 150 150 ALA H H 150 7.651 7.651 7.541 0.110 18976 14689 1 18 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.239 0.182 18976 14690 1 18 . 1 1 2 2 LEU C C 2 177.129 177.129 175.876 1.253 18976 14691 1 18 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.391 -0.269 18976 14692 1 18 . 1 1 2 2 LEU CB C 2 42.453 42.453 40.727 1.726 18976 14693 1 18 . 1 1 2 2 LEU H H 2 8.641 8.641 8.638 0.003 18976 14694 1 18 . 1 1 3 3 MET N N 3 120.143 120.143 118.646 1.497 18976 14695 1 18 . 1 1 3 3 MET HA H 3 4.451 4.451 4.605 -0.154 18976 14696 1 18 . 1 1 3 3 MET C C 3 176.835 176.835 175.939 0.896 18976 14697 1 18 . 1 1 3 3 MET CA C 3 55.160 55.160 55.333 -0.173 18976 14698 1 18 . 1 1 3 3 MET CB C 3 32.584 32.584 33.633 -1.048 18976 14699 1 18 . 1 1 3 3 MET H H 3 8.396 8.396 8.318 0.078 18976 14700 1 18 . 1 1 4 4 ALA N N 4 123.344 123.344 124.726 -1.382 18976 14701 1 18 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.004 0.056 18976 14702 1 18 . 1 1 4 4 ALA C C 4 177.922 177.922 178.109 -0.187 18976 14703 1 18 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.550 -1.000 18976 14704 1 18 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.162 0.394 18976 14705 1 18 . 1 1 4 4 ALA H H 4 8.396 8.396 8.188 0.208 18976 14706 1 18 . 1 1 5 5 ASP N N 5 116.052 116.052 114.032 2.020 18976 14707 1 18 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.406 0.103 18976 14708 1 18 . 1 1 5 5 ASP C C 5 176.366 176.366 176.549 -0.183 18976 14709 1 18 . 1 1 5 5 ASP CA C 5 54.623 54.623 54.559 0.065 18976 14710 1 18 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.435 -0.172 18976 14711 1 18 . 1 1 5 5 ASP H H 5 8.114 8.114 8.252 -0.138 18976 14712 1 18 . 1 1 6 6 GLN N N 6 117.717 117.717 118.957 -1.240 18976 14713 1 18 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.365 0.012 18976 14714 1 18 . 1 1 6 6 GLN C C 6 175.842 175.842 175.118 0.724 18976 14715 1 18 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.153 0.158 18976 14716 1 18 . 1 1 6 6 GLN CB C 6 29.590 29.590 28.085 1.505 18976 14717 1 18 . 1 1 6 6 GLN H H 6 7.935 7.935 8.407 -0.472 18976 14718 1 18 . 1 1 7 7 LEU N N 7 121.086 121.086 122.024 -0.938 18976 14719 1 18 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.462 0.214 18976 14720 1 18 . 1 1 7 7 LEU C C 7 177.496 177.496 177.342 0.154 18976 14721 1 18 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.626 -0.561 18976 14722 1 18 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.402 0.866 18976 14723 1 18 . 1 1 7 7 LEU H H 7 7.713 7.713 7.419 0.294 18976 14724 1 18 . 1 1 8 8 THR N N 8 112.688 112.688 111.758 0.930 18976 14725 1 18 . 1 1 8 8 THR HA H 8 4.475 4.475 4.495 -0.020 18976 14726 1 18 . 1 1 8 8 THR C C 8 175.511 175.511 175.086 0.425 18976 14727 1 18 . 1 1 8 8 THR CA C 8 60.256 60.256 60.601 -0.345 18976 14728 1 18 . 1 1 8 8 THR CB C 8 71.019 71.019 70.993 0.026 18976 14729 1 18 . 1 1 8 8 THR H H 8 8.800 8.800 7.948 0.852 18976 14730 1 18 . 1 1 9 9 GLU N N 9 120.380 120.380 121.019 -0.639 18976 14731 1 18 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.100 -0.120 18976 14732 1 18 . 1 1 9 9 GLU C C 9 179.492 179.492 178.672 0.820 18976 14733 1 18 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.091 0.835 18976 14734 1 18 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.554 -0.629 18976 14735 1 18 . 1 1 9 9 GLU H H 9 9.040 9.040 8.912 0.128 18976 14736 1 18 . 1 1 10 10 GLU N N 10 119.361 119.361 119.203 0.158 18976 14737 1 18 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.089 -0.015 18976 14738 1 18 . 1 1 10 10 GLU C C 10 179.185 179.185 179.118 0.067 18976 14739 1 18 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.404 0.363 18976 14740 1 18 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.920 -0.124 18976 14741 1 18 . 1 1 10 10 GLU H H 10 8.729 8.729 8.767 -0.038 18976 14742 1 18 . 1 1 11 11 GLN N N 11 120.302 120.302 117.365 2.937 18976 14743 1 18 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.338 -0.470 18976 14744 1 18 . 1 1 11 11 GLN C C 11 178.318 178.318 178.634 -0.316 18976 14745 1 18 . 1 1 11 11 GLN CA C 11 58.384 58.384 57.048 1.336 18976 14746 1 18 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.724 0.161 18976 14747 1 18 . 1 1 11 11 GLN H H 11 7.747 7.747 7.494 0.254 18976 14748 1 18 . 1 1 12 12 ILE N N 12 119.533 119.533 120.433 -0.900 18976 14749 1 18 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.721 -0.003 18976 14750 1 18 . 1 1 12 12 ILE C C 12 177.731 177.731 177.714 0.017 18976 14751 1 18 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.991 0.968 18976 14752 1 18 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.394 0.117 18976 14753 1 18 . 1 1 12 12 ILE H H 12 8.456 8.456 8.023 0.433 18976 14754 1 18 . 1 1 13 13 ALA N N 13 121.161 121.161 122.495 -1.334 18976 14755 1 18 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.005 0.134 18976 14756 1 18 . 1 1 13 13 ALA C C 13 181.019 181.019 179.598 1.421 18976 14757 1 18 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.645 -0.522 18976 14758 1 18 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.192 -0.688 18976 14759 1 18 . 1 1 13 13 ALA H H 13 8.018 8.018 7.814 0.204 18976 14760 1 18 . 1 1 14 14 GLU N N 14 119.619 119.619 118.543 1.076 18976 14761 1 18 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.291 -0.127 18976 14762 1 18 . 1 1 14 14 GLU C C 14 180.534 180.534 179.243 1.291 18976 14763 1 18 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.744 0.380 18976 14764 1 18 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.630 -0.777 18976 14765 1 18 . 1 1 14 14 GLU H H 14 7.792 7.792 7.803 -0.011 18976 14766 1 18 . 1 1 15 15 PHE N N 15 120.089 120.089 120.135 -0.046 18976 14767 1 18 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.560 0.504 18976 14768 1 18 . 1 1 15 15 PHE C C 15 178.700 178.700 177.803 0.897 18976 14769 1 18 . 1 1 15 15 PHE CA C 15 58.857 58.857 60.981 -2.124 18976 14770 1 18 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.101 -1.625 18976 14771 1 18 . 1 1 15 15 PHE H H 15 8.587 8.587 8.817 -0.230 18976 14772 1 18 . 1 1 16 16 LYS N N 16 123.715 123.715 119.322 4.393 18976 14773 1 18 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.196 -0.151 18976 14774 1 18 . 1 1 16 16 LYS C C 16 179.327 179.327 178.866 0.461 18976 14775 1 18 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.424 0.446 18976 14776 1 18 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.625 -0.052 18976 14777 1 18 . 1 1 16 16 LYS H H 16 9.256 9.256 8.332 0.924 18976 14778 1 18 . 1 1 17 17 GLU N N 17 120.262 120.262 121.131 -0.869 18976 14779 1 18 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.162 -0.006 18976 14780 1 18 . 1 1 17 17 GLU C C 17 179.456 179.456 178.903 0.553 18976 14781 1 18 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.058 -0.051 18976 14782 1 18 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.341 -0.532 18976 14783 1 18 . 1 1 17 17 GLU H H 17 7.774 7.774 7.714 0.060 18976 14784 1 18 . 1 1 18 18 ALA N N 18 122.590 122.590 122.201 0.389 18976 14785 1 18 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.201 0.114 18976 14786 1 18 . 1 1 18 18 ALA C C 18 179.060 179.060 179.766 -0.706 18976 14787 1 18 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.040 -0.211 18976 14788 1 18 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.547 -0.749 18976 14789 1 18 . 1 1 18 18 ALA H H 18 8.001 8.001 8.176 -0.175 18976 14790 1 18 . 1 1 19 19 PHE N N 19 119.363 119.363 119.023 0.340 18976 14791 1 18 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.808 -0.574 18976 14792 1 18 . 1 1 19 19 PHE C C 19 177.290 177.290 177.253 0.037 18976 14793 1 18 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.991 0.766 18976 14794 1 18 . 1 1 19 19 PHE CB C 19 39.138 39.138 39.070 0.068 18976 14795 1 18 . 1 1 19 19 PHE H H 19 8.859 8.859 8.318 0.541 18976 14796 1 18 . 1 1 20 20 SER N N 20 112.556 112.556 114.287 -1.731 18976 14797 1 18 . 1 1 20 20 SER HA H 20 4.142 4.142 4.114 0.028 18976 14798 1 18 . 1 1 20 20 SER C C 20 174.955 174.955 175.682 -0.727 18976 14799 1 18 . 1 1 20 20 SER CA C 20 61.007 61.007 61.109 -0.102 18976 14800 1 18 . 1 1 20 20 SER CB C 20 62.960 62.960 63.495 -0.535 18976 14801 1 18 . 1 1 20 20 SER H H 20 7.934 7.934 8.167 -0.233 18976 14802 1 18 . 1 1 21 21 LEU N N 21 120.816 120.816 117.058 3.758 18976 14803 1 18 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.267 -0.251 18976 14804 1 18 . 1 1 21 21 LEU C C 21 178.010 178.010 177.639 0.371 18976 14805 1 18 . 1 1 21 21 LEU CA C 21 56.795 56.795 56.283 0.512 18976 14806 1 18 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.372 -0.240 18976 14807 1 18 . 1 1 21 21 LEU H H 21 7.434 7.434 7.319 0.115 18976 14808 1 18 . 1 1 22 22 PHE N N 22 115.049 115.049 117.400 -2.351 18976 14809 1 18 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.189 0.055 18976 14810 1 18 . 1 1 22 22 PHE C C 22 176.762 176.762 176.855 -0.093 18976 14811 1 18 . 1 1 22 22 PHE CA C 22 59.020 59.020 61.311 -2.291 18976 14812 1 18 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.252 1.478 18976 14813 1 18 . 1 1 22 22 PHE H H 22 7.326 7.326 7.530 -0.204 18976 14814 1 18 . 1 1 23 23 ASP N N 23 117.496 117.496 119.172 -1.676 18976 14815 1 18 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.920 -0.369 18976 14816 1 18 . 1 1 23 23 ASP C C 23 177.167 177.167 176.321 0.846 18976 14817 1 18 . 1 1 23 23 ASP CA C 23 52.041 52.041 52.839 -0.798 18976 14818 1 18 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.054 -0.456 18976 14819 1 18 . 1 1 23 23 ASP H H 23 7.851 7.851 7.855 -0.004 18976 14820 1 18 . 1 1 24 24 LYS N N 24 124.470 124.470 120.349 4.121 18976 14821 1 18 . 1 1 24 24 LYS HA H 24 3.984 3.984 3.896 0.088 18976 14822 1 18 . 1 1 24 24 LYS C C 24 178.127 178.127 177.860 0.267 18976 14823 1 18 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.927 -0.769 18976 14824 1 18 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.450 -0.068 18976 14825 1 18 . 1 1 24 24 LYS H H 24 7.687 7.687 7.745 -0.058 18976 14826 1 18 . 1 1 25 25 ASP N N 25 113.822 113.822 115.402 -1.580 18976 14827 1 18 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.434 0.172 18976 14828 1 18 . 1 1 25 25 ASP C C 25 177.687 177.687 177.557 0.130 18976 14829 1 18 . 1 1 25 25 ASP CA C 25 52.459 52.459 53.986 -1.527 18976 14830 1 18 . 1 1 25 25 ASP CB C 25 39.191 39.191 39.836 -0.645 18976 14831 1 18 . 1 1 25 25 ASP H H 25 8.067 8.067 8.203 -0.136 18976 14832 1 18 . 1 1 26 26 GLY N N 26 109.208 109.208 108.955 0.253 18976 14833 1 18 . 1 1 26 26 GLY C C 26 175.132 175.132 174.853 0.279 18976 14834 1 18 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.637 1.237 18976 14835 1 18 . 1 1 26 26 GLY H H 26 7.698 7.698 7.720 -0.022 18976 14836 1 18 . 1 1 27 27 ASP N N 27 120.603 120.603 119.228 1.375 18976 14837 1 18 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.748 -0.225 18976 14838 1 18 . 1 1 27 27 ASP C C 27 177.452 177.452 177.422 0.030 18976 14839 1 18 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.789 -0.296 18976 14840 1 18 . 1 1 27 27 ASP CB C 27 40.248 40.248 42.316 -2.068 18976 14841 1 18 . 1 1 27 27 ASP H H 27 8.397 8.397 8.556 -0.159 18976 14842 1 18 . 1 1 28 28 GLY N N 28 113.187 113.187 110.383 2.804 18976 14843 1 18 . 1 1 28 28 GLY C C 28 173.679 173.679 173.362 0.317 18976 14844 1 18 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.322 -0.140 18976 14845 1 18 . 1 1 28 28 GLY H H 28 10.648 10.648 8.235 2.413 18976 14846 1 18 . 1 1 29 29 THR N N 29 112.865 112.865 110.167 2.698 18976 14847 1 18 . 1 1 29 29 THR HA H 29 5.310 5.310 5.306 0.004 18976 14848 1 18 . 1 1 29 29 THR C C 29 172.872 172.872 173.717 -0.845 18976 14849 1 18 . 1 1 29 29 THR CA C 29 59.764 59.764 59.806 -0.042 18976 14850 1 18 . 1 1 29 29 THR CB C 29 72.319 72.319 72.073 0.246 18976 14851 1 18 . 1 1 29 29 THR H H 29 8.144 8.144 8.023 0.121 18976 14852 1 18 . 1 1 30 30 ILE N N 30 127.035 127.035 126.892 0.143 18976 14853 1 18 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.739 0.241 18976 14854 1 18 . 1 1 30 30 ILE C C 30 176.072 176.072 177.009 -0.937 18976 14855 1 18 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.607 -0.463 18976 14856 1 18 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.501 1.801 18976 14857 1 18 . 1 1 30 30 ILE H H 30 9.821 9.821 8.915 0.906 18976 14858 1 18 . 1 1 31 31 THR N N 31 116.509 116.509 118.422 -1.913 18976 14859 1 18 . 1 1 31 31 THR HA H 31 4.800 4.800 4.537 0.263 18976 14860 1 18 . 1 1 31 31 THR C C 31 176.542 176.542 176.047 0.495 18976 14861 1 18 . 1 1 31 31 THR CA C 31 59.396 59.396 61.463 -2.067 18976 14862 1 18 . 1 1 31 31 THR CB C 31 72.162 72.162 70.161 2.001 18976 14863 1 18 . 1 1 31 31 THR H H 31 8.469 8.469 8.642 -0.173 18976 14864 1 18 . 1 1 32 32 THR N N 32 112.790 112.790 111.996 0.794 18976 14865 1 18 . 1 1 32 32 THR HA H 32 3.803 3.803 4.293 -0.490 18976 14866 1 18 . 1 1 32 32 THR C C 32 177.188 177.188 176.454 0.734 18976 14867 1 18 . 1 1 32 32 THR CA C 32 66.253 66.253 65.167 1.086 18976 14868 1 18 . 1 1 32 32 THR CB C 32 67.459 67.459 68.710 -1.251 18976 14869 1 18 . 1 1 32 32 THR H H 32 9.128 9.128 8.664 0.464 18976 14870 1 18 . 1 1 33 33 LYS N N 33 120.844 120.844 122.989 -2.145 18976 14871 1 18 . 1 1 33 33 LYS HA H 33 4.148 4.148 3.941 0.207 18976 14872 1 18 . 1 1 33 33 LYS C C 33 179.880 179.880 178.333 1.547 18976 14873 1 18 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.796 -0.857 18976 14874 1 18 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.165 0.070 18976 14875 1 18 . 1 1 33 33 LYS H H 33 7.695 7.695 8.480 -0.785 18976 14876 1 18 . 1 1 34 34 GLU N N 34 121.463 121.463 119.332 2.131 18976 14877 1 18 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.013 0.055 18976 14878 1 18 . 1 1 34 34 GLU C C 34 179.140 179.140 178.953 0.187 18976 14879 1 18 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.278 -0.139 18976 14880 1 18 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.542 0.003 18976 14881 1 18 . 1 1 34 34 GLU H H 34 7.687 7.687 7.629 0.058 18976 14882 1 18 . 1 1 35 35 LEU N N 35 120.583 120.583 120.650 -0.067 18976 14883 1 18 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.165 -0.042 18976 14884 1 18 . 1 1 35 35 LEU C C 35 178.934 178.934 178.348 0.586 18976 14885 1 18 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.668 0.159 18976 14886 1 18 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.853 0.527 18976 14887 1 18 . 1 1 35 35 LEU H H 35 8.745 8.745 7.689 1.056 18976 14888 1 18 . 1 1 36 36 GLY N N 36 128.127 128.127 104.716 23.411 18976 14889 1 18 . 1 1 36 36 GLY C C 36 175.177 175.177 176.128 -0.951 18976 14890 1 18 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.573 0.430 18976 14891 1 18 . 1 1 36 36 GLY H H 36 8.670 8.670 8.303 0.367 18976 14892 1 18 . 1 1 37 37 THR N N 37 117.925 117.925 118.007 -0.082 18976 14893 1 18 . 1 1 37 37 THR HA H 37 3.938 3.938 4.084 -0.146 18976 14894 1 18 . 1 1 37 37 THR C C 37 177.137 177.137 176.260 0.877 18976 14895 1 18 . 1 1 37 37 THR CA C 37 66.648 66.648 66.988 -0.340 18976 14896 1 18 . 1 1 37 37 THR CB C 37 68.383 68.383 68.679 -0.296 18976 14897 1 18 . 1 1 37 37 THR H H 37 7.930 7.930 7.869 0.061 18976 14898 1 18 . 1 1 38 38 VAL N N 38 122.046 122.046 122.078 -0.032 18976 14899 1 18 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.723 -0.200 18976 14900 1 18 . 1 1 38 38 VAL C C 38 179.243 179.243 177.677 1.566 18976 14901 1 18 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.916 0.046 18976 14902 1 18 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.028 0.042 18976 14903 1 18 . 1 1 38 38 VAL H H 38 7.643 7.643 7.576 0.067 18976 14904 1 18 . 1 1 39 39 MET N N 39 118.442 118.442 116.954 1.488 18976 14905 1 18 . 1 1 39 39 MET HA H 39 4.133 4.133 4.206 -0.073 18976 14906 1 18 . 1 1 39 39 MET C C 39 179.125 179.125 178.542 0.583 18976 14907 1 18 . 1 1 39 39 MET CA C 39 58.886 58.886 56.955 1.931 18976 14908 1 18 . 1 1 39 39 MET CB C 39 31.211 31.211 30.916 0.295 18976 14909 1 18 . 1 1 39 39 MET H H 39 8.497 8.497 8.078 0.419 18976 14910 1 18 . 1 1 40 40 ARG N N 40 118.929 118.929 120.110 -1.181 18976 14911 1 18 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.438 0.395 18976 14912 1 18 . 1 1 40 40 ARG C C 40 181.224 181.224 179.169 2.055 18976 14913 1 18 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.453 -0.567 18976 14914 1 18 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.991 -1.156 18976 14915 1 18 . 1 1 40 40 ARG H H 40 8.536 8.536 7.783 0.753 18976 14916 1 18 . 1 1 41 41 SER N N 41 118.832 118.832 116.190 2.642 18976 14917 1 18 . 1 1 41 41 SER HA H 41 4.425 4.425 4.274 0.151 18976 14918 1 18 . 1 1 41 41 SER C C 41 174.839 174.839 175.421 -0.582 18976 14919 1 18 . 1 1 41 41 SER CA C 41 61.249 61.249 61.093 0.156 18976 14920 1 18 . 1 1 41 41 SER CB C 41 62.464 62.464 62.836 -0.372 18976 14921 1 18 . 1 1 41 41 SER H H 41 7.925 7.925 7.505 0.420 18976 14922 1 18 . 1 1 42 42 LEU N N 42 120.676 120.676 120.194 0.482 18976 14923 1 18 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.427 0.090 18976 14924 1 18 . 1 1 42 42 LEU C C 42 177.540 177.540 177.187 0.353 18976 14925 1 18 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.277 -0.045 18976 14926 1 18 . 1 1 42 42 LEU CB C 42 41.670 41.670 40.552 1.118 18976 14927 1 18 . 1 1 42 42 LEU H H 42 7.395 7.395 7.438 -0.043 18976 14928 1 18 . 1 1 43 43 GLY N N 43 106.840 106.840 107.841 -1.001 18976 14929 1 18 . 1 1 43 43 GLY C C 43 174.384 174.384 174.088 0.296 18976 14930 1 18 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.208 0.100 18976 14931 1 18 . 1 1 43 43 GLY H H 43 7.885 7.885 7.675 0.210 18976 14932 1 18 . 1 1 44 44 GLN N N 44 118.414 118.414 119.263 -0.849 18976 14933 1 18 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.484 0.018 18976 14934 1 18 . 1 1 44 44 GLN C C 44 174.134 174.134 174.640 -0.506 18976 14935 1 18 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.623 -0.439 18976 14936 1 18 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.869 -0.595 18976 14937 1 18 . 1 1 44 44 GLN H H 44 7.805 7.805 7.753 0.052 18976 14938 1 18 . 1 1 45 45 ASN N N 45 116.265 116.265 119.199 -2.934 18976 14939 1 18 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.057 0.144 18976 14940 1 18 . 1 1 45 45 ASN CA C 45 50.957 50.957 50.242 0.715 18976 14941 1 18 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.170 -0.261 18976 14942 1 18 . 1 1 45 45 ASN H H 45 8.733 8.733 8.612 0.121 18976 14943 1 18 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.849 -0.062 18976 14944 1 18 . 1 1 46 46 PRO C C 46 177.745 177.745 176.713 1.032 18976 14945 1 18 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.167 -0.062 18976 14946 1 18 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.109 -1.406 18976 14947 1 18 . 1 1 47 47 THR N N 47 112.958 112.958 113.844 -0.886 18976 14948 1 18 . 1 1 47 47 THR HA H 47 4.451 4.451 4.539 -0.088 18976 14949 1 18 . 1 1 47 47 THR C C 47 175.159 175.159 176.003 -0.844 18976 14950 1 18 . 1 1 47 47 THR CA C 47 60.078 60.078 60.077 0.001 18976 14951 1 18 . 1 1 47 47 THR CB C 47 71.001 71.001 70.916 0.085 18976 14952 1 18 . 1 1 47 47 THR H H 47 8.767 8.767 8.137 0.630 18976 14953 1 18 . 1 1 48 48 GLU N N 48 120.607 120.607 124.231 -3.624 18976 14954 1 18 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.874 0.132 18976 14955 1 18 . 1 1 48 48 GLU C C 48 178.949 178.949 178.340 0.609 18976 14956 1 18 . 1 1 48 48 GLU CA C 48 59.741 59.741 60.041 -0.300 18976 14957 1 18 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.273 -0.581 18976 14958 1 18 . 1 1 48 48 GLU H H 48 8.824 8.824 9.014 -0.190 18976 14959 1 18 . 1 1 49 49 ALA N N 49 120.678 120.678 121.418 -0.740 18976 14960 1 18 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.142 -0.023 18976 14961 1 18 . 1 1 49 49 ALA C C 49 180.226 180.226 179.428 0.798 18976 14962 1 18 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.746 -0.030 18976 14963 1 18 . 1 1 49 49 ALA CB C 49 17.873 17.873 17.997 -0.124 18976 14964 1 18 . 1 1 49 49 ALA H H 49 8.279 8.279 8.232 0.047 18976 14965 1 18 . 1 1 50 50 GLU N N 50 118.703 118.703 119.956 -1.253 18976 14966 1 18 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.106 -0.054 18976 14967 1 18 . 1 1 50 50 GLU C C 50 180.182 180.182 179.003 1.179 18976 14968 1 18 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.970 -0.113 18976 14969 1 18 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.781 -0.413 18976 14970 1 18 . 1 1 50 50 GLU H H 50 7.712 7.712 7.674 0.038 18976 14971 1 18 . 1 1 51 51 LEU N N 51 120.420 120.420 118.908 1.512 18976 14972 1 18 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.146 -0.052 18976 14973 1 18 . 1 1 51 51 LEU C C 51 178.494 178.494 179.548 -1.054 18976 14974 1 18 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.780 0.899 18976 14975 1 18 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.434 1.622 18976 14976 1 18 . 1 1 51 51 LEU H H 51 8.192 8.192 7.738 0.454 18976 14977 1 18 . 1 1 52 52 GLN N N 52 118.200 118.200 119.145 -0.945 18976 14978 1 18 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.012 -0.174 18976 14979 1 18 . 1 1 52 52 GLN C C 52 178.518 178.518 178.017 0.501 18976 14980 1 18 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.835 -0.638 18976 14981 1 18 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.082 -0.178 18976 14982 1 18 . 1 1 52 52 GLN H H 52 8.212 8.212 7.729 0.483 18976 14983 1 18 . 1 1 53 53 ASP N N 53 119.922 119.922 120.219 -0.297 18976 14984 1 18 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.475 -0.045 18976 14985 1 18 . 1 1 53 53 ASP C C 53 178.635 178.635 178.598 0.037 18976 14986 1 18 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.147 0.115 18976 14987 1 18 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.659 -0.697 18976 14988 1 18 . 1 1 53 53 ASP H H 53 8.108 8.108 7.705 0.403 18976 14989 1 18 . 1 1 54 54 MET N N 54 119.290 119.290 118.764 0.526 18976 14990 1 18 . 1 1 54 54 MET HA H 54 4.044 4.044 4.162 -0.118 18976 14991 1 18 . 1 1 54 54 MET C C 54 178.876 178.876 178.973 -0.097 18976 14992 1 18 . 1 1 54 54 MET CA C 54 59.108 59.108 59.230 -0.122 18976 14993 1 18 . 1 1 54 54 MET CB C 54 32.930 32.930 32.694 0.236 18976 14994 1 18 . 1 1 54 54 MET H H 54 7.865 7.865 7.535 0.330 18976 14995 1 18 . 1 1 55 55 ILE N N 55 118.056 118.056 120.864 -2.808 18976 14996 1 18 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.661 -0.146 18976 14997 1 18 . 1 1 55 55 ILE C C 55 177.760 177.760 177.621 0.139 18976 14998 1 18 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.045 -0.565 18976 14999 1 18 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.867 -0.887 18976 15000 1 18 . 1 1 55 55 ILE H H 55 7.710 7.710 7.745 -0.035 18976 15001 1 18 . 1 1 56 56 ASN N N 56 117.688 117.688 118.108 -0.420 18976 15002 1 18 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.468 -0.076 18976 15003 1 18 . 1 1 56 56 ASN C C 56 177.393 177.393 177.291 0.102 18976 15004 1 18 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.696 -0.110 18976 15005 1 18 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.919 -0.264 18976 15006 1 18 . 1 1 56 56 ASN H H 56 8.606 8.606 8.095 0.511 18976 15007 1 18 . 1 1 57 57 GLU N N 57 116.316 116.316 118.003 -1.687 18976 15008 1 18 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.090 -0.047 18976 15009 1 18 . 1 1 57 57 GLU C C 57 177.569 177.569 177.900 -0.331 18976 15010 1 18 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.952 -0.320 18976 15011 1 18 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.135 -0.036 18976 15012 1 18 . 1 1 57 57 GLU H H 57 7.580 7.580 7.703 -0.123 18976 15013 1 18 . 1 1 58 58 VAL N N 58 108.390 108.390 112.526 -4.136 18976 15014 1 18 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.080 0.402 18976 15015 1 18 . 1 1 58 58 VAL C C 58 175.749 175.749 175.477 0.272 18976 15016 1 18 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.640 -2.223 18976 15017 1 18 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.041 0.325 18976 15018 1 18 . 1 1 58 58 VAL H H 58 7.219 7.219 7.252 -0.033 18976 15019 1 18 . 1 1 59 59 ASP N N 59 121.728 121.728 120.047 1.681 18976 15020 1 18 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.746 -0.104 18976 15021 1 18 . 1 1 59 59 ASP C C 59 176.219 176.219 175.616 0.603 18976 15022 1 18 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.483 -1.015 18976 15023 1 18 . 1 1 59 59 ASP CB C 59 39.865 39.865 42.230 -2.365 18976 15024 1 18 . 1 1 59 59 ASP H H 59 7.674 7.674 7.819 -0.145 18976 15025 1 18 . 1 1 60 60 ALA N N 60 109.214 109.214 130.360 -21.146 18976 15026 1 18 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.170 0.046 18976 15027 1 18 . 1 1 60 60 ALA C C 60 178.626 178.626 178.484 0.142 18976 15028 1 18 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.805 0.180 18976 15029 1 18 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.883 -0.737 18976 15030 1 18 . 1 1 60 60 ALA H H 60 8.481 8.481 8.461 0.020 18976 15031 1 18 . 1 1 61 61 ASP N N 61 113.667 113.667 116.643 -2.976 18976 15032 1 18 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.550 0.073 18976 15033 1 18 . 1 1 61 61 ASP C C 61 177.848 177.848 177.732 0.116 18976 15034 1 18 . 1 1 61 61 ASP CA C 61 52.411 52.411 53.785 -1.374 18976 15035 1 18 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.916 -1.365 18976 15036 1 18 . 1 1 61 61 ASP H H 61 8.158 8.158 8.088 0.070 18976 15037 1 18 . 1 1 62 62 GLY N N 62 108.314 108.314 109.217 -0.903 18976 15038 1 18 . 1 1 62 62 GLY C C 62 174.933 174.933 175.397 -0.464 18976 15039 1 18 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.807 1.135 18976 15040 1 18 . 1 1 62 62 GLY H H 62 7.585 7.585 8.346 -0.761 18976 15041 1 18 . 1 1 63 63 ASN N N 63 118.384 118.384 118.730 -0.346 18976 15042 1 18 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.693 -0.036 18976 15043 1 18 . 1 1 63 63 ASN C C 63 176.835 176.835 176.600 0.235 18976 15044 1 18 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.748 -0.525 18976 15045 1 18 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.231 -1.865 18976 15046 1 18 . 1 1 63 63 ASN H H 63 8.086 8.086 8.656 -0.570 18976 15047 1 18 . 1 1 64 64 GLY N N 64 113.412 113.412 110.195 3.217 18976 15048 1 18 . 1 1 64 64 GLY C C 64 173.254 173.254 173.587 -0.333 18976 15049 1 18 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.392 0.005 18976 15050 1 18 . 1 1 64 64 GLY H H 64 10.618 10.618 8.205 2.413 18976 15051 1 18 . 1 1 65 65 THR N N 65 108.877 108.877 114.305 -5.428 18976 15052 1 18 . 1 1 65 65 THR HA H 65 4.766 4.766 4.679 0.087 18976 15053 1 18 . 1 1 65 65 THR C C 65 173.195 173.195 173.558 -0.363 18976 15054 1 18 . 1 1 65 65 THR CA C 65 59.301 59.301 61.498 -2.197 18976 15055 1 18 . 1 1 65 65 THR CB C 65 71.695 71.695 72.610 -0.915 18976 15056 1 18 . 1 1 65 65 THR H H 65 7.684 7.684 8.045 -0.361 18976 15057 1 18 . 1 1 66 66 ILE N N 66 123.673 123.673 125.955 -2.282 18976 15058 1 18 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.471 0.719 18976 15059 1 18 . 1 1 66 66 ILE C C 66 175.529 175.529 175.495 0.034 18976 15060 1 18 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.058 -1.374 18976 15061 1 18 . 1 1 66 66 ILE CB C 66 39.417 39.417 37.712 1.705 18976 15062 1 18 . 1 1 66 66 ILE H H 66 8.912 8.912 8.653 0.259 18976 15063 1 18 . 1 1 67 67 ASP N N 67 128.135 128.135 128.614 -0.479 18976 15064 1 18 . 1 1 67 67 ASP HA H 67 5.384 5.384 4.860 0.524 18976 15065 1 18 . 1 1 67 67 ASP C C 67 176.322 176.322 176.764 -0.442 18976 15066 1 18 . 1 1 67 67 ASP CA C 67 51.843 51.843 55.337 -3.494 18976 15067 1 18 . 1 1 67 67 ASP CB C 67 41.787 41.787 41.727 0.060 18976 15068 1 18 . 1 1 67 67 ASP H H 67 8.824 8.824 8.609 0.215 18976 15069 1 18 . 1 1 68 68 PHE N N 68 118.627 118.627 123.203 -4.576 18976 15070 1 18 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.857 0.167 18976 15071 1 18 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.411 0.759 18976 15072 1 18 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.945 -1.344 18976 15073 1 18 . 1 1 68 68 PHE H H 68 8.943 8.943 9.097 -0.154 18976 15074 1 18 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.962 -0.086 18976 15075 1 18 . 1 1 69 69 PRO C C 69 180.037 180.037 178.344 1.693 18976 15076 1 18 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.429 0.963 18976 15077 1 18 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.971 -0.597 18976 15078 1 18 . 1 1 70 70 GLU N N 70 117.615 117.615 117.802 -0.187 18976 15079 1 18 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.196 -0.088 18976 15080 1 18 . 1 1 70 70 GLU C C 70 178.773 178.773 178.705 0.068 18976 15081 1 18 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.147 0.419 18976 15082 1 18 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.400 -0.374 18976 15083 1 18 . 1 1 70 70 GLU H H 70 7.969 7.969 7.670 0.299 18976 15084 1 18 . 1 1 71 71 PHE N N 71 123.460 123.460 122.307 1.153 18976 15085 1 18 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.203 -0.229 18976 15086 1 18 . 1 1 71 71 PHE C C 71 177.041 177.041 176.479 0.562 18976 15087 1 18 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.239 -0.212 18976 15088 1 18 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.203 0.504 18976 15089 1 18 . 1 1 71 71 PHE H H 71 8.861 8.861 7.903 0.958 18976 15090 1 18 . 1 1 72 72 LEU N N 72 118.749 118.749 119.100 -0.351 18976 15091 1 18 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.702 -0.334 18976 15092 1 18 . 1 1 72 72 LEU C C 72 178.949 178.949 179.019 -0.070 18976 15093 1 18 . 1 1 72 72 LEU CA C 72 57.596 57.596 58.564 -0.968 18976 15094 1 18 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.650 0.092 18976 15095 1 18 . 1 1 72 72 LEU H H 72 8.411 8.411 7.538 0.873 18976 15096 1 18 . 1 1 73 73 THR N N 73 115.213 115.213 113.434 1.779 18976 15097 1 18 . 1 1 73 73 THR HA H 73 3.753 3.753 3.804 -0.051 18976 15098 1 18 . 1 1 73 73 THR C C 73 175.955 175.955 176.245 -0.290 18976 15099 1 18 . 1 1 73 73 THR CA C 73 66.313 66.313 65.913 0.400 18976 15100 1 18 . 1 1 73 73 THR CB C 73 68.075 68.075 68.584 -0.509 18976 15101 1 18 . 1 1 73 73 THR H H 73 7.522 7.522 7.461 0.061 18976 15102 1 18 . 1 1 74 74 MET N N 74 121.455 121.455 121.595 -0.140 18976 15103 1 18 . 1 1 74 74 MET HA H 74 3.773 3.773 4.081 -0.308 18976 15104 1 18 . 1 1 74 74 MET C C 74 178.098 178.098 178.256 -0.158 18976 15105 1 18 . 1 1 74 74 MET CA C 74 58.603 58.603 58.227 0.376 18976 15106 1 18 . 1 1 74 74 MET CB C 74 32.905 32.905 32.232 0.673 18976 15107 1 18 . 1 1 74 74 MET H H 74 7.783 7.783 7.659 0.124 18976 15108 1 18 . 1 1 75 75 MET N N 75 116.557 116.557 116.746 -0.189 18976 15109 1 18 . 1 1 75 75 MET HA H 75 3.998 3.998 4.032 -0.034 18976 15110 1 18 . 1 1 75 75 MET C C 75 178.700 178.700 178.100 0.600 18976 15111 1 18 . 1 1 75 75 MET CA C 75 55.472 55.472 57.407 -1.935 18976 15112 1 18 . 1 1 75 75 MET CB C 75 30.693 30.693 30.619 0.074 18976 15113 1 18 . 1 1 75 75 MET H H 75 8.077 8.077 8.012 0.065 18976 15114 1 18 . 1 1 76 76 ALA N N 76 122.410 122.410 122.441 -0.031 18976 15115 1 18 . 1 1 76 76 ALA HA H 76 4.089 4.089 4.008 0.081 18976 15116 1 18 . 1 1 76 76 ALA C C 76 179.683 179.683 179.413 0.270 18976 15117 1 18 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.516 -0.140 18976 15118 1 18 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.111 -0.332 18976 15119 1 18 . 1 1 76 76 ALA H H 76 8.303 8.303 7.614 0.689 18976 15120 1 18 . 1 1 77 77 ARG N N 77 116.451 116.451 118.693 -2.242 18976 15121 1 18 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.099 0.003 18976 15122 1 18 . 1 1 77 77 ARG C C 77 177.701 177.701 178.121 -0.420 18976 15123 1 18 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.230 -0.188 18976 15124 1 18 . 1 1 77 77 ARG CB C 77 30.008 30.008 29.978 0.030 18976 15125 1 18 . 1 1 77 77 ARG H H 77 7.622 7.622 7.797 -0.175 18976 15126 1 18 . 1 1 78 78 LYS N N 78 118.021 118.021 118.679 -0.658 18976 15127 1 18 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.264 -0.025 18976 15128 1 18 . 1 1 78 78 LYS C C 78 177.525 177.525 178.079 -0.554 18976 15129 1 18 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.170 -1.449 18976 15130 1 18 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.531 -0.318 18976 15131 1 18 . 1 1 78 78 LYS H H 78 7.577 7.577 7.541 0.036 18976 15132 1 18 . 1 1 79 79 MET N N 79 118.929 118.929 116.604 2.325 18976 15133 1 18 . 1 1 79 79 MET HA H 79 4.351 4.351 4.354 -0.003 18976 15134 1 18 . 1 1 79 79 MET C C 79 176.322 176.322 176.236 0.086 18976 15135 1 18 . 1 1 79 79 MET CA C 79 56.345 56.345 56.931 -0.586 18976 15136 1 18 . 1 1 79 79 MET CB C 79 32.946 32.946 32.815 0.131 18976 15137 1 18 . 1 1 79 79 MET H H 79 7.772 7.772 7.290 0.482 18976 15138 1 18 . 1 1 80 80 LYS N N 80 120.686 120.686 117.289 3.397 18976 15139 1 18 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.418 -0.091 18976 15140 1 18 . 1 1 80 80 LYS C C 80 176.395 176.395 175.915 0.480 18976 15141 1 18 . 1 1 80 80 LYS CA C 80 56.144 56.144 56.264 -0.119 18976 15142 1 18 . 1 1 80 80 LYS CB C 80 32.808 32.808 32.227 0.581 18976 15143 1 18 . 1 1 80 80 LYS H H 80 7.955 7.955 7.549 0.406 18976 15144 1 18 . 1 1 81 81 ASP N N 81 121.721 121.721 118.642 3.079 18976 15145 1 18 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.916 -0.227 18976 15146 1 18 . 1 1 81 81 ASP C C 81 176.644 176.644 176.231 0.413 18976 15147 1 18 . 1 1 81 81 ASP CA C 81 54.286 54.286 53.819 0.466 18976 15148 1 18 . 1 1 81 81 ASP CB C 81 40.793 40.793 42.956 -2.163 18976 15149 1 18 . 1 1 81 81 ASP H H 81 8.341 8.341 7.646 0.695 18976 15150 1 18 . 1 1 82 82 THR N N 82 114.594 114.594 119.679 -5.085 18976 15151 1 18 . 1 1 82 82 THR HA H 82 4.323 4.323 3.798 0.525 18976 15152 1 18 . 1 1 82 82 THR C C 82 174.584 174.584 175.388 -0.804 18976 15153 1 18 . 1 1 82 82 THR CA C 82 61.955 61.955 65.313 -3.358 18976 15154 1 18 . 1 1 82 82 THR CB C 82 69.586 69.586 67.945 1.641 18976 15155 1 18 . 1 1 82 82 THR H H 82 8.123 8.123 8.581 -0.458 18976 15156 1 18 . 1 1 83 83 ASP N N 83 123.126 123.126 122.869 0.257 18976 15157 1 18 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.389 0.310 18976 15158 1 18 . 1 1 83 83 ASP C C 83 176.674 176.674 178.011 -1.337 18976 15159 1 18 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.526 -2.035 18976 15160 1 18 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.866 0.174 18976 15161 1 18 . 1 1 83 83 ASP H H 83 8.439 8.439 8.204 0.235 18976 15162 1 18 . 1 1 84 84 SER N N 84 116.982 116.982 113.797 3.185 18976 15163 1 18 . 1 1 84 84 SER HA H 84 4.458 4.458 4.097 0.361 18976 15164 1 18 . 1 1 84 84 SER C C 84 175.393 175.393 176.213 -0.820 18976 15165 1 18 . 1 1 84 84 SER CA C 84 58.943 58.943 61.353 -2.410 18976 15166 1 18 . 1 1 84 84 SER CB C 84 63.550 63.550 62.884 0.666 18976 15167 1 18 . 1 1 84 84 SER H H 84 8.418 8.418 8.665 -0.247 18976 15168 1 18 . 1 1 85 85 GLU N N 85 122.632 122.632 120.497 2.135 18976 15169 1 18 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.016 0.195 18976 15170 1 18 . 1 1 85 85 GLU C C 85 177.716 177.716 178.146 -0.430 18976 15171 1 18 . 1 1 85 85 GLU CA C 85 58.539 58.539 58.847 -0.308 18976 15172 1 18 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.732 0.495 18976 15173 1 18 . 1 1 85 85 GLU H H 85 8.504 8.504 7.808 0.696 18976 15174 1 18 . 1 1 86 86 GLU N N 86 119.077 119.077 118.870 0.207 18976 15175 1 18 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.012 0.049 18976 15176 1 18 . 1 1 86 86 GLU C C 86 178.885 178.885 178.491 0.394 18976 15177 1 18 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.670 0.695 18976 15178 1 18 . 1 1 86 86 GLU CB C 86 29.065 29.065 28.960 0.105 18976 15179 1 18 . 1 1 86 86 GLU H H 86 8.333 8.333 7.854 0.479 18976 15180 1 18 . 1 1 87 87 GLU N N 87 119.138 119.138 119.879 -0.741 18976 15181 1 18 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.104 0.042 18976 15182 1 18 . 1 1 87 87 GLU C C 87 179.823 179.823 178.802 1.021 18976 15183 1 18 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.770 0.140 18976 15184 1 18 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.763 -0.497 18976 15185 1 18 . 1 1 87 87 GLU H H 87 8.130 8.130 7.906 0.224 18976 15186 1 18 . 1 1 88 88 LEU N N 88 122.103 122.103 120.225 1.878 18976 15187 1 18 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.226 0.165 18976 15188 1 18 . 1 1 88 88 LEU C C 88 178.905 178.905 178.599 0.306 18976 15189 1 18 . 1 1 88 88 LEU CA C 88 57.716 57.716 58.192 -0.476 18976 15190 1 18 . 1 1 88 88 LEU CB C 88 41.861 41.861 42.036 -0.175 18976 15191 1 18 . 1 1 88 88 LEU H H 88 8.152 8.152 7.499 0.653 18976 15192 1 18 . 1 1 89 89 ARG N N 89 120.092 120.092 118.398 1.694 18976 15193 1 18 . 1 1 89 89 ARG HA H 89 4.050 4.050 3.997 0.053 18976 15194 1 18 . 1 1 89 89 ARG C C 89 179.507 179.507 178.783 0.724 18976 15195 1 18 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.840 -0.429 18976 15196 1 18 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.703 -0.243 18976 15197 1 18 . 1 1 89 89 ARG H H 89 8.499 8.499 7.548 0.951 18976 15198 1 18 . 1 1 90 90 GLU N N 90 119.315 119.315 119.958 -0.643 18976 15199 1 18 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.093 0.074 18976 15200 1 18 . 1 1 90 90 GLU C C 90 178.068 178.068 178.461 -0.393 18976 15201 1 18 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.200 -0.610 18976 15202 1 18 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.738 -0.809 18976 15203 1 18 . 1 1 90 90 GLU H H 90 8.040 8.040 7.779 0.261 18976 15204 1 18 . 1 1 91 91 ALA N N 91 121.794 121.794 122.167 -0.373 18976 15205 1 18 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.107 0.104 18976 15206 1 18 . 1 1 91 91 ALA C C 91 179.855 179.855 179.368 0.487 18976 15207 1 18 . 1 1 91 91 ALA CA C 91 54.726 54.726 55.171 -0.445 18976 15208 1 18 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.401 -0.831 18976 15209 1 18 . 1 1 91 91 ALA H H 91 7.996 7.996 7.996 -0.000 18976 15210 1 18 . 1 1 92 92 PHE N N 92 119.368 119.368 118.322 1.046 18976 15211 1 18 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.750 -0.620 18976 15212 1 18 . 1 1 92 92 PHE C C 92 176.454 176.454 177.071 -0.617 18976 15213 1 18 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.560 -0.328 18976 15214 1 18 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.159 -0.232 18976 15215 1 18 . 1 1 92 92 PHE H H 92 8.360 8.360 8.377 -0.017 18976 15216 1 18 . 1 1 93 93 ARG N N 93 117.178 117.178 118.556 -1.378 18976 15217 1 18 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.987 -0.122 18976 15218 1 18 . 1 1 93 93 ARG C C 93 178.421 178.421 178.443 -0.022 18976 15219 1 18 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.977 -0.136 18976 15220 1 18 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.074 -0.168 18976 15221 1 18 . 1 1 93 93 ARG H H 93 7.895 7.895 7.378 0.517 18976 15222 1 18 . 1 1 94 94 VAL N N 94 115.719 115.719 119.507 -3.788 18976 15223 1 18 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.749 -0.149 18976 15224 1 18 . 1 1 94 94 VAL C C 94 177.334 177.334 177.456 -0.122 18976 15225 1 18 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.381 -0.349 18976 15226 1 18 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.307 0.237 18976 15227 1 18 . 1 1 94 94 VAL H H 94 7.541 7.541 7.987 -0.446 18976 15228 1 18 . 1 1 95 95 GLU N N 95 117.921 117.921 115.192 2.729 18976 15229 1 18 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.092 -0.084 18976 15230 1 18 . 1 1 95 95 GLU C C 95 176.953 176.953 176.328 0.625 18976 15231 1 18 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.613 0.643 18976 15232 1 18 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.672 -0.984 18976 15233 1 18 . 1 1 95 95 GLU H H 95 7.011 7.011 7.819 -0.808 18976 15234 1 18 . 1 1 96 96 ASP N N 96 117.365 117.365 118.223 -0.858 18976 15235 1 18 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.953 -0.503 18976 15236 1 18 . 1 1 96 96 ASP C C 96 177.202 177.202 175.993 1.209 18976 15237 1 18 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.416 -0.943 18976 15238 1 18 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.152 -2.078 18976 15239 1 18 . 1 1 96 96 ASP H H 96 7.626 7.626 7.256 0.370 18976 15240 1 18 . 1 1 97 97 LYS N N 97 124.733 124.733 123.671 1.062 18976 15241 1 18 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.015 -0.114 18976 15242 1 18 . 1 1 97 97 LYS C C 97 178.333 178.333 178.006 0.327 18976 15243 1 18 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.336 0.269 18976 15244 1 18 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.547 -0.117 18976 15245 1 18 . 1 1 97 97 LYS H H 97 7.357 7.357 8.330 -0.973 18976 15246 1 18 . 1 1 98 98 ASP N N 98 114.048 114.048 115.139 -1.091 18976 15247 1 18 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.495 0.073 18976 15248 1 18 . 1 1 98 98 ASP C C 98 177.775 177.775 177.482 0.293 18976 15249 1 18 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.286 -1.629 18976 15250 1 18 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.578 -0.985 18976 15251 1 18 . 1 1 98 98 ASP H H 98 8.352 8.352 8.162 0.190 18976 15252 1 18 . 1 1 99 99 GLY N N 99 109.454 109.454 108.820 0.634 18976 15253 1 18 . 1 1 99 99 GLY C C 99 175.082 175.082 175.151 -0.069 18976 15254 1 18 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.721 1.107 18976 15255 1 18 . 1 1 99 99 GLY H H 99 7.828 7.828 8.033 -0.205 18976 15256 1 18 . 1 1 100 100 ASN N N 100 119.607 119.607 118.669 0.938 18976 15257 1 18 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.795 -0.160 18976 15258 1 18 . 1 1 100 100 ASN C C 100 175.969 175.969 176.843 -0.874 18976 15259 1 18 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.971 -0.488 18976 15260 1 18 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.387 -1.506 18976 15261 1 18 . 1 1 100 100 ASN H H 100 8.334 8.334 8.489 -0.155 18976 15262 1 18 . 1 1 101 101 GLY N N 101 113.007 113.007 107.684 5.323 18976 15263 1 18 . 1 1 101 101 GLY C C 101 172.314 172.314 172.965 -0.651 18976 15264 1 18 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.099 -0.416 18976 15265 1 18 . 1 1 101 101 GLY H H 101 10.640 10.640 9.043 1.597 18976 15266 1 18 . 1 1 102 102 TYR N N 102 115.913 115.913 118.373 -2.460 18976 15267 1 18 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.330 -0.144 18976 15268 1 18 . 1 1 102 102 TYR C C 102 174.736 174.736 175.256 -0.520 18976 15269 1 18 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.194 -0.533 18976 15270 1 18 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.276 2.525 18976 15271 1 18 . 1 1 102 102 TYR H H 102 7.610 7.610 8.064 -0.454 18976 15272 1 18 . 1 1 103 103 ILE N N 103 127.698 127.698 124.607 3.091 18976 15273 1 18 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.563 0.253 18976 15274 1 18 . 1 1 103 103 ILE C C 103 175.634 175.634 175.955 -0.321 18976 15275 1 18 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.302 0.136 18976 15276 1 18 . 1 1 103 103 ILE CB C 103 38.919 38.919 38.620 0.298 18976 15277 1 18 . 1 1 103 103 ILE H H 103 10.228 10.228 8.284 1.944 18976 15278 1 18 . 1 1 104 104 SER N N 104 123.581 123.581 121.606 1.975 18976 15279 1 18 . 1 1 104 104 SER HA H 104 4.849 4.849 5.458 -0.609 18976 15280 1 18 . 1 1 104 104 SER C C 104 175.191 175.191 175.279 -0.088 18976 15281 1 18 . 1 1 104 104 SER CA C 104 55.499 55.499 54.760 0.739 18976 15282 1 18 . 1 1 104 104 SER CB C 104 66.371 66.371 65.944 0.427 18976 15283 1 18 . 1 1 104 104 SER H H 104 8.947 8.947 8.110 0.837 18976 15284 1 18 . 1 1 105 105 ALA N N 105 122.829 122.829 127.495 -4.666 18976 15285 1 18 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.122 -0.193 18976 15286 1 18 . 1 1 105 105 ALA C C 105 179.272 179.272 178.884 0.388 18976 15287 1 18 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.300 0.360 18976 15288 1 18 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.584 -0.901 18976 15289 1 18 . 1 1 105 105 ALA H H 105 9.251 9.251 9.081 0.170 18976 15290 1 18 . 1 1 106 106 ALA N N 106 118.442 118.442 120.741 -2.299 18976 15291 1 18 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.930 0.106 18976 15292 1 18 . 1 1 106 106 ALA C C 106 181.180 181.180 178.848 2.332 18976 15293 1 18 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.867 -0.026 18976 15294 1 18 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.047 -0.003 18976 15295 1 18 . 1 1 106 106 ALA H H 106 8.209 8.209 8.161 0.048 18976 15296 1 18 . 1 1 107 107 GLU N N 107 118.406 118.406 118.518 -0.112 18976 15297 1 18 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.117 -0.125 18976 15298 1 18 . 1 1 107 107 GLU C C 107 179.272 179.272 178.696 0.576 18976 15299 1 18 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.547 0.594 18976 15300 1 18 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.505 -0.749 18976 15301 1 18 . 1 1 107 107 GLU H H 107 7.752 7.752 7.677 0.075 18976 15302 1 18 . 1 1 108 108 LEU N N 108 122.413 122.413 119.577 2.836 18976 15303 1 18 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.017 0.055 18976 15304 1 18 . 1 1 108 108 LEU C C 108 178.553 178.553 179.203 -0.650 18976 15305 1 18 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.714 -0.422 18976 15306 1 18 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.603 -0.161 18976 15307 1 18 . 1 1 108 108 LEU H H 108 8.793 8.793 8.412 0.381 18976 15308 1 18 . 1 1 109 109 ARG N N 109 118.074 118.074 118.393 -0.319 18976 15309 1 18 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.986 -0.129 18976 15310 1 18 . 1 1 109 109 ARG C C 109 179.140 179.140 178.619 0.521 18976 15311 1 18 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.765 0.021 18976 15312 1 18 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.099 -0.275 18976 15313 1 18 . 1 1 109 109 ARG H H 109 8.421 8.421 7.555 0.866 18976 15314 1 18 . 1 1 110 110 ILE N N 110 120.191 120.191 118.939 1.252 18976 15315 1 18 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.026 -0.239 18976 15316 1 18 . 1 1 110 110 ILE C C 110 177.804 177.804 177.336 0.468 18976 15317 1 18 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.175 1.378 18976 15318 1 18 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.012 0.046 18976 15319 1 18 . 1 1 110 110 ILE H H 110 7.401 7.401 7.399 0.002 18976 15320 1 18 . 1 1 111 111 VAL N N 111 120.330 120.330 119.149 1.181 18976 15321 1 18 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.723 0.040 18976 15322 1 18 . 1 1 111 111 VAL C C 111 178.802 178.802 177.431 1.371 18976 15323 1 18 . 1 1 111 111 VAL CA C 111 65.690 65.690 66.093 -0.403 18976 15324 1 18 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.139 -0.547 18976 15325 1 18 . 1 1 111 111 VAL H H 111 7.907 7.907 7.906 0.001 18976 15326 1 18 . 1 1 112 112 MET N N 112 116.794 116.794 117.351 -0.557 18976 15327 1 18 . 1 1 112 112 MET HA H 112 4.396 4.396 4.419 -0.023 18976 15328 1 18 . 1 1 112 112 MET C C 112 178.890 178.890 178.374 0.516 18976 15329 1 18 . 1 1 112 112 MET CA C 112 56.719 56.719 55.969 0.750 18976 15330 1 18 . 1 1 112 112 MET CB C 112 30.384 30.384 31.053 -0.669 18976 15331 1 18 . 1 1 112 112 MET H H 112 8.355 8.355 7.866 0.489 18976 15332 1 18 . 1 1 113 113 THR N N 113 117.282 117.282 114.493 2.789 18976 15333 1 18 . 1 1 113 113 THR HA H 113 4.187 4.187 4.053 0.134 18976 15334 1 18 . 1 1 113 113 THR C C 113 178.112 178.112 176.361 1.751 18976 15335 1 18 . 1 1 113 113 THR CA C 113 65.902 65.902 65.992 -0.090 18976 15336 1 18 . 1 1 113 113 THR CB C 113 68.642 68.642 68.686 -0.044 18976 15337 1 18 . 1 1 113 113 THR H H 113 8.314 8.314 7.724 0.590 18976 15338 1 18 . 1 1 114 114 ASN N N 114 122.220 122.220 118.052 4.168 18976 15339 1 18 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.650 -0.058 18976 15340 1 18 . 1 1 114 114 ASN C C 114 176.644 176.644 176.714 -0.070 18976 15341 1 18 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.694 0.460 18976 15342 1 18 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.426 -0.830 18976 15343 1 18 . 1 1 114 114 ASN H H 114 8.483 8.483 7.762 0.721 18976 15344 1 18 . 1 1 115 115 ARG N N 115 117.970 117.970 118.156 -0.186 18976 15345 1 18 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.307 0.122 18976 15346 1 18 . 1 1 115 115 ARG C C 115 176.366 176.366 177.226 -0.860 18976 15347 1 18 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.931 -0.532 18976 15348 1 18 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.642 -0.142 18976 15349 1 18 . 1 1 115 115 ARG H H 115 7.776 7.776 7.865 -0.089 18976 15350 1 18 . 1 1 116 116 GLY N N 116 107.547 107.547 106.699 0.848 18976 15351 1 18 . 1 1 116 116 GLY C C 116 174.384 174.384 174.844 -0.460 18976 15352 1 18 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.553 -0.346 18976 15353 1 18 . 1 1 116 116 GLY H H 116 7.968 7.968 7.910 0.058 18976 15354 1 18 . 1 1 117 117 GLU N N 117 119.975 119.975 119.507 0.468 18976 15355 1 18 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.383 0.023 18976 15356 1 18 . 1 1 117 117 GLU C C 117 175.558 175.558 175.525 0.033 18976 15357 1 18 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.407 0.770 18976 15358 1 18 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.894 0.506 18976 15359 1 18 . 1 1 117 117 GLU H H 117 7.934 7.934 8.020 -0.086 18976 15360 1 18 . 1 1 118 118 LYS N N 118 124.035 124.035 120.813 3.222 18976 15361 1 18 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.144 0.260 18976 15362 1 18 . 1 1 118 118 LYS C C 118 175.441 175.441 176.065 -0.624 18976 15363 1 18 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.886 -1.619 18976 15364 1 18 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.551 -0.701 18976 15365 1 18 . 1 1 118 118 LYS H H 118 8.626 8.626 7.969 0.657 18976 15366 1 18 . 1 1 119 119 LEU N N 119 124.745 124.745 126.359 -1.614 18976 15367 1 18 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.765 0.005 18976 15368 1 18 . 1 1 119 119 LEU C C 119 178.127 178.127 176.912 1.215 18976 15369 1 18 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.019 0.820 18976 15370 1 18 . 1 1 119 119 LEU CB C 119 44.323 44.323 43.105 1.218 18976 15371 1 18 . 1 1 119 119 LEU H H 119 8.140 8.140 8.113 0.027 18976 15372 1 18 . 1 1 120 120 THR N N 120 114.555 114.555 109.928 4.627 18976 15373 1 18 . 1 1 120 120 THR HA H 120 4.477 4.477 4.255 0.222 18976 15374 1 18 . 1 1 120 120 THR C C 120 175.514 175.514 175.124 0.390 18976 15375 1 18 . 1 1 120 120 THR CA C 120 60.613 60.613 61.258 -0.645 18976 15376 1 18 . 1 1 120 120 THR CB C 120 70.902 70.902 69.977 0.925 18976 15377 1 18 . 1 1 120 120 THR H H 120 9.220 9.220 7.931 1.289 18976 15378 1 18 . 1 1 121 121 ASP N N 121 121.128 121.128 120.729 0.399 18976 15379 1 18 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.324 -0.096 18976 15380 1 18 . 1 1 121 121 ASP C C 121 178.655 178.655 177.766 0.889 18976 15381 1 18 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.180 0.572 18976 15382 1 18 . 1 1 121 121 ASP CB C 121 39.315 39.315 41.003 -1.688 18976 15383 1 18 . 1 1 121 121 ASP H H 121 8.921 8.921 8.754 0.167 18976 15384 1 18 . 1 1 122 122 GLU N N 122 119.266 119.266 118.813 0.453 18976 15385 1 18 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.148 -0.029 18976 15386 1 18 . 1 1 122 122 GLU C C 122 179.184 179.184 178.484 0.700 18976 15387 1 18 . 1 1 122 122 GLU CA C 122 59.772 59.772 58.904 0.869 18976 15388 1 18 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.764 -0.898 18976 15389 1 18 . 1 1 122 122 GLU H H 122 8.712 8.712 7.879 0.833 18976 15390 1 18 . 1 1 123 123 GLU N N 123 120.455 120.455 118.704 1.751 18976 15391 1 18 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.129 -0.106 18976 15392 1 18 . 1 1 123 123 GLU C C 123 180.123 180.123 179.449 0.674 18976 15393 1 18 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.690 0.400 18976 15394 1 18 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.465 0.748 18976 15395 1 18 . 1 1 123 123 GLU H H 123 7.763 7.763 8.084 -0.321 18976 15396 1 18 . 1 1 124 124 VAL N N 124 121.726 121.726 114.659 7.067 18976 15397 1 18 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.824 -0.217 18976 15398 1 18 . 1 1 124 124 VAL C C 124 177.337 177.337 177.498 -0.161 18976 15399 1 18 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.622 1.110 18976 15400 1 18 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.353 -0.311 18976 15401 1 18 . 1 1 124 124 VAL H H 124 8.119 8.119 7.737 0.382 18976 15402 1 18 . 1 1 125 125 ASP N N 125 119.880 119.880 120.655 -0.775 18976 15403 1 18 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.408 -0.057 18976 15404 1 18 . 1 1 125 125 ASP C C 125 179.323 179.323 178.144 1.179 18976 15405 1 18 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.333 0.042 18976 15406 1 18 . 1 1 125 125 ASP CB C 125 40.112 40.112 41.113 -1.001 18976 15407 1 18 . 1 1 125 125 ASP H H 125 8.051 8.051 7.806 0.245 18976 15408 1 18 . 1 1 126 126 GLU N N 126 119.798 119.798 120.218 -0.420 18976 15409 1 18 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.100 -0.079 18976 15410 1 18 . 1 1 126 126 GLU C C 126 177.966 177.966 178.889 -0.923 18976 15411 1 18 . 1 1 126 126 GLU CA C 126 58.973 58.973 58.998 -0.025 18976 15412 1 18 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.325 -0.241 18976 15413 1 18 . 1 1 126 126 GLU H H 126 8.047 8.047 7.840 0.207 18976 15414 1 18 . 1 1 127 127 MET N N 127 119.443 119.443 117.471 1.972 18976 15415 1 18 . 1 1 127 127 MET HA H 127 4.137 4.137 4.250 -0.113 18976 15416 1 18 . 1 1 127 127 MET C C 127 179.859 179.859 178.914 0.945 18976 15417 1 18 . 1 1 127 127 MET CA C 127 59.137 59.137 57.510 1.627 18976 15418 1 18 . 1 1 127 127 MET CB C 127 32.239 32.239 31.841 0.398 18976 15419 1 18 . 1 1 127 127 MET H H 127 7.795 7.795 7.565 0.230 18976 15420 1 18 . 1 1 128 128 ILE N N 128 120.667 120.667 119.967 0.700 18976 15421 1 18 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.721 -0.200 18976 15422 1 18 . 1 1 128 128 ILE C C 128 177.657 177.657 177.903 -0.246 18976 15423 1 18 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.681 -0.870 18976 15424 1 18 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.544 -1.556 18976 15425 1 18 . 1 1 128 128 ILE H H 128 8.158 8.158 7.421 0.737 18976 15426 1 18 . 1 1 129 129 ARG N N 129 119.725 119.725 118.214 1.511 18976 15427 1 18 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.448 -0.379 18976 15428 1 18 . 1 1 129 129 ARG C C 129 178.920 178.920 178.780 0.140 18976 15429 1 18 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.534 1.081 18976 15430 1 18 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.036 -0.154 18976 15431 1 18 . 1 1 129 129 ARG H H 129 8.270 8.270 7.922 0.348 18976 15432 1 18 . 1 1 130 130 GLU N N 130 115.236 115.236 118.009 -2.773 18976 15433 1 18 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.157 -0.063 18976 15434 1 18 . 1 1 130 130 GLU C C 130 177.349 177.349 177.520 -0.171 18976 15435 1 18 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.809 -0.909 18976 15436 1 18 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.439 0.384 18976 15437 1 18 . 1 1 130 130 GLU H H 130 7.953 7.953 7.882 0.071 18976 15438 1 18 . 1 1 131 131 THR N N 131 112.585 112.585 111.219 1.366 18976 15439 1 18 . 1 1 131 131 THR HA H 131 4.239 4.239 4.381 -0.142 18976 15440 1 18 . 1 1 131 131 THR C C 131 174.149 174.149 173.613 0.536 18976 15441 1 18 . 1 1 131 131 THR CA C 131 62.887 62.887 61.773 1.114 18976 15442 1 18 . 1 1 131 131 THR CB C 131 69.337 69.337 69.672 -0.335 18976 15443 1 18 . 1 1 131 131 THR H H 131 7.465 7.465 7.502 -0.037 18976 15444 1 18 . 1 1 132 132 ASP N N 132 121.237 121.237 120.424 0.813 18976 15445 1 18 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.838 -0.360 18976 15446 1 18 . 1 1 132 132 ASP C C 132 175.777 175.777 175.549 0.228 18976 15447 1 18 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.834 1.120 18976 15448 1 18 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.682 -2.243 18976 15449 1 18 . 1 1 132 132 ASP H H 132 8.070 8.070 7.932 0.138 18976 15450 1 18 . 1 1 133 133 ILE N N 133 127.244 127.244 125.531 1.713 18976 15451 1 18 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.069 -0.093 18976 15452 1 18 . 1 1 133 133 ILE C C 133 177.628 177.628 176.751 0.877 18976 15453 1 18 . 1 1 133 133 ILE CA C 133 62.866 62.866 63.358 -0.492 18976 15454 1 18 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.447 0.031 18976 15455 1 18 . 1 1 133 133 ILE H H 133 8.345 8.345 8.421 -0.076 18976 15456 1 18 . 1 1 134 134 ASP N N 134 116.893 116.893 118.397 -1.504 18976 15457 1 18 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.489 0.044 18976 15458 1 18 . 1 1 134 134 ASP C C 134 178.259 178.259 177.176 1.083 18976 15459 1 18 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.965 -0.422 18976 15460 1 18 . 1 1 134 134 ASP CB C 134 39.838 39.838 39.701 0.137 18976 15461 1 18 . 1 1 134 134 ASP H H 134 8.297 8.297 8.275 0.022 18976 15462 1 18 . 1 1 135 135 GLY N N 135 108.287 108.287 108.614 -0.327 18976 15463 1 18 . 1 1 135 135 GLY C C 135 175.250 175.250 175.542 -0.292 18976 15464 1 18 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.303 0.794 18976 15465 1 18 . 1 1 135 135 GLY H H 135 7.623 7.623 7.907 -0.284 18976 15466 1 18 . 1 1 136 136 ASP N N 136 120.541 120.541 119.235 1.306 18976 15467 1 18 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.500 -0.020 18976 15468 1 18 . 1 1 136 136 ASP C C 136 177.584 177.584 177.426 0.158 18976 15469 1 18 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.464 -0.089 18976 15470 1 18 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.543 -0.650 18976 15471 1 18 . 1 1 136 136 ASP H H 136 8.290 8.290 8.022 0.268 18976 15472 1 18 . 1 1 137 137 GLY N N 137 112.490 112.490 107.931 4.559 18976 15473 1 18 . 1 1 137 137 GLY C C 137 172.828 172.828 173.546 -0.718 18976 15474 1 18 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.391 0.079 18976 15475 1 18 . 1 1 137 137 GLY H H 137 10.224 10.224 8.153 2.071 18976 15476 1 18 . 1 1 138 138 GLN N N 138 115.266 115.266 118.069 -2.803 18976 15477 1 18 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.204 -0.335 18976 15478 1 18 . 1 1 138 138 GLN C C 138 174.677 174.677 174.735 -0.058 18976 15479 1 18 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.334 -1.548 18976 15480 1 18 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.083 -1.340 18976 15481 1 18 . 1 1 138 138 GLN H H 138 7.992 7.992 8.165 -0.173 18976 15482 1 18 . 1 1 139 139 VAL N N 139 125.667 125.667 124.338 1.329 18976 15483 1 18 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.579 0.533 18976 15484 1 18 . 1 1 139 139 VAL C C 139 175.763 175.763 175.605 0.158 18976 15485 1 18 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.032 0.647 18976 15486 1 18 . 1 1 139 139 VAL CB C 139 33.532 33.532 33.264 0.268 18976 15487 1 18 . 1 1 139 139 VAL H H 139 9.227 9.227 8.358 0.869 18976 15488 1 18 . 1 1 140 140 ASN N N 140 128.431 128.431 125.473 2.958 18976 15489 1 18 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.331 -0.057 18976 15490 1 18 . 1 1 140 140 ASN C C 140 175.079 175.079 176.492 -1.413 18976 15491 1 18 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.788 -1.121 18976 15492 1 18 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.029 -2.802 18976 15493 1 18 . 1 1 140 140 ASN H H 140 9.360 9.360 8.291 1.069 18976 15494 1 18 . 1 1 141 141 TYR N N 141 119.146 119.146 121.976 -2.830 18976 15495 1 18 . 1 1 141 141 TYR HA H 141 3.386 3.386 4.049 -0.663 18976 15496 1 18 . 1 1 141 141 TYR C C 141 176.092 176.092 177.256 -1.164 18976 15497 1 18 . 1 1 141 141 TYR CA C 141 62.058 62.058 61.996 0.062 18976 15498 1 18 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.334 -0.975 18976 15499 1 18 . 1 1 141 141 TYR H H 141 8.451 8.451 8.918 -0.467 18976 15500 1 18 . 1 1 142 142 GLU N N 142 118.431 118.431 119.095 -0.664 18976 15501 1 18 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.911 -0.229 18976 15502 1 18 . 1 1 142 142 GLU C C 142 180.226 180.226 177.958 2.268 18976 15503 1 18 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.484 0.599 18976 15504 1 18 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.544 0.001 18976 15505 1 18 . 1 1 142 142 GLU H H 142 8.097 8.097 8.785 -0.688 18976 15506 1 18 . 1 1 143 143 GLU N N 143 120.068 120.068 117.953 2.115 18976 15507 1 18 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.216 -0.226 18976 15508 1 18 . 1 1 143 143 GLU C C 143 179.060 179.060 178.839 0.221 18976 15509 1 18 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.756 -0.182 18976 15510 1 18 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.596 -0.415 18976 15511 1 18 . 1 1 143 143 GLU H H 143 8.667 8.667 8.338 0.329 18976 15512 1 18 . 1 1 144 144 PHE N N 144 123.392 123.392 122.098 1.294 18976 15513 1 18 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.326 -0.359 18976 15514 1 18 . 1 1 144 144 PHE C C 144 176.982 176.982 177.609 -0.627 18976 15515 1 18 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.100 0.346 18976 15516 1 18 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.472 0.223 18976 15517 1 18 . 1 1 144 144 PHE H H 144 8.731 8.731 8.622 0.109 18976 15518 1 18 . 1 1 145 145 VAL N N 145 119.201 119.201 118.214 0.987 18976 15519 1 18 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.275 -0.082 18976 15520 1 18 . 1 1 145 145 VAL C C 145 179.228 179.228 177.343 1.885 18976 15521 1 18 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.852 0.810 18976 15522 1 18 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.108 0.176 18976 15523 1 18 . 1 1 145 145 VAL H H 145 8.671 8.671 7.437 1.234 18976 15524 1 18 . 1 1 146 146 GLN N N 146 119.252 119.252 119.379 -0.127 18976 15525 1 18 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.889 0.027 18976 15526 1 18 . 1 1 146 146 GLN C C 146 177.825 177.825 178.012 -0.187 18976 15527 1 18 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.335 -0.768 18976 15528 1 18 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.430 -0.610 18976 15529 1 18 . 1 1 146 146 GLN H H 146 7.767 7.767 7.885 -0.118 18976 15530 1 18 . 1 1 147 147 ARG N N 147 118.529 118.529 118.780 -0.251 18976 15531 1 18 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.047 0.125 18976 15532 1 18 . 1 1 147 147 ARG C C 147 178.112 178.112 177.813 0.299 18976 15533 1 18 . 1 1 147 147 ARG CA C 147 57.509 57.509 57.745 -0.236 18976 15534 1 18 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.442 0.672 18976 15535 1 18 . 1 1 147 147 ARG H H 147 7.628 7.628 7.515 0.113 18976 15536 1 18 . 1 1 148 148 MET N N 148 115.755 115.755 116.100 -0.345 18976 15537 1 18 . 1 1 148 148 MET HA H 148 4.304 4.304 4.183 0.121 18976 15538 1 18 . 1 1 148 148 MET C C 148 177.628 177.628 177.777 -0.149 18976 15539 1 18 . 1 1 148 148 MET CA C 148 55.489 55.489 57.397 -1.908 18976 15540 1 18 . 1 1 148 148 MET CB C 148 31.773 31.773 32.277 -0.504 18976 15541 1 18 . 1 1 148 148 MET H H 148 8.003 8.003 7.444 0.559 18976 15542 1 18 . 1 1 149 149 THR N N 149 110.062 110.062 112.968 -2.906 18976 15543 1 18 . 1 1 149 149 THR HA H 149 4.349 4.349 4.171 0.178 18976 15544 1 18 . 1 1 149 149 THR C C 149 174.149 174.149 175.903 -1.754 18976 15545 1 18 . 1 1 149 149 THR CA C 149 61.775 61.775 65.052 -3.277 18976 15546 1 18 . 1 1 149 149 THR CB C 149 69.780 69.780 69.174 0.606 18976 15547 1 18 . 1 1 149 149 THR H H 149 7.682 7.682 7.791 -0.109 18976 15548 1 18 . 1 1 150 150 ALA N N 150 126.503 126.503 125.820 0.683 18976 15549 1 18 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.311 0.019 18976 15550 1 18 . 1 1 150 150 ALA CA C 150 52.535 52.535 51.252 1.283 18976 15551 1 18 . 1 1 150 150 ALA CB C 150 18.734 18.734 17.559 1.175 18976 15552 1 18 . 1 1 150 150 ALA H H 150 7.651 7.651 7.645 0.006 18976 15553 1 19 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.302 0.119 18976 15554 1 19 . 1 1 2 2 LEU C C 2 177.129 177.129 177.446 -0.317 18976 15555 1 19 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.008 0.114 18976 15556 1 19 . 1 1 2 2 LEU CB C 2 42.453 42.453 42.254 0.199 18976 15557 1 19 . 1 1 2 2 LEU H H 2 8.641 8.641 8.421 0.220 18976 15558 1 19 . 1 1 3 3 MET N N 3 120.143 120.143 115.099 5.044 18976 15559 1 19 . 1 1 3 3 MET HA H 3 4.451 4.451 3.934 0.517 18976 15560 1 19 . 1 1 3 3 MET C C 3 176.835 176.835 177.728 -0.893 18976 15561 1 19 . 1 1 3 3 MET CA C 3 55.160 55.160 57.460 -2.300 18976 15562 1 19 . 1 1 3 3 MET CB C 3 32.584 32.584 30.495 2.089 18976 15563 1 19 . 1 1 3 3 MET H H 3 8.396 8.396 8.116 0.280 18976 15564 1 19 . 1 1 4 4 ALA N N 4 123.344 123.344 122.323 1.021 18976 15565 1 19 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.068 -0.008 18976 15566 1 19 . 1 1 4 4 ALA C C 4 177.922 177.922 177.402 0.520 18976 15567 1 19 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.113 -0.563 18976 15568 1 19 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.535 0.021 18976 15569 1 19 . 1 1 4 4 ALA H H 4 8.396 8.396 8.078 0.318 18976 15570 1 19 . 1 1 5 5 ASP N N 5 116.052 116.052 115.524 0.528 18976 15571 1 19 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.537 -0.028 18976 15572 1 19 . 1 1 5 5 ASP C C 5 176.366 176.366 177.994 -1.628 18976 15573 1 19 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.552 -0.929 18976 15574 1 19 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.242 -0.979 18976 15575 1 19 . 1 1 5 5 ASP H H 5 8.114 8.114 7.446 0.668 18976 15576 1 19 . 1 1 6 6 GLN N N 6 117.717 117.717 118.224 -0.507 18976 15577 1 19 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.220 0.157 18976 15578 1 19 . 1 1 6 6 GLN C C 6 175.842 175.842 176.775 -0.933 18976 15579 1 19 . 1 1 6 6 GLN CA C 6 55.311 55.311 56.806 -1.495 18976 15580 1 19 . 1 1 6 6 GLN CB C 6 29.590 29.590 29.181 0.409 18976 15581 1 19 . 1 1 6 6 GLN H H 6 7.935 7.935 7.832 0.103 18976 15582 1 19 . 1 1 7 7 LEU N N 7 121.086 121.086 116.787 4.299 18976 15583 1 19 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.914 -0.238 18976 15584 1 19 . 1 1 7 7 LEU C C 7 177.496 177.496 176.310 1.186 18976 15585 1 19 . 1 1 7 7 LEU CA C 7 54.065 54.065 53.737 0.328 18976 15586 1 19 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.606 0.662 18976 15587 1 19 . 1 1 7 7 LEU H H 7 7.713 7.713 7.528 0.185 18976 15588 1 19 . 1 1 8 8 THR N N 8 112.688 112.688 111.908 0.780 18976 15589 1 19 . 1 1 8 8 THR HA H 8 4.475 4.475 4.628 -0.153 18976 15590 1 19 . 1 1 8 8 THR C C 8 175.511 175.511 175.408 0.103 18976 15591 1 19 . 1 1 8 8 THR CA C 8 60.256 60.256 59.086 1.170 18976 15592 1 19 . 1 1 8 8 THR CB C 8 71.019 71.019 70.669 0.350 18976 15593 1 19 . 1 1 8 8 THR H H 8 8.800 8.800 8.044 0.756 18976 15594 1 19 . 1 1 9 9 GLU N N 9 120.380 120.380 121.072 -0.692 18976 15595 1 19 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.130 -0.150 18976 15596 1 19 . 1 1 9 9 GLU C C 9 179.492 179.492 178.511 0.981 18976 15597 1 19 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.448 0.478 18976 15598 1 19 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.610 -0.685 18976 15599 1 19 . 1 1 9 9 GLU H H 9 9.040 9.040 8.833 0.207 18976 15600 1 19 . 1 1 10 10 GLU N N 10 119.361 119.361 118.946 0.415 18976 15601 1 19 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.161 -0.087 18976 15602 1 19 . 1 1 10 10 GLU C C 10 179.185 179.185 179.243 -0.058 18976 15603 1 19 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.357 0.410 18976 15604 1 19 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.885 -0.089 18976 15605 1 19 . 1 1 10 10 GLU H H 10 8.729 8.729 8.760 -0.031 18976 15606 1 19 . 1 1 11 11 GLN N N 11 120.302 120.302 118.828 1.474 18976 15607 1 19 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.537 -0.669 18976 15608 1 19 . 1 1 11 11 GLN C C 11 178.318 178.318 178.978 -0.660 18976 15609 1 19 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.322 0.062 18976 15610 1 19 . 1 1 11 11 GLN CB C 11 28.885 28.885 28.925 -0.040 18976 15611 1 19 . 1 1 11 11 GLN H H 11 7.747 7.747 7.725 0.022 18976 15612 1 19 . 1 1 12 12 ILE N N 12 119.533 119.533 120.591 -1.058 18976 15613 1 19 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.948 -0.230 18976 15614 1 19 . 1 1 12 12 ILE C C 12 177.731 177.731 177.770 -0.039 18976 15615 1 19 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.101 0.858 18976 15616 1 19 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.750 -0.239 18976 15617 1 19 . 1 1 12 12 ILE H H 12 8.456 8.456 8.236 0.220 18976 15618 1 19 . 1 1 13 13 ALA N N 13 121.161 121.161 123.153 -1.992 18976 15619 1 19 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.049 0.090 18976 15620 1 19 . 1 1 13 13 ALA C C 13 181.019 181.019 179.136 1.883 18976 15621 1 19 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.602 -0.479 18976 15622 1 19 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.185 -0.681 18976 15623 1 19 . 1 1 13 13 ALA H H 13 8.018 8.018 7.971 0.047 18976 15624 1 19 . 1 1 14 14 GLU N N 14 119.619 119.619 118.740 0.879 18976 15625 1 19 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.039 0.125 18976 15626 1 19 . 1 1 14 14 GLU C C 14 180.534 180.534 179.195 1.339 18976 15627 1 19 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.806 0.318 18976 15628 1 19 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.162 -0.309 18976 15629 1 19 . 1 1 14 14 GLU H H 14 7.792 7.792 7.840 -0.048 18976 15630 1 19 . 1 1 15 15 PHE N N 15 120.089 120.089 120.898 -0.809 18976 15631 1 19 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.509 0.555 18976 15632 1 19 . 1 1 15 15 PHE C C 15 178.700 178.700 177.819 0.881 18976 15633 1 19 . 1 1 15 15 PHE CA C 15 58.857 58.857 61.552 -2.695 18976 15634 1 19 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.396 -1.920 18976 15635 1 19 . 1 1 15 15 PHE H H 15 8.587 8.587 8.361 0.226 18976 15636 1 19 . 1 1 16 16 LYS N N 16 123.715 123.715 120.130 3.585 18976 15637 1 19 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.414 -0.369 18976 15638 1 19 . 1 1 16 16 LYS C C 16 179.327 179.327 179.171 0.156 18976 15639 1 19 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.730 0.140 18976 15640 1 19 . 1 1 16 16 LYS CB C 16 31.573 31.573 32.104 -0.531 18976 15641 1 19 . 1 1 16 16 LYS H H 16 9.256 9.256 8.567 0.689 18976 15642 1 19 . 1 1 17 17 GLU N N 17 120.262 120.262 120.427 -0.165 18976 15643 1 19 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.150 0.006 18976 15644 1 19 . 1 1 17 17 GLU C C 17 179.456 179.456 178.861 0.595 18976 15645 1 19 . 1 1 17 17 GLU CA C 17 59.007 59.007 59.242 -0.235 18976 15646 1 19 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.201 -0.392 18976 15647 1 19 . 1 1 17 17 GLU H H 17 7.774 7.774 8.130 -0.356 18976 15648 1 19 . 1 1 18 18 ALA N N 18 122.590 122.590 122.436 0.154 18976 15649 1 19 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.293 0.022 18976 15650 1 19 . 1 1 18 18 ALA C C 18 179.060 179.060 180.218 -1.158 18976 15651 1 19 . 1 1 18 18 ALA CA C 18 54.829 54.829 55.051 -0.222 18976 15652 1 19 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.504 -0.706 18976 15653 1 19 . 1 1 18 18 ALA H H 18 8.001 8.001 7.934 0.067 18976 15654 1 19 . 1 1 19 19 PHE N N 19 119.363 119.363 119.292 0.071 18976 15655 1 19 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.902 -0.668 18976 15656 1 19 . 1 1 19 19 PHE C C 19 177.290 177.290 177.286 0.004 18976 15657 1 19 . 1 1 19 19 PHE CA C 19 61.757 61.757 58.197 3.561 18976 15658 1 19 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.328 0.810 18976 15659 1 19 . 1 1 19 19 PHE H H 19 8.859 8.859 8.536 0.323 18976 15660 1 19 . 1 1 20 20 SER N N 20 112.556 112.556 115.842 -3.286 18976 15661 1 19 . 1 1 20 20 SER HA H 20 4.142 4.142 4.130 0.012 18976 15662 1 19 . 1 1 20 20 SER C C 20 174.955 174.955 176.293 -1.338 18976 15663 1 19 . 1 1 20 20 SER CA C 20 61.007 61.007 61.640 -0.633 18976 15664 1 19 . 1 1 20 20 SER CB C 20 62.960 62.960 63.354 -0.394 18976 15665 1 19 . 1 1 20 20 SER H H 20 7.934 7.934 7.897 0.037 18976 15666 1 19 . 1 1 21 21 LEU N N 21 120.816 120.816 121.489 -0.673 18976 15667 1 19 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.100 -0.084 18976 15668 1 19 . 1 1 21 21 LEU C C 21 178.010 178.010 178.226 -0.216 18976 15669 1 19 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.444 -0.649 18976 15670 1 19 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.208 -1.076 18976 15671 1 19 . 1 1 21 21 LEU H H 21 7.434 7.434 7.813 -0.379 18976 15672 1 19 . 1 1 22 22 PHE N N 22 115.049 115.049 116.583 -1.534 18976 15673 1 19 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.370 -0.126 18976 15674 1 19 . 1 1 22 22 PHE C C 22 176.762 176.762 176.290 0.472 18976 15675 1 19 . 1 1 22 22 PHE CA C 22 59.020 59.020 60.290 -1.270 18976 15676 1 19 . 1 1 22 22 PHE CB C 22 40.730 40.730 40.223 0.507 18976 15677 1 19 . 1 1 22 22 PHE H H 22 7.326 7.326 7.802 -0.476 18976 15678 1 19 . 1 1 23 23 ASP N N 23 117.496 117.496 119.257 -1.761 18976 15679 1 19 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.985 -0.434 18976 15680 1 19 . 1 1 23 23 ASP C C 23 177.167 177.167 176.665 0.502 18976 15681 1 19 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.560 -1.519 18976 15682 1 19 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.514 -1.916 18976 15683 1 19 . 1 1 23 23 ASP H H 23 7.851 7.851 8.295 -0.444 18976 15684 1 19 . 1 1 24 24 LYS N N 24 124.470 124.470 124.762 -0.292 18976 15685 1 19 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.008 -0.024 18976 15686 1 19 . 1 1 24 24 LYS C C 24 178.127 178.127 177.994 0.133 18976 15687 1 19 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.367 -0.209 18976 15688 1 19 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.202 0.181 18976 15689 1 19 . 1 1 24 24 LYS H H 24 7.687 7.687 8.044 -0.357 18976 15690 1 19 . 1 1 25 25 ASP N N 25 113.822 113.822 114.581 -0.759 18976 15691 1 19 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.497 0.109 18976 15692 1 19 . 1 1 25 25 ASP C C 25 177.687 177.687 177.408 0.279 18976 15693 1 19 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.065 -1.606 18976 15694 1 19 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.218 -1.027 18976 15695 1 19 . 1 1 25 25 ASP H H 25 8.067 8.067 8.047 0.020 18976 15696 1 19 . 1 1 26 26 GLY N N 26 109.208 109.208 108.531 0.677 18976 15697 1 19 . 1 1 26 26 GLY C C 26 175.132 175.132 175.292 -0.160 18976 15698 1 19 . 1 1 26 26 GLY CA C 26 46.874 46.874 46.041 0.833 18976 15699 1 19 . 1 1 26 26 GLY H H 26 7.698 7.698 7.645 0.053 18976 15700 1 19 . 1 1 27 27 ASP N N 27 120.603 120.603 120.281 0.322 18976 15701 1 19 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.533 -0.010 18976 15702 1 19 . 1 1 27 27 ASP C C 27 177.452 177.452 177.766 -0.314 18976 15703 1 19 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.581 -0.088 18976 15704 1 19 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.142 -0.894 18976 15705 1 19 . 1 1 27 27 ASP H H 27 8.397 8.397 8.443 -0.046 18976 15706 1 19 . 1 1 28 28 GLY N N 28 113.187 113.187 109.044 4.143 18976 15707 1 19 . 1 1 28 28 GLY C C 28 173.679 173.679 173.415 0.264 18976 15708 1 19 . 1 1 28 28 GLY CA C 28 45.181 45.181 44.946 0.235 18976 15709 1 19 . 1 1 28 28 GLY H H 28 10.648 10.648 8.390 2.258 18976 15710 1 19 . 1 1 29 29 THR N N 29 112.865 112.865 110.714 2.151 18976 15711 1 19 . 1 1 29 29 THR HA H 29 5.310 5.310 5.272 0.038 18976 15712 1 19 . 1 1 29 29 THR C C 29 172.872 172.872 173.378 -0.506 18976 15713 1 19 . 1 1 29 29 THR CA C 29 59.764 59.764 61.003 -1.239 18976 15714 1 19 . 1 1 29 29 THR CB C 29 72.319 72.319 71.654 0.665 18976 15715 1 19 . 1 1 29 29 THR H H 29 8.144 8.144 8.413 -0.269 18976 15716 1 19 . 1 1 30 30 ILE N N 30 127.035 127.035 127.793 -0.758 18976 15717 1 19 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.734 0.246 18976 15718 1 19 . 1 1 30 30 ILE C C 30 176.072 176.072 176.430 -0.358 18976 15719 1 19 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.670 -0.526 18976 15720 1 19 . 1 1 30 30 ILE CB C 30 39.302 39.302 38.266 1.036 18976 15721 1 19 . 1 1 30 30 ILE H H 30 9.821 9.821 9.044 0.777 18976 15722 1 19 . 1 1 31 31 THR N N 31 116.509 116.509 119.772 -3.263 18976 15723 1 19 . 1 1 31 31 THR HA H 31 4.800 4.800 4.663 0.137 18976 15724 1 19 . 1 1 31 31 THR C C 31 176.542 176.542 176.680 -0.138 18976 15725 1 19 . 1 1 31 31 THR CA C 31 59.396 59.396 60.779 -1.383 18976 15726 1 19 . 1 1 31 31 THR CB C 31 72.162 72.162 70.333 1.829 18976 15727 1 19 . 1 1 31 31 THR H H 31 8.469 8.469 8.795 -0.326 18976 15728 1 19 . 1 1 32 32 THR N N 32 112.790 112.790 114.007 -1.217 18976 15729 1 19 . 1 1 32 32 THR HA H 32 3.803 3.803 3.878 -0.075 18976 15730 1 19 . 1 1 32 32 THR C C 32 177.188 177.188 176.566 0.622 18976 15731 1 19 . 1 1 32 32 THR CA C 32 66.253 66.253 66.698 -0.445 18976 15732 1 19 . 1 1 32 32 THR CB C 32 67.459 67.459 68.326 -0.867 18976 15733 1 19 . 1 1 32 32 THR H H 32 9.128 9.128 8.963 0.165 18976 15734 1 19 . 1 1 33 33 LYS N N 33 120.844 120.844 122.735 -1.891 18976 15735 1 19 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.018 0.130 18976 15736 1 19 . 1 1 33 33 LYS C C 33 179.880 179.880 178.671 1.209 18976 15737 1 19 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.609 -0.670 18976 15738 1 19 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.070 0.165 18976 15739 1 19 . 1 1 33 33 LYS H H 33 7.695 7.695 8.361 -0.666 18976 15740 1 19 . 1 1 34 34 GLU N N 34 121.463 121.463 119.253 2.210 18976 15741 1 19 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.102 -0.034 18976 15742 1 19 . 1 1 34 34 GLU C C 34 179.140 179.140 179.195 -0.055 18976 15743 1 19 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.222 -0.083 18976 15744 1 19 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.769 -0.224 18976 15745 1 19 . 1 1 34 34 GLU H H 34 7.687 7.687 7.627 0.060 18976 15746 1 19 . 1 1 35 35 LEU N N 35 120.583 120.583 120.603 -0.020 18976 15747 1 19 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.372 -0.249 18976 15748 1 19 . 1 1 35 35 LEU C C 35 178.934 178.934 178.856 0.078 18976 15749 1 19 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.761 0.066 18976 15750 1 19 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.751 0.629 18976 15751 1 19 . 1 1 35 35 LEU H H 35 8.745 8.745 8.516 0.229 18976 15752 1 19 . 1 1 36 36 GLY N N 36 128.127 128.127 105.621 22.506 18976 15753 1 19 . 1 1 36 36 GLY C C 36 175.177 175.177 175.815 -0.638 18976 15754 1 19 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.295 0.708 18976 15755 1 19 . 1 1 36 36 GLY H H 36 8.670 8.670 7.962 0.708 18976 15756 1 19 . 1 1 37 37 THR N N 37 117.925 117.925 119.618 -1.693 18976 15757 1 19 . 1 1 37 37 THR HA H 37 3.938 3.938 3.955 -0.017 18976 15758 1 19 . 1 1 37 37 THR C C 37 177.137 177.137 176.767 0.370 18976 15759 1 19 . 1 1 37 37 THR CA C 37 66.648 66.648 67.262 -0.614 18976 15760 1 19 . 1 1 37 37 THR CB C 37 68.383 68.383 68.848 -0.465 18976 15761 1 19 . 1 1 37 37 THR H H 37 7.930 7.930 7.798 0.132 18976 15762 1 19 . 1 1 38 38 VAL N N 38 122.046 122.046 121.944 0.102 18976 15763 1 19 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.597 -0.074 18976 15764 1 19 . 1 1 38 38 VAL C C 38 179.243 179.243 177.682 1.561 18976 15765 1 19 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.669 0.293 18976 15766 1 19 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.231 -0.161 18976 15767 1 19 . 1 1 38 38 VAL H H 38 7.643 7.643 8.045 -0.402 18976 15768 1 19 . 1 1 39 39 MET N N 39 118.442 118.442 116.763 1.679 18976 15769 1 19 . 1 1 39 39 MET HA H 39 4.133 4.133 4.246 -0.113 18976 15770 1 19 . 1 1 39 39 MET C C 39 179.125 179.125 178.346 0.779 18976 15771 1 19 . 1 1 39 39 MET CA C 39 58.886 58.886 56.112 2.774 18976 15772 1 19 . 1 1 39 39 MET CB C 39 31.211 31.211 31.220 -0.009 18976 15773 1 19 . 1 1 39 39 MET H H 39 8.497 8.497 7.272 1.225 18976 15774 1 19 . 1 1 40 40 ARG N N 40 118.929 118.929 118.448 0.481 18976 15775 1 19 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.481 0.352 18976 15776 1 19 . 1 1 40 40 ARG C C 40 181.224 181.224 178.608 2.616 18976 15777 1 19 . 1 1 40 40 ARG CA C 40 58.886 58.886 57.270 1.616 18976 15778 1 19 . 1 1 40 40 ARG CB C 40 28.835 28.835 29.398 -0.563 18976 15779 1 19 . 1 1 40 40 ARG H H 40 8.536 8.536 8.009 0.527 18976 15780 1 19 . 1 1 41 41 SER N N 41 118.832 118.832 115.738 3.094 18976 15781 1 19 . 1 1 41 41 SER HA H 41 4.425 4.425 4.388 0.037 18976 15782 1 19 . 1 1 41 41 SER C C 41 174.839 174.839 176.054 -1.215 18976 15783 1 19 . 1 1 41 41 SER CA C 41 61.249 61.249 60.915 0.334 18976 15784 1 19 . 1 1 41 41 SER CB C 41 62.464 62.464 63.260 -0.796 18976 15785 1 19 . 1 1 41 41 SER H H 41 7.925 7.925 7.708 0.217 18976 15786 1 19 . 1 1 42 42 LEU N N 42 120.676 120.676 122.266 -1.590 18976 15787 1 19 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.296 0.221 18976 15788 1 19 . 1 1 42 42 LEU C C 42 177.540 177.540 177.208 0.332 18976 15789 1 19 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.089 0.143 18976 15790 1 19 . 1 1 42 42 LEU CB C 42 41.670 41.670 40.107 1.563 18976 15791 1 19 . 1 1 42 42 LEU H H 42 7.395 7.395 7.796 -0.401 18976 15792 1 19 . 1 1 43 43 GLY N N 43 106.840 106.840 107.229 -0.389 18976 15793 1 19 . 1 1 43 43 GLY C C 43 174.384 174.384 174.218 0.166 18976 15794 1 19 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.282 0.025 18976 15795 1 19 . 1 1 43 43 GLY H H 43 7.885 7.885 7.624 0.261 18976 15796 1 19 . 1 1 44 44 GLN N N 44 118.414 118.414 119.611 -1.197 18976 15797 1 19 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.233 0.269 18976 15798 1 19 . 1 1 44 44 GLN C C 44 174.134 174.134 175.138 -1.004 18976 15799 1 19 . 1 1 44 44 GLN CA C 44 54.184 54.184 55.578 -1.394 18976 15800 1 19 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.016 0.258 18976 15801 1 19 . 1 1 44 44 GLN H H 44 7.805 7.805 7.648 0.157 18976 15802 1 19 . 1 1 45 45 ASN N N 45 116.265 116.265 121.984 -5.719 18976 15803 1 19 . 1 1 45 45 ASN HA H 45 5.201 5.201 5.055 0.146 18976 15804 1 19 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.540 -0.583 18976 15805 1 19 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.767 0.142 18976 15806 1 19 . 1 1 45 45 ASN H H 45 8.733 8.733 8.648 0.085 18976 15807 1 19 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.621 0.166 18976 15808 1 19 . 1 1 46 46 PRO C C 46 177.745 177.745 176.013 1.732 18976 15809 1 19 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.604 -0.499 18976 15810 1 19 . 1 1 46 46 PRO CB C 46 31.703 31.703 32.421 -0.718 18976 15811 1 19 . 1 1 47 47 THR N N 47 112.958 112.958 114.329 -1.371 18976 15812 1 19 . 1 1 47 47 THR HA H 47 4.451 4.451 4.461 -0.010 18976 15813 1 19 . 1 1 47 47 THR C C 47 175.159 175.159 175.700 -0.541 18976 15814 1 19 . 1 1 47 47 THR CA C 47 60.078 60.078 59.635 0.443 18976 15815 1 19 . 1 1 47 47 THR CB C 47 71.001 71.001 70.875 0.126 18976 15816 1 19 . 1 1 47 47 THR H H 47 8.767 8.767 8.206 0.561 18976 15817 1 19 . 1 1 48 48 GLU N N 48 120.607 120.607 127.744 -7.137 18976 15818 1 19 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.941 0.065 18976 15819 1 19 . 1 1 48 48 GLU C C 48 178.949 178.949 177.688 1.261 18976 15820 1 19 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.498 0.243 18976 15821 1 19 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.504 -0.812 18976 15822 1 19 . 1 1 48 48 GLU H H 48 8.824 8.824 9.046 -0.222 18976 15823 1 19 . 1 1 49 49 ALA N N 49 120.678 120.678 121.694 -1.016 18976 15824 1 19 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.035 0.084 18976 15825 1 19 . 1 1 49 49 ALA C C 49 180.226 180.226 179.574 0.652 18976 15826 1 19 . 1 1 49 49 ALA CA C 49 54.716 54.716 55.033 -0.317 18976 15827 1 19 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.158 -0.285 18976 15828 1 19 . 1 1 49 49 ALA H H 49 8.279 8.279 7.573 0.706 18976 15829 1 19 . 1 1 50 50 GLU N N 50 118.703 118.703 119.813 -1.110 18976 15830 1 19 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.201 -0.149 18976 15831 1 19 . 1 1 50 50 GLU C C 50 180.182 180.182 179.014 1.168 18976 15832 1 19 . 1 1 50 50 GLU CA C 50 58.857 58.857 58.875 -0.018 18976 15833 1 19 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.343 0.025 18976 15834 1 19 . 1 1 50 50 GLU H H 50 7.712 7.712 7.761 -0.049 18976 15835 1 19 . 1 1 51 51 LEU N N 51 120.420 120.420 118.397 2.023 18976 15836 1 19 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.181 -0.087 18976 15837 1 19 . 1 1 51 51 LEU C C 51 178.494 178.494 179.147 -0.653 18976 15838 1 19 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.884 0.795 18976 15839 1 19 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.329 1.727 18976 15840 1 19 . 1 1 51 51 LEU H H 51 8.192 8.192 7.518 0.674 18976 15841 1 19 . 1 1 52 52 GLN N N 52 118.200 118.200 120.445 -2.245 18976 15842 1 19 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.996 -0.158 18976 15843 1 19 . 1 1 52 52 GLN C C 52 178.518 178.518 178.158 0.360 18976 15844 1 19 . 1 1 52 52 GLN CA C 52 58.197 58.197 59.559 -1.362 18976 15845 1 19 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.426 -0.522 18976 15846 1 19 . 1 1 52 52 GLN H H 52 8.212 8.212 8.063 0.149 18976 15847 1 19 . 1 1 53 53 ASP N N 53 119.922 119.922 118.851 1.071 18976 15848 1 19 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.470 -0.040 18976 15849 1 19 . 1 1 53 53 ASP C C 53 178.635 178.635 178.548 0.087 18976 15850 1 19 . 1 1 53 53 ASP CA C 53 57.262 57.262 56.875 0.387 18976 15851 1 19 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.273 -0.311 18976 15852 1 19 . 1 1 53 53 ASP H H 53 8.108 8.108 7.842 0.266 18976 15853 1 19 . 1 1 54 54 MET N N 54 119.290 119.290 118.702 0.588 18976 15854 1 19 . 1 1 54 54 MET HA H 54 4.044 4.044 4.151 -0.107 18976 15855 1 19 . 1 1 54 54 MET C C 54 178.876 178.876 178.610 0.266 18976 15856 1 19 . 1 1 54 54 MET CA C 54 59.108 59.108 58.809 0.299 18976 15857 1 19 . 1 1 54 54 MET CB C 54 32.930 32.930 32.488 0.442 18976 15858 1 19 . 1 1 54 54 MET H H 54 7.865 7.865 7.445 0.420 18976 15859 1 19 . 1 1 55 55 ILE N N 55 118.056 118.056 121.183 -3.127 18976 15860 1 19 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.546 -0.031 18976 15861 1 19 . 1 1 55 55 ILE C C 55 177.760 177.760 177.348 0.412 18976 15862 1 19 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.242 -0.762 18976 15863 1 19 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.851 -0.871 18976 15864 1 19 . 1 1 55 55 ILE H H 55 7.710 7.710 7.989 -0.279 18976 15865 1 19 . 1 1 56 56 ASN N N 56 117.688 117.688 116.367 1.321 18976 15866 1 19 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.421 -0.029 18976 15867 1 19 . 1 1 56 56 ASN C C 56 177.393 177.393 176.668 0.725 18976 15868 1 19 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.680 -0.094 18976 15869 1 19 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.138 -0.483 18976 15870 1 19 . 1 1 56 56 ASN H H 56 8.606 8.606 7.840 0.766 18976 15871 1 19 . 1 1 57 57 GLU N N 57 116.316 116.316 117.841 -1.525 18976 15872 1 19 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.227 -0.184 18976 15873 1 19 . 1 1 57 57 GLU C C 57 177.569 177.569 177.923 -0.354 18976 15874 1 19 . 1 1 57 57 GLU CA C 57 58.632 58.632 57.952 0.680 18976 15875 1 19 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.045 0.054 18976 15876 1 19 . 1 1 57 57 GLU H H 57 7.580 7.580 8.140 -0.560 18976 15877 1 19 . 1 1 58 58 VAL N N 58 108.390 108.390 112.313 -3.923 18976 15878 1 19 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.159 0.323 18976 15879 1 19 . 1 1 58 58 VAL C C 58 175.749 175.749 176.117 -0.368 18976 15880 1 19 . 1 1 58 58 VAL CA C 58 60.417 60.417 61.910 -1.493 18976 15881 1 19 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.245 0.122 18976 15882 1 19 . 1 1 58 58 VAL H H 58 7.219 7.219 7.469 -0.250 18976 15883 1 19 . 1 1 59 59 ASP N N 59 121.728 121.728 121.548 0.180 18976 15884 1 19 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.851 -0.209 18976 15885 1 19 . 1 1 59 59 ASP C C 59 176.219 176.219 175.756 0.463 18976 15886 1 19 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.072 -0.604 18976 15887 1 19 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.677 -1.812 18976 15888 1 19 . 1 1 59 59 ASP H H 59 7.674 7.674 7.894 -0.220 18976 15889 1 19 . 1 1 60 60 ALA N N 60 109.214 109.214 130.071 -20.857 18976 15890 1 19 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.107 0.109 18976 15891 1 19 . 1 1 60 60 ALA C C 60 178.626 178.626 178.573 0.053 18976 15892 1 19 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.312 -0.327 18976 15893 1 19 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.637 -0.490 18976 15894 1 19 . 1 1 60 60 ALA H H 60 8.481 8.481 8.372 0.109 18976 15895 1 19 . 1 1 61 61 ASP N N 61 113.667 113.667 116.122 -2.455 18976 15896 1 19 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.451 0.172 18976 15897 1 19 . 1 1 61 61 ASP C C 61 177.848 177.848 177.860 -0.012 18976 15898 1 19 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.331 -1.921 18976 15899 1 19 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.831 -1.280 18976 15900 1 19 . 1 1 61 61 ASP H H 61 8.158 8.158 7.896 0.262 18976 15901 1 19 . 1 1 62 62 GLY N N 62 108.314 108.314 108.885 -0.571 18976 15902 1 19 . 1 1 62 62 GLY C C 62 174.933 174.933 175.403 -0.470 18976 15903 1 19 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.797 1.145 18976 15904 1 19 . 1 1 62 62 GLY H H 62 7.585 7.585 8.191 -0.606 18976 15905 1 19 . 1 1 63 63 ASN N N 63 118.384 118.384 119.225 -0.841 18976 15906 1 19 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.694 -0.037 18976 15907 1 19 . 1 1 63 63 ASN C C 63 176.835 176.835 176.734 0.101 18976 15908 1 19 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.717 -0.494 18976 15909 1 19 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.163 -1.797 18976 15910 1 19 . 1 1 63 63 ASN H H 63 8.086 8.086 8.534 -0.448 18976 15911 1 19 . 1 1 64 64 GLY N N 64 113.412 113.412 109.701 3.711 18976 15912 1 19 . 1 1 64 64 GLY C C 64 173.254 173.254 173.118 0.136 18976 15913 1 19 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.370 0.027 18976 15914 1 19 . 1 1 64 64 GLY H H 64 10.618 10.618 8.315 2.303 18976 15915 1 19 . 1 1 65 65 THR N N 65 108.877 108.877 114.066 -5.189 18976 15916 1 19 . 1 1 65 65 THR HA H 65 4.766 4.766 4.716 0.050 18976 15917 1 19 . 1 1 65 65 THR C C 65 173.195 173.195 173.481 -0.286 18976 15918 1 19 . 1 1 65 65 THR CA C 65 59.301 59.301 61.221 -1.920 18976 15919 1 19 . 1 1 65 65 THR CB C 65 71.695 71.695 72.502 -0.807 18976 15920 1 19 . 1 1 65 65 THR H H 65 7.684 7.684 8.056 -0.372 18976 15921 1 19 . 1 1 66 66 ILE N N 66 123.673 123.673 125.361 -1.688 18976 15922 1 19 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.364 0.826 18976 15923 1 19 . 1 1 66 66 ILE C C 66 175.529 175.529 175.284 0.245 18976 15924 1 19 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.238 -1.554 18976 15925 1 19 . 1 1 66 66 ILE CB C 66 39.417 39.417 37.947 1.470 18976 15926 1 19 . 1 1 66 66 ILE H H 66 8.912 8.912 8.487 0.425 18976 15927 1 19 . 1 1 67 67 ASP N N 67 128.135 128.135 128.851 -0.716 18976 15928 1 19 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.037 0.347 18976 15929 1 19 . 1 1 67 67 ASP C C 67 176.322 176.322 177.639 -1.317 18976 15930 1 19 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.658 -1.815 18976 15931 1 19 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.018 -1.231 18976 15932 1 19 . 1 1 67 67 ASP H H 67 8.824 8.824 8.570 0.254 18976 15933 1 19 . 1 1 68 68 PHE N N 68 118.627 118.627 121.105 -2.478 18976 15934 1 19 . 1 1 68 68 PHE HA H 68 4.024 4.024 4.883 -0.859 18976 15935 1 19 . 1 1 68 68 PHE CA C 68 63.170 63.170 63.586 -0.416 18976 15936 1 19 . 1 1 68 68 PHE CB C 68 35.601 35.601 37.335 -1.734 18976 15937 1 19 . 1 1 68 68 PHE H H 68 8.943 8.943 8.883 0.060 18976 15938 1 19 . 1 1 69 69 PRO HA H 69 3.876 3.876 4.187 -0.311 18976 15939 1 19 . 1 1 69 69 PRO C C 69 180.037 180.037 178.672 1.365 18976 15940 1 19 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.543 0.849 18976 15941 1 19 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.924 -0.550 18976 15942 1 19 . 1 1 70 70 GLU N N 70 117.615 117.615 118.166 -0.551 18976 15943 1 19 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.170 -0.062 18976 15944 1 19 . 1 1 70 70 GLU C C 70 178.773 178.773 178.543 0.230 18976 15945 1 19 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.622 -0.056 18976 15946 1 19 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.176 -0.150 18976 15947 1 19 . 1 1 70 70 GLU H H 70 7.969 7.969 8.266 -0.297 18976 15948 1 19 . 1 1 71 71 PHE N N 71 123.460 123.460 122.219 1.241 18976 15949 1 19 . 1 1 71 71 PHE HA H 71 3.974 3.974 3.991 -0.017 18976 15950 1 19 . 1 1 71 71 PHE C C 71 177.041 177.041 176.082 0.959 18976 15951 1 19 . 1 1 71 71 PHE CA C 71 61.027 61.027 60.905 0.122 18976 15952 1 19 . 1 1 71 71 PHE CB C 71 39.707 39.707 38.853 0.854 18976 15953 1 19 . 1 1 71 71 PHE H H 71 8.861 8.861 8.000 0.861 18976 15954 1 19 . 1 1 72 72 LEU N N 72 118.749 118.749 119.489 -0.740 18976 15955 1 19 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.191 0.177 18976 15956 1 19 . 1 1 72 72 LEU C C 72 178.949 178.949 178.817 0.132 18976 15957 1 19 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.548 0.048 18976 15958 1 19 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.063 0.679 18976 15959 1 19 . 1 1 72 72 LEU H H 72 8.411 8.411 7.844 0.567 18976 15960 1 19 . 1 1 73 73 THR N N 73 115.213 115.213 111.619 3.594 18976 15961 1 19 . 1 1 73 73 THR HA H 73 3.753 3.753 3.834 -0.081 18976 15962 1 19 . 1 1 73 73 THR C C 73 175.955 175.955 176.406 -0.451 18976 15963 1 19 . 1 1 73 73 THR CA C 73 66.313 66.313 65.366 0.947 18976 15964 1 19 . 1 1 73 73 THR CB C 73 68.075 68.075 68.388 -0.313 18976 15965 1 19 . 1 1 73 73 THR H H 73 7.522 7.522 7.626 -0.104 18976 15966 1 19 . 1 1 74 74 MET N N 74 121.455 121.455 121.560 -0.105 18976 15967 1 19 . 1 1 74 74 MET HA H 74 3.773 3.773 3.865 -0.092 18976 15968 1 19 . 1 1 74 74 MET C C 74 178.098 178.098 177.603 0.495 18976 15969 1 19 . 1 1 74 74 MET CA C 74 58.603 58.603 59.151 -0.548 18976 15970 1 19 . 1 1 74 74 MET CB C 74 32.905 32.905 32.451 0.454 18976 15971 1 19 . 1 1 74 74 MET H H 74 7.783 7.783 7.512 0.271 18976 15972 1 19 . 1 1 75 75 MET N N 75 116.557 116.557 116.655 -0.098 18976 15973 1 19 . 1 1 75 75 MET HA H 75 3.998 3.998 3.931 0.067 18976 15974 1 19 . 1 1 75 75 MET C C 75 178.700 178.700 178.456 0.244 18976 15975 1 19 . 1 1 75 75 MET CA C 75 55.472 55.472 57.284 -1.812 18976 15976 1 19 . 1 1 75 75 MET CB C 75 30.693 30.693 31.003 -0.310 18976 15977 1 19 . 1 1 75 75 MET H H 75 8.077 8.077 7.795 0.282 18976 15978 1 19 . 1 1 76 76 ALA N N 76 122.410 122.410 121.475 0.935 18976 15979 1 19 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.936 0.153 18976 15980 1 19 . 1 1 76 76 ALA C C 76 179.683 179.683 179.482 0.201 18976 15981 1 19 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.996 -0.620 18976 15982 1 19 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.010 -0.231 18976 15983 1 19 . 1 1 76 76 ALA H H 76 8.303 8.303 7.870 0.433 18976 15984 1 19 . 1 1 77 77 ARG N N 77 116.451 116.451 118.411 -1.960 18976 15985 1 19 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.008 0.094 18976 15986 1 19 . 1 1 77 77 ARG C C 77 177.701 177.701 178.320 -0.619 18976 15987 1 19 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.988 -0.946 18976 15988 1 19 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.171 -0.163 18976 15989 1 19 . 1 1 77 77 ARG H H 77 7.622 7.622 7.807 -0.185 18976 15990 1 19 . 1 1 78 78 LYS N N 78 118.021 118.021 118.087 -0.066 18976 15991 1 19 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.493 -0.254 18976 15992 1 19 . 1 1 78 78 LYS C C 78 177.525 177.525 178.452 -0.927 18976 15993 1 19 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.363 -0.642 18976 15994 1 19 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.170 0.043 18976 15995 1 19 . 1 1 78 78 LYS H H 78 7.577 7.577 7.621 -0.044 18976 15996 1 19 . 1 1 79 79 MET N N 79 118.929 118.929 117.126 1.803 18976 15997 1 19 . 1 1 79 79 MET HA H 79 4.351 4.351 4.282 0.069 18976 15998 1 19 . 1 1 79 79 MET C C 79 176.322 176.322 178.049 -1.727 18976 15999 1 19 . 1 1 79 79 MET CA C 79 56.345 56.345 56.712 -0.367 18976 16000 1 19 . 1 1 79 79 MET CB C 79 32.946 32.946 31.961 0.985 18976 16001 1 19 . 1 1 79 79 MET H H 79 7.772 7.772 7.920 -0.148 18976 16002 1 19 . 1 1 80 80 LYS N N 80 120.686 120.686 118.815 1.871 18976 16003 1 19 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.178 0.149 18976 16004 1 19 . 1 1 80 80 LYS C C 80 176.395 176.395 178.152 -1.757 18976 16005 1 19 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.716 -1.572 18976 16006 1 19 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.402 1.406 18976 16007 1 19 . 1 1 80 80 LYS H H 80 7.955 7.955 7.494 0.461 18976 16008 1 19 . 1 1 81 81 ASP N N 81 121.721 121.721 117.864 3.857 18976 16009 1 19 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.521 0.168 18976 16010 1 19 . 1 1 81 81 ASP C C 81 176.644 176.644 177.142 -0.498 18976 16011 1 19 . 1 1 81 81 ASP CA C 81 54.286 54.286 56.639 -2.353 18976 16012 1 19 . 1 1 81 81 ASP CB C 81 40.793 40.793 40.871 -0.078 18976 16013 1 19 . 1 1 81 81 ASP H H 81 8.341 8.341 7.612 0.729 18976 16014 1 19 . 1 1 82 82 THR N N 82 114.594 114.594 111.001 3.593 18976 16015 1 19 . 1 1 82 82 THR HA H 82 4.323 4.323 4.580 -0.257 18976 16016 1 19 . 1 1 82 82 THR C C 82 174.584 174.584 174.046 0.538 18976 16017 1 19 . 1 1 82 82 THR CA C 82 61.955 61.955 60.681 1.274 18976 16018 1 19 . 1 1 82 82 THR CB C 82 69.586 69.586 69.188 0.398 18976 16019 1 19 . 1 1 82 82 THR H H 82 8.123 8.123 7.469 0.654 18976 16020 1 19 . 1 1 83 83 ASP N N 83 123.126 123.126 121.285 1.841 18976 16021 1 19 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.503 0.196 18976 16022 1 19 . 1 1 83 83 ASP C C 83 176.674 176.674 177.509 -0.835 18976 16023 1 19 . 1 1 83 83 ASP CA C 83 54.491 54.491 55.818 -1.327 18976 16024 1 19 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.718 0.322 18976 16025 1 19 . 1 1 83 83 ASP H H 83 8.439 8.439 7.763 0.676 18976 16026 1 19 . 1 1 84 84 SER N N 84 116.982 116.982 114.954 2.028 18976 16027 1 19 . 1 1 84 84 SER HA H 84 4.458 4.458 4.131 0.327 18976 16028 1 19 . 1 1 84 84 SER C C 84 175.393 175.393 176.489 -1.096 18976 16029 1 19 . 1 1 84 84 SER CA C 84 58.943 58.943 62.093 -3.151 18976 16030 1 19 . 1 1 84 84 SER CB C 84 63.550 63.550 62.913 0.636 18976 16031 1 19 . 1 1 84 84 SER H H 84 8.418 8.418 8.552 -0.134 18976 16032 1 19 . 1 1 85 85 GLU N N 85 122.632 122.632 120.034 2.598 18976 16033 1 19 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.016 0.195 18976 16034 1 19 . 1 1 85 85 GLU C C 85 177.716 177.716 178.524 -0.808 18976 16035 1 19 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.353 -0.814 18976 16036 1 19 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.844 0.383 18976 16037 1 19 . 1 1 85 85 GLU H H 85 8.504 8.504 7.985 0.519 18976 16038 1 19 . 1 1 86 86 GLU N N 86 119.077 119.077 120.246 -1.169 18976 16039 1 19 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.081 -0.020 18976 16040 1 19 . 1 1 86 86 GLU C C 86 178.885 178.885 178.617 0.268 18976 16041 1 19 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.792 0.573 18976 16042 1 19 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.511 -0.446 18976 16043 1 19 . 1 1 86 86 GLU H H 86 8.333 8.333 7.679 0.654 18976 16044 1 19 . 1 1 87 87 GLU N N 87 119.138 119.138 120.776 -1.638 18976 16045 1 19 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.089 0.057 18976 16046 1 19 . 1 1 87 87 GLU C C 87 179.823 179.823 179.186 0.637 18976 16047 1 19 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.225 -0.315 18976 16048 1 19 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.734 -0.468 18976 16049 1 19 . 1 1 87 87 GLU H H 87 8.130 8.130 7.932 0.198 18976 16050 1 19 . 1 1 88 88 LEU N N 88 122.103 122.103 119.089 3.014 18976 16051 1 19 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.144 0.247 18976 16052 1 19 . 1 1 88 88 LEU C C 88 178.905 178.905 179.202 -0.297 18976 16053 1 19 . 1 1 88 88 LEU CA C 88 57.716 57.716 58.141 -0.425 18976 16054 1 19 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.799 0.062 18976 16055 1 19 . 1 1 88 88 LEU H H 88 8.152 8.152 8.456 -0.304 18976 16056 1 19 . 1 1 89 89 ARG N N 89 120.092 120.092 118.295 1.797 18976 16057 1 19 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.065 -0.015 18976 16058 1 19 . 1 1 89 89 ARG C C 89 179.507 179.507 178.589 0.918 18976 16059 1 19 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.665 -0.254 18976 16060 1 19 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.843 -0.383 18976 16061 1 19 . 1 1 89 89 ARG H H 89 8.499 8.499 7.801 0.698 18976 16062 1 19 . 1 1 90 90 GLU N N 90 119.315 119.315 119.819 -0.504 18976 16063 1 19 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.165 0.002 18976 16064 1 19 . 1 1 90 90 GLU C C 90 178.068 178.068 178.394 -0.326 18976 16065 1 19 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.122 -0.532 18976 16066 1 19 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.655 -0.726 18976 16067 1 19 . 1 1 90 90 GLU H H 90 8.040 8.040 7.644 0.396 18976 16068 1 19 . 1 1 91 91 ALA N N 91 121.794 121.794 122.604 -0.810 18976 16069 1 19 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.127 0.084 18976 16070 1 19 . 1 1 91 91 ALA C C 91 179.855 179.855 179.427 0.428 18976 16071 1 19 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.962 -0.236 18976 16072 1 19 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.212 -0.642 18976 16073 1 19 . 1 1 91 91 ALA H H 91 7.996 7.996 7.957 0.039 18976 16074 1 19 . 1 1 92 92 PHE N N 92 119.368 119.368 118.046 1.322 18976 16075 1 19 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.942 -0.812 18976 16076 1 19 . 1 1 92 92 PHE C C 92 176.454 176.454 177.027 -0.573 18976 16077 1 19 . 1 1 92 92 PHE CA C 92 61.232 61.232 61.044 0.188 18976 16078 1 19 . 1 1 92 92 PHE CB C 92 38.927 38.927 38.903 0.024 18976 16079 1 19 . 1 1 92 92 PHE H H 92 8.360 8.360 8.151 0.209 18976 16080 1 19 . 1 1 93 93 ARG N N 93 117.178 117.178 118.383 -1.205 18976 16081 1 19 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.990 -0.125 18976 16082 1 19 . 1 1 93 93 ARG C C 93 178.421 178.421 177.988 0.433 18976 16083 1 19 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.727 0.113 18976 16084 1 19 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.613 -0.707 18976 16085 1 19 . 1 1 93 93 ARG H H 93 7.895 7.895 7.374 0.521 18976 16086 1 19 . 1 1 94 94 VAL N N 94 115.719 115.719 118.728 -3.009 18976 16087 1 19 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.660 -0.060 18976 16088 1 19 . 1 1 94 94 VAL C C 94 177.334 177.334 177.991 -0.657 18976 16089 1 19 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.609 -0.577 18976 16090 1 19 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.133 0.411 18976 16091 1 19 . 1 1 94 94 VAL H H 94 7.541 7.541 7.716 -0.175 18976 16092 1 19 . 1 1 95 95 GLU N N 95 117.921 117.921 116.779 1.142 18976 16093 1 19 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.078 -0.070 18976 16094 1 19 . 1 1 95 95 GLU C C 95 176.953 176.953 177.110 -0.157 18976 16095 1 19 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.239 0.017 18976 16096 1 19 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.064 -1.377 18976 16097 1 19 . 1 1 95 95 GLU H H 95 7.011 7.011 7.720 -0.709 18976 16098 1 19 . 1 1 96 96 ASP N N 96 117.365 117.365 118.433 -1.068 18976 16099 1 19 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.907 -0.457 18976 16100 1 19 . 1 1 96 96 ASP C C 96 177.202 177.202 175.684 1.518 18976 16101 1 19 . 1 1 96 96 ASP CA C 96 51.473 51.473 51.769 -0.296 18976 16102 1 19 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.607 -1.533 18976 16103 1 19 . 1 1 96 96 ASP H H 96 7.626 7.626 7.532 0.094 18976 16104 1 19 . 1 1 97 97 LYS N N 97 124.733 124.733 120.136 4.597 18976 16105 1 19 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.005 -0.104 18976 16106 1 19 . 1 1 97 97 LYS C C 97 178.333 178.333 177.633 0.700 18976 16107 1 19 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.481 0.124 18976 16108 1 19 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.483 -0.053 18976 16109 1 19 . 1 1 97 97 LYS H H 97 7.357 7.357 7.809 -0.452 18976 16110 1 19 . 1 1 98 98 ASP N N 98 114.048 114.048 115.751 -1.703 18976 16111 1 19 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.401 0.167 18976 16112 1 19 . 1 1 98 98 ASP C C 98 177.775 177.775 177.417 0.358 18976 16113 1 19 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.095 -1.438 18976 16114 1 19 . 1 1 98 98 ASP CB C 98 39.593 39.593 39.916 -0.323 18976 16115 1 19 . 1 1 98 98 ASP H H 98 8.352 8.352 8.138 0.214 18976 16116 1 19 . 1 1 99 99 GLY N N 99 109.454 109.454 109.416 0.038 18976 16117 1 19 . 1 1 99 99 GLY C C 99 175.082 175.082 175.099 -0.017 18976 16118 1 19 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.828 0.999 18976 16119 1 19 . 1 1 99 99 GLY H H 99 7.828 7.828 7.935 -0.107 18976 16120 1 19 . 1 1 100 100 ASN N N 100 119.607 119.607 118.627 0.980 18976 16121 1 19 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.648 -0.013 18976 16122 1 19 . 1 1 100 100 ASN C C 100 175.969 175.969 176.534 -0.565 18976 16123 1 19 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.604 -0.121 18976 16124 1 19 . 1 1 100 100 ASN CB C 100 37.881 37.881 38.906 -1.025 18976 16125 1 19 . 1 1 100 100 ASN H H 100 8.334 8.334 8.141 0.193 18976 16126 1 19 . 1 1 101 101 GLY N N 101 113.007 113.007 107.732 5.275 18976 16127 1 19 . 1 1 101 101 GLY C C 101 172.314 172.314 172.974 -0.660 18976 16128 1 19 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.021 -0.339 18976 16129 1 19 . 1 1 101 101 GLY H H 101 10.640 10.640 8.140 2.500 18976 16130 1 19 . 1 1 102 102 TYR N N 102 115.913 115.913 115.259 0.654 18976 16131 1 19 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.655 -0.469 18976 16132 1 19 . 1 1 102 102 TYR C C 102 174.736 174.736 173.380 1.356 18976 16133 1 19 . 1 1 102 102 TYR CA C 102 55.662 55.662 55.214 0.448 18976 16134 1 19 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.093 1.708 18976 16135 1 19 . 1 1 102 102 TYR H H 102 7.610 7.610 7.896 -0.286 18976 16136 1 19 . 1 1 103 103 ILE N N 103 127.698 127.698 121.846 5.852 18976 16137 1 19 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.692 0.124 18976 16138 1 19 . 1 1 103 103 ILE C C 103 175.634 175.634 175.610 0.024 18976 16139 1 19 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.698 0.740 18976 16140 1 19 . 1 1 103 103 ILE CB C 103 38.919 38.919 41.050 -2.131 18976 16141 1 19 . 1 1 103 103 ILE H H 103 10.228 10.228 8.246 1.982 18976 16142 1 19 . 1 1 104 104 SER N N 104 123.581 123.581 120.475 3.106 18976 16143 1 19 . 1 1 104 104 SER HA H 104 4.849 4.849 5.045 -0.196 18976 16144 1 19 . 1 1 104 104 SER C C 104 175.191 175.191 175.054 0.137 18976 16145 1 19 . 1 1 104 104 SER CA C 104 55.499 55.499 55.307 0.192 18976 16146 1 19 . 1 1 104 104 SER CB C 104 66.371 66.371 65.441 0.930 18976 16147 1 19 . 1 1 104 104 SER H H 104 8.947 8.947 8.287 0.660 18976 16148 1 19 . 1 1 105 105 ALA N N 105 122.829 122.829 123.995 -1.166 18976 16149 1 19 . 1 1 105 105 ALA HA H 105 3.929 3.929 3.935 -0.006 18976 16150 1 19 . 1 1 105 105 ALA C C 105 179.272 179.272 178.837 0.435 18976 16151 1 19 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.839 -0.179 18976 16152 1 19 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.649 -0.966 18976 16153 1 19 . 1 1 105 105 ALA H H 105 9.251 9.251 9.107 0.144 18976 16154 1 19 . 1 1 106 106 ALA N N 106 118.442 118.442 118.888 -0.446 18976 16155 1 19 . 1 1 106 106 ALA HA H 106 4.037 4.037 4.040 -0.003 18976 16156 1 19 . 1 1 106 106 ALA C C 106 181.180 181.180 179.491 1.689 18976 16157 1 19 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.356 0.485 18976 16158 1 19 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.403 -0.360 18976 16159 1 19 . 1 1 106 106 ALA H H 106 8.209 8.209 8.550 -0.341 18976 16160 1 19 . 1 1 107 107 GLU N N 107 118.406 118.406 119.315 -0.909 18976 16161 1 19 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.014 -0.022 18976 16162 1 19 . 1 1 107 107 GLU C C 107 179.272 179.272 178.924 0.348 18976 16163 1 19 . 1 1 107 107 GLU CA C 107 59.141 59.141 59.092 0.049 18976 16164 1 19 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.414 -0.658 18976 16165 1 19 . 1 1 107 107 GLU H H 107 7.752 7.752 7.565 0.187 18976 16166 1 19 . 1 1 108 108 LEU N N 108 122.413 122.413 119.125 3.288 18976 16167 1 19 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.011 0.061 18976 16168 1 19 . 1 1 108 108 LEU C C 108 178.553 178.553 178.837 -0.284 18976 16169 1 19 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.848 -0.556 18976 16170 1 19 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.541 -0.098 18976 16171 1 19 . 1 1 108 108 LEU H H 108 8.793 8.793 8.193 0.600 18976 16172 1 19 . 1 1 109 109 ARG N N 109 118.074 118.074 118.675 -0.601 18976 16173 1 19 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.022 -0.165 18976 16174 1 19 . 1 1 109 109 ARG C C 109 179.140 179.140 178.860 0.280 18976 16175 1 19 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.620 0.166 18976 16176 1 19 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.191 -0.367 18976 16177 1 19 . 1 1 109 109 ARG H H 109 8.421 8.421 7.585 0.836 18976 16178 1 19 . 1 1 110 110 ILE N N 110 120.191 120.191 116.986 3.205 18976 16179 1 19 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.979 -0.192 18976 16180 1 19 . 1 1 110 110 ILE C C 110 177.804 177.804 177.771 0.033 18976 16181 1 19 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.893 0.660 18976 16182 1 19 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.402 0.656 18976 16183 1 19 . 1 1 110 110 ILE H H 110 7.401 7.401 7.627 -0.226 18976 16184 1 19 . 1 1 111 111 VAL N N 111 120.330 120.330 121.009 -0.679 18976 16185 1 19 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.763 0.000 18976 16186 1 19 . 1 1 111 111 VAL C C 111 178.802 178.802 177.408 1.394 18976 16187 1 19 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.655 0.035 18976 16188 1 19 . 1 1 111 111 VAL CB C 111 31.592 31.592 32.433 -0.841 18976 16189 1 19 . 1 1 111 111 VAL H H 111 7.907 7.907 7.391 0.516 18976 16190 1 19 . 1 1 112 112 MET N N 112 116.794 116.794 116.824 -0.030 18976 16191 1 19 . 1 1 112 112 MET HA H 112 4.396 4.396 4.290 0.106 18976 16192 1 19 . 1 1 112 112 MET C C 112 178.890 178.890 178.372 0.518 18976 16193 1 19 . 1 1 112 112 MET CA C 112 56.719 56.719 56.885 -0.165 18976 16194 1 19 . 1 1 112 112 MET CB C 112 30.384 30.384 30.873 -0.489 18976 16195 1 19 . 1 1 112 112 MET H H 112 8.355 8.355 8.021 0.334 18976 16196 1 19 . 1 1 113 113 THR N N 113 117.282 117.282 115.248 2.034 18976 16197 1 19 . 1 1 113 113 THR HA H 113 4.187 4.187 3.981 0.206 18976 16198 1 19 . 1 1 113 113 THR C C 113 178.112 178.112 176.448 1.664 18976 16199 1 19 . 1 1 113 113 THR CA C 113 65.902 65.902 66.888 -0.986 18976 16200 1 19 . 1 1 113 113 THR CB C 113 68.642 68.642 68.204 0.438 18976 16201 1 19 . 1 1 113 113 THR H H 113 8.314 8.314 7.719 0.595 18976 16202 1 19 . 1 1 114 114 ASN N N 114 122.220 122.220 118.928 3.292 18976 16203 1 19 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.526 0.066 18976 16204 1 19 . 1 1 114 114 ASN C C 114 176.644 176.644 177.102 -0.458 18976 16205 1 19 . 1 1 114 114 ASN CA C 114 55.154 55.154 55.203 -0.049 18976 16206 1 19 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.691 -1.095 18976 16207 1 19 . 1 1 114 114 ASN H H 114 8.483 8.483 7.598 0.885 18976 16208 1 19 . 1 1 115 115 ARG N N 115 117.970 117.970 117.930 0.040 18976 16209 1 19 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.323 0.106 18976 16210 1 19 . 1 1 115 115 ARG C C 115 176.366 176.366 177.242 -0.876 18976 16211 1 19 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.035 0.364 18976 16212 1 19 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.135 0.365 18976 16213 1 19 . 1 1 115 115 ARG H H 115 7.776 7.776 7.742 0.034 18976 16214 1 19 . 1 1 116 116 GLY N N 116 107.547 107.547 106.851 0.696 18976 16215 1 19 . 1 1 116 116 GLY C C 116 174.384 174.384 175.015 -0.631 18976 16216 1 19 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.636 -0.430 18976 16217 1 19 . 1 1 116 116 GLY H H 116 7.968 7.968 7.800 0.168 18976 16218 1 19 . 1 1 117 117 GLU N N 117 119.975 119.975 119.650 0.325 18976 16219 1 19 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.481 -0.075 18976 16220 1 19 . 1 1 117 117 GLU C C 117 175.558 175.558 175.668 -0.110 18976 16221 1 19 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.441 0.735 18976 16222 1 19 . 1 1 117 117 GLU CB C 117 30.400 30.400 30.022 0.378 18976 16223 1 19 . 1 1 117 117 GLU H H 117 7.934 7.934 8.062 -0.128 18976 16224 1 19 . 1 1 118 118 LYS N N 118 124.035 124.035 120.881 3.154 18976 16225 1 19 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.091 0.313 18976 16226 1 19 . 1 1 118 118 LYS C C 118 175.441 175.441 176.103 -0.662 18976 16227 1 19 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.792 -1.525 18976 16228 1 19 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.385 -0.535 18976 16229 1 19 . 1 1 118 118 LYS H H 118 8.626 8.626 7.765 0.861 18976 16230 1 19 . 1 1 119 119 LEU N N 119 124.745 124.745 126.191 -1.446 18976 16231 1 19 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.694 0.076 18976 16232 1 19 . 1 1 119 119 LEU C C 119 178.127 178.127 176.862 1.265 18976 16233 1 19 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.181 0.658 18976 16234 1 19 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.549 -0.226 18976 16235 1 19 . 1 1 119 119 LEU H H 119 8.140 8.140 8.188 -0.048 18976 16236 1 19 . 1 1 120 120 THR N N 120 114.555 114.555 115.178 -0.623 18976 16237 1 19 . 1 1 120 120 THR HA H 120 4.477 4.477 4.362 0.115 18976 16238 1 19 . 1 1 120 120 THR C C 120 175.514 175.514 175.776 -0.262 18976 16239 1 19 . 1 1 120 120 THR CA C 120 60.613 60.613 62.282 -1.669 18976 16240 1 19 . 1 1 120 120 THR CB C 120 70.902 70.902 70.151 0.751 18976 16241 1 19 . 1 1 120 120 THR H H 120 9.220 9.220 8.175 1.045 18976 16242 1 19 . 1 1 121 121 ASP N N 121 121.128 121.128 123.198 -2.070 18976 16243 1 19 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.222 0.006 18976 16244 1 19 . 1 1 121 121 ASP C C 121 178.655 178.655 178.371 0.284 18976 16245 1 19 . 1 1 121 121 ASP CA C 121 57.752 57.752 58.483 -0.731 18976 16246 1 19 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.709 -1.394 18976 16247 1 19 . 1 1 121 121 ASP H H 121 8.921 8.921 8.814 0.107 18976 16248 1 19 . 1 1 122 122 GLU N N 122 119.266 119.266 119.351 -0.085 18976 16249 1 19 . 1 1 122 122 GLU HA H 122 4.119 4.119 3.979 0.140 18976 16250 1 19 . 1 1 122 122 GLU C C 122 179.184 179.184 178.402 0.782 18976 16251 1 19 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.205 0.567 18976 16252 1 19 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.388 -0.522 18976 16253 1 19 . 1 1 122 122 GLU H H 122 8.712 8.712 8.663 0.049 18976 16254 1 19 . 1 1 123 123 GLU N N 123 120.455 120.455 118.177 2.278 18976 16255 1 19 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.149 -0.126 18976 16256 1 19 . 1 1 123 123 GLU C C 123 180.123 180.123 179.237 0.886 18976 16257 1 19 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.773 0.317 18976 16258 1 19 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.504 0.709 18976 16259 1 19 . 1 1 123 123 GLU H H 123 7.763 7.763 7.676 0.087 18976 16260 1 19 . 1 1 124 124 VAL N N 124 121.726 121.726 115.632 6.094 18976 16261 1 19 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.759 -0.152 18976 16262 1 19 . 1 1 124 124 VAL C C 124 177.337 177.337 177.160 0.177 18976 16263 1 19 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.613 1.119 18976 16264 1 19 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.101 -0.059 18976 16265 1 19 . 1 1 124 124 VAL H H 124 8.119 8.119 8.243 -0.124 18976 16266 1 19 . 1 1 125 125 ASP N N 125 119.880 119.880 120.383 -0.503 18976 16267 1 19 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.411 -0.060 18976 16268 1 19 . 1 1 125 125 ASP C C 125 179.323 179.323 177.942 1.381 18976 16269 1 19 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.634 -0.259 18976 16270 1 19 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.888 -0.776 18976 16271 1 19 . 1 1 125 125 ASP H H 125 8.051 8.051 7.567 0.484 18976 16272 1 19 . 1 1 126 126 GLU N N 126 119.798 119.798 119.037 0.761 18976 16273 1 19 . 1 1 126 126 GLU HA H 126 4.021 4.021 3.984 0.037 18976 16274 1 19 . 1 1 126 126 GLU C C 126 177.966 177.966 178.642 -0.676 18976 16275 1 19 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.672 -0.699 18976 16276 1 19 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.615 -0.531 18976 16277 1 19 . 1 1 126 126 GLU H H 126 8.047 8.047 8.200 -0.153 18976 16278 1 19 . 1 1 127 127 MET N N 127 119.443 119.443 115.527 3.916 18976 16279 1 19 . 1 1 127 127 MET HA H 127 4.137 4.137 4.509 -0.372 18976 16280 1 19 . 1 1 127 127 MET C C 127 179.859 179.859 178.513 1.346 18976 16281 1 19 . 1 1 127 127 MET CA C 127 59.137 59.137 58.285 0.852 18976 16282 1 19 . 1 1 127 127 MET CB C 127 32.239 32.239 32.677 -0.438 18976 16283 1 19 . 1 1 127 127 MET H H 127 7.795 7.795 7.301 0.494 18976 16284 1 19 . 1 1 128 128 ILE N N 128 120.667 120.667 121.992 -1.325 18976 16285 1 19 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.689 -0.168 18976 16286 1 19 . 1 1 128 128 ILE C C 128 177.657 177.657 178.102 -0.445 18976 16287 1 19 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.724 -0.912 18976 16288 1 19 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.041 -1.054 18976 16289 1 19 . 1 1 128 128 ILE H H 128 8.158 8.158 8.219 -0.061 18976 16290 1 19 . 1 1 129 129 ARG N N 129 119.725 119.725 118.030 1.695 18976 16291 1 19 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.351 -0.282 18976 16292 1 19 . 1 1 129 129 ARG C C 129 178.920 178.920 178.577 0.343 18976 16293 1 19 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.629 0.986 18976 16294 1 19 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.349 -0.467 18976 16295 1 19 . 1 1 129 129 ARG H H 129 8.270 8.270 7.849 0.421 18976 16296 1 19 . 1 1 130 130 GLU N N 130 115.236 115.236 118.850 -3.614 18976 16297 1 19 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.148 -0.054 18976 16298 1 19 . 1 1 130 130 GLU C C 130 177.349 177.349 177.643 -0.294 18976 16299 1 19 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.663 -0.763 18976 16300 1 19 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.196 0.627 18976 16301 1 19 . 1 1 130 130 GLU H H 130 7.953 7.953 7.890 0.063 18976 16302 1 19 . 1 1 131 131 THR N N 131 112.585 112.585 113.411 -0.826 18976 16303 1 19 . 1 1 131 131 THR HA H 131 4.239 4.239 4.137 0.102 18976 16304 1 19 . 1 1 131 131 THR C C 131 174.149 174.149 174.348 -0.199 18976 16305 1 19 . 1 1 131 131 THR CA C 131 62.887 62.887 65.641 -2.754 18976 16306 1 19 . 1 1 131 131 THR CB C 131 69.337 69.337 69.439 -0.102 18976 16307 1 19 . 1 1 131 131 THR H H 131 7.465 7.465 7.571 -0.106 18976 16308 1 19 . 1 1 132 132 ASP N N 132 121.237 121.237 118.406 2.831 18976 16309 1 19 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.847 -0.369 18976 16310 1 19 . 1 1 132 132 ASP C C 132 175.777 175.777 175.896 -0.119 18976 16311 1 19 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.497 1.457 18976 16312 1 19 . 1 1 132 132 ASP CB C 132 40.440 40.440 43.004 -2.564 18976 16313 1 19 . 1 1 132 132 ASP H H 132 8.070 8.070 7.866 0.204 18976 16314 1 19 . 1 1 133 133 ILE N N 133 127.244 127.244 123.438 3.806 18976 16315 1 19 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.140 -0.164 18976 16316 1 19 . 1 1 133 133 ILE C C 133 177.628 177.628 176.546 1.082 18976 16317 1 19 . 1 1 133 133 ILE CA C 133 62.866 62.866 61.873 0.993 18976 16318 1 19 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.608 -0.130 18976 16319 1 19 . 1 1 133 133 ILE H H 133 8.345 8.345 8.444 -0.099 18976 16320 1 19 . 1 1 134 134 ASP N N 134 116.893 116.893 120.218 -3.325 18976 16321 1 19 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.534 -0.001 18976 16322 1 19 . 1 1 134 134 ASP C C 134 178.259 178.259 177.390 0.869 18976 16323 1 19 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.848 -0.305 18976 16324 1 19 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.699 -0.861 18976 16325 1 19 . 1 1 134 134 ASP H H 134 8.297 8.297 7.871 0.426 18976 16326 1 19 . 1 1 135 135 GLY N N 135 108.287 108.287 108.615 -0.328 18976 16327 1 19 . 1 1 135 135 GLY C C 135 175.250 175.250 175.216 0.034 18976 16328 1 19 . 1 1 135 135 GLY CA C 135 47.097 47.097 45.607 1.490 18976 16329 1 19 . 1 1 135 135 GLY H H 135 7.623 7.623 8.260 -0.637 18976 16330 1 19 . 1 1 136 136 ASP N N 136 120.541 120.541 119.881 0.660 18976 16331 1 19 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.569 -0.089 18976 16332 1 19 . 1 1 136 136 ASP C C 136 177.584 177.584 177.162 0.422 18976 16333 1 19 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.051 0.324 18976 16334 1 19 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.733 -0.840 18976 16335 1 19 . 1 1 136 136 ASP H H 136 8.290 8.290 8.249 0.041 18976 16336 1 19 . 1 1 137 137 GLY N N 137 112.490 112.490 108.217 4.273 18976 16337 1 19 . 1 1 137 137 GLY C C 137 172.828 172.828 173.300 -0.472 18976 16338 1 19 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.459 0.011 18976 16339 1 19 . 1 1 137 137 GLY H H 137 10.224 10.224 8.025 2.199 18976 16340 1 19 . 1 1 138 138 GLN N N 138 115.266 115.266 117.329 -2.063 18976 16341 1 19 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.275 -0.406 18976 16342 1 19 . 1 1 138 138 GLN C C 138 174.677 174.677 174.718 -0.041 18976 16343 1 19 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.162 -1.376 18976 16344 1 19 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.420 -1.677 18976 16345 1 19 . 1 1 138 138 GLN H H 138 7.992 7.992 8.165 -0.173 18976 16346 1 19 . 1 1 139 139 VAL N N 139 125.667 125.667 124.573 1.094 18976 16347 1 19 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.518 0.594 18976 16348 1 19 . 1 1 139 139 VAL C C 139 175.763 175.763 175.497 0.266 18976 16349 1 19 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.276 0.403 18976 16350 1 19 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.078 1.454 18976 16351 1 19 . 1 1 139 139 VAL H H 139 9.227 9.227 8.729 0.498 18976 16352 1 19 . 1 1 140 140 ASN N N 140 128.431 128.431 126.383 2.048 18976 16353 1 19 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.717 -0.443 18976 16354 1 19 . 1 1 140 140 ASN C C 140 175.079 175.079 176.671 -1.592 18976 16355 1 19 . 1 1 140 140 ASN CA C 140 50.666 50.666 52.443 -1.777 18976 16356 1 19 . 1 1 140 140 ASN CB C 140 38.227 38.227 40.393 -2.166 18976 16357 1 19 . 1 1 140 140 ASN H H 140 9.360 9.360 8.742 0.618 18976 16358 1 19 . 1 1 141 141 TYR N N 141 119.146 119.146 121.833 -2.687 18976 16359 1 19 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.682 -0.296 18976 16360 1 19 . 1 1 141 141 TYR C C 141 176.092 176.092 177.179 -1.087 18976 16361 1 19 . 1 1 141 141 TYR CA C 141 62.058 62.058 63.438 -1.381 18976 16362 1 19 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.590 -1.230 18976 16363 1 19 . 1 1 141 141 TYR H H 141 8.451 8.451 9.174 -0.723 18976 16364 1 19 . 1 1 142 142 GLU N N 142 118.431 118.431 119.807 -1.376 18976 16365 1 19 . 1 1 142 142 GLU HA H 142 3.682 3.682 4.002 -0.320 18976 16366 1 19 . 1 1 142 142 GLU C C 142 180.226 180.226 178.611 1.615 18976 16367 1 19 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.665 0.418 18976 16368 1 19 . 1 1 142 142 GLU CB C 142 28.546 28.546 28.372 0.174 18976 16369 1 19 . 1 1 142 142 GLU H H 142 8.097 8.097 8.970 -0.873 18976 16370 1 19 . 1 1 143 143 GLU N N 143 120.068 120.068 120.493 -0.425 18976 16371 1 19 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.251 -0.261 18976 16372 1 19 . 1 1 143 143 GLU C C 143 179.060 179.060 178.443 0.617 18976 16373 1 19 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.096 -0.522 18976 16374 1 19 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.479 -0.297 18976 16375 1 19 . 1 1 143 143 GLU H H 143 8.667 8.667 8.101 0.566 18976 16376 1 19 . 1 1 144 144 PHE N N 144 123.392 123.392 121.891 1.501 18976 16377 1 19 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.180 -0.213 18976 16378 1 19 . 1 1 144 144 PHE C C 144 176.982 176.982 176.973 0.009 18976 16379 1 19 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.287 0.159 18976 16380 1 19 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.169 0.526 18976 16381 1 19 . 1 1 144 144 PHE H H 144 8.731 8.731 8.577 0.154 18976 16382 1 19 . 1 1 145 145 VAL N N 145 119.201 119.201 119.093 0.108 18976 16383 1 19 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.138 0.055 18976 16384 1 19 . 1 1 145 145 VAL C C 145 179.228 179.228 177.742 1.486 18976 16385 1 19 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.485 0.177 18976 16386 1 19 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.381 -0.097 18976 16387 1 19 . 1 1 145 145 VAL H H 145 8.671 8.671 8.133 0.538 18976 16388 1 19 . 1 1 146 146 GLN N N 146 119.252 119.252 118.635 0.617 18976 16389 1 19 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.876 0.040 18976 16390 1 19 . 1 1 146 146 GLN C C 146 177.825 177.825 178.394 -0.569 18976 16391 1 19 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.173 -0.606 18976 16392 1 19 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.277 -0.457 18976 16393 1 19 . 1 1 146 146 GLN H H 146 7.767 7.767 7.800 -0.032 18976 16394 1 19 . 1 1 147 147 ARG N N 147 118.529 118.529 120.075 -1.546 18976 16395 1 19 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.079 0.093 18976 16396 1 19 . 1 1 147 147 ARG C C 147 178.112 178.112 177.994 0.118 18976 16397 1 19 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.392 -0.883 18976 16398 1 19 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.739 0.375 18976 16399 1 19 . 1 1 147 147 ARG H H 147 7.628 7.628 7.563 0.065 18976 16400 1 19 . 1 1 148 148 MET N N 148 115.755 115.755 117.474 -1.719 18976 16401 1 19 . 1 1 148 148 MET HA H 148 4.304 4.304 4.152 0.152 18976 16402 1 19 . 1 1 148 148 MET C C 148 177.628 177.628 177.688 -0.060 18976 16403 1 19 . 1 1 148 148 MET CA C 148 55.489 55.489 57.493 -2.005 18976 16404 1 19 . 1 1 148 148 MET CB C 148 31.773 31.773 32.365 -0.592 18976 16405 1 19 . 1 1 148 148 MET H H 148 8.003 8.003 7.863 0.140 18976 16406 1 19 . 1 1 149 149 THR N N 149 110.062 110.062 112.256 -2.194 18976 16407 1 19 . 1 1 149 149 THR HA H 149 4.349 4.349 4.129 0.220 18976 16408 1 19 . 1 1 149 149 THR C C 149 174.149 174.149 174.893 -0.744 18976 16409 1 19 . 1 1 149 149 THR CA C 149 61.775 61.775 64.188 -2.413 18976 16410 1 19 . 1 1 149 149 THR CB C 149 69.780 69.780 69.666 0.114 18976 16411 1 19 . 1 1 149 149 THR H H 149 7.682 7.682 7.906 -0.224 18976 16412 1 19 . 1 1 150 150 ALA N N 150 126.503 126.503 123.157 3.346 18976 16413 1 19 . 1 1 150 150 ALA HA H 150 4.330 4.330 3.850 0.480 18976 16414 1 19 . 1 1 150 150 ALA CA C 150 52.535 52.535 53.870 -1.335 18976 16415 1 19 . 1 1 150 150 ALA CB C 150 18.734 18.734 17.493 1.241 18976 16416 1 19 . 1 1 150 150 ALA H H 150 7.651 7.651 7.985 -0.334 18976 16417 1 20 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.257 0.164 18976 16418 1 20 . 1 1 2 2 LEU C C 2 177.129 177.129 177.982 -0.853 18976 16419 1 20 . 1 1 2 2 LEU CA C 2 55.122 55.122 56.605 -1.482 18976 16420 1 20 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.076 1.377 18976 16421 1 20 . 1 1 2 2 LEU H H 2 8.641 8.641 8.243 0.398 18976 16422 1 20 . 1 1 3 3 MET N N 3 120.143 120.143 117.853 2.290 18976 16423 1 20 . 1 1 3 3 MET HA H 3 4.451 4.451 4.091 0.360 18976 16424 1 20 . 1 1 3 3 MET C C 3 176.835 176.835 177.279 -0.444 18976 16425 1 20 . 1 1 3 3 MET CA C 3 55.160 55.160 58.146 -2.986 18976 16426 1 20 . 1 1 3 3 MET CB C 3 32.584 32.584 31.422 1.163 18976 16427 1 20 . 1 1 3 3 MET H H 3 8.396 8.396 7.928 0.468 18976 16428 1 20 . 1 1 4 4 ALA N N 4 123.344 123.344 119.180 4.164 18976 16429 1 20 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.057 0.003 18976 16430 1 20 . 1 1 4 4 ALA C C 4 177.922 177.922 178.174 -0.252 18976 16431 1 20 . 1 1 4 4 ALA CA C 4 53.550 53.550 53.917 -0.367 18976 16432 1 20 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.333 0.223 18976 16433 1 20 . 1 1 4 4 ALA H H 4 8.396 8.396 7.594 0.802 18976 16434 1 20 . 1 1 5 5 ASP N N 5 116.052 116.052 118.956 -2.904 18976 16435 1 20 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.676 -0.167 18976 16436 1 20 . 1 1 5 5 ASP C C 5 176.366 176.366 177.661 -1.295 18976 16437 1 20 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.524 -0.901 18976 16438 1 20 . 1 1 5 5 ASP CB C 5 40.263 40.263 41.713 -1.450 18976 16439 1 20 . 1 1 5 5 ASP H H 5 8.114 8.114 7.591 0.523 18976 16440 1 20 . 1 1 6 6 GLN N N 6 117.717 117.717 117.442 0.275 18976 16441 1 20 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.263 0.114 18976 16442 1 20 . 1 1 6 6 GLN C C 6 175.842 175.842 176.686 -0.844 18976 16443 1 20 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.634 -0.323 18976 16444 1 20 . 1 1 6 6 GLN CB C 6 29.590 29.590 28.744 0.846 18976 16445 1 20 . 1 1 6 6 GLN H H 6 7.935 7.935 7.884 0.051 18976 16446 1 20 . 1 1 7 7 LEU N N 7 121.086 121.086 121.278 -0.192 18976 16447 1 20 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.478 0.198 18976 16448 1 20 . 1 1 7 7 LEU C C 7 177.496 177.496 177.131 0.365 18976 16449 1 20 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.826 -0.761 18976 16450 1 20 . 1 1 7 7 LEU CB C 7 43.268 43.268 42.562 0.706 18976 16451 1 20 . 1 1 7 7 LEU H H 7 7.713 7.713 7.511 0.202 18976 16452 1 20 . 1 1 8 8 THR N N 8 112.688 112.688 109.664 3.024 18976 16453 1 20 . 1 1 8 8 THR HA H 8 4.475 4.475 4.670 -0.195 18976 16454 1 20 . 1 1 8 8 THR C C 8 175.511 175.511 175.049 0.462 18976 16455 1 20 . 1 1 8 8 THR CA C 8 60.256 60.256 59.772 0.484 18976 16456 1 20 . 1 1 8 8 THR CB C 8 71.019 71.019 70.690 0.329 18976 16457 1 20 . 1 1 8 8 THR H H 8 8.800 8.800 8.001 0.799 18976 16458 1 20 . 1 1 9 9 GLU N N 9 120.380 120.380 121.238 -0.858 18976 16459 1 20 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.145 -0.165 18976 16460 1 20 . 1 1 9 9 GLU C C 9 179.492 179.492 178.659 0.833 18976 16461 1 20 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.481 0.445 18976 16462 1 20 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.609 -0.684 18976 16463 1 20 . 1 1 9 9 GLU H H 9 9.040 9.040 9.052 -0.012 18976 16464 1 20 . 1 1 10 10 GLU N N 10 119.361 119.361 118.099 1.262 18976 16465 1 20 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.043 0.031 18976 16466 1 20 . 1 1 10 10 GLU C C 10 179.185 179.185 179.100 0.085 18976 16467 1 20 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.425 0.342 18976 16468 1 20 . 1 1 10 10 GLU CB C 10 28.796 28.796 28.952 -0.156 18976 16469 1 20 . 1 1 10 10 GLU H H 10 8.729 8.729 8.741 -0.012 18976 16470 1 20 . 1 1 11 11 GLN N N 11 120.302 120.302 119.049 1.253 18976 16471 1 20 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.063 -0.195 18976 16472 1 20 . 1 1 11 11 GLN C C 11 178.318 178.318 178.734 -0.416 18976 16473 1 20 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.403 -0.019 18976 16474 1 20 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.164 -0.279 18976 16475 1 20 . 1 1 11 11 GLN H H 11 7.747 7.747 7.432 0.315 18976 16476 1 20 . 1 1 12 12 ILE N N 12 119.533 119.533 120.425 -0.892 18976 16477 1 20 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.967 -0.249 18976 16478 1 20 . 1 1 12 12 ILE C C 12 177.731 177.731 177.924 -0.193 18976 16479 1 20 . 1 1 12 12 ILE CA C 12 65.959 65.959 64.814 1.145 18976 16480 1 20 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.836 -0.324 18976 16481 1 20 . 1 1 12 12 ILE H H 12 8.456 8.456 8.344 0.112 18976 16482 1 20 . 1 1 13 13 ALA N N 13 121.161 121.161 122.339 -1.178 18976 16483 1 20 . 1 1 13 13 ALA HA H 13 4.139 4.139 4.023 0.116 18976 16484 1 20 . 1 1 13 13 ALA C C 13 181.019 181.019 179.665 1.354 18976 16485 1 20 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.617 -0.494 18976 16486 1 20 . 1 1 13 13 ALA CB C 13 17.504 17.504 17.945 -0.441 18976 16487 1 20 . 1 1 13 13 ALA H H 13 8.018 8.018 8.212 -0.194 18976 16488 1 20 . 1 1 14 14 GLU N N 14 119.619 119.619 118.538 1.081 18976 16489 1 20 . 1 1 14 14 GLU HA H 14 4.164 4.164 3.998 0.166 18976 16490 1 20 . 1 1 14 14 GLU C C 14 180.534 180.534 179.245 1.289 18976 16491 1 20 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.734 0.390 18976 16492 1 20 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.032 -0.179 18976 16493 1 20 . 1 1 14 14 GLU H H 14 7.792 7.792 7.689 0.103 18976 16494 1 20 . 1 1 15 15 PHE N N 15 120.089 120.089 116.515 3.574 18976 16495 1 20 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.768 0.296 18976 16496 1 20 . 1 1 15 15 PHE C C 15 178.700 178.700 177.748 0.952 18976 16497 1 20 . 1 1 15 15 PHE CA C 15 58.857 58.857 58.805 0.052 18976 16498 1 20 . 1 1 15 15 PHE CB C 15 37.476 37.476 38.526 -1.050 18976 16499 1 20 . 1 1 15 15 PHE H H 15 8.587 8.587 8.181 0.406 18976 16500 1 20 . 1 1 16 16 LYS N N 16 123.715 123.715 121.364 2.351 18976 16501 1 20 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.479 -0.434 18976 16502 1 20 . 1 1 16 16 LYS C C 16 179.327 179.327 177.905 1.422 18976 16503 1 20 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.527 0.343 18976 16504 1 20 . 1 1 16 16 LYS CB C 16 31.573 31.573 32.281 -0.708 18976 16505 1 20 . 1 1 16 16 LYS H H 16 9.256 9.256 8.428 0.828 18976 16506 1 20 . 1 1 17 17 GLU N N 17 120.262 120.262 119.412 0.850 18976 16507 1 20 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.283 -0.127 18976 16508 1 20 . 1 1 17 17 GLU C C 17 179.456 179.456 179.032 0.424 18976 16509 1 20 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.746 0.261 18976 16510 1 20 . 1 1 17 17 GLU CB C 17 28.809 28.809 28.855 -0.046 18976 16511 1 20 . 1 1 17 17 GLU H H 17 7.774 7.774 8.092 -0.318 18976 16512 1 20 . 1 1 18 18 ALA N N 18 122.590 122.590 122.336 0.254 18976 16513 1 20 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.378 -0.063 18976 16514 1 20 . 1 1 18 18 ALA C C 18 179.060 179.060 179.368 -0.308 18976 16515 1 20 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.885 -0.056 18976 16516 1 20 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.502 -0.704 18976 16517 1 20 . 1 1 18 18 ALA H H 18 8.001 8.001 8.001 -0.000 18976 16518 1 20 . 1 1 19 19 PHE N N 19 119.363 119.363 118.971 0.392 18976 16519 1 20 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.240 -0.006 18976 16520 1 20 . 1 1 19 19 PHE C C 19 177.290 177.290 177.163 0.127 18976 16521 1 20 . 1 1 19 19 PHE CA C 19 61.757 61.757 59.032 2.725 18976 16522 1 20 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.672 0.466 18976 16523 1 20 . 1 1 19 19 PHE H H 19 8.859 8.859 8.080 0.779 18976 16524 1 20 . 1 1 20 20 SER N N 20 112.556 112.556 114.863 -2.307 18976 16525 1 20 . 1 1 20 20 SER HA H 20 4.142 4.142 4.042 0.100 18976 16526 1 20 . 1 1 20 20 SER C C 20 174.955 174.955 175.921 -0.966 18976 16527 1 20 . 1 1 20 20 SER CA C 20 61.007 61.007 61.488 -0.481 18976 16528 1 20 . 1 1 20 20 SER CB C 20 62.960 62.960 62.918 0.042 18976 16529 1 20 . 1 1 20 20 SER H H 20 7.934 7.934 7.984 -0.050 18976 16530 1 20 . 1 1 21 21 LEU N N 21 120.816 120.816 122.294 -1.478 18976 16531 1 20 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.103 -0.087 18976 16532 1 20 . 1 1 21 21 LEU C C 21 178.010 178.010 177.894 0.116 18976 16533 1 20 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.514 -0.719 18976 16534 1 20 . 1 1 21 21 LEU CB C 21 41.132 41.132 42.048 -0.916 18976 16535 1 20 . 1 1 21 21 LEU H H 21 7.434 7.434 7.629 -0.195 18976 16536 1 20 . 1 1 22 22 PHE N N 22 115.049 115.049 114.515 0.534 18976 16537 1 20 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.302 -0.058 18976 16538 1 20 . 1 1 22 22 PHE C C 22 176.762 176.762 176.603 0.159 18976 16539 1 20 . 1 1 22 22 PHE CA C 22 59.020 59.020 59.790 -0.770 18976 16540 1 20 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.106 1.624 18976 16541 1 20 . 1 1 22 22 PHE H H 22 7.326 7.326 8.077 -0.751 18976 16542 1 20 . 1 1 23 23 ASP N N 23 117.496 117.496 118.362 -0.866 18976 16543 1 20 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.682 -0.131 18976 16544 1 20 . 1 1 23 23 ASP C C 23 177.167 177.167 176.124 1.043 18976 16545 1 20 . 1 1 23 23 ASP CA C 23 52.041 52.041 54.216 -2.175 18976 16546 1 20 . 1 1 23 23 ASP CB C 23 38.598 38.598 40.516 -1.918 18976 16547 1 20 . 1 1 23 23 ASP H H 23 7.851 7.851 7.813 0.038 18976 16548 1 20 . 1 1 24 24 LYS N N 24 124.470 124.470 125.921 -1.451 18976 16549 1 20 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.194 -0.210 18976 16550 1 20 . 1 1 24 24 LYS C C 24 178.127 178.127 177.894 0.233 18976 16551 1 20 . 1 1 24 24 LYS CA C 24 58.158 58.158 57.657 0.501 18976 16552 1 20 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.927 -0.544 18976 16553 1 20 . 1 1 24 24 LYS H H 24 7.687 7.687 8.593 -0.906 18976 16554 1 20 . 1 1 25 25 ASP N N 25 113.822 113.822 116.894 -3.072 18976 16555 1 20 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.448 0.158 18976 16556 1 20 . 1 1 25 25 ASP C C 25 177.687 177.687 177.596 0.091 18976 16557 1 20 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.501 -2.042 18976 16558 1 20 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.236 -1.044 18976 16559 1 20 . 1 1 25 25 ASP H H 25 8.067 8.067 7.848 0.219 18976 16560 1 20 . 1 1 26 26 GLY N N 26 109.208 109.208 108.457 0.751 18976 16561 1 20 . 1 1 26 26 GLY C C 26 175.132 175.132 175.013 0.119 18976 16562 1 20 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.908 0.966 18976 16563 1 20 . 1 1 26 26 GLY H H 26 7.698 7.698 8.237 -0.539 18976 16564 1 20 . 1 1 27 27 ASP N N 27 120.603 120.603 119.915 0.688 18976 16565 1 20 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.593 -0.070 18976 16566 1 20 . 1 1 27 27 ASP C C 27 177.452 177.452 177.752 -0.300 18976 16567 1 20 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.375 0.118 18976 16568 1 20 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.133 -0.885 18976 16569 1 20 . 1 1 27 27 ASP H H 27 8.397 8.397 8.332 0.065 18976 16570 1 20 . 1 1 28 28 GLY N N 28 113.187 113.187 109.277 3.910 18976 16571 1 20 . 1 1 28 28 GLY C C 28 173.679 173.679 173.580 0.099 18976 16572 1 20 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.236 -0.055 18976 16573 1 20 . 1 1 28 28 GLY H H 28 10.648 10.648 8.033 2.615 18976 16574 1 20 . 1 1 29 29 THR N N 29 112.865 112.865 110.785 2.080 18976 16575 1 20 . 1 1 29 29 THR HA H 29 5.310 5.310 5.412 -0.102 18976 16576 1 20 . 1 1 29 29 THR C C 29 172.872 172.872 173.425 -0.553 18976 16577 1 20 . 1 1 29 29 THR CA C 29 59.764 59.764 60.925 -1.161 18976 16578 1 20 . 1 1 29 29 THR CB C 29 72.319 72.319 71.586 0.733 18976 16579 1 20 . 1 1 29 29 THR H H 29 8.144 8.144 8.249 -0.105 18976 16580 1 20 . 1 1 30 30 ILE N N 30 127.035 127.035 127.183 -0.148 18976 16581 1 20 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.677 0.303 18976 16582 1 20 . 1 1 30 30 ILE C C 30 176.072 176.072 176.714 -0.642 18976 16583 1 20 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.493 -0.349 18976 16584 1 20 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.907 1.395 18976 16585 1 20 . 1 1 30 30 ILE H H 30 9.821 9.821 9.007 0.814 18976 16586 1 20 . 1 1 31 31 THR N N 31 116.509 116.509 119.741 -3.232 18976 16587 1 20 . 1 1 31 31 THR HA H 31 4.800 4.800 4.700 0.100 18976 16588 1 20 . 1 1 31 31 THR C C 31 176.542 176.542 176.491 0.051 18976 16589 1 20 . 1 1 31 31 THR CA C 31 59.396 59.396 61.246 -1.850 18976 16590 1 20 . 1 1 31 31 THR CB C 31 72.162 72.162 70.590 1.572 18976 16591 1 20 . 1 1 31 31 THR H H 31 8.469 8.469 8.627 -0.158 18976 16592 1 20 . 1 1 32 32 THR N N 32 112.790 112.790 115.507 -2.717 18976 16593 1 20 . 1 1 32 32 THR HA H 32 3.803 3.803 3.870 -0.067 18976 16594 1 20 . 1 1 32 32 THR C C 32 177.188 177.188 176.552 0.636 18976 16595 1 20 . 1 1 32 32 THR CA C 32 66.253 66.253 67.010 -0.757 18976 16596 1 20 . 1 1 32 32 THR CB C 32 67.459 67.459 68.544 -1.085 18976 16597 1 20 . 1 1 32 32 THR H H 32 9.128 9.128 9.007 0.121 18976 16598 1 20 . 1 1 33 33 LYS N N 33 120.844 120.844 121.383 -0.539 18976 16599 1 20 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.071 0.077 18976 16600 1 20 . 1 1 33 33 LYS C C 33 179.880 179.880 178.226 1.654 18976 16601 1 20 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.032 -0.093 18976 16602 1 20 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.220 0.015 18976 16603 1 20 . 1 1 33 33 LYS H H 33 7.695 7.695 8.365 -0.670 18976 16604 1 20 . 1 1 34 34 GLU N N 34 121.463 121.463 120.799 0.664 18976 16605 1 20 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.051 0.017 18976 16606 1 20 . 1 1 34 34 GLU C C 34 179.140 179.140 179.140 0.000 18976 16607 1 20 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.102 0.037 18976 16608 1 20 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.535 0.010 18976 16609 1 20 . 1 1 34 34 GLU H H 34 7.687 7.687 7.574 0.113 18976 16610 1 20 . 1 1 35 35 LEU N N 35 120.583 120.583 120.540 0.043 18976 16611 1 20 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.184 -0.061 18976 16612 1 20 . 1 1 35 35 LEU C C 35 178.934 178.934 178.514 0.420 18976 16613 1 20 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.394 0.433 18976 16614 1 20 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.956 0.424 18976 16615 1 20 . 1 1 35 35 LEU H H 35 8.745 8.745 8.483 0.262 18976 16616 1 20 . 1 1 36 36 GLY N N 36 128.127 128.127 105.730 22.397 18976 16617 1 20 . 1 1 36 36 GLY C C 36 175.177 175.177 175.911 -0.734 18976 16618 1 20 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.512 0.491 18976 16619 1 20 . 1 1 36 36 GLY H H 36 8.670 8.670 8.128 0.542 18976 16620 1 20 . 1 1 37 37 THR N N 37 117.925 117.925 118.311 -0.386 18976 16621 1 20 . 1 1 37 37 THR HA H 37 3.938 3.938 3.920 0.018 18976 16622 1 20 . 1 1 37 37 THR C C 37 177.137 177.137 175.819 1.318 18976 16623 1 20 . 1 1 37 37 THR CA C 37 66.648 66.648 65.914 0.734 18976 16624 1 20 . 1 1 37 37 THR CB C 37 68.383 68.383 68.756 -0.373 18976 16625 1 20 . 1 1 37 37 THR H H 37 7.930 7.930 7.799 0.131 18976 16626 1 20 . 1 1 38 38 VAL N N 38 122.046 122.046 121.499 0.547 18976 16627 1 20 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.663 -0.140 18976 16628 1 20 . 1 1 38 38 VAL C C 38 179.243 179.243 177.743 1.500 18976 16629 1 20 . 1 1 38 38 VAL CA C 38 65.962 65.962 66.029 -0.067 18976 16630 1 20 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.378 -0.308 18976 16631 1 20 . 1 1 38 38 VAL H H 38 7.643 7.643 7.211 0.432 18976 16632 1 20 . 1 1 39 39 MET N N 39 118.442 118.442 117.875 0.567 18976 16633 1 20 . 1 1 39 39 MET HA H 39 4.133 4.133 4.067 0.066 18976 16634 1 20 . 1 1 39 39 MET C C 39 179.125 179.125 178.200 0.925 18976 16635 1 20 . 1 1 39 39 MET CA C 39 58.886 58.886 57.939 0.947 18976 16636 1 20 . 1 1 39 39 MET CB C 39 31.211 31.211 31.842 -0.631 18976 16637 1 20 . 1 1 39 39 MET H H 39 8.497 8.497 7.870 0.627 18976 16638 1 20 . 1 1 40 40 ARG N N 40 118.929 118.929 119.319 -0.390 18976 16639 1 20 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.140 0.693 18976 16640 1 20 . 1 1 40 40 ARG C C 40 181.224 181.224 179.125 2.099 18976 16641 1 20 . 1 1 40 40 ARG CA C 40 58.886 58.886 58.974 -0.088 18976 16642 1 20 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.008 -1.173 18976 16643 1 20 . 1 1 40 40 ARG H H 40 8.536 8.536 7.923 0.613 18976 16644 1 20 . 1 1 41 41 SER N N 41 118.832 118.832 117.195 1.637 18976 16645 1 20 . 1 1 41 41 SER HA H 41 4.425 4.425 4.269 0.156 18976 16646 1 20 . 1 1 41 41 SER C C 41 174.839 174.839 175.497 -0.658 18976 16647 1 20 . 1 1 41 41 SER CA C 41 61.249 61.249 61.472 -0.223 18976 16648 1 20 . 1 1 41 41 SER CB C 41 62.464 62.464 62.816 -0.352 18976 16649 1 20 . 1 1 41 41 SER H H 41 7.925 7.925 7.779 0.146 18976 16650 1 20 . 1 1 42 42 LEU N N 42 120.676 120.676 119.896 0.780 18976 16651 1 20 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.457 0.060 18976 16652 1 20 . 1 1 42 42 LEU C C 42 177.540 177.540 177.373 0.167 18976 16653 1 20 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.339 -0.107 18976 16654 1 20 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.446 0.224 18976 16655 1 20 . 1 1 42 42 LEU H H 42 7.395 7.395 7.462 -0.067 18976 16656 1 20 . 1 1 43 43 GLY N N 43 106.840 106.840 107.561 -0.721 18976 16657 1 20 . 1 1 43 43 GLY C C 43 174.384 174.384 174.062 0.322 18976 16658 1 20 . 1 1 43 43 GLY CA C 43 45.308 45.308 45.207 0.101 18976 16659 1 20 . 1 1 43 43 GLY H H 43 7.885 7.885 7.547 0.338 18976 16660 1 20 . 1 1 44 44 GLN N N 44 118.414 118.414 122.662 -4.248 18976 16661 1 20 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.236 0.266 18976 16662 1 20 . 1 1 44 44 GLN C C 44 174.134 174.134 175.350 -1.216 18976 16663 1 20 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.792 -0.608 18976 16664 1 20 . 1 1 44 44 GLN CB C 44 30.274 30.274 28.887 1.387 18976 16665 1 20 . 1 1 44 44 GLN H H 44 7.805 7.805 7.707 0.098 18976 16666 1 20 . 1 1 45 45 ASN N N 45 116.265 116.265 127.292 -11.027 18976 16667 1 20 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.877 0.325 18976 16668 1 20 . 1 1 45 45 ASN CA C 45 50.957 50.957 52.336 -1.379 18976 16669 1 20 . 1 1 45 45 ASN CB C 45 38.909 38.909 38.231 0.678 18976 16670 1 20 . 1 1 45 45 ASN H H 45 8.733 8.733 8.277 0.456 18976 16671 1 20 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.879 -0.092 18976 16672 1 20 . 1 1 46 46 PRO C C 46 177.745 177.745 176.238 1.507 18976 16673 1 20 . 1 1 46 46 PRO CA C 46 62.105 62.105 61.925 0.180 18976 16674 1 20 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.019 -1.316 18976 16675 1 20 . 1 1 47 47 THR N N 47 112.958 112.958 111.442 1.516 18976 16676 1 20 . 1 1 47 47 THR HA H 47 4.451 4.451 4.557 -0.106 18976 16677 1 20 . 1 1 47 47 THR C C 47 175.159 175.159 175.783 -0.624 18976 16678 1 20 . 1 1 47 47 THR CA C 47 60.078 60.078 59.889 0.189 18976 16679 1 20 . 1 1 47 47 THR CB C 47 71.001 71.001 71.574 -0.573 18976 16680 1 20 . 1 1 47 47 THR H H 47 8.767 8.767 8.179 0.588 18976 16681 1 20 . 1 1 48 48 GLU N N 48 120.607 120.607 124.738 -4.131 18976 16682 1 20 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.822 0.184 18976 16683 1 20 . 1 1 48 48 GLU C C 48 178.949 178.949 178.218 0.731 18976 16684 1 20 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.933 -0.192 18976 16685 1 20 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.305 -0.613 18976 16686 1 20 . 1 1 48 48 GLU H H 48 8.824 8.824 9.065 -0.241 18976 16687 1 20 . 1 1 49 49 ALA N N 49 120.678 120.678 121.467 -0.789 18976 16688 1 20 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.128 -0.009 18976 16689 1 20 . 1 1 49 49 ALA C C 49 180.226 180.226 179.294 0.932 18976 16690 1 20 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.843 -0.127 18976 16691 1 20 . 1 1 49 49 ALA CB C 49 17.873 17.873 17.942 -0.069 18976 16692 1 20 . 1 1 49 49 ALA H H 49 8.279 8.279 8.143 0.136 18976 16693 1 20 . 1 1 50 50 GLU N N 50 118.703 118.703 119.334 -0.631 18976 16694 1 20 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.216 -0.164 18976 16695 1 20 . 1 1 50 50 GLU C C 50 180.182 180.182 179.035 1.147 18976 16696 1 20 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.007 -0.150 18976 16697 1 20 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.831 -0.463 18976 16698 1 20 . 1 1 50 50 GLU H H 50 7.712 7.712 7.582 0.130 18976 16699 1 20 . 1 1 51 51 LEU N N 51 120.420 120.420 118.263 2.157 18976 16700 1 20 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.361 -0.267 18976 16701 1 20 . 1 1 51 51 LEU C C 51 178.494 178.494 179.301 -0.807 18976 16702 1 20 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.100 1.579 18976 16703 1 20 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.789 1.267 18976 16704 1 20 . 1 1 51 51 LEU H H 51 8.192 8.192 7.699 0.493 18976 16705 1 20 . 1 1 52 52 GLN N N 52 118.200 118.200 120.749 -2.549 18976 16706 1 20 . 1 1 52 52 GLN HA H 52 3.838 3.838 4.066 -0.228 18976 16707 1 20 . 1 1 52 52 GLN C C 52 178.518 178.518 177.673 0.845 18976 16708 1 20 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.841 -0.644 18976 16709 1 20 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.319 -0.415 18976 16710 1 20 . 1 1 52 52 GLN H H 52 8.212 8.212 7.745 0.467 18976 16711 1 20 . 1 1 53 53 ASP N N 53 119.922 119.922 117.921 2.001 18976 16712 1 20 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.479 -0.049 18976 16713 1 20 . 1 1 53 53 ASP C C 53 178.635 178.635 178.088 0.547 18976 16714 1 20 . 1 1 53 53 ASP CA C 53 57.262 57.262 56.693 0.569 18976 16715 1 20 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.428 -0.466 18976 16716 1 20 . 1 1 53 53 ASP H H 53 8.108 8.108 7.750 0.358 18976 16717 1 20 . 1 1 54 54 MET N N 54 119.290 119.290 119.441 -0.151 18976 16718 1 20 . 1 1 54 54 MET HA H 54 4.044 4.044 4.125 -0.081 18976 16719 1 20 . 1 1 54 54 MET C C 54 178.876 178.876 178.909 -0.033 18976 16720 1 20 . 1 1 54 54 MET CA C 54 59.108 59.108 58.914 0.194 18976 16721 1 20 . 1 1 54 54 MET CB C 54 32.930 32.930 32.458 0.472 18976 16722 1 20 . 1 1 54 54 MET H H 54 7.865 7.865 7.394 0.471 18976 16723 1 20 . 1 1 55 55 ILE N N 55 118.056 118.056 120.018 -1.962 18976 16724 1 20 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.633 -0.118 18976 16725 1 20 . 1 1 55 55 ILE C C 55 177.760 177.760 177.591 0.169 18976 16726 1 20 . 1 1 55 55 ILE CA C 55 64.480 64.480 65.155 -0.675 18976 16727 1 20 . 1 1 55 55 ILE CB C 55 36.980 36.980 37.852 -0.872 18976 16728 1 20 . 1 1 55 55 ILE H H 55 7.710 7.710 7.770 -0.060 18976 16729 1 20 . 1 1 56 56 ASN N N 56 117.688 117.688 117.980 -0.292 18976 16730 1 20 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.459 -0.067 18976 16731 1 20 . 1 1 56 56 ASN C C 56 177.393 177.393 177.447 -0.054 18976 16732 1 20 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.716 -0.130 18976 16733 1 20 . 1 1 56 56 ASN CB C 56 37.655 37.655 37.929 -0.274 18976 16734 1 20 . 1 1 56 56 ASN H H 56 8.606 8.606 7.938 0.668 18976 16735 1 20 . 1 1 57 57 GLU N N 57 116.316 116.316 117.930 -1.614 18976 16736 1 20 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.162 -0.118 18976 16737 1 20 . 1 1 57 57 GLU C C 57 177.569 177.569 178.068 -0.499 18976 16738 1 20 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.451 0.181 18976 16739 1 20 . 1 1 57 57 GLU CB C 57 30.099 30.099 29.752 0.347 18976 16740 1 20 . 1 1 57 57 GLU H H 57 7.580 7.580 7.879 -0.299 18976 16741 1 20 . 1 1 58 58 VAL N N 58 108.390 108.390 113.462 -5.072 18976 16742 1 20 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.120 0.362 18976 16743 1 20 . 1 1 58 58 VAL C C 58 175.749 175.749 176.102 -0.353 18976 16744 1 20 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.497 -2.080 18976 16745 1 20 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.370 -0.004 18976 16746 1 20 . 1 1 58 58 VAL H H 58 7.219 7.219 7.302 -0.083 18976 16747 1 20 . 1 1 59 59 ASP N N 59 121.728 121.728 120.055 1.673 18976 16748 1 20 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.711 -0.069 18976 16749 1 20 . 1 1 59 59 ASP C C 59 176.219 176.219 175.572 0.647 18976 16750 1 20 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.528 -1.060 18976 16751 1 20 . 1 1 59 59 ASP CB C 59 39.865 39.865 42.208 -2.343 18976 16752 1 20 . 1 1 59 59 ASP H H 59 7.674 7.674 7.843 -0.169 18976 16753 1 20 . 1 1 60 60 ALA N N 60 109.214 109.214 128.995 -19.781 18976 16754 1 20 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.171 0.045 18976 16755 1 20 . 1 1 60 60 ALA C C 60 178.626 178.626 178.517 0.109 18976 16756 1 20 . 1 1 60 60 ALA CA C 60 53.985 53.985 53.722 0.263 18976 16757 1 20 . 1 1 60 60 ALA CB C 60 19.146 19.146 20.062 -0.916 18976 16758 1 20 . 1 1 60 60 ALA H H 60 8.481 8.481 8.487 -0.006 18976 16759 1 20 . 1 1 61 61 ASP N N 61 113.667 113.667 116.349 -2.682 18976 16760 1 20 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.477 0.146 18976 16761 1 20 . 1 1 61 61 ASP C C 61 177.848 177.848 177.960 -0.112 18976 16762 1 20 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.160 -1.749 18976 16763 1 20 . 1 1 61 61 ASP CB C 61 39.551 39.551 41.014 -1.463 18976 16764 1 20 . 1 1 61 61 ASP H H 61 8.158 8.158 7.980 0.178 18976 16765 1 20 . 1 1 62 62 GLY N N 62 108.314 108.314 108.858 -0.544 18976 16766 1 20 . 1 1 62 62 GLY C C 62 174.933 174.933 175.551 -0.618 18976 16767 1 20 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.792 1.150 18976 16768 1 20 . 1 1 62 62 GLY H H 62 7.585 7.585 8.372 -0.787 18976 16769 1 20 . 1 1 63 63 ASN N N 63 118.384 118.384 118.585 -0.201 18976 16770 1 20 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.663 -0.006 18976 16771 1 20 . 1 1 63 63 ASN C C 63 176.835 176.835 176.673 0.162 18976 16772 1 20 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.874 -0.651 18976 16773 1 20 . 1 1 63 63 ASN CB C 63 37.366 37.366 38.843 -1.477 18976 16774 1 20 . 1 1 63 63 ASN H H 63 8.086 8.086 8.697 -0.611 18976 16775 1 20 . 1 1 64 64 GLY N N 64 113.412 113.412 109.926 3.486 18976 16776 1 20 . 1 1 64 64 GLY C C 64 173.254 173.254 173.684 -0.430 18976 16777 1 20 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.757 -0.360 18976 16778 1 20 . 1 1 64 64 GLY H H 64 10.618 10.618 8.091 2.527 18976 16779 1 20 . 1 1 65 65 THR N N 65 108.877 108.877 113.700 -4.823 18976 16780 1 20 . 1 1 65 65 THR HA H 65 4.766 4.766 4.748 0.018 18976 16781 1 20 . 1 1 65 65 THR C C 65 173.195 173.195 173.426 -0.231 18976 16782 1 20 . 1 1 65 65 THR CA C 65 59.301 59.301 60.927 -1.626 18976 16783 1 20 . 1 1 65 65 THR CB C 65 71.695 71.695 72.368 -0.673 18976 16784 1 20 . 1 1 65 65 THR H H 65 7.684 7.684 8.026 -0.342 18976 16785 1 20 . 1 1 66 66 ILE N N 66 123.673 123.673 124.721 -1.048 18976 16786 1 20 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.382 0.808 18976 16787 1 20 . 1 1 66 66 ILE C C 66 175.529 175.529 175.322 0.207 18976 16788 1 20 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.327 -1.643 18976 16789 1 20 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.540 0.877 18976 16790 1 20 . 1 1 66 66 ILE H H 66 8.912 8.912 8.279 0.633 18976 16791 1 20 . 1 1 67 67 ASP N N 67 128.135 128.135 127.861 0.274 18976 16792 1 20 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.127 0.257 18976 16793 1 20 . 1 1 67 67 ASP C C 67 176.322 176.322 176.759 -0.437 18976 16794 1 20 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.776 -1.933 18976 16795 1 20 . 1 1 67 67 ASP CB C 67 41.787 41.787 42.531 -0.744 18976 16796 1 20 . 1 1 67 67 ASP H H 67 8.824 8.824 8.589 0.235 18976 16797 1 20 . 1 1 68 68 PHE N N 68 118.627 118.627 122.717 -4.090 18976 16798 1 20 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.194 0.830 18976 16799 1 20 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.749 0.421 18976 16800 1 20 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.811 -1.210 18976 16801 1 20 . 1 1 68 68 PHE H H 68 8.943 8.943 9.131 -0.188 18976 16802 1 20 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.922 -0.046 18976 16803 1 20 . 1 1 69 69 PRO C C 69 180.037 180.037 178.298 1.739 18976 16804 1 20 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.416 0.976 18976 16805 1 20 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.892 -0.518 18976 16806 1 20 . 1 1 70 70 GLU N N 70 117.615 117.615 118.530 -0.915 18976 16807 1 20 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.232 -0.124 18976 16808 1 20 . 1 1 70 70 GLU C C 70 178.773 178.773 178.810 -0.037 18976 16809 1 20 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.023 0.543 18976 16810 1 20 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.333 -0.307 18976 16811 1 20 . 1 1 70 70 GLU H H 70 7.969 7.969 7.649 0.320 18976 16812 1 20 . 1 1 71 71 PHE N N 71 123.460 123.460 122.252 1.208 18976 16813 1 20 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.131 -0.157 18976 16814 1 20 . 1 1 71 71 PHE C C 71 177.041 177.041 176.296 0.745 18976 16815 1 20 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.044 -0.017 18976 16816 1 20 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.151 0.556 18976 16817 1 20 . 1 1 71 71 PHE H H 71 8.861 8.861 8.057 0.804 18976 16818 1 20 . 1 1 72 72 LEU N N 72 118.749 118.749 119.138 -0.389 18976 16819 1 20 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.261 0.107 18976 16820 1 20 . 1 1 72 72 LEU C C 72 178.949 178.949 178.928 0.021 18976 16821 1 20 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.837 -0.241 18976 16822 1 20 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.227 0.515 18976 16823 1 20 . 1 1 72 72 LEU H H 72 8.411 8.411 7.791 0.620 18976 16824 1 20 . 1 1 73 73 THR N N 73 115.213 115.213 108.603 6.610 18976 16825 1 20 . 1 1 73 73 THR HA H 73 3.753 3.753 3.902 -0.149 18976 16826 1 20 . 1 1 73 73 THR C C 73 175.955 175.955 176.395 -0.440 18976 16827 1 20 . 1 1 73 73 THR CA C 73 66.313 66.313 64.418 1.895 18976 16828 1 20 . 1 1 73 73 THR CB C 73 68.075 68.075 68.899 -0.824 18976 16829 1 20 . 1 1 73 73 THR H H 73 7.522 7.522 7.506 0.016 18976 16830 1 20 . 1 1 74 74 MET N N 74 121.455 121.455 121.882 -0.427 18976 16831 1 20 . 1 1 74 74 MET HA H 74 3.773 3.773 4.282 -0.509 18976 16832 1 20 . 1 1 74 74 MET C C 74 178.098 178.098 177.168 0.930 18976 16833 1 20 . 1 1 74 74 MET CA C 74 58.603 58.603 57.589 1.014 18976 16834 1 20 . 1 1 74 74 MET CB C 74 32.905 32.905 32.728 0.177 18976 16835 1 20 . 1 1 74 74 MET H H 74 7.783 7.783 7.327 0.456 18976 16836 1 20 . 1 1 75 75 MET N N 75 116.557 116.557 117.698 -1.141 18976 16837 1 20 . 1 1 75 75 MET HA H 75 3.998 3.998 4.112 -0.114 18976 16838 1 20 . 1 1 75 75 MET C C 75 178.700 178.700 177.898 0.802 18976 16839 1 20 . 1 1 75 75 MET CA C 75 55.472 55.472 57.821 -2.349 18976 16840 1 20 . 1 1 75 75 MET CB C 75 30.693 30.693 30.704 -0.011 18976 16841 1 20 . 1 1 75 75 MET H H 75 8.077 8.077 7.995 0.082 18976 16842 1 20 . 1 1 76 76 ALA N N 76 122.410 122.410 121.659 0.751 18976 16843 1 20 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.908 0.181 18976 16844 1 20 . 1 1 76 76 ALA C C 76 179.683 179.683 178.973 0.710 18976 16845 1 20 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.910 -0.534 18976 16846 1 20 . 1 1 76 76 ALA CB C 76 17.779 17.779 17.820 -0.041 18976 16847 1 20 . 1 1 76 76 ALA H H 76 8.303 8.303 7.415 0.888 18976 16848 1 20 . 1 1 77 77 ARG N N 77 116.451 116.451 117.939 -1.488 18976 16849 1 20 . 1 1 77 77 ARG HA H 77 4.102 4.102 3.962 0.140 18976 16850 1 20 . 1 1 77 77 ARG C C 77 177.701 177.701 177.657 0.044 18976 16851 1 20 . 1 1 77 77 ARG CA C 77 58.042 58.042 59.252 -1.210 18976 16852 1 20 . 1 1 77 77 ARG CB C 77 30.008 30.008 29.944 0.064 18976 16853 1 20 . 1 1 77 77 ARG H H 77 7.622 7.622 8.120 -0.498 18976 16854 1 20 . 1 1 78 78 LYS N N 78 118.021 118.021 118.879 -0.858 18976 16855 1 20 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.152 0.087 18976 16856 1 20 . 1 1 78 78 LYS C C 78 177.525 177.525 178.621 -1.096 18976 16857 1 20 . 1 1 78 78 LYS CA C 78 56.721 56.721 58.538 -1.817 18976 16858 1 20 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.422 -0.209 18976 16859 1 20 . 1 1 78 78 LYS H H 78 7.577 7.577 7.525 0.052 18976 16860 1 20 . 1 1 79 79 MET N N 79 118.929 118.929 118.397 0.532 18976 16861 1 20 . 1 1 79 79 MET HA H 79 4.351 4.351 4.260 0.091 18976 16862 1 20 . 1 1 79 79 MET C C 79 176.322 176.322 176.575 -0.253 18976 16863 1 20 . 1 1 79 79 MET CA C 79 56.345 56.345 57.749 -1.404 18976 16864 1 20 . 1 1 79 79 MET CB C 79 32.946 32.946 33.386 -0.440 18976 16865 1 20 . 1 1 79 79 MET H H 79 7.772 7.772 7.769 0.003 18976 16866 1 20 . 1 1 80 80 LYS N N 80 120.686 120.686 116.221 4.465 18976 16867 1 20 . 1 1 80 80 LYS HA H 80 4.327 4.327 3.944 0.383 18976 16868 1 20 . 1 1 80 80 LYS C C 80 176.395 176.395 176.042 0.353 18976 16869 1 20 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.237 -1.093 18976 16870 1 20 . 1 1 80 80 LYS CB C 80 32.808 32.808 30.553 2.255 18976 16871 1 20 . 1 1 80 80 LYS H H 80 7.955 7.955 7.817 0.138 18976 16872 1 20 . 1 1 81 81 ASP N N 81 121.721 121.721 117.824 3.897 18976 16873 1 20 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.526 0.163 18976 16874 1 20 . 1 1 81 81 ASP C C 81 176.644 176.644 177.496 -0.852 18976 16875 1 20 . 1 1 81 81 ASP CA C 81 54.286 54.286 56.190 -1.904 18976 16876 1 20 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.288 -0.496 18976 16877 1 20 . 1 1 81 81 ASP H H 81 8.341 8.341 8.573 -0.232 18976 16878 1 20 . 1 1 82 82 THR N N 82 114.594 114.594 114.364 0.230 18976 16879 1 20 . 1 1 82 82 THR HA H 82 4.323 4.323 4.219 0.104 18976 16880 1 20 . 1 1 82 82 THR C C 82 174.584 174.584 176.158 -1.574 18976 16881 1 20 . 1 1 82 82 THR CA C 82 61.955 61.955 65.384 -3.429 18976 16882 1 20 . 1 1 82 82 THR CB C 82 69.586 69.586 69.105 0.481 18976 16883 1 20 . 1 1 82 82 THR H H 82 8.123 8.123 8.472 -0.349 18976 16884 1 20 . 1 1 83 83 ASP N N 83 123.126 123.126 122.620 0.506 18976 16885 1 20 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.314 0.385 18976 16886 1 20 . 1 1 83 83 ASP C C 83 176.674 176.674 177.755 -1.081 18976 16887 1 20 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.913 -2.422 18976 16888 1 20 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.589 0.451 18976 16889 1 20 . 1 1 83 83 ASP H H 83 8.439 8.439 8.846 -0.407 18976 16890 1 20 . 1 1 84 84 SER N N 84 116.982 116.982 114.710 2.272 18976 16891 1 20 . 1 1 84 84 SER HA H 84 4.458 4.458 4.079 0.379 18976 16892 1 20 . 1 1 84 84 SER C C 84 175.393 175.393 176.253 -0.860 18976 16893 1 20 . 1 1 84 84 SER CA C 84 58.943 58.943 61.758 -2.815 18976 16894 1 20 . 1 1 84 84 SER CB C 84 63.550 63.550 62.837 0.713 18976 16895 1 20 . 1 1 84 84 SER H H 84 8.418 8.418 8.382 0.036 18976 16896 1 20 . 1 1 85 85 GLU N N 85 122.632 122.632 121.497 1.135 18976 16897 1 20 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.161 0.050 18976 16898 1 20 . 1 1 85 85 GLU C C 85 177.716 177.716 178.832 -1.116 18976 16899 1 20 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.030 -0.491 18976 16900 1 20 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.763 0.464 18976 16901 1 20 . 1 1 85 85 GLU H H 85 8.504 8.504 8.070 0.434 18976 16902 1 20 . 1 1 86 86 GLU N N 86 119.077 119.077 119.123 -0.046 18976 16903 1 20 . 1 1 86 86 GLU HA H 86 4.061 4.061 3.976 0.085 18976 16904 1 20 . 1 1 86 86 GLU C C 86 178.885 178.885 179.012 -0.127 18976 16905 1 20 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.630 0.735 18976 16906 1 20 . 1 1 86 86 GLU CB C 86 29.065 29.065 28.967 0.098 18976 16907 1 20 . 1 1 86 86 GLU H H 86 8.333 8.333 7.806 0.527 18976 16908 1 20 . 1 1 87 87 GLU N N 87 119.138 119.138 121.119 -1.981 18976 16909 1 20 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.084 0.062 18976 16910 1 20 . 1 1 87 87 GLU C C 87 179.823 179.823 178.852 0.971 18976 16911 1 20 . 1 1 87 87 GLU CA C 87 58.910 58.910 58.627 0.283 18976 16912 1 20 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.360 -0.094 18976 16913 1 20 . 1 1 87 87 GLU H H 87 8.130 8.130 7.585 0.545 18976 16914 1 20 . 1 1 88 88 LEU N N 88 122.103 122.103 120.623 1.480 18976 16915 1 20 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.142 0.249 18976 16916 1 20 . 1 1 88 88 LEU C C 88 178.905 178.905 178.936 -0.031 18976 16917 1 20 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.754 -0.038 18976 16918 1 20 . 1 1 88 88 LEU CB C 88 41.861 41.861 42.051 -0.190 18976 16919 1 20 . 1 1 88 88 LEU H H 88 8.152 8.152 8.025 0.127 18976 16920 1 20 . 1 1 89 89 ARG N N 89 120.092 120.092 117.889 2.203 18976 16921 1 20 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.037 0.013 18976 16922 1 20 . 1 1 89 89 ARG C C 89 179.507 179.507 179.020 0.487 18976 16923 1 20 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.382 0.029 18976 16924 1 20 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.845 -0.385 18976 16925 1 20 . 1 1 89 89 ARG H H 89 8.499 8.499 8.451 0.048 18976 16926 1 20 . 1 1 90 90 GLU N N 90 119.315 119.315 120.538 -1.223 18976 16927 1 20 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.156 0.011 18976 16928 1 20 . 1 1 90 90 GLU C C 90 178.068 178.068 177.763 0.305 18976 16929 1 20 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.090 -0.500 18976 16930 1 20 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.187 -0.258 18976 16931 1 20 . 1 1 90 90 GLU H H 90 8.040 8.040 8.092 -0.052 18976 16932 1 20 . 1 1 91 91 ALA N N 91 121.794 121.794 121.769 0.025 18976 16933 1 20 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.220 -0.009 18976 16934 1 20 . 1 1 91 91 ALA C C 91 179.855 179.855 179.713 0.142 18976 16935 1 20 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.684 0.042 18976 16936 1 20 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.357 -0.787 18976 16937 1 20 . 1 1 91 91 ALA H H 91 7.996 7.996 7.629 0.367 18976 16938 1 20 . 1 1 92 92 PHE N N 92 119.368 119.368 119.601 -0.233 18976 16939 1 20 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.533 -0.403 18976 16940 1 20 . 1 1 92 92 PHE C C 92 176.454 176.454 176.644 -0.190 18976 16941 1 20 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.846 0.386 18976 16942 1 20 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.313 -0.386 18976 16943 1 20 . 1 1 92 92 PHE H H 92 8.360 8.360 8.423 -0.063 18976 16944 1 20 . 1 1 93 93 ARG N N 93 117.178 117.178 120.271 -3.093 18976 16945 1 20 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.888 -0.023 18976 16946 1 20 . 1 1 93 93 ARG C C 93 178.421 178.421 178.143 0.278 18976 16947 1 20 . 1 1 93 93 ARG CA C 93 58.841 58.841 59.323 -0.482 18976 16948 1 20 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.113 -0.207 18976 16949 1 20 . 1 1 93 93 ARG H H 93 7.895 7.895 7.632 0.263 18976 16950 1 20 . 1 1 94 94 VAL N N 94 115.719 115.719 117.574 -1.855 18976 16951 1 20 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.602 -0.002 18976 16952 1 20 . 1 1 94 94 VAL C C 94 177.334 177.334 177.548 -0.214 18976 16953 1 20 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.432 -0.400 18976 16954 1 20 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.627 -0.083 18976 16955 1 20 . 1 1 94 94 VAL H H 94 7.541 7.541 7.503 0.038 18976 16956 1 20 . 1 1 95 95 GLU N N 95 117.921 117.921 116.585 1.336 18976 16957 1 20 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.162 -0.154 18976 16958 1 20 . 1 1 95 95 GLU C C 95 176.953 176.953 177.009 -0.056 18976 16959 1 20 . 1 1 95 95 GLU CA C 95 58.256 58.256 57.548 0.708 18976 16960 1 20 . 1 1 95 95 GLU CB C 95 28.687 28.687 30.311 -1.624 18976 16961 1 20 . 1 1 95 95 GLU H H 95 7.011 7.011 7.616 -0.605 18976 16962 1 20 . 1 1 96 96 ASP N N 96 117.365 117.365 119.678 -2.313 18976 16963 1 20 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.923 -0.473 18976 16964 1 20 . 1 1 96 96 ASP C C 96 177.202 177.202 175.840 1.362 18976 16965 1 20 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.656 -1.183 18976 16966 1 20 . 1 1 96 96 ASP CB C 96 38.074 38.074 39.626 -1.552 18976 16967 1 20 . 1 1 96 96 ASP H H 96 7.626 7.626 7.815 -0.189 18976 16968 1 20 . 1 1 97 97 LYS N N 97 124.733 124.733 122.416 2.317 18976 16969 1 20 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.012 -0.111 18976 16970 1 20 . 1 1 97 97 LYS C C 97 178.333 178.333 177.913 0.420 18976 16971 1 20 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.021 0.584 18976 16972 1 20 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.267 0.163 18976 16973 1 20 . 1 1 97 97 LYS H H 97 7.357 7.357 7.644 -0.287 18976 16974 1 20 . 1 1 98 98 ASP N N 98 114.048 114.048 116.445 -2.397 18976 16975 1 20 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.461 0.107 18976 16976 1 20 . 1 1 98 98 ASP C C 98 177.775 177.775 177.382 0.393 18976 16977 1 20 . 1 1 98 98 ASP CA C 98 52.657 52.657 53.617 -0.960 18976 16978 1 20 . 1 1 98 98 ASP CB C 98 39.593 39.593 39.824 -0.231 18976 16979 1 20 . 1 1 98 98 ASP H H 98 8.352 8.352 7.799 0.553 18976 16980 1 20 . 1 1 99 99 GLY N N 99 109.454 109.454 108.575 0.879 18976 16981 1 20 . 1 1 99 99 GLY C C 99 175.082 175.082 175.465 -0.383 18976 16982 1 20 . 1 1 99 99 GLY CA C 99 46.827 46.827 46.108 0.719 18976 16983 1 20 . 1 1 99 99 GLY H H 99 7.828 7.828 7.597 0.231 18976 16984 1 20 . 1 1 100 100 ASN N N 100 119.607 119.607 118.983 0.624 18976 16985 1 20 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.610 0.025 18976 16986 1 20 . 1 1 100 100 ASN C C 100 175.969 175.969 176.681 -0.712 18976 16987 1 20 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.721 -0.238 18976 16988 1 20 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.161 -1.280 18976 16989 1 20 . 1 1 100 100 ASN H H 100 8.334 8.334 8.422 -0.088 18976 16990 1 20 . 1 1 101 101 GLY N N 101 113.007 113.007 108.340 4.667 18976 16991 1 20 . 1 1 101 101 GLY C C 101 172.314 172.314 173.037 -0.723 18976 16992 1 20 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.200 -0.518 18976 16993 1 20 . 1 1 101 101 GLY H H 101 10.640 10.640 8.604 2.036 18976 16994 1 20 . 1 1 102 102 TYR N N 102 115.913 115.913 114.627 1.286 18976 16995 1 20 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.548 -0.362 18976 16996 1 20 . 1 1 102 102 TYR C C 102 174.736 174.736 173.576 1.160 18976 16997 1 20 . 1 1 102 102 TYR CA C 102 55.662 55.662 55.560 0.102 18976 16998 1 20 . 1 1 102 102 TYR CB C 102 42.801 42.801 40.808 1.993 18976 16999 1 20 . 1 1 102 102 TYR H H 102 7.610 7.610 7.972 -0.362 18976 17000 1 20 . 1 1 103 103 ILE N N 103 127.698 127.698 123.462 4.236 18976 17001 1 20 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.644 0.172 18976 17002 1 20 . 1 1 103 103 ILE C C 103 175.634 175.634 175.857 -0.223 18976 17003 1 20 . 1 1 103 103 ILE CA C 103 60.438 60.438 60.430 0.008 18976 17004 1 20 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.586 -0.667 18976 17005 1 20 . 1 1 103 103 ILE H H 103 10.228 10.228 8.408 1.820 18976 17006 1 20 . 1 1 104 104 SER N N 104 123.581 123.581 120.574 3.007 18976 17007 1 20 . 1 1 104 104 SER HA H 104 4.849 4.849 5.172 -0.323 18976 17008 1 20 . 1 1 104 104 SER C C 104 175.191 175.191 174.733 0.458 18976 17009 1 20 . 1 1 104 104 SER CA C 104 55.499 55.499 55.239 0.260 18976 17010 1 20 . 1 1 104 104 SER CB C 104 66.371 66.371 65.832 0.539 18976 17011 1 20 . 1 1 104 104 SER H H 104 8.947 8.947 8.022 0.925 18976 17012 1 20 . 1 1 105 105 ALA N N 105 122.829 122.829 124.736 -1.907 18976 17013 1 20 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.017 -0.088 18976 17014 1 20 . 1 1 105 105 ALA C C 105 179.272 179.272 179.008 0.264 18976 17015 1 20 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.931 -0.271 18976 17016 1 20 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.720 -1.037 18976 17017 1 20 . 1 1 105 105 ALA H H 105 9.251 9.251 9.050 0.201 18976 17018 1 20 . 1 1 106 106 ALA N N 106 118.442 118.442 120.952 -2.510 18976 17019 1 20 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.971 0.066 18976 17020 1 20 . 1 1 106 106 ALA C C 106 181.180 181.180 179.142 2.038 18976 17021 1 20 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.739 0.102 18976 17022 1 20 . 1 1 106 106 ALA CB C 106 18.043 18.043 17.972 0.071 18976 17023 1 20 . 1 1 106 106 ALA H H 106 8.209 8.209 8.581 -0.372 18976 17024 1 20 . 1 1 107 107 GLU N N 107 118.406 118.406 118.542 -0.136 18976 17025 1 20 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.071 -0.079 18976 17026 1 20 . 1 1 107 107 GLU C C 107 179.272 179.272 178.724 0.548 18976 17027 1 20 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.727 0.414 18976 17028 1 20 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.387 -0.631 18976 17029 1 20 . 1 1 107 107 GLU H H 107 7.752 7.752 7.816 -0.064 18976 17030 1 20 . 1 1 108 108 LEU N N 108 122.413 122.413 120.031 2.382 18976 17031 1 20 . 1 1 108 108 LEU HA H 108 4.072 4.072 4.010 0.062 18976 17032 1 20 . 1 1 108 108 LEU C C 108 178.553 178.553 178.963 -0.410 18976 17033 1 20 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.714 -0.422 18976 17034 1 20 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.688 -0.245 18976 17035 1 20 . 1 1 108 108 LEU H H 108 8.793 8.793 8.005 0.788 18976 17036 1 20 . 1 1 109 109 ARG N N 109 118.074 118.074 118.759 -0.685 18976 17037 1 20 . 1 1 109 109 ARG HA H 109 3.857 3.857 4.006 -0.149 18976 17038 1 20 . 1 1 109 109 ARG C C 109 179.140 179.140 178.887 0.253 18976 17039 1 20 . 1 1 109 109 ARG CA C 109 59.786 59.786 58.598 1.188 18976 17040 1 20 . 1 1 109 109 ARG CB C 109 29.824 29.824 29.579 0.245 18976 17041 1 20 . 1 1 109 109 ARG H H 109 8.421 8.421 8.000 0.421 18976 17042 1 20 . 1 1 110 110 ILE N N 110 120.191 120.191 117.349 2.842 18976 17043 1 20 . 1 1 110 110 ILE HA H 110 3.787 3.787 4.210 -0.423 18976 17044 1 20 . 1 1 110 110 ILE C C 110 177.804 177.804 178.255 -0.451 18976 17045 1 20 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.590 0.963 18976 17046 1 20 . 1 1 110 110 ILE CB C 110 38.058 38.058 37.615 0.442 18976 17047 1 20 . 1 1 110 110 ILE H H 110 7.401 7.401 7.279 0.122 18976 17048 1 20 . 1 1 111 111 VAL N N 111 120.330 120.330 121.586 -1.256 18976 17049 1 20 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.546 0.217 18976 17050 1 20 . 1 1 111 111 VAL C C 111 178.802 178.802 178.267 0.535 18976 17051 1 20 . 1 1 111 111 VAL CA C 111 65.690 65.690 66.467 -0.777 18976 17052 1 20 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.532 0.060 18976 17053 1 20 . 1 1 111 111 VAL H H 111 7.907 7.907 7.459 0.448 18976 17054 1 20 . 1 1 112 112 MET N N 112 116.794 116.794 117.389 -0.595 18976 17055 1 20 . 1 1 112 112 MET HA H 112 4.396 4.396 4.329 0.067 18976 17056 1 20 . 1 1 112 112 MET C C 112 178.890 178.890 178.586 0.304 18976 17057 1 20 . 1 1 112 112 MET CA C 112 56.719 56.719 57.028 -0.309 18976 17058 1 20 . 1 1 112 112 MET CB C 112 30.384 30.384 31.471 -1.087 18976 17059 1 20 . 1 1 112 112 MET H H 112 8.355 8.355 8.471 -0.116 18976 17060 1 20 . 1 1 113 113 THR N N 113 117.282 117.282 112.371 4.911 18976 17061 1 20 . 1 1 113 113 THR HA H 113 4.187 4.187 4.222 -0.035 18976 17062 1 20 . 1 1 113 113 THR C C 113 178.112 178.112 176.755 1.357 18976 17063 1 20 . 1 1 113 113 THR CA C 113 65.902 65.902 65.227 0.675 18976 17064 1 20 . 1 1 113 113 THR CB C 113 68.642 68.642 68.483 0.159 18976 17065 1 20 . 1 1 113 113 THR H H 113 8.314 8.314 7.989 0.325 18976 17066 1 20 . 1 1 114 114 ASN N N 114 122.220 122.220 119.483 2.737 18976 17067 1 20 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.531 0.061 18976 17068 1 20 . 1 1 114 114 ASN C C 114 176.644 176.644 176.719 -0.075 18976 17069 1 20 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.821 0.333 18976 17070 1 20 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.887 -1.291 18976 17071 1 20 . 1 1 114 114 ASN H H 114 8.483 8.483 7.941 0.542 18976 17072 1 20 . 1 1 115 115 ARG N N 115 117.970 117.970 119.050 -1.080 18976 17073 1 20 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.323 0.106 18976 17074 1 20 . 1 1 115 115 ARG C C 115 176.366 176.366 177.037 -0.671 18976 17075 1 20 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.939 -0.540 18976 17076 1 20 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.800 -0.300 18976 17077 1 20 . 1 1 115 115 ARG H H 115 7.776 7.776 7.735 0.041 18976 17078 1 20 . 1 1 116 116 GLY N N 116 107.547 107.547 106.343 1.204 18976 17079 1 20 . 1 1 116 116 GLY C C 116 174.384 174.384 174.546 -0.162 18976 17080 1 20 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.057 0.150 18976 17081 1 20 . 1 1 116 116 GLY H H 116 7.968 7.968 7.836 0.132 18976 17082 1 20 . 1 1 117 117 GLU N N 117 119.975 119.975 121.821 -1.846 18976 17083 1 20 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.666 -0.260 18976 17084 1 20 . 1 1 117 117 GLU C C 117 175.558 175.558 174.919 0.639 18976 17085 1 20 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.815 0.362 18976 17086 1 20 . 1 1 117 117 GLU CB C 117 30.400 30.400 31.938 -1.538 18976 17087 1 20 . 1 1 117 117 GLU H H 117 7.934 7.934 8.255 -0.321 18976 17088 1 20 . 1 1 118 118 LYS N N 118 124.035 124.035 118.556 5.479 18976 17089 1 20 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.449 -0.045 18976 17090 1 20 . 1 1 118 118 LYS C C 118 175.441 175.441 174.751 0.690 18976 17091 1 20 . 1 1 118 118 LYS CA C 118 55.267 55.267 55.953 -0.686 18976 17092 1 20 . 1 1 118 118 LYS CB C 118 31.850 31.850 33.478 -1.628 18976 17093 1 20 . 1 1 118 118 LYS H H 118 8.626 8.626 8.231 0.395 18976 17094 1 20 . 1 1 119 119 LEU N N 119 124.745 124.745 124.282 0.463 18976 17095 1 20 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.670 0.100 18976 17096 1 20 . 1 1 119 119 LEU C C 119 178.127 178.127 176.426 1.701 18976 17097 1 20 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.093 0.746 18976 17098 1 20 . 1 1 119 119 LEU CB C 119 44.323 44.323 45.126 -0.803 18976 17099 1 20 . 1 1 119 119 LEU H H 119 8.140 8.140 8.332 -0.192 18976 17100 1 20 . 1 1 120 120 THR N N 120 114.555 114.555 115.513 -0.958 18976 17101 1 20 . 1 1 120 120 THR HA H 120 4.477 4.477 4.343 0.134 18976 17102 1 20 . 1 1 120 120 THR C C 120 175.514 175.514 175.501 0.013 18976 17103 1 20 . 1 1 120 120 THR CA C 120 60.613 60.613 62.718 -2.105 18976 17104 1 20 . 1 1 120 120 THR CB C 120 70.902 70.902 69.989 0.913 18976 17105 1 20 . 1 1 120 120 THR H H 120 9.220 9.220 8.271 0.949 18976 17106 1 20 . 1 1 121 121 ASP N N 121 121.128 121.128 123.047 -1.919 18976 17107 1 20 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.229 -0.001 18976 17108 1 20 . 1 1 121 121 ASP C C 121 178.655 178.655 178.280 0.375 18976 17109 1 20 . 1 1 121 121 ASP CA C 121 57.752 57.752 58.016 -0.264 18976 17110 1 20 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.964 -1.649 18976 17111 1 20 . 1 1 121 121 ASP H H 121 8.921 8.921 8.867 0.054 18976 17112 1 20 . 1 1 122 122 GLU N N 122 119.266 119.266 118.575 0.691 18976 17113 1 20 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.042 0.077 18976 17114 1 20 . 1 1 122 122 GLU C C 122 179.184 179.184 178.458 0.726 18976 17115 1 20 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.266 0.506 18976 17116 1 20 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.474 -0.608 18976 17117 1 20 . 1 1 122 122 GLU H H 122 8.712 8.712 8.489 0.223 18976 17118 1 20 . 1 1 123 123 GLU N N 123 120.455 120.455 117.377 3.078 18976 17119 1 20 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.139 -0.116 18976 17120 1 20 . 1 1 123 123 GLU C C 123 180.123 180.123 178.892 1.231 18976 17121 1 20 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.640 0.450 18976 17122 1 20 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.389 0.824 18976 17123 1 20 . 1 1 123 123 GLU H H 123 7.763 7.763 8.516 -0.753 18976 17124 1 20 . 1 1 124 124 VAL N N 124 121.726 121.726 115.340 6.386 18976 17125 1 20 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.958 -0.351 18976 17126 1 20 . 1 1 124 124 VAL C C 124 177.337 177.337 176.807 0.530 18976 17127 1 20 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.713 1.019 18976 17128 1 20 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.158 -0.116 18976 17129 1 20 . 1 1 124 124 VAL H H 124 8.119 8.119 7.973 0.146 18976 17130 1 20 . 1 1 125 125 ASP N N 125 119.880 119.880 121.172 -1.292 18976 17131 1 20 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.435 -0.084 18976 17132 1 20 . 1 1 125 125 ASP C C 125 179.323 179.323 178.395 0.928 18976 17133 1 20 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.705 -0.330 18976 17134 1 20 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.253 -0.141 18976 17135 1 20 . 1 1 125 125 ASP H H 125 8.051 8.051 7.831 0.220 18976 17136 1 20 . 1 1 126 126 GLU N N 126 119.798 119.798 119.915 -0.117 18976 17137 1 20 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.084 -0.063 18976 17138 1 20 . 1 1 126 126 GLU C C 126 177.966 177.966 178.556 -0.590 18976 17139 1 20 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.446 -0.473 18976 17140 1 20 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.658 -0.574 18976 17141 1 20 . 1 1 126 126 GLU H H 126 8.047 8.047 7.505 0.542 18976 17142 1 20 . 1 1 127 127 MET N N 127 119.443 119.443 117.907 1.536 18976 17143 1 20 . 1 1 127 127 MET HA H 127 4.137 4.137 4.204 -0.067 18976 17144 1 20 . 1 1 127 127 MET C C 127 179.859 179.859 178.967 0.892 18976 17145 1 20 . 1 1 127 127 MET CA C 127 59.137 59.137 57.724 1.413 18976 17146 1 20 . 1 1 127 127 MET CB C 127 32.239 32.239 31.892 0.347 18976 17147 1 20 . 1 1 127 127 MET H H 127 7.795 7.795 7.357 0.438 18976 17148 1 20 . 1 1 128 128 ILE N N 128 120.667 120.667 117.912 2.755 18976 17149 1 20 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.689 -0.168 18976 17150 1 20 . 1 1 128 128 ILE C C 128 177.657 177.657 177.687 -0.030 18976 17151 1 20 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.477 -0.665 18976 17152 1 20 . 1 1 128 128 ILE CB C 128 35.987 35.987 36.795 -0.808 18976 17153 1 20 . 1 1 128 128 ILE H H 128 8.158 8.158 8.097 0.061 18976 17154 1 20 . 1 1 129 129 ARG N N 129 119.725 119.725 119.711 0.014 18976 17155 1 20 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.484 -0.415 18976 17156 1 20 . 1 1 129 129 ARG C C 129 178.920 178.920 178.115 0.805 18976 17157 1 20 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.199 1.417 18976 17158 1 20 . 1 1 129 129 ARG CB C 129 29.882 29.882 29.727 0.155 18976 17159 1 20 . 1 1 129 129 ARG H H 129 8.270 8.270 7.752 0.518 18976 17160 1 20 . 1 1 130 130 GLU N N 130 115.236 115.236 117.186 -1.950 18976 17161 1 20 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.106 -0.012 18976 17162 1 20 . 1 1 130 130 GLU C C 130 177.349 177.349 177.127 0.222 18976 17163 1 20 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.944 -1.044 18976 17164 1 20 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.691 0.132 18976 17165 1 20 . 1 1 130 130 GLU H H 130 7.953 7.953 7.884 0.069 18976 17166 1 20 . 1 1 131 131 THR N N 131 112.585 112.585 110.951 1.634 18976 17167 1 20 . 1 1 131 131 THR HA H 131 4.239 4.239 4.795 -0.556 18976 17168 1 20 . 1 1 131 131 THR C C 131 174.149 174.149 174.196 -0.047 18976 17169 1 20 . 1 1 131 131 THR CA C 131 62.887 62.887 62.442 0.445 18976 17170 1 20 . 1 1 131 131 THR CB C 131 69.337 69.337 70.524 -1.187 18976 17171 1 20 . 1 1 131 131 THR H H 131 7.465 7.465 7.292 0.173 18976 17172 1 20 . 1 1 132 132 ASP N N 132 121.237 121.237 123.071 -1.834 18976 17173 1 20 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.716 -0.238 18976 17174 1 20 . 1 1 132 132 ASP C C 132 175.777 175.777 176.713 -0.936 18976 17175 1 20 . 1 1 132 132 ASP CA C 132 53.954 53.954 53.741 0.213 18976 17176 1 20 . 1 1 132 132 ASP CB C 132 40.440 40.440 41.358 -0.917 18976 17177 1 20 . 1 1 132 132 ASP H H 132 8.070 8.070 8.270 -0.200 18976 17178 1 20 . 1 1 133 133 ILE N N 133 127.244 127.244 125.201 2.043 18976 17179 1 20 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.084 -0.108 18976 17180 1 20 . 1 1 133 133 ILE C C 133 177.628 177.628 176.192 1.436 18976 17181 1 20 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.013 0.853 18976 17182 1 20 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.438 0.040 18976 17183 1 20 . 1 1 133 133 ILE H H 133 8.345 8.345 8.503 -0.158 18976 17184 1 20 . 1 1 134 134 ASP N N 134 116.893 116.893 119.217 -2.324 18976 17185 1 20 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.561 -0.028 18976 17186 1 20 . 1 1 134 134 ASP C C 134 178.259 178.259 177.240 1.019 18976 17187 1 20 . 1 1 134 134 ASP CA C 134 53.543 53.543 54.221 -0.678 18976 17188 1 20 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.779 -0.941 18976 17189 1 20 . 1 1 134 134 ASP H H 134 8.297 8.297 7.886 0.411 18976 17190 1 20 . 1 1 135 135 GLY N N 135 108.287 108.287 108.542 -0.255 18976 17191 1 20 . 1 1 135 135 GLY C C 135 175.250 175.250 175.338 -0.088 18976 17192 1 20 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.033 1.063 18976 17193 1 20 . 1 1 135 135 GLY H H 135 7.623 7.623 8.095 -0.472 18976 17194 1 20 . 1 1 136 136 ASP N N 136 120.541 120.541 119.905 0.636 18976 17195 1 20 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.572 -0.092 18976 17196 1 20 . 1 1 136 136 ASP C C 136 177.584 177.584 177.545 0.039 18976 17197 1 20 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.220 0.155 18976 17198 1 20 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.887 -0.994 18976 17199 1 20 . 1 1 136 136 ASP H H 136 8.290 8.290 8.200 0.090 18976 17200 1 20 . 1 1 137 137 GLY N N 137 112.490 112.490 108.416 4.074 18976 17201 1 20 . 1 1 137 137 GLY C C 137 172.828 172.828 172.865 -0.037 18976 17202 1 20 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.398 0.073 18976 17203 1 20 . 1 1 137 137 GLY H H 137 10.224 10.224 8.382 1.842 18976 17204 1 20 . 1 1 138 138 GLN N N 138 115.266 115.266 119.058 -3.792 18976 17205 1 20 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.345 -0.476 18976 17206 1 20 . 1 1 138 138 GLN C C 138 174.677 174.677 174.621 0.056 18976 17207 1 20 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.005 -1.219 18976 17208 1 20 . 1 1 138 138 GLN CB C 138 31.743 31.743 32.590 -0.847 18976 17209 1 20 . 1 1 138 138 GLN H H 138 7.992 7.992 8.135 -0.143 18976 17210 1 20 . 1 1 139 139 VAL N N 139 125.667 125.667 127.056 -1.389 18976 17211 1 20 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.623 0.489 18976 17212 1 20 . 1 1 139 139 VAL C C 139 175.763 175.763 175.187 0.576 18976 17213 1 20 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.357 0.322 18976 17214 1 20 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.141 1.391 18976 17215 1 20 . 1 1 139 139 VAL H H 139 9.227 9.227 8.787 0.440 18976 17216 1 20 . 1 1 140 140 ASN N N 140 128.431 128.431 126.216 2.215 18976 17217 1 20 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.701 -0.427 18976 17218 1 20 . 1 1 140 140 ASN C C 140 175.079 175.079 176.251 -1.172 18976 17219 1 20 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.539 -0.873 18976 17220 1 20 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.669 -3.442 18976 17221 1 20 . 1 1 140 140 ASN H H 140 9.360 9.360 8.662 0.698 18976 17222 1 20 . 1 1 141 141 TYR N N 141 119.146 119.146 121.272 -2.126 18976 17223 1 20 . 1 1 141 141 TYR HA H 141 3.386 3.386 4.061 -0.675 18976 17224 1 20 . 1 1 141 141 TYR C C 141 176.092 176.092 177.759 -1.667 18976 17225 1 20 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.271 -0.213 18976 17226 1 20 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.602 -1.243 18976 17227 1 20 . 1 1 141 141 TYR H H 141 8.451 8.451 9.112 -0.661 18976 17228 1 20 . 1 1 142 142 GLU N N 142 118.431 118.431 119.853 -1.422 18976 17229 1 20 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.999 -0.317 18976 17230 1 20 . 1 1 142 142 GLU C C 142 180.226 180.226 178.168 2.058 18976 17231 1 20 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.640 0.443 18976 17232 1 20 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.139 -0.593 18976 17233 1 20 . 1 1 142 142 GLU H H 142 8.097 8.097 8.389 -0.292 18976 17234 1 20 . 1 1 143 143 GLU N N 143 120.068 120.068 117.779 2.289 18976 17235 1 20 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.192 -0.202 18976 17236 1 20 . 1 1 143 143 GLU C C 143 179.060 179.060 177.982 1.078 18976 17237 1 20 . 1 1 143 143 GLU CA C 143 58.574 58.574 59.171 -0.597 18976 17238 1 20 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.860 -0.678 18976 17239 1 20 . 1 1 143 143 GLU H H 143 8.667 8.667 8.270 0.397 18976 17240 1 20 . 1 1 144 144 PHE N N 144 123.392 123.392 121.608 1.784 18976 17241 1 20 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.467 -0.500 18976 17242 1 20 . 1 1 144 144 PHE C C 144 176.982 176.982 177.718 -0.736 18976 17243 1 20 . 1 1 144 144 PHE CA C 144 61.446 61.446 60.816 0.629 18976 17244 1 20 . 1 1 144 144 PHE CB C 144 39.695 39.695 40.117 -0.422 18976 17245 1 20 . 1 1 144 144 PHE H H 144 8.731 8.731 8.796 -0.065 18976 17246 1 20 . 1 1 145 145 VAL N N 145 119.201 119.201 119.938 -0.737 18976 17247 1 20 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.513 -0.320 18976 17248 1 20 . 1 1 145 145 VAL C C 145 179.228 179.228 177.376 1.852 18976 17249 1 20 . 1 1 145 145 VAL CA C 145 66.662 66.662 66.380 0.282 18976 17250 1 20 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.199 0.085 18976 17251 1 20 . 1 1 145 145 VAL H H 145 8.671 8.671 7.693 0.978 18976 17252 1 20 . 1 1 146 146 GLN N N 146 119.252 119.252 117.958 1.294 18976 17253 1 20 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.988 -0.072 18976 17254 1 20 . 1 1 146 146 GLN C C 146 177.825 177.825 178.134 -0.309 18976 17255 1 20 . 1 1 146 146 GLN CA C 146 58.567 58.567 59.353 -0.786 18976 17256 1 20 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.237 -0.417 18976 17257 1 20 . 1 1 146 146 GLN H H 146 7.767 7.767 7.709 0.058 18976 17258 1 20 . 1 1 147 147 ARG N N 147 118.529 118.529 118.741 -0.212 18976 17259 1 20 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.205 -0.033 18976 17260 1 20 . 1 1 147 147 ARG C C 147 178.112 178.112 178.549 -0.437 18976 17261 1 20 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.464 -0.955 18976 17262 1 20 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.533 0.581 18976 17263 1 20 . 1 1 147 147 ARG H H 147 7.628 7.628 7.591 0.037 18976 17264 1 20 . 1 1 148 148 MET N N 148 115.755 115.755 116.698 -0.943 18976 17265 1 20 . 1 1 148 148 MET HA H 148 4.304 4.304 4.321 -0.017 18976 17266 1 20 . 1 1 148 148 MET C C 148 177.628 177.628 177.915 -0.287 18976 17267 1 20 . 1 1 148 148 MET CA C 148 55.489 55.489 57.476 -1.987 18976 17268 1 20 . 1 1 148 148 MET CB C 148 31.773 31.773 32.569 -0.796 18976 17269 1 20 . 1 1 148 148 MET H H 148 8.003 8.003 7.649 0.354 18976 17270 1 20 . 1 1 149 149 THR N N 149 110.062 110.062 113.813 -3.751 18976 17271 1 20 . 1 1 149 149 THR HA H 149 4.349 4.349 4.186 0.163 18976 17272 1 20 . 1 1 149 149 THR C C 149 174.149 174.149 174.421 -0.272 18976 17273 1 20 . 1 1 149 149 THR CA C 149 61.775 61.775 64.836 -3.061 18976 17274 1 20 . 1 1 149 149 THR CB C 149 69.780 69.780 69.556 0.223 18976 17275 1 20 . 1 1 149 149 THR H H 149 7.682 7.682 7.625 0.057 18976 17276 1 20 . 1 1 150 150 ALA N N 150 126.503 126.503 120.868 5.635 18976 17277 1 20 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.591 -0.261 18976 17278 1 20 . 1 1 150 150 ALA CA C 150 52.535 52.535 51.267 1.268 18976 17279 1 20 . 1 1 150 150 ALA CB C 150 18.734 18.734 20.581 -1.847 18976 17280 1 20 . 1 1 150 150 ALA H H 150 7.651 7.651 7.886 -0.235 18976 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 146 3.247 -0.278 3.246 18976 2 1 1 "Average Difference" HA 160 0.257 -0.008 0.257 18976 3 1 1 "Average Difference" C 146 0.812 -0.204 0.789 18976 4 1 1 "Average Difference" CA 149 0.899 0.195 0.880 18976 5 1 1 "Average Difference" CB 138 0.877 0.315 0.821 18976 6 1 1 "Average Difference" HN 147 0.573 -0.203 0.537 18976 7 1 2 "Average Difference" N 146 3.376 -0.229 3.380 18976 8 1 2 "Average Difference" HA 160 0.261 -0.042 0.258 18976 9 1 2 "Average Difference" C 146 0.805 -0.145 0.795 18976 10 1 2 "Average Difference" CA 149 0.912 0.188 0.896 18976 11 1 2 "Average Difference" CB 138 0.855 0.272 0.814 18976 12 1 2 "Average Difference" HN 147 0.591 -0.254 0.536 18976 13 1 3 "Average Difference" N 146 3.444 -0.230 3.448 18976 14 1 3 "Average Difference" HA 160 0.256 -0.013 0.257 18976 15 1 3 "Average Difference" C 146 0.800 -0.212 0.775 18976 16 1 3 "Average Difference" CA 149 0.956 0.221 0.934 18976 17 1 3 "Average Difference" CB 138 0.855 0.252 0.819 18976 18 1 3 "Average Difference" HN 147 0.536 -0.205 0.497 18976 19 1 4 "Average Difference" N 146 3.312 -0.277 3.312 18976 20 1 4 "Average Difference" HA 160 0.278 -0.015 0.279 18976 21 1 4 "Average Difference" C 146 0.801 -0.103 0.797 18976 22 1 4 "Average Difference" CA 149 1.009 0.275 0.974 18976 23 1 4 "Average Difference" CB 138 0.953 0.271 0.917 18976 24 1 4 "Average Difference" HN 147 0.589 -0.229 0.544 18976 25 1 5 "Average Difference" N 146 3.442 -0.178 3.449 18976 26 1 5 "Average Difference" HA 160 0.250 -0.025 0.250 18976 27 1 5 "Average Difference" C 146 0.785 -0.160 0.771 18976 28 1 5 "Average Difference" CA 149 0.935 0.190 0.918 18976 29 1 5 "Average Difference" CB 138 0.977 0.271 0.942 18976 30 1 5 "Average Difference" HN 147 0.579 -0.222 0.537 18976 31 1 6 "Average Difference" N 146 3.400 -0.403 3.387 18976 32 1 6 "Average Difference" HA 160 0.267 -0.023 0.267 18976 33 1 6 "Average Difference" C 146 0.836 -0.156 0.824 18976 34 1 6 "Average Difference" CA 149 1.003 0.207 0.985 18976 35 1 6 "Average Difference" CB 138 0.940 0.266 0.905 18976 36 1 6 "Average Difference" HN 147 0.584 -0.259 0.525 18976 37 1 7 "Average Difference" N 146 3.607 -0.066 3.619 18976 38 1 7 "Average Difference" HA 160 0.261 -0.035 0.260 18976 39 1 7 "Average Difference" C 146 0.801 -0.191 0.781 18976 40 1 7 "Average Difference" CA 149 1.154 0.216 1.137 18976 41 1 7 "Average Difference" CB 138 0.939 0.257 0.907 18976 42 1 7 "Average Difference" HN 147 0.572 -0.221 0.529 18976 43 1 8 "Average Difference" N 146 3.418 -0.131 3.427 18976 44 1 8 "Average Difference" HA 160 0.254 -0.017 0.254 18976 45 1 8 "Average Difference" C 146 0.835 -0.161 0.822 18976 46 1 8 "Average Difference" CA 149 1.011 0.248 0.984 18976 47 1 8 "Average Difference" CB 138 0.895 0.304 0.845 18976 48 1 8 "Average Difference" HN 147 0.526 -0.208 0.484 18976 49 1 9 "Average Difference" N 146 3.510 -0.184 3.517 18976 50 1 9 "Average Difference" HA 160 0.255 -0.034 0.254 18976 51 1 9 "Average Difference" C 146 0.838 -0.137 0.830 18976 52 1 9 "Average Difference" CA 149 1.079 0.305 1.038 18976 53 1 9 "Average Difference" CB 138 0.941 0.270 0.904 18976 54 1 9 "Average Difference" HN 147 0.573 -0.206 0.536 18976 55 1 10 "Average Difference" N 146 3.520 -0.117 3.530 18976 56 1 10 "Average Difference" HA 160 0.245 -0.039 0.243 18976 57 1 10 "Average Difference" C 146 0.801 -0.143 0.791 18976 58 1 10 "Average Difference" CA 149 1.043 0.250 1.016 18976 59 1 10 "Average Difference" CB 138 0.971 0.268 0.937 18976 60 1 10 "Average Difference" HN 147 0.601 -0.230 0.558 18976 61 1 11 "Average Difference" N 146 3.277 -0.191 3.283 18976 62 1 11 "Average Difference" HA 160 0.242 -0.043 0.239 18976 63 1 11 "Average Difference" C 146 0.732 -0.147 0.720 18976 64 1 11 "Average Difference" CA 149 1.014 0.166 1.004 18976 65 1 11 "Average Difference" CB 138 0.925 0.255 0.892 18976 66 1 11 "Average Difference" HN 147 0.562 -0.235 0.512 18976 67 1 12 "Average Difference" N 146 3.306 -0.274 3.306 18976 68 1 12 "Average Difference" HA 160 0.252 -0.033 0.251 18976 69 1 12 "Average Difference" C 146 0.815 -0.159 0.802 18976 70 1 12 "Average Difference" CA 149 0.959 0.244 0.931 18976 71 1 12 "Average Difference" CB 138 0.949 0.282 0.909 18976 72 1 12 "Average Difference" HN 147 0.554 -0.204 0.517 18976 73 1 13 "Average Difference" N 146 3.514 -0.187 3.521 18976 74 1 13 "Average Difference" HA 160 0.256 -0.021 0.256 18976 75 1 13 "Average Difference" C 146 0.767 -0.136 0.757 18976 76 1 13 "Average Difference" CA 149 1.029 0.304 0.986 18976 77 1 13 "Average Difference" CB 138 0.940 0.252 0.909 18976 78 1 13 "Average Difference" HN 147 0.556 -0.204 0.519 18976 79 1 14 "Average Difference" N 146 3.466 -0.305 3.464 18976 80 1 14 "Average Difference" HA 160 0.254 -0.014 0.255 18976 81 1 14 "Average Difference" C 146 0.768 -0.120 0.762 18976 82 1 14 "Average Difference" CA 149 0.985 0.247 0.957 18976 83 1 14 "Average Difference" CB 138 0.873 0.296 0.824 18976 84 1 14 "Average Difference" HN 147 0.557 -0.221 0.513 18976 85 1 15 "Average Difference" N 146 3.459 -0.069 3.470 18976 86 1 15 "Average Difference" HA 160 0.259 -0.041 0.257 18976 87 1 15 "Average Difference" C 146 0.801 -0.119 0.795 18976 88 1 15 "Average Difference" CA 149 1.103 0.346 1.051 18976 89 1 15 "Average Difference" CB 138 0.908 0.199 0.889 18976 90 1 15 "Average Difference" HN 147 0.547 -0.213 0.505 18976 91 1 16 "Average Difference" N 146 3.389 -0.213 3.393 18976 92 1 16 "Average Difference" HA 160 0.240 -0.026 0.239 18976 93 1 16 "Average Difference" C 146 0.748 -0.152 0.735 18976 94 1 16 "Average Difference" CA 149 0.938 0.184 0.923 18976 95 1 16 "Average Difference" CB 138 0.930 0.186 0.914 18976 96 1 16 "Average Difference" HN 147 0.551 -0.229 0.503 18976 97 1 17 "Average Difference" N 146 3.260 -0.009 3.271 18976 98 1 17 "Average Difference" HA 160 0.234 -0.033 0.233 18976 99 1 17 "Average Difference" C 146 0.765 -0.192 0.744 18976 100 1 17 "Average Difference" CA 149 0.881 0.247 0.848 18976 101 1 17 "Average Difference" CB 138 0.854 0.236 0.824 18976 102 1 17 "Average Difference" HN 147 0.555 -0.220 0.511 18976 103 1 18 "Average Difference" N 146 3.378 -0.230 3.381 18976 104 1 18 "Average Difference" HA 160 0.246 -0.006 0.246 18976 105 1 18 "Average Difference" C 146 0.765 -0.196 0.742 18976 106 1 18 "Average Difference" CA 149 0.983 0.189 0.968 18976 107 1 18 "Average Difference" CB 138 0.919 0.207 0.899 18976 108 1 18 "Average Difference" HN 147 0.591 -0.237 0.543 18976 109 1 19 "Average Difference" N 146 3.414 -0.237 3.418 18976 110 1 19 "Average Difference" HA 160 0.278 -0.022 0.278 18976 111 1 19 "Average Difference" C 146 0.811 -0.122 0.805 18976 112 1 19 "Average Difference" CA 149 1.043 0.274 1.010 18976 113 1 19 "Average Difference" CB 138 0.875 0.210 0.852 18976 114 1 19 "Average Difference" HN 147 0.590 -0.210 0.553 18976 115 1 20 "Average Difference" N 146 3.478 -0.163 3.486 18976 116 1 20 "Average Difference" HA 160 0.267 -0.017 0.268 18976 117 1 20 "Average Difference" C 146 0.799 -0.182 0.780 18976 118 1 20 "Average Difference" CA 149 1.042 0.246 1.016 18976 119 1 20 "Average Difference" CB 138 0.904 0.262 0.868 18976 120 1 20 "Average Difference" HN 147 0.576 -0.203 0.541 18976 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 18976 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU HA H 2 4.421 4.421 4.299 0.122 18976 2 1 . 1 1 2 2 LEU C C 2 177.129 177.129 177.102 0.027 18976 3 1 . 1 1 2 2 LEU CA C 2 55.122 55.122 55.746 -0.624 18976 4 1 . 1 1 2 2 LEU CB C 2 42.453 42.453 41.584 0.869 18976 5 1 . 1 1 2 2 LEU H H 2 8.641 8.641 8.406 0.235 18976 6 1 . 1 1 3 3 MET N N 3 120.143 120.143 117.815 2.328 18976 7 1 . 1 1 3 3 MET HA H 3 4.451 4.451 4.208 0.243 18976 8 1 . 1 1 3 3 MET C C 3 176.835 176.835 177.054 -0.219 18976 9 1 . 1 1 3 3 MET CA C 3 55.160 55.160 57.185 -2.025 18976 10 1 . 1 1 3 3 MET CB C 3 32.584 32.584 31.862 0.723 18976 11 1 . 1 1 3 3 MET H H 3 8.396 8.396 8.170 0.226 18976 12 1 . 1 1 4 4 ALA N N 4 123.344 123.344 121.518 1.826 18976 13 1 . 1 1 4 4 ALA HA H 4 4.060 4.060 4.015 0.045 18976 14 1 . 1 1 4 4 ALA C C 4 177.922 177.922 178.109 -0.187 18976 15 1 . 1 1 4 4 ALA CA C 4 53.550 53.550 54.103 -0.554 18976 16 1 . 1 1 4 4 ALA CB C 4 18.556 18.556 18.437 0.119 18976 17 1 . 1 1 4 4 ALA H H 4 8.396 8.396 8.097 0.299 18976 18 1 . 1 1 5 5 ASP N N 5 116.052 116.052 116.449 -0.397 18976 19 1 . 1 1 5 5 ASP HA H 5 4.509 4.509 4.550 -0.041 18976 20 1 . 1 1 5 5 ASP C C 5 176.366 176.366 177.329 -0.963 18976 21 1 . 1 1 5 5 ASP CA C 5 54.623 54.623 55.439 -0.816 18976 22 1 . 1 1 5 5 ASP CB C 5 40.263 40.263 40.939 -0.676 18976 23 1 . 1 1 5 5 ASP H H 5 8.114 8.114 7.876 0.238 18976 24 1 . 1 1 6 6 GLN N N 6 117.717 117.717 118.352 -0.635 18976 25 1 . 1 1 6 6 GLN HA H 6 4.377 4.377 4.322 0.055 18976 26 1 . 1 1 6 6 GLN C C 6 175.842 175.842 175.726 0.116 18976 27 1 . 1 1 6 6 GLN CA C 6 55.311 55.311 55.639 -0.327 18976 28 1 . 1 1 6 6 GLN CB C 6 29.590 29.590 28.541 1.049 18976 29 1 . 1 1 6 6 GLN H H 6 7.935 7.935 7.942 -0.007 18976 30 1 . 1 1 7 7 LEU N N 7 121.086 121.086 119.551 1.535 18976 31 1 . 1 1 7 7 LEU HA H 7 4.676 4.676 4.607 0.069 18976 32 1 . 1 1 7 7 LEU C C 7 177.496 177.496 176.678 0.818 18976 33 1 . 1 1 7 7 LEU CA C 7 54.065 54.065 54.015 0.050 18976 34 1 . 1 1 7 7 LEU CB C 7 43.268 43.268 43.194 0.074 18976 35 1 . 1 1 7 7 LEU H H 7 7.713 7.713 7.442 0.271 18976 36 1 . 1 1 8 8 THR N N 8 112.688 112.688 111.520 1.168 18976 37 1 . 1 1 8 8 THR HA H 8 4.475 4.475 4.558 -0.083 18976 38 1 . 1 1 8 8 THR C C 8 175.511 175.511 175.466 0.045 18976 39 1 . 1 1 8 8 THR CA C 8 60.256 60.256 60.262 -0.006 18976 40 1 . 1 1 8 8 THR CB C 8 71.019 71.019 70.739 0.280 18976 41 1 . 1 1 8 8 THR H H 8 8.800 8.800 8.123 0.677 18976 42 1 . 1 1 9 9 GLU N N 9 120.380 120.380 121.092 -0.712 18976 43 1 . 1 1 9 9 GLU HA H 9 3.980 3.980 4.077 -0.097 18976 44 1 . 1 1 9 9 GLU C C 9 179.492 179.492 178.657 0.835 18976 45 1 . 1 1 9 9 GLU CA C 9 59.926 59.926 59.613 0.313 18976 46 1 . 1 1 9 9 GLU CB C 9 28.925 28.925 29.446 -0.521 18976 47 1 . 1 1 9 9 GLU H H 9 9.040 9.040 8.966 0.074 18976 48 1 . 1 1 10 10 GLU N N 10 119.361 119.361 118.691 0.670 18976 49 1 . 1 1 10 10 GLU HA H 10 4.074 4.074 4.068 0.006 18976 50 1 . 1 1 10 10 GLU C C 10 179.185 179.185 178.970 0.215 18976 51 1 . 1 1 10 10 GLU CA C 10 59.767 59.767 59.174 0.593 18976 52 1 . 1 1 10 10 GLU CB C 10 28.796 28.796 29.050 -0.254 18976 53 1 . 1 1 10 10 GLU H H 10 8.729 8.729 8.435 0.294 18976 54 1 . 1 1 11 11 GLN N N 11 120.302 120.302 118.815 1.487 18976 55 1 . 1 1 11 11 GLN HA H 11 3.868 3.868 4.234 -0.366 18976 56 1 . 1 1 11 11 GLN C C 11 178.318 178.318 178.719 -0.401 18976 57 1 . 1 1 11 11 GLN CA C 11 58.384 58.384 58.137 0.247 18976 58 1 . 1 1 11 11 GLN CB C 11 28.885 28.885 29.027 -0.142 18976 59 1 . 1 1 11 11 GLN H H 11 7.747 7.747 7.603 0.144 18976 60 1 . 1 1 12 12 ILE N N 12 119.533 119.533 120.679 -1.146 18976 61 1 . 1 1 12 12 ILE HA H 12 3.718 3.718 3.939 -0.221 18976 62 1 . 1 1 12 12 ILE C C 12 177.731 177.731 177.850 -0.119 18976 63 1 . 1 1 12 12 ILE CA C 12 65.959 65.959 65.157 0.802 18976 64 1 . 1 1 12 12 ILE CB C 12 37.511 37.511 37.717 -0.206 18976 65 1 . 1 1 12 12 ILE H H 12 8.456 8.456 8.250 0.206 18976 66 1 . 1 1 13 13 ALA N N 13 121.161 121.161 122.271 -1.110 18976 67 1 . 1 1 13 13 ALA HA H 13 4.139 4.139 3.978 0.161 18976 68 1 . 1 1 13 13 ALA C C 13 181.019 181.019 179.475 1.544 18976 69 1 . 1 1 13 13 ALA CA C 13 55.123 55.123 55.547 -0.424 18976 70 1 . 1 1 13 13 ALA CB C 13 17.504 17.504 18.097 -0.593 18976 71 1 . 1 1 13 13 ALA H H 13 8.018 8.018 7.999 0.019 18976 72 1 . 1 1 14 14 GLU N N 14 119.619 119.619 118.617 1.002 18976 73 1 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.090 0.074 18976 74 1 . 1 1 14 14 GLU C C 14 180.534 180.534 179.208 1.326 18976 75 1 . 1 1 14 14 GLU CA C 14 59.124 59.124 58.730 0.394 18976 76 1 . 1 1 14 14 GLU CB C 14 28.853 28.853 29.246 -0.393 18976 77 1 . 1 1 14 14 GLU H H 14 7.792 7.792 7.792 0.000 18976 78 1 . 1 1 15 15 PHE N N 15 120.089 120.089 119.368 0.721 18976 79 1 . 1 1 15 15 PHE HA H 15 5.064 5.064 4.605 0.459 18976 80 1 . 1 1 15 15 PHE C C 15 178.700 178.700 178.042 0.658 18976 81 1 . 1 1 15 15 PHE CA C 15 58.857 58.857 60.816 -1.959 18976 82 1 . 1 1 15 15 PHE CB C 15 37.476 37.476 39.007 -1.531 18976 83 1 . 1 1 15 15 PHE H H 15 8.587 8.587 8.272 0.315 18976 84 1 . 1 1 16 16 LYS N N 16 123.715 123.715 120.213 3.502 18976 85 1 . 1 1 16 16 LYS HA H 16 4.045 4.045 4.117 -0.072 18976 86 1 . 1 1 16 16 LYS C C 16 179.327 179.327 178.845 0.482 18976 87 1 . 1 1 16 16 LYS CA C 16 59.870 59.870 59.693 0.177 18976 88 1 . 1 1 16 16 LYS CB C 16 31.573 31.573 31.872 -0.299 18976 89 1 . 1 1 16 16 LYS H H 16 9.256 9.256 8.520 0.736 18976 90 1 . 1 1 17 17 GLU N N 17 120.262 120.262 119.726 0.536 18976 91 1 . 1 1 17 17 GLU HA H 17 4.156 4.156 4.161 -0.005 18976 92 1 . 1 1 17 17 GLU C C 17 179.456 179.456 178.882 0.574 18976 93 1 . 1 1 17 17 GLU CA C 17 59.007 59.007 58.958 0.049 18976 94 1 . 1 1 17 17 GLU CB C 17 28.809 28.809 29.171 -0.362 18976 95 1 . 1 1 17 17 GLU H H 17 7.774 7.774 7.911 -0.137 18976 96 1 . 1 1 18 18 ALA N N 18 122.590 122.590 122.184 0.406 18976 97 1 . 1 1 18 18 ALA HA H 18 4.315 4.315 4.193 0.122 18976 98 1 . 1 1 18 18 ALA C C 18 179.060 179.060 179.637 -0.577 18976 99 1 . 1 1 18 18 ALA CA C 18 54.829 54.829 54.918 -0.089 18976 100 1 . 1 1 18 18 ALA CB C 18 17.798 17.798 18.471 -0.673 18976 101 1 . 1 1 18 18 ALA H H 18 8.001 8.001 8.042 -0.041 18976 102 1 . 1 1 19 19 PHE N N 19 119.363 119.363 118.677 0.686 18976 103 1 . 1 1 19 19 PHE HA H 19 3.234 3.234 3.686 -0.452 18976 104 1 . 1 1 19 19 PHE C C 19 177.290 177.290 177.231 0.059 18976 105 1 . 1 1 19 19 PHE CA C 19 61.757 61.757 60.478 1.279 18976 106 1 . 1 1 19 19 PHE CB C 19 39.138 39.138 38.983 0.155 18976 107 1 . 1 1 19 19 PHE H H 19 8.859 8.859 8.225 0.633 18976 108 1 . 1 1 20 20 SER N N 20 112.556 112.556 114.889 -2.333 18976 109 1 . 1 1 20 20 SER HA H 20 4.142 4.142 4.179 -0.037 18976 110 1 . 1 1 20 20 SER C C 20 174.955 174.955 175.876 -0.921 18976 111 1 . 1 1 20 20 SER CA C 20 61.007 61.007 61.759 -0.752 18976 112 1 . 1 1 20 20 SER CB C 20 62.960 62.960 63.399 -0.439 18976 113 1 . 1 1 20 20 SER H H 20 7.934 7.934 7.948 -0.014 18976 114 1 . 1 1 21 21 LEU N N 21 120.816 120.816 119.081 1.735 18976 115 1 . 1 1 21 21 LEU HA H 21 4.016 4.016 4.206 -0.190 18976 116 1 . 1 1 21 21 LEU C C 21 178.010 178.010 178.060 -0.050 18976 117 1 . 1 1 21 21 LEU CA C 21 56.795 56.795 57.133 -0.338 18976 118 1 . 1 1 21 21 LEU CB C 21 41.132 41.132 41.767 -0.635 18976 119 1 . 1 1 21 21 LEU H H 21 7.434 7.434 7.527 -0.093 18976 120 1 . 1 1 22 22 PHE N N 22 115.049 115.049 117.516 -2.468 18976 121 1 . 1 1 22 22 PHE HA H 22 4.244 4.244 4.285 -0.041 18976 122 1 . 1 1 22 22 PHE C C 22 176.762 176.762 176.328 0.434 18976 123 1 . 1 1 22 22 PHE CA C 22 59.020 59.020 59.732 -0.712 18976 124 1 . 1 1 22 22 PHE CB C 22 40.730 40.730 39.518 1.212 18976 125 1 . 1 1 22 22 PHE H H 22 7.326 7.326 7.712 -0.387 18976 126 1 . 1 1 23 23 ASP N N 23 117.496 117.496 118.928 -1.432 18976 127 1 . 1 1 23 23 ASP HA H 23 4.551 4.551 4.842 -0.291 18976 128 1 . 1 1 23 23 ASP C C 23 177.167 177.167 176.633 0.534 18976 129 1 . 1 1 23 23 ASP CA C 23 52.041 52.041 53.278 -1.237 18976 130 1 . 1 1 23 23 ASP CB C 23 38.598 38.598 39.985 -1.387 18976 131 1 . 1 1 23 23 ASP H H 23 7.851 7.851 7.882 -0.031 18976 132 1 . 1 1 24 24 LYS N N 24 124.470 124.470 124.323 0.147 18976 133 1 . 1 1 24 24 LYS HA H 24 3.984 3.984 4.000 -0.016 18976 134 1 . 1 1 24 24 LYS C C 24 178.127 178.127 177.795 0.332 18976 135 1 . 1 1 24 24 LYS CA C 24 58.158 58.158 58.504 -0.346 18976 136 1 . 1 1 24 24 LYS CB C 24 32.383 32.383 32.362 0.021 18976 137 1 . 1 1 24 24 LYS H H 24 7.687 7.687 7.929 -0.242 18976 138 1 . 1 1 25 25 ASP N N 25 113.822 113.822 115.915 -2.093 18976 139 1 . 1 1 25 25 ASP HA H 25 4.606 4.606 4.480 0.126 18976 140 1 . 1 1 25 25 ASP C C 25 177.687 177.687 177.438 0.249 18976 141 1 . 1 1 25 25 ASP CA C 25 52.459 52.459 54.085 -1.626 18976 142 1 . 1 1 25 25 ASP CB C 25 39.191 39.191 40.124 -0.933 18976 143 1 . 1 1 25 25 ASP H H 25 8.067 8.067 7.922 0.145 18976 144 1 . 1 1 26 26 GLY N N 26 109.208 109.208 108.801 0.407 18976 145 1 . 1 1 26 26 GLY C C 26 175.132 175.132 175.113 0.019 18976 146 1 . 1 1 26 26 GLY CA C 26 46.874 46.874 45.972 0.902 18976 147 1 . 1 1 26 26 GLY H H 26 7.698 7.698 7.803 -0.105 18976 148 1 . 1 1 27 27 ASP N N 27 120.603 120.603 119.900 0.703 18976 149 1 . 1 1 27 27 ASP HA H 27 4.523 4.523 4.636 -0.113 18976 150 1 . 1 1 27 27 ASP C C 27 177.452 177.452 177.746 -0.294 18976 151 1 . 1 1 27 27 ASP CA C 27 53.493 53.493 53.445 0.048 18976 152 1 . 1 1 27 27 ASP CB C 27 40.248 40.248 41.353 -1.105 18976 153 1 . 1 1 27 27 ASP H H 27 8.397 8.397 8.472 -0.075 18976 154 1 . 1 1 28 28 GLY N N 28 113.187 113.187 109.453 3.734 18976 155 1 . 1 1 28 28 GLY C C 28 173.679 173.679 173.686 -0.007 18976 156 1 . 1 1 28 28 GLY CA C 28 45.181 45.181 45.344 -0.163 18976 157 1 . 1 1 28 28 GLY H H 28 10.648 10.648 8.367 2.281 18976 158 1 . 1 1 29 29 THR N N 29 112.865 112.865 110.815 2.050 18976 159 1 . 1 1 29 29 THR HA H 29 5.310 5.310 5.285 0.026 18976 160 1 . 1 1 29 29 THR C C 29 172.872 172.872 173.507 -0.635 18976 161 1 . 1 1 29 29 THR CA C 29 59.764 59.764 60.702 -0.938 18976 162 1 . 1 1 29 29 THR CB C 29 72.319 72.319 71.802 0.517 18976 163 1 . 1 1 29 29 THR H H 29 8.144 8.144 8.368 -0.224 18976 164 1 . 1 1 30 30 ILE N N 30 127.035 127.035 127.330 -0.295 18976 165 1 . 1 1 30 30 ILE HA H 30 4.980 4.980 4.620 0.360 18976 166 1 . 1 1 30 30 ILE C C 30 176.072 176.072 176.443 -0.371 18976 167 1 . 1 1 30 30 ILE CA C 30 60.144 60.144 60.515 -0.371 18976 168 1 . 1 1 30 30 ILE CB C 30 39.302 39.302 37.768 1.534 18976 169 1 . 1 1 30 30 ILE H H 30 9.821 9.821 8.949 0.872 18976 170 1 . 1 1 31 31 THR N N 31 116.509 116.509 120.188 -3.679 18976 171 1 . 1 1 31 31 THR HA H 31 4.800 4.800 4.633 0.167 18976 172 1 . 1 1 31 31 THR C C 31 176.542 176.542 176.434 0.108 18976 173 1 . 1 1 31 31 THR CA C 31 59.396 59.396 61.081 -1.685 18976 174 1 . 1 1 31 31 THR CB C 31 72.162 72.162 70.272 1.890 18976 175 1 . 1 1 31 31 THR H H 31 8.469 8.469 8.724 -0.255 18976 176 1 . 1 1 32 32 THR N N 32 112.790 112.790 114.064 -1.274 18976 177 1 . 1 1 32 32 THR HA H 32 3.803 3.803 3.933 -0.130 18976 178 1 . 1 1 32 32 THR C C 32 177.188 177.188 176.513 0.675 18976 179 1 . 1 1 32 32 THR CA C 32 66.253 66.253 66.613 -0.360 18976 180 1 . 1 1 32 32 THR CB C 32 67.459 67.459 68.559 -1.100 18976 181 1 . 1 1 32 32 THR H H 32 9.128 9.128 8.934 0.194 18976 182 1 . 1 1 33 33 LYS N N 33 120.844 120.844 121.699 -0.855 18976 183 1 . 1 1 33 33 LYS HA H 33 4.148 4.148 4.017 0.131 18976 184 1 . 1 1 33 33 LYS C C 33 179.880 179.880 178.609 1.271 18976 185 1 . 1 1 33 33 LYS CA C 33 58.939 58.939 59.579 -0.640 18976 186 1 . 1 1 33 33 LYS CB C 33 32.235 32.235 32.120 0.115 18976 187 1 . 1 1 33 33 LYS H H 33 7.695 7.695 8.249 -0.554 18976 188 1 . 1 1 34 34 GLU N N 34 121.463 121.463 119.534 1.929 18976 189 1 . 1 1 34 34 GLU HA H 34 4.068 4.068 4.088 -0.020 18976 190 1 . 1 1 34 34 GLU C C 34 179.140 179.140 179.144 -0.004 18976 191 1 . 1 1 34 34 GLU CA C 34 59.139 59.139 59.039 0.100 18976 192 1 . 1 1 34 34 GLU CB C 34 29.545 29.545 29.603 -0.058 18976 193 1 . 1 1 34 34 GLU H H 34 7.687 7.687 7.612 0.075 18976 194 1 . 1 1 35 35 LEU N N 35 120.583 120.583 120.760 -0.177 18976 195 1 . 1 1 35 35 LEU HA H 35 4.123 4.123 4.219 -0.096 18976 196 1 . 1 1 35 35 LEU C C 35 178.934 178.934 178.888 0.046 18976 197 1 . 1 1 35 35 LEU CA C 35 57.827 57.827 57.894 -0.067 18976 198 1 . 1 1 35 35 LEU CB C 35 42.380 42.380 41.775 0.605 18976 199 1 . 1 1 35 35 LEU H H 35 8.745 8.745 8.349 0.396 18976 200 1 . 1 1 36 36 GLY N N 36 128.127 128.127 105.184 22.943 18976 201 1 . 1 1 36 36 GLY C C 36 175.177 175.177 176.057 -0.880 18976 202 1 . 1 1 36 36 GLY CA C 36 48.003 48.003 47.383 0.620 18976 203 1 . 1 1 36 36 GLY H H 36 8.670 8.670 8.246 0.424 18976 204 1 . 1 1 37 37 THR N N 37 117.925 117.925 118.686 -0.761 18976 205 1 . 1 1 37 37 THR HA H 37 3.938 3.938 4.010 -0.072 18976 206 1 . 1 1 37 37 THR C C 37 177.137 177.137 176.421 0.716 18976 207 1 . 1 1 37 37 THR CA C 37 66.648 66.648 66.659 -0.011 18976 208 1 . 1 1 37 37 THR CB C 37 68.383 68.383 68.763 -0.380 18976 209 1 . 1 1 37 37 THR H H 37 7.930 7.930 7.690 0.240 18976 210 1 . 1 1 38 38 VAL N N 38 122.046 122.046 121.681 0.365 18976 211 1 . 1 1 38 38 VAL HA H 38 3.523 3.523 3.579 -0.056 18976 212 1 . 1 1 38 38 VAL C C 38 179.243 179.243 177.805 1.438 18976 213 1 . 1 1 38 38 VAL CA C 38 65.962 65.962 65.970 -0.007 18976 214 1 . 1 1 38 38 VAL CB C 38 31.070 31.070 31.068 0.002 18976 215 1 . 1 1 38 38 VAL H H 38 7.643 7.643 7.590 0.053 18976 216 1 . 1 1 39 39 MET N N 39 118.442 118.442 117.148 1.294 18976 217 1 . 1 1 39 39 MET HA H 39 4.133 4.133 4.118 0.015 18976 218 1 . 1 1 39 39 MET C C 39 179.125 179.125 178.208 0.917 18976 219 1 . 1 1 39 39 MET CA C 39 58.886 58.886 58.050 0.835 18976 220 1 . 1 1 39 39 MET CB C 39 31.211 31.211 31.804 -0.593 18976 221 1 . 1 1 39 39 MET H H 39 8.497 8.497 7.938 0.560 18976 222 1 . 1 1 40 40 ARG N N 40 118.929 118.929 119.695 -0.766 18976 223 1 . 1 1 40 40 ARG HA H 40 4.833 4.833 4.288 0.545 18976 224 1 . 1 1 40 40 ARG C C 40 181.224 181.224 178.929 2.295 18976 225 1 . 1 1 40 40 ARG CA C 40 58.886 58.886 59.134 -0.248 18976 226 1 . 1 1 40 40 ARG CB C 40 28.835 28.835 30.012 -1.177 18976 227 1 . 1 1 40 40 ARG H H 40 8.536 8.536 7.879 0.657 18976 228 1 . 1 1 41 41 SER N N 41 118.832 118.832 115.607 3.225 18976 229 1 . 1 1 41 41 SER HA H 41 4.425 4.425 4.285 0.140 18976 230 1 . 1 1 41 41 SER C C 41 174.839 174.839 175.445 -0.606 18976 231 1 . 1 1 41 41 SER CA C 41 61.249 61.249 60.756 0.493 18976 232 1 . 1 1 41 41 SER CB C 41 62.464 62.464 62.921 -0.457 18976 233 1 . 1 1 41 41 SER H H 41 7.925 7.925 7.601 0.324 18976 234 1 . 1 1 42 42 LEU N N 42 120.676 120.676 120.485 0.191 18976 235 1 . 1 1 42 42 LEU HA H 42 4.517 4.517 4.389 0.128 18976 236 1 . 1 1 42 42 LEU C C 42 177.540 177.540 177.182 0.358 18976 237 1 . 1 1 42 42 LEU CA C 42 54.232 54.232 54.585 -0.353 18976 238 1 . 1 1 42 42 LEU CB C 42 41.670 41.670 41.395 0.275 18976 239 1 . 1 1 42 42 LEU H H 42 7.395 7.395 7.424 -0.029 18976 240 1 . 1 1 43 43 GLY N N 43 106.840 106.840 107.074 -0.234 18976 241 1 . 1 1 43 43 GLY C C 43 174.384 174.384 174.429 -0.045 18976 242 1 . 1 1 43 43 GLY CA C 43 45.308 45.308 44.940 0.368 18976 243 1 . 1 1 43 43 GLY H H 43 7.885 7.885 7.618 0.267 18976 244 1 . 1 1 44 44 GLN N N 44 118.414 118.414 120.245 -1.831 18976 245 1 . 1 1 44 44 GLN HA H 44 4.502 4.502 4.432 0.070 18976 246 1 . 1 1 44 44 GLN C C 44 174.134 174.134 174.843 -0.709 18976 247 1 . 1 1 44 44 GLN CA C 44 54.184 54.184 54.577 -0.393 18976 248 1 . 1 1 44 44 GLN CB C 44 30.274 30.274 30.345 -0.070 18976 249 1 . 1 1 44 44 GLN H H 44 7.805 7.805 7.748 0.057 18976 250 1 . 1 1 45 45 ASN N N 45 116.265 116.265 120.330 -4.065 18976 251 1 . 1 1 45 45 ASN HA H 45 5.201 5.201 4.999 0.202 18976 252 1 . 1 1 45 45 ASN CA C 45 50.957 50.957 51.096 -0.139 18976 253 1 . 1 1 45 45 ASN CB C 45 38.909 38.909 39.139 -0.230 18976 254 1 . 1 1 45 45 ASN H H 45 8.733 8.733 8.557 0.176 18976 255 1 . 1 1 46 46 PRO HA H 46 4.787 4.787 4.792 -0.005 18976 256 1 . 1 1 46 46 PRO C C 46 177.745 177.745 176.184 1.561 18976 257 1 . 1 1 46 46 PRO CA C 46 62.105 62.105 62.247 -0.142 18976 258 1 . 1 1 46 46 PRO CB C 46 31.703 31.703 33.157 -1.454 18976 259 1 . 1 1 47 47 THR N N 47 112.958 112.958 114.374 -1.416 18976 260 1 . 1 1 47 47 THR HA H 47 4.451 4.451 4.512 -0.061 18976 261 1 . 1 1 47 47 THR C C 47 175.159 175.159 175.892 -0.733 18976 262 1 . 1 1 47 47 THR CA C 47 60.078 60.078 59.892 0.186 18976 263 1 . 1 1 47 47 THR CB C 47 71.001 71.001 71.063 -0.062 18976 264 1 . 1 1 47 47 THR H H 47 8.767 8.767 8.253 0.514 18976 265 1 . 1 1 48 48 GLU N N 48 120.607 120.607 125.268 -4.661 18976 266 1 . 1 1 48 48 GLU HA H 48 4.006 4.006 3.955 0.051 18976 267 1 . 1 1 48 48 GLU C C 48 178.949 178.949 178.085 0.864 18976 268 1 . 1 1 48 48 GLU CA C 48 59.741 59.741 59.706 0.035 18976 269 1 . 1 1 48 48 GLU CB C 48 28.692 28.692 29.223 -0.531 18976 270 1 . 1 1 48 48 GLU H H 48 8.824 8.824 8.997 -0.173 18976 271 1 . 1 1 49 49 ALA N N 49 120.678 120.678 121.693 -1.015 18976 272 1 . 1 1 49 49 ALA HA H 49 4.119 4.119 4.092 0.027 18976 273 1 . 1 1 49 49 ALA C C 49 180.226 180.226 179.611 0.615 18976 274 1 . 1 1 49 49 ALA CA C 49 54.716 54.716 54.833 -0.117 18976 275 1 . 1 1 49 49 ALA CB C 49 17.873 17.873 18.134 -0.261 18976 276 1 . 1 1 49 49 ALA H H 49 8.279 8.279 7.947 0.332 18976 277 1 . 1 1 50 50 GLU N N 50 118.703 118.703 119.301 -0.598 18976 278 1 . 1 1 50 50 GLU HA H 50 4.052 4.052 4.118 -0.066 18976 279 1 . 1 1 50 50 GLU C C 50 180.182 180.182 179.068 1.114 18976 280 1 . 1 1 50 50 GLU CA C 50 58.857 58.857 59.012 -0.155 18976 281 1 . 1 1 50 50 GLU CB C 50 29.368 29.368 29.578 -0.210 18976 282 1 . 1 1 50 50 GLU H H 50 7.712 7.712 7.693 0.019 18976 283 1 . 1 1 51 51 LEU N N 51 120.420 120.420 118.471 1.949 18976 284 1 . 1 1 51 51 LEU HA H 51 4.094 4.094 4.163 -0.069 18976 285 1 . 1 1 51 51 LEU C C 51 178.494 178.494 179.330 -0.836 18976 286 1 . 1 1 51 51 LEU CA C 51 57.679 57.679 56.631 1.048 18976 287 1 . 1 1 51 51 LEU CB C 51 42.056 42.056 40.487 1.569 18976 288 1 . 1 1 51 51 LEU H H 51 8.192 8.192 7.612 0.580 18976 289 1 . 1 1 52 52 GLN N N 52 118.200 118.200 119.411 -1.211 18976 290 1 . 1 1 52 52 GLN HA H 52 3.838 3.838 3.990 -0.152 18976 291 1 . 1 1 52 52 GLN C C 52 178.518 178.518 177.884 0.634 18976 292 1 . 1 1 52 52 GLN CA C 52 58.197 58.197 58.963 -0.766 18976 293 1 . 1 1 52 52 GLN CB C 52 27.904 27.904 28.095 -0.191 18976 294 1 . 1 1 52 52 GLN H H 52 8.212 8.212 8.048 0.164 18976 295 1 . 1 1 53 53 ASP N N 53 119.922 119.922 119.811 0.111 18976 296 1 . 1 1 53 53 ASP HA H 53 4.430 4.430 4.467 -0.037 18976 297 1 . 1 1 53 53 ASP C C 53 178.635 178.635 178.378 0.257 18976 298 1 . 1 1 53 53 ASP CA C 53 57.262 57.262 57.098 0.164 18976 299 1 . 1 1 53 53 ASP CB C 53 39.962 39.962 40.751 -0.789 18976 300 1 . 1 1 53 53 ASP H H 53 8.108 8.108 7.718 0.390 18976 301 1 . 1 1 54 54 MET N N 54 119.290 119.290 117.868 1.422 18976 302 1 . 1 1 54 54 MET HA H 54 4.044 4.044 4.307 -0.263 18976 303 1 . 1 1 54 54 MET C C 54 178.876 178.876 178.549 0.327 18976 304 1 . 1 1 54 54 MET CA C 54 59.108 59.108 58.798 0.310 18976 305 1 . 1 1 54 54 MET CB C 54 32.930 32.930 32.688 0.242 18976 306 1 . 1 1 54 54 MET H H 54 7.865 7.865 7.545 0.320 18976 307 1 . 1 1 55 55 ILE N N 55 118.056 118.056 120.445 -2.389 18976 308 1 . 1 1 55 55 ILE HA H 55 3.515 3.515 3.660 -0.145 18976 309 1 . 1 1 55 55 ILE C C 55 177.760 177.760 177.532 0.228 18976 310 1 . 1 1 55 55 ILE CA C 55 64.480 64.480 64.777 -0.297 18976 311 1 . 1 1 55 55 ILE CB C 55 36.980 36.980 38.039 -1.059 18976 312 1 . 1 1 55 55 ILE H H 55 7.710 7.710 7.590 0.120 18976 313 1 . 1 1 56 56 ASN N N 56 117.688 117.688 117.507 0.181 18976 314 1 . 1 1 56 56 ASN HA H 56 4.392 4.392 4.419 -0.027 18976 315 1 . 1 1 56 56 ASN C C 56 177.393 177.393 177.042 0.351 18976 316 1 . 1 1 56 56 ASN CA C 56 55.586 55.586 55.928 -0.342 18976 317 1 . 1 1 56 56 ASN CB C 56 37.655 37.655 38.140 -0.485 18976 318 1 . 1 1 56 56 ASN H H 56 8.606 8.606 8.169 0.437 18976 319 1 . 1 1 57 57 GLU N N 57 116.316 116.316 117.660 -1.344 18976 320 1 . 1 1 57 57 GLU HA H 57 4.043 4.043 4.190 -0.147 18976 321 1 . 1 1 57 57 GLU C C 57 177.569 177.569 177.935 -0.366 18976 322 1 . 1 1 57 57 GLU CA C 57 58.632 58.632 58.295 0.337 18976 323 1 . 1 1 57 57 GLU CB C 57 30.099 30.099 30.003 0.096 18976 324 1 . 1 1 57 57 GLU H H 57 7.580 7.580 7.847 -0.268 18976 325 1 . 1 1 58 58 VAL N N 58 108.390 108.390 113.889 -5.499 18976 326 1 . 1 1 58 58 VAL HA H 58 4.482 4.482 4.135 0.347 18976 327 1 . 1 1 58 58 VAL C C 58 175.749 175.749 175.858 -0.109 18976 328 1 . 1 1 58 58 VAL CA C 58 60.417 60.417 62.528 -2.111 18976 329 1 . 1 1 58 58 VAL CB C 58 32.366 32.366 32.406 -0.040 18976 330 1 . 1 1 58 58 VAL H H 58 7.219 7.219 7.390 -0.171 18976 331 1 . 1 1 59 59 ASP N N 59 121.728 121.728 121.096 0.632 18976 332 1 . 1 1 59 59 ASP HA H 59 4.642 4.642 4.791 -0.149 18976 333 1 . 1 1 59 59 ASP C C 59 176.219 176.219 175.898 0.321 18976 334 1 . 1 1 59 59 ASP CA C 59 53.468 53.468 54.231 -0.763 18976 335 1 . 1 1 59 59 ASP CB C 59 39.865 39.865 41.321 -1.456 18976 336 1 . 1 1 59 59 ASP H H 59 7.674 7.674 7.866 -0.192 18976 337 1 . 1 1 60 60 ALA N N 60 109.214 109.214 129.621 -20.407 18976 338 1 . 1 1 60 60 ALA HA H 60 4.216 4.216 4.135 0.081 18976 339 1 . 1 1 60 60 ALA C C 60 178.626 178.626 178.491 0.135 18976 340 1 . 1 1 60 60 ALA CA C 60 53.985 53.985 54.042 -0.057 18976 341 1 . 1 1 60 60 ALA CB C 60 19.146 19.146 19.608 -0.462 18976 342 1 . 1 1 60 60 ALA H H 60 8.481 8.481 8.295 0.186 18976 343 1 . 1 1 61 61 ASP N N 61 113.667 113.667 116.955 -3.288 18976 344 1 . 1 1 61 61 ASP HA H 61 4.623 4.623 4.506 0.117 18976 345 1 . 1 1 61 61 ASP C C 61 177.848 177.848 177.814 0.034 18976 346 1 . 1 1 61 61 ASP CA C 61 52.411 52.411 54.056 -1.645 18976 347 1 . 1 1 61 61 ASP CB C 61 39.551 39.551 40.990 -1.439 18976 348 1 . 1 1 61 61 ASP H H 61 8.158 8.158 8.054 0.104 18976 349 1 . 1 1 62 62 GLY N N 62 108.314 108.314 109.337 -1.023 18976 350 1 . 1 1 62 62 GLY C C 62 174.933 174.933 175.108 -0.175 18976 351 1 . 1 1 62 62 GLY CA C 62 46.942 46.942 45.639 1.303 18976 352 1 . 1 1 62 62 GLY H H 62 7.585 7.585 8.302 -0.718 18976 353 1 . 1 1 63 63 ASN N N 63 118.384 118.384 118.800 -0.416 18976 354 1 . 1 1 63 63 ASN HA H 63 4.657 4.657 4.734 -0.077 18976 355 1 . 1 1 63 63 ASN C C 63 176.835 176.835 176.566 0.269 18976 356 1 . 1 1 63 63 ASN CA C 63 52.223 52.223 52.606 -0.383 18976 357 1 . 1 1 63 63 ASN CB C 63 37.366 37.366 39.292 -1.926 18976 358 1 . 1 1 63 63 ASN H H 63 8.086 8.086 8.555 -0.469 18976 359 1 . 1 1 64 64 GLY N N 64 113.412 113.412 109.854 3.558 18976 360 1 . 1 1 64 64 GLY C C 64 173.254 173.254 173.423 -0.169 18976 361 1 . 1 1 64 64 GLY CA C 64 45.397 45.397 45.354 0.043 18976 362 1 . 1 1 64 64 GLY H H 64 10.618 10.618 8.313 2.305 18976 363 1 . 1 1 65 65 THR N N 65 108.877 108.877 113.664 -4.787 18976 364 1 . 1 1 65 65 THR HA H 65 4.766 4.766 4.674 0.092 18976 365 1 . 1 1 65 65 THR C C 65 173.195 173.195 173.275 -0.080 18976 366 1 . 1 1 65 65 THR CA C 65 59.301 59.301 61.253 -1.952 18976 367 1 . 1 1 65 65 THR CB C 65 71.695 71.695 72.503 -0.808 18976 368 1 . 1 1 65 65 THR H H 65 7.684 7.684 8.070 -0.386 18976 369 1 . 1 1 66 66 ILE N N 66 123.673 123.673 124.406 -0.733 18976 370 1 . 1 1 66 66 ILE HA H 66 5.190 5.190 4.417 0.773 18976 371 1 . 1 1 66 66 ILE C C 66 175.529 175.529 175.184 0.345 18976 372 1 . 1 1 66 66 ILE CA C 66 59.684 59.684 61.175 -1.491 18976 373 1 . 1 1 66 66 ILE CB C 66 39.417 39.417 38.772 0.645 18976 374 1 . 1 1 66 66 ILE H H 66 8.912 8.912 8.434 0.478 18976 375 1 . 1 1 67 67 ASP N N 67 128.135 128.135 127.376 0.759 18976 376 1 . 1 1 67 67 ASP HA H 67 5.384 5.384 5.073 0.311 18976 377 1 . 1 1 67 67 ASP C C 67 176.322 176.322 176.843 -0.521 18976 378 1 . 1 1 67 67 ASP CA C 67 51.843 51.843 53.178 -1.335 18976 379 1 . 1 1 67 67 ASP CB C 67 41.787 41.787 43.152 -1.365 18976 380 1 . 1 1 67 67 ASP H H 67 8.824 8.824 8.599 0.225 18976 381 1 . 1 1 68 68 PHE N N 68 118.627 118.627 122.613 -3.986 18976 382 1 . 1 1 68 68 PHE HA H 68 4.024 4.024 3.990 0.034 18976 383 1 . 1 1 68 68 PHE CA C 68 63.170 63.170 62.606 0.564 18976 384 1 . 1 1 68 68 PHE CB C 68 35.601 35.601 36.971 -1.370 18976 385 1 . 1 1 68 68 PHE H H 68 8.943 8.943 9.016 -0.073 18976 386 1 . 1 1 69 69 PRO HA H 69 3.876 3.876 3.985 -0.109 18976 387 1 . 1 1 69 69 PRO C C 69 180.037 180.037 178.613 1.424 18976 388 1 . 1 1 69 69 PRO CA C 69 66.392 66.392 65.634 0.758 18976 389 1 . 1 1 69 69 PRO CB C 69 30.374 30.374 30.966 -0.592 18976 390 1 . 1 1 70 70 GLU N N 70 117.615 117.615 118.163 -0.548 18976 391 1 . 1 1 70 70 GLU HA H 70 4.108 4.108 4.139 -0.031 18976 392 1 . 1 1 70 70 GLU C C 70 178.773 178.773 178.767 0.006 18976 393 1 . 1 1 70 70 GLU CA C 70 58.566 58.566 58.533 0.033 18976 394 1 . 1 1 70 70 GLU CB C 70 29.026 29.026 29.220 -0.194 18976 395 1 . 1 1 70 70 GLU H H 70 7.969 7.969 7.828 0.141 18976 396 1 . 1 1 71 71 PHE N N 71 123.460 123.460 122.168 1.292 18976 397 1 . 1 1 71 71 PHE HA H 71 3.974 3.974 4.172 -0.198 18976 398 1 . 1 1 71 71 PHE C C 71 177.041 177.041 176.475 0.566 18976 399 1 . 1 1 71 71 PHE CA C 71 61.027 61.027 61.218 -0.191 18976 400 1 . 1 1 71 71 PHE CB C 71 39.707 39.707 39.328 0.379 18976 401 1 . 1 1 71 71 PHE H H 71 8.861 8.861 8.113 0.748 18976 402 1 . 1 1 72 72 LEU N N 72 118.749 118.749 118.604 0.145 18976 403 1 . 1 1 72 72 LEU HA H 72 3.368 3.368 3.437 -0.069 18976 404 1 . 1 1 72 72 LEU C C 72 178.949 178.949 178.732 0.217 18976 405 1 . 1 1 72 72 LEU CA C 72 57.596 57.596 57.742 -0.146 18976 406 1 . 1 1 72 72 LEU CB C 72 40.742 40.742 40.522 0.220 18976 407 1 . 1 1 72 72 LEU H H 72 8.411 8.411 7.755 0.656 18976 408 1 . 1 1 73 73 THR N N 73 115.213 115.213 112.055 3.158 18976 409 1 . 1 1 73 73 THR HA H 73 3.753 3.753 3.918 -0.165 18976 410 1 . 1 1 73 73 THR C C 73 175.955 175.955 176.310 -0.356 18976 411 1 . 1 1 73 73 THR CA C 73 66.313 66.313 65.254 1.059 18976 412 1 . 1 1 73 73 THR CB C 73 68.075 68.075 68.838 -0.763 18976 413 1 . 1 1 73 73 THR H H 73 7.522 7.522 7.385 0.137 18976 414 1 . 1 1 74 74 MET N N 74 121.455 121.455 122.117 -0.662 18976 415 1 . 1 1 74 74 MET HA H 74 3.773 3.773 4.120 -0.347 18976 416 1 . 1 1 74 74 MET C C 74 178.098 178.098 177.888 0.210 18976 417 1 . 1 1 74 74 MET CA C 74 58.603 58.603 58.115 0.488 18976 418 1 . 1 1 74 74 MET CB C 74 32.905 32.905 32.337 0.568 18976 419 1 . 1 1 74 74 MET H H 74 7.783 7.783 7.644 0.139 18976 420 1 . 1 1 75 75 MET N N 75 116.557 116.557 116.684 -0.127 18976 421 1 . 1 1 75 75 MET HA H 75 3.998 3.998 4.099 -0.101 18976 422 1 . 1 1 75 75 MET C C 75 178.700 178.700 177.855 0.845 18976 423 1 . 1 1 75 75 MET CA C 75 55.472 55.472 57.572 -2.100 18976 424 1 . 1 1 75 75 MET CB C 75 30.693 30.693 31.218 -0.525 18976 425 1 . 1 1 75 75 MET H H 75 8.077 8.077 8.019 0.058 18976 426 1 . 1 1 76 76 ALA N N 76 122.410 122.410 121.583 0.827 18976 427 1 . 1 1 76 76 ALA HA H 76 4.089 4.089 3.982 0.107 18976 428 1 . 1 1 76 76 ALA C C 76 179.683 179.683 179.090 0.593 18976 429 1 . 1 1 76 76 ALA CA C 76 54.376 54.376 54.437 -0.061 18976 430 1 . 1 1 76 76 ALA CB C 76 17.779 17.779 18.058 -0.279 18976 431 1 . 1 1 76 76 ALA H H 76 8.303 8.303 7.697 0.606 18976 432 1 . 1 1 77 77 ARG N N 77 116.451 116.451 117.693 -1.242 18976 433 1 . 1 1 77 77 ARG HA H 77 4.102 4.102 4.053 0.049 18976 434 1 . 1 1 77 77 ARG C C 77 177.701 177.701 177.893 -0.192 18976 435 1 . 1 1 77 77 ARG CA C 77 58.042 58.042 58.613 -0.571 18976 436 1 . 1 1 77 77 ARG CB C 77 30.008 30.008 30.138 -0.130 18976 437 1 . 1 1 77 77 ARG H H 77 7.622 7.622 7.661 -0.039 18976 438 1 . 1 1 78 78 LYS N N 78 118.021 118.021 117.637 0.384 18976 439 1 . 1 1 78 78 LYS HA H 78 4.239 4.239 4.318 -0.079 18976 440 1 . 1 1 78 78 LYS C C 78 177.525 177.525 177.921 -0.396 18976 441 1 . 1 1 78 78 LYS CA C 78 56.721 56.721 57.433 -0.712 18976 442 1 . 1 1 78 78 LYS CB C 78 32.213 32.213 32.544 -0.331 18976 443 1 . 1 1 78 78 LYS H H 78 7.577 7.577 7.529 0.048 18976 444 1 . 1 1 79 79 MET N N 79 118.929 118.929 118.482 0.447 18976 445 1 . 1 1 79 79 MET HA H 79 4.351 4.351 4.374 -0.023 18976 446 1 . 1 1 79 79 MET C C 79 176.322 176.322 176.865 -0.543 18976 447 1 . 1 1 79 79 MET CA C 79 56.345 56.345 56.569 -0.224 18976 448 1 . 1 1 79 79 MET CB C 79 32.946 32.946 32.280 0.666 18976 449 1 . 1 1 79 79 MET H H 79 7.772 7.772 7.642 0.130 18976 450 1 . 1 1 80 80 LYS N N 80 120.686 120.686 119.367 1.319 18976 451 1 . 1 1 80 80 LYS HA H 80 4.327 4.327 4.148 0.179 18976 452 1 . 1 1 80 80 LYS C C 80 176.395 176.395 176.826 -0.432 18976 453 1 . 1 1 80 80 LYS CA C 80 56.144 56.144 57.627 -1.483 18976 454 1 . 1 1 80 80 LYS CB C 80 32.808 32.808 31.800 1.008 18976 455 1 . 1 1 80 80 LYS H H 80 7.955 7.955 7.859 0.096 18976 456 1 . 1 1 81 81 ASP N N 81 121.721 121.721 118.899 2.822 18976 457 1 . 1 1 81 81 ASP HA H 81 4.689 4.689 4.492 0.197 18976 458 1 . 1 1 81 81 ASP C C 81 176.644 176.644 177.158 -0.514 18976 459 1 . 1 1 81 81 ASP CA C 81 54.286 54.286 56.019 -1.734 18976 460 1 . 1 1 81 81 ASP CB C 81 40.793 40.793 41.005 -0.213 18976 461 1 . 1 1 81 81 ASP H H 81 8.341 8.341 7.957 0.384 18976 462 1 . 1 1 82 82 THR N N 82 114.594 114.594 112.630 1.964 18976 463 1 . 1 1 82 82 THR HA H 82 4.323 4.323 4.133 0.190 18976 464 1 . 1 1 82 82 THR C C 82 174.584 174.584 175.698 -1.114 18976 465 1 . 1 1 82 82 THR CA C 82 61.955 61.955 64.205 -2.250 18976 466 1 . 1 1 82 82 THR CB C 82 69.586 69.586 68.663 0.923 18976 467 1 . 1 1 82 82 THR H H 82 8.123 8.123 8.056 0.067 18976 468 1 . 1 1 83 83 ASP N N 83 123.126 123.126 121.962 1.164 18976 469 1 . 1 1 83 83 ASP HA H 83 4.699 4.699 4.432 0.267 18976 470 1 . 1 1 83 83 ASP C C 83 176.674 176.674 177.714 -1.040 18976 471 1 . 1 1 83 83 ASP CA C 83 54.491 54.491 56.058 -1.567 18976 472 1 . 1 1 83 83 ASP CB C 83 41.040 41.040 40.473 0.567 18976 473 1 . 1 1 83 83 ASP H H 83 8.439 8.439 8.275 0.164 18976 474 1 . 1 1 84 84 SER N N 84 116.982 116.982 115.656 1.326 18976 475 1 . 1 1 84 84 SER HA H 84 4.458 4.458 4.127 0.331 18976 476 1 . 1 1 84 84 SER C C 84 175.393 175.393 176.159 -0.766 18976 477 1 . 1 1 84 84 SER CA C 84 58.943 58.943 61.385 -2.442 18976 478 1 . 1 1 84 84 SER CB C 84 63.550 63.550 62.883 0.667 18976 479 1 . 1 1 84 84 SER H H 84 8.418 8.418 8.213 0.205 18976 480 1 . 1 1 85 85 GLU N N 85 122.632 122.632 120.682 1.950 18976 481 1 . 1 1 85 85 GLU HA H 85 4.211 4.211 4.038 0.173 18976 482 1 . 1 1 85 85 GLU C C 85 177.716 177.716 178.492 -0.776 18976 483 1 . 1 1 85 85 GLU CA C 85 58.539 58.539 59.090 -0.551 18976 484 1 . 1 1 85 85 GLU CB C 85 29.227 29.227 28.921 0.306 18976 485 1 . 1 1 85 85 GLU H H 85 8.504 8.504 8.043 0.461 18976 486 1 . 1 1 86 86 GLU N N 86 119.077 119.077 119.884 -0.807 18976 487 1 . 1 1 86 86 GLU HA H 86 4.061 4.061 4.061 -0.000 18976 488 1 . 1 1 86 86 GLU C C 86 178.885 178.885 178.683 0.202 18976 489 1 . 1 1 86 86 GLU CA C 86 59.365 59.365 58.800 0.565 18976 490 1 . 1 1 86 86 GLU CB C 86 29.065 29.065 29.328 -0.263 18976 491 1 . 1 1 86 86 GLU H H 86 8.333 8.333 7.929 0.404 18976 492 1 . 1 1 87 87 GLU N N 87 119.138 119.138 120.457 -1.319 18976 493 1 . 1 1 87 87 GLU HA H 87 4.146 4.146 4.124 0.022 18976 494 1 . 1 1 87 87 GLU C C 87 179.823 179.823 179.000 0.823 18976 495 1 . 1 1 87 87 GLU CA C 87 58.910 58.910 59.014 -0.104 18976 496 1 . 1 1 87 87 GLU CB C 87 29.266 29.266 29.585 -0.319 18976 497 1 . 1 1 87 87 GLU H H 87 8.130 8.130 7.770 0.360 18976 498 1 . 1 1 88 88 LEU N N 88 122.103 122.103 119.992 2.111 18976 499 1 . 1 1 88 88 LEU HA H 88 4.391 4.391 4.232 0.159 18976 500 1 . 1 1 88 88 LEU C C 88 178.905 178.905 178.924 -0.019 18976 501 1 . 1 1 88 88 LEU CA C 88 57.716 57.716 57.666 0.050 18976 502 1 . 1 1 88 88 LEU CB C 88 41.861 41.861 41.919 -0.058 18976 503 1 . 1 1 88 88 LEU H H 88 8.152 8.152 7.949 0.203 18976 504 1 . 1 1 89 89 ARG N N 89 120.092 120.092 119.060 1.032 18976 505 1 . 1 1 89 89 ARG HA H 89 4.050 4.050 4.069 -0.019 18976 506 1 . 1 1 89 89 ARG C C 89 179.507 179.507 178.703 0.804 18976 507 1 . 1 1 89 89 ARG CA C 89 59.411 59.411 59.777 -0.366 18976 508 1 . 1 1 89 89 ARG CB C 89 29.460 29.460 29.828 -0.368 18976 509 1 . 1 1 89 89 ARG H H 89 8.499 8.499 8.156 0.343 18976 510 1 . 1 1 90 90 GLU N N 90 119.315 119.315 119.515 -0.200 18976 511 1 . 1 1 90 90 GLU HA H 90 4.167 4.167 4.151 0.016 18976 512 1 . 1 1 90 90 GLU C C 90 178.068 178.068 178.226 -0.158 18976 513 1 . 1 1 90 90 GLU CA C 90 58.590 58.590 59.001 -0.410 18976 514 1 . 1 1 90 90 GLU CB C 90 28.929 28.929 29.491 -0.561 18976 515 1 . 1 1 90 90 GLU H H 90 8.040 8.040 7.876 0.164 18976 516 1 . 1 1 91 91 ALA N N 91 121.794 121.794 122.285 -0.491 18976 517 1 . 1 1 91 91 ALA HA H 91 4.211 4.211 4.159 0.052 18976 518 1 . 1 1 91 91 ALA C C 91 179.855 179.855 179.460 0.395 18976 519 1 . 1 1 91 91 ALA CA C 91 54.726 54.726 54.939 -0.213 18976 520 1 . 1 1 91 91 ALA CB C 91 17.570 17.570 18.339 -0.769 18976 521 1 . 1 1 91 91 ALA H H 91 7.996 7.996 7.810 0.186 18976 522 1 . 1 1 92 92 PHE N N 92 119.368 119.368 119.236 0.132 18976 523 1 . 1 1 92 92 PHE HA H 92 3.130 3.130 3.762 -0.632 18976 524 1 . 1 1 92 92 PHE C C 92 176.454 176.454 176.954 -0.500 18976 525 1 . 1 1 92 92 PHE CA C 92 61.232 61.232 60.963 0.268 18976 526 1 . 1 1 92 92 PHE CB C 92 38.927 38.927 39.031 -0.104 18976 527 1 . 1 1 92 92 PHE H H 92 8.360 8.360 8.244 0.116 18976 528 1 . 1 1 93 93 ARG N N 93 117.178 117.178 119.284 -2.106 18976 529 1 . 1 1 93 93 ARG HA H 93 3.865 3.865 3.933 -0.068 18976 530 1 . 1 1 93 93 ARG C C 93 178.421 178.421 178.148 0.273 18976 531 1 . 1 1 93 93 ARG CA C 93 58.841 58.841 58.974 -0.133 18976 532 1 . 1 1 93 93 ARG CB C 93 29.906 29.906 30.080 -0.174 18976 533 1 . 1 1 93 93 ARG H H 93 7.895 7.895 7.493 0.402 18976 534 1 . 1 1 94 94 VAL N N 94 115.719 115.719 118.117 -2.398 18976 535 1 . 1 1 94 94 VAL HA H 94 3.600 3.600 3.672 -0.072 18976 536 1 . 1 1 94 94 VAL C C 94 177.334 177.334 177.678 -0.344 18976 537 1 . 1 1 94 94 VAL CA C 94 65.032 65.032 65.665 -0.633 18976 538 1 . 1 1 94 94 VAL CB C 94 31.544 31.544 31.544 -0.001 18976 539 1 . 1 1 94 94 VAL H H 94 7.541 7.541 7.818 -0.277 18976 540 1 . 1 1 95 95 GLU N N 95 117.921 117.921 116.758 1.163 18976 541 1 . 1 1 95 95 GLU HA H 95 4.008 4.008 4.073 -0.065 18976 542 1 . 1 1 95 95 GLU C C 95 176.953 176.953 176.800 0.153 18976 543 1 . 1 1 95 95 GLU CA C 95 58.256 58.256 58.141 0.115 18976 544 1 . 1 1 95 95 GLU CB C 95 28.687 28.687 29.924 -1.237 18976 545 1 . 1 1 95 95 GLU H H 95 7.011 7.011 7.620 -0.609 18976 546 1 . 1 1 96 96 ASP N N 96 117.365 117.365 118.983 -1.618 18976 547 1 . 1 1 96 96 ASP HA H 96 4.450 4.450 4.832 -0.382 18976 548 1 . 1 1 96 96 ASP C C 96 177.202 177.202 176.337 0.866 18976 549 1 . 1 1 96 96 ASP CA C 96 51.473 51.473 52.770 -1.297 18976 550 1 . 1 1 96 96 ASP CB C 96 38.074 38.074 40.010 -1.936 18976 551 1 . 1 1 96 96 ASP H H 96 7.626 7.626 7.551 0.075 18976 552 1 . 1 1 97 97 LYS N N 97 124.733 124.733 123.359 1.374 18976 553 1 . 1 1 97 97 LYS HA H 97 3.901 3.901 4.031 -0.130 18976 554 1 . 1 1 97 97 LYS C C 97 178.333 178.333 177.836 0.496 18976 555 1 . 1 1 97 97 LYS CA C 97 58.605 58.605 58.154 0.451 18976 556 1 . 1 1 97 97 LYS CB C 97 32.430 32.430 32.411 0.019 18976 557 1 . 1 1 97 97 LYS H H 97 7.357 7.357 7.879 -0.522 18976 558 1 . 1 1 98 98 ASP N N 98 114.048 114.048 115.545 -1.497 18976 559 1 . 1 1 98 98 ASP HA H 98 4.568 4.568 4.469 0.099 18976 560 1 . 1 1 98 98 ASP C C 98 177.775 177.775 177.453 0.322 18976 561 1 . 1 1 98 98 ASP CA C 98 52.657 52.657 54.138 -1.481 18976 562 1 . 1 1 98 98 ASP CB C 98 39.593 39.593 40.253 -0.660 18976 563 1 . 1 1 98 98 ASP H H 98 8.352 8.352 8.034 0.318 18976 564 1 . 1 1 99 99 GLY N N 99 109.454 109.454 109.218 0.236 18976 565 1 . 1 1 99 99 GLY C C 99 175.082 175.082 175.063 0.019 18976 566 1 . 1 1 99 99 GLY CA C 99 46.827 46.827 45.785 1.042 18976 567 1 . 1 1 99 99 GLY H H 99 7.828 7.828 7.984 -0.156 18976 568 1 . 1 1 100 100 ASN N N 100 119.607 119.607 118.646 0.961 18976 569 1 . 1 1 100 100 ASN HA H 100 4.635 4.635 4.726 -0.091 18976 570 1 . 1 1 100 100 ASN C C 100 175.969 175.969 176.591 -0.622 18976 571 1 . 1 1 100 100 ASN CA C 100 52.483 52.483 52.892 -0.409 18976 572 1 . 1 1 100 100 ASN CB C 100 37.881 37.881 39.329 -1.448 18976 573 1 . 1 1 100 100 ASN H H 100 8.334 8.334 8.371 -0.037 18976 574 1 . 1 1 101 101 GLY N N 101 113.007 113.007 107.743 5.264 18976 575 1 . 1 1 101 101 GLY C C 101 172.314 172.314 172.900 -0.586 18976 576 1 . 1 1 101 101 GLY CA C 101 44.682 44.682 45.065 -0.383 18976 577 1 . 1 1 101 101 GLY H H 101 10.640 10.640 8.577 2.063 18976 578 1 . 1 1 102 102 TYR N N 102 115.913 115.913 117.111 -1.198 18976 579 1 . 1 1 102 102 TYR HA H 102 5.186 5.186 5.342 -0.156 18976 580 1 . 1 1 102 102 TYR C C 102 174.736 174.736 174.530 0.206 18976 581 1 . 1 1 102 102 TYR CA C 102 55.662 55.662 56.031 -0.370 18976 582 1 . 1 1 102 102 TYR CB C 102 42.801 42.801 41.036 1.765 18976 583 1 . 1 1 102 102 TYR H H 102 7.610 7.610 8.087 -0.477 18976 584 1 . 1 1 103 103 ILE N N 103 127.698 127.698 123.612 4.086 18976 585 1 . 1 1 103 103 ILE HA H 103 4.816 4.816 4.553 0.263 18976 586 1 . 1 1 103 103 ILE C C 103 175.634 175.634 175.836 -0.202 18976 587 1 . 1 1 103 103 ILE CA C 103 60.438 60.438 59.763 0.675 18976 588 1 . 1 1 103 103 ILE CB C 103 38.919 38.919 39.255 -0.336 18976 589 1 . 1 1 103 103 ILE H H 103 10.228 10.228 8.360 1.868 18976 590 1 . 1 1 104 104 SER N N 104 123.581 123.581 121.554 2.027 18976 591 1 . 1 1 104 104 SER HA H 104 4.849 4.849 5.118 -0.269 18976 592 1 . 1 1 104 104 SER C C 104 175.191 175.191 175.256 -0.065 18976 593 1 . 1 1 104 104 SER CA C 104 55.499 55.499 55.433 0.066 18976 594 1 . 1 1 104 104 SER CB C 104 66.371 66.371 65.633 0.739 18976 595 1 . 1 1 104 104 SER H H 104 8.947 8.947 8.286 0.661 18976 596 1 . 1 1 105 105 ALA N N 105 122.829 122.829 125.194 -2.365 18976 597 1 . 1 1 105 105 ALA HA H 105 3.929 3.929 4.069 -0.140 18976 598 1 . 1 1 105 105 ALA C C 105 179.272 179.272 178.817 0.455 18976 599 1 . 1 1 105 105 ALA CA C 105 55.660 55.660 55.473 0.187 18976 600 1 . 1 1 105 105 ALA CB C 105 17.683 17.683 18.559 -0.876 18976 601 1 . 1 1 105 105 ALA H H 105 9.251 9.251 9.097 0.154 18976 602 1 . 1 1 106 106 ALA N N 106 118.442 118.442 120.568 -2.126 18976 603 1 . 1 1 106 106 ALA HA H 106 4.037 4.037 3.971 0.066 18976 604 1 . 1 1 106 106 ALA C C 106 181.180 181.180 179.138 2.042 18976 605 1 . 1 1 106 106 ALA CA C 106 54.841 54.841 54.784 0.057 18976 606 1 . 1 1 106 106 ALA CB C 106 18.043 18.043 18.212 -0.169 18976 607 1 . 1 1 106 106 ALA H H 106 8.209 8.209 8.064 0.145 18976 608 1 . 1 1 107 107 GLU N N 107 118.406 118.406 118.660 -0.254 18976 609 1 . 1 1 107 107 GLU HA H 107 3.992 3.992 4.023 -0.031 18976 610 1 . 1 1 107 107 GLU C C 107 179.272 179.272 178.885 0.387 18976 611 1 . 1 1 107 107 GLU CA C 107 59.141 59.141 58.916 0.225 18976 612 1 . 1 1 107 107 GLU CB C 107 28.756 28.756 29.364 -0.608 18976 613 1 . 1 1 107 107 GLU H H 107 7.752 7.752 7.750 0.002 18976 614 1 . 1 1 108 108 LEU N N 108 122.413 122.413 119.869 2.544 18976 615 1 . 1 1 108 108 LEU HA H 108 4.072 4.072 3.986 0.086 18976 616 1 . 1 1 108 108 LEU C C 108 178.553 178.553 178.929 -0.376 18976 617 1 . 1 1 108 108 LEU CA C 108 57.292 57.292 57.953 -0.661 18976 618 1 . 1 1 108 108 LEU CB C 108 41.443 41.443 41.641 -0.198 18976 619 1 . 1 1 108 108 LEU H H 108 8.793 8.793 8.108 0.685 18976 620 1 . 1 1 109 109 ARG N N 109 118.074 118.074 118.556 -0.482 18976 621 1 . 1 1 109 109 ARG HA H 109 3.857 3.857 3.983 -0.126 18976 622 1 . 1 1 109 109 ARG C C 109 179.140 179.140 178.966 0.174 18976 623 1 . 1 1 109 109 ARG CA C 109 59.786 59.786 59.437 0.350 18976 624 1 . 1 1 109 109 ARG CB C 109 29.824 29.824 30.026 -0.203 18976 625 1 . 1 1 109 109 ARG H H 109 8.421 8.421 7.790 0.631 18976 626 1 . 1 1 110 110 ILE N N 110 120.191 120.191 118.110 2.081 18976 627 1 . 1 1 110 110 ILE HA H 110 3.787 3.787 3.990 -0.203 18976 628 1 . 1 1 110 110 ILE C C 110 177.804 177.804 177.664 0.140 18976 629 1 . 1 1 110 110 ILE CA C 110 64.553 64.553 63.759 0.793 18976 630 1 . 1 1 110 110 ILE CB C 110 38.058 38.058 38.016 0.042 18976 631 1 . 1 1 110 110 ILE H H 110 7.401 7.401 7.507 -0.106 18976 632 1 . 1 1 111 111 VAL N N 111 120.330 120.330 120.730 -0.400 18976 633 1 . 1 1 111 111 VAL HA H 111 3.763 3.763 3.750 0.014 18976 634 1 . 1 1 111 111 VAL C C 111 178.802 178.802 177.700 1.101 18976 635 1 . 1 1 111 111 VAL CA C 111 65.690 65.690 65.808 -0.118 18976 636 1 . 1 1 111 111 VAL CB C 111 31.592 31.592 31.907 -0.315 18976 637 1 . 1 1 111 111 VAL H H 111 7.907 7.907 7.549 0.358 18976 638 1 . 1 1 112 112 MET N N 112 116.794 116.794 117.466 -0.672 18976 639 1 . 1 1 112 112 MET HA H 112 4.396 4.396 4.281 0.115 18976 640 1 . 1 1 112 112 MET C C 112 178.890 178.890 178.382 0.508 18976 641 1 . 1 1 112 112 MET CA C 112 56.719 56.719 56.722 -0.002 18976 642 1 . 1 1 112 112 MET CB C 112 30.384 30.384 31.081 -0.697 18976 643 1 . 1 1 112 112 MET H H 112 8.355 8.355 8.271 0.084 18976 644 1 . 1 1 113 113 THR N N 113 117.282 117.282 113.766 3.516 18976 645 1 . 1 1 113 113 THR HA H 113 4.187 4.187 4.026 0.161 18976 646 1 . 1 1 113 113 THR C C 113 178.112 178.112 176.411 1.701 18976 647 1 . 1 1 113 113 THR CA C 113 65.902 65.902 66.129 -0.227 18976 648 1 . 1 1 113 113 THR CB C 113 68.642 68.642 68.483 0.159 18976 649 1 . 1 1 113 113 THR H H 113 8.314 8.314 7.800 0.514 18976 650 1 . 1 1 114 114 ASN N N 114 122.220 122.220 118.677 3.543 18976 651 1 . 1 1 114 114 ASN HA H 114 4.592 4.592 4.590 0.002 18976 652 1 . 1 1 114 114 ASN C C 114 176.644 176.644 176.936 -0.292 18976 653 1 . 1 1 114 114 ASN CA C 114 55.154 55.154 54.857 0.297 18976 654 1 . 1 1 114 114 ASN CB C 114 37.596 37.596 38.540 -0.944 18976 655 1 . 1 1 114 114 ASN H H 114 8.483 8.483 7.693 0.790 18976 656 1 . 1 1 115 115 ARG N N 115 117.970 117.970 118.417 -0.447 18976 657 1 . 1 1 115 115 ARG HA H 115 4.429 4.429 4.350 0.079 18976 658 1 . 1 1 115 115 ARG C C 115 176.366 176.366 177.163 -0.797 18976 659 1 . 1 1 115 115 ARG CA C 115 56.399 56.399 56.617 -0.218 18976 660 1 . 1 1 115 115 ARG CB C 115 30.500 30.500 30.323 0.177 18976 661 1 . 1 1 115 115 ARG H H 115 7.776 7.776 8.021 -0.245 18976 662 1 . 1 1 116 116 GLY N N 116 107.547 107.547 106.759 0.788 18976 663 1 . 1 1 116 116 GLY C C 116 174.384 174.384 174.814 -0.430 18976 664 1 . 1 1 116 116 GLY CA C 116 45.207 45.207 45.526 -0.319 18976 665 1 . 1 1 116 116 GLY H H 116 7.968 7.968 7.837 0.131 18976 666 1 . 1 1 117 117 GLU N N 117 119.975 119.975 120.642 -0.667 18976 667 1 . 1 1 117 117 GLU HA H 117 4.406 4.406 4.430 -0.024 18976 668 1 . 1 1 117 117 GLU C C 117 175.558 175.558 175.640 -0.082 18976 669 1 . 1 1 117 117 GLU CA C 117 55.177 55.177 54.738 0.439 18976 670 1 . 1 1 117 117 GLU CB C 117 30.400 30.400 29.564 0.836 18976 671 1 . 1 1 117 117 GLU H H 117 7.934 7.934 8.060 -0.126 18976 672 1 . 1 1 118 118 LYS N N 118 124.035 124.035 121.037 2.998 18976 673 1 . 1 1 118 118 LYS HA H 118 4.404 4.404 4.178 0.226 18976 674 1 . 1 1 118 118 LYS C C 118 175.441 175.441 175.815 -0.374 18976 675 1 . 1 1 118 118 LYS CA C 118 55.267 55.267 56.740 -1.473 18976 676 1 . 1 1 118 118 LYS CB C 118 31.850 31.850 32.617 -0.767 18976 677 1 . 1 1 118 118 LYS H H 118 8.626 8.626 7.807 0.819 18976 678 1 . 1 1 119 119 LEU N N 119 124.745 124.745 126.342 -1.597 18976 679 1 . 1 1 119 119 LEU HA H 119 4.770 4.770 4.679 0.091 18976 680 1 . 1 1 119 119 LEU C C 119 178.127 178.127 177.073 1.054 18976 681 1 . 1 1 119 119 LEU CA C 119 53.839 53.839 53.135 0.704 18976 682 1 . 1 1 119 119 LEU CB C 119 44.323 44.323 44.168 0.155 18976 683 1 . 1 1 119 119 LEU H H 119 8.140 8.140 8.200 -0.060 18976 684 1 . 1 1 120 120 THR N N 120 114.555 114.555 115.812 -1.257 18976 685 1 . 1 1 120 120 THR HA H 120 4.477 4.477 4.266 0.212 18976 686 1 . 1 1 120 120 THR C C 120 175.514 175.514 175.311 0.203 18976 687 1 . 1 1 120 120 THR CA C 120 60.613 60.613 62.269 -1.656 18976 688 1 . 1 1 120 120 THR CB C 120 70.902 70.902 69.877 1.025 18976 689 1 . 1 1 120 120 THR H H 120 9.220 9.220 8.334 0.886 18976 690 1 . 1 1 121 121 ASP N N 121 121.128 121.128 122.179 -1.051 18976 691 1 . 1 1 121 121 ASP HA H 121 4.228 4.228 4.255 -0.027 18976 692 1 . 1 1 121 121 ASP C C 121 178.655 178.655 178.157 0.498 18976 693 1 . 1 1 121 121 ASP CA C 121 57.752 57.752 57.700 0.052 18976 694 1 . 1 1 121 121 ASP CB C 121 39.315 39.315 40.703 -1.388 18976 695 1 . 1 1 121 121 ASP H H 121 8.921 8.921 8.791 0.130 18976 696 1 . 1 1 122 122 GLU N N 122 119.266 119.266 119.017 0.249 18976 697 1 . 1 1 122 122 GLU HA H 122 4.119 4.119 4.063 0.056 18976 698 1 . 1 1 122 122 GLU C C 122 179.184 179.184 178.467 0.717 18976 699 1 . 1 1 122 122 GLU CA C 122 59.772 59.772 59.111 0.661 18976 700 1 . 1 1 122 122 GLU CB C 122 28.866 28.866 29.397 -0.531 18976 701 1 . 1 1 122 122 GLU H H 122 8.712 8.712 8.467 0.245 18976 702 1 . 1 1 123 123 GLU N N 123 120.455 120.455 118.456 1.999 18976 703 1 . 1 1 123 123 GLU HA H 123 4.023 4.023 4.176 -0.153 18976 704 1 . 1 1 123 123 GLU C C 123 180.123 180.123 179.181 0.942 18976 705 1 . 1 1 123 123 GLU CA C 123 59.090 59.090 58.869 0.221 18976 706 1 . 1 1 123 123 GLU CB C 123 30.213 30.213 29.440 0.773 18976 707 1 . 1 1 123 123 GLU H H 123 7.763 7.763 8.137 -0.374 18976 708 1 . 1 1 124 124 VAL N N 124 121.726 121.726 115.554 6.172 18976 709 1 . 1 1 124 124 VAL HA H 124 3.607 3.607 3.811 -0.204 18976 710 1 . 1 1 124 124 VAL C C 124 177.337 177.337 177.291 0.046 18976 711 1 . 1 1 124 124 VAL CA C 124 66.732 66.732 65.952 0.780 18976 712 1 . 1 1 124 124 VAL CB C 124 31.042 31.042 31.318 -0.276 18976 713 1 . 1 1 124 124 VAL H H 124 8.119 8.119 8.054 0.065 18976 714 1 . 1 1 125 125 ASP N N 125 119.880 119.880 120.324 -0.444 18976 715 1 . 1 1 125 125 ASP HA H 125 4.351 4.351 4.409 -0.058 18976 716 1 . 1 1 125 125 ASP C C 125 179.323 179.323 178.044 1.279 18976 717 1 . 1 1 125 125 ASP CA C 125 57.375 57.375 57.347 0.028 18976 718 1 . 1 1 125 125 ASP CB C 125 40.112 40.112 40.899 -0.787 18976 719 1 . 1 1 125 125 ASP H H 125 8.051 8.051 7.709 0.342 18976 720 1 . 1 1 126 126 GLU N N 126 119.798 119.798 119.915 -0.117 18976 721 1 . 1 1 126 126 GLU HA H 126 4.021 4.021 4.036 -0.015 18976 722 1 . 1 1 126 126 GLU C C 126 177.966 177.966 178.765 -0.799 18976 723 1 . 1 1 126 126 GLU CA C 126 58.973 58.973 59.216 -0.243 18976 724 1 . 1 1 126 126 GLU CB C 126 29.084 29.084 29.503 -0.419 18976 725 1 . 1 1 126 126 GLU H H 126 8.047 8.047 7.862 0.185 18976 726 1 . 1 1 127 127 MET N N 127 119.443 119.443 117.735 1.708 18976 727 1 . 1 1 127 127 MET HA H 127 4.137 4.137 4.254 -0.117 18976 728 1 . 1 1 127 127 MET C C 127 179.859 179.859 178.771 1.088 18976 729 1 . 1 1 127 127 MET CA C 127 59.137 59.137 58.190 0.947 18976 730 1 . 1 1 127 127 MET CB C 127 32.239 32.239 32.161 0.078 18976 731 1 . 1 1 127 127 MET H H 127 7.795 7.795 7.564 0.231 18976 732 1 . 1 1 128 128 ILE N N 128 120.667 120.667 119.502 1.165 18976 733 1 . 1 1 128 128 ILE HA H 128 3.521 3.521 3.692 -0.171 18976 734 1 . 1 1 128 128 ILE C C 128 177.657 177.657 178.103 -0.446 18976 735 1 . 1 1 128 128 ILE CA C 128 63.812 63.812 64.671 -0.859 18976 736 1 . 1 1 128 128 ILE CB C 128 35.987 35.987 37.059 -1.072 18976 737 1 . 1 1 128 128 ILE H H 128 8.158 8.158 7.786 0.371 18976 738 1 . 1 1 129 129 ARG N N 129 119.725 119.725 118.617 1.108 18976 739 1 . 1 1 129 129 ARG HA H 129 4.069 4.069 4.183 -0.114 18976 740 1 . 1 1 129 129 ARG C C 129 178.920 178.920 178.120 0.800 18976 741 1 . 1 1 129 129 ARG CA C 129 59.615 59.615 58.698 0.917 18976 742 1 . 1 1 129 129 ARG CB C 129 29.882 29.882 30.102 -0.220 18976 743 1 . 1 1 129 129 ARG H H 129 8.270 8.270 7.680 0.590 18976 744 1 . 1 1 130 130 GLU N N 130 115.236 115.236 117.014 -1.778 18976 745 1 . 1 1 130 130 GLU HA H 130 4.094 4.094 4.165 -0.072 18976 746 1 . 1 1 130 130 GLU C C 130 177.349 177.349 177.849 -0.500 18976 747 1 . 1 1 130 130 GLU CA C 130 57.900 57.900 58.576 -0.676 18976 748 1 . 1 1 130 130 GLU CB C 130 29.823 29.823 29.584 0.239 18976 749 1 . 1 1 130 130 GLU H H 130 7.953 7.953 7.961 -0.008 18976 750 1 . 1 1 131 131 THR N N 131 112.585 112.585 111.611 0.974 18976 751 1 . 1 1 131 131 THR HA H 131 4.239 4.239 4.315 -0.076 18976 752 1 . 1 1 131 131 THR C C 131 174.149 174.149 173.857 0.292 18976 753 1 . 1 1 131 131 THR CA C 131 62.887 62.887 63.494 -0.607 18976 754 1 . 1 1 131 131 THR CB C 131 69.337 69.337 70.035 -0.698 18976 755 1 . 1 1 131 131 THR H H 131 7.465 7.465 7.532 -0.067 18976 756 1 . 1 1 132 132 ASP N N 132 121.237 121.237 120.470 0.767 18976 757 1 . 1 1 132 132 ASP HA H 132 4.478 4.478 4.830 -0.352 18976 758 1 . 1 1 132 132 ASP C C 132 175.777 175.777 176.623 -0.846 18976 759 1 . 1 1 132 132 ASP CA C 132 53.954 53.954 52.846 1.108 18976 760 1 . 1 1 132 132 ASP CB C 132 40.440 40.440 42.699 -2.259 18976 761 1 . 1 1 132 132 ASP H H 132 8.070 8.070 7.906 0.164 18976 762 1 . 1 1 133 133 ILE N N 133 127.244 127.244 122.789 4.455 18976 763 1 . 1 1 133 133 ILE HA H 133 3.976 3.976 4.125 -0.149 18976 764 1 . 1 1 133 133 ILE C C 133 177.628 177.628 176.386 1.242 18976 765 1 . 1 1 133 133 ILE CA C 133 62.866 62.866 62.257 0.609 18976 766 1 . 1 1 133 133 ILE CB C 133 38.478 38.478 38.496 -0.018 18976 767 1 . 1 1 133 133 ILE H H 133 8.345 8.345 8.437 -0.092 18976 768 1 . 1 1 134 134 ASP N N 134 116.893 116.893 119.214 -2.321 18976 769 1 . 1 1 134 134 ASP HA H 134 4.533 4.533 4.569 -0.036 18976 770 1 . 1 1 134 134 ASP C C 134 178.259 178.259 177.407 0.852 18976 771 1 . 1 1 134 134 ASP CA C 134 53.543 53.543 53.946 -0.403 18976 772 1 . 1 1 134 134 ASP CB C 134 39.838 39.838 40.689 -0.851 18976 773 1 . 1 1 134 134 ASP H H 134 8.297 8.297 8.050 0.247 18976 774 1 . 1 1 135 135 GLY N N 135 108.287 108.287 108.566 -0.279 18976 775 1 . 1 1 135 135 GLY C C 135 175.250 175.250 175.397 -0.147 18976 776 1 . 1 1 135 135 GLY CA C 135 47.097 47.097 46.004 1.093 18976 777 1 . 1 1 135 135 GLY H H 135 7.623 7.623 8.079 -0.456 18976 778 1 . 1 1 136 136 ASP N N 136 120.541 120.541 120.152 0.389 18976 779 1 . 1 1 136 136 ASP HA H 136 4.480 4.480 4.533 -0.053 18976 780 1 . 1 1 136 136 ASP C C 136 177.584 177.584 177.779 -0.195 18976 781 1 . 1 1 136 136 ASP CA C 136 53.375 53.375 53.533 -0.158 18976 782 1 . 1 1 136 136 ASP CB C 136 39.893 39.893 40.977 -1.084 18976 783 1 . 1 1 136 136 ASP H H 136 8.290 8.290 8.239 0.051 18976 784 1 . 1 1 137 137 GLY N N 137 112.490 112.490 108.867 3.623 18976 785 1 . 1 1 137 137 GLY C C 137 172.828 172.828 173.269 -0.441 18976 786 1 . 1 1 137 137 GLY CA C 137 45.470 45.470 45.277 0.193 18976 787 1 . 1 1 137 137 GLY H H 137 10.224 10.224 8.216 2.008 18976 788 1 . 1 1 138 138 GLN N N 138 115.266 115.266 117.610 -2.344 18976 789 1 . 1 1 138 138 GLN HA H 138 4.869 4.869 5.335 -0.466 18976 790 1 . 1 1 138 138 GLN C C 138 174.677 174.677 174.782 -0.105 18976 791 1 . 1 1 138 138 GLN CA C 138 52.786 52.786 54.196 -1.410 18976 792 1 . 1 1 138 138 GLN CB C 138 31.743 31.743 33.417 -1.674 18976 793 1 . 1 1 138 138 GLN H H 138 7.992 7.992 8.252 -0.260 18976 794 1 . 1 1 139 139 VAL N N 139 125.667 125.667 123.947 1.720 18976 795 1 . 1 1 139 139 VAL HA H 139 5.112 5.112 4.619 0.493 18976 796 1 . 1 1 139 139 VAL C C 139 175.763 175.763 175.326 0.437 18976 797 1 . 1 1 139 139 VAL CA C 139 61.679 61.679 61.079 0.600 18976 798 1 . 1 1 139 139 VAL CB C 139 33.532 33.532 32.511 1.021 18976 799 1 . 1 1 139 139 VAL H H 139 9.227 9.227 8.559 0.668 18976 800 1 . 1 1 140 140 ASN N N 140 128.431 128.431 125.673 2.758 18976 801 1 . 1 1 140 140 ASN HA H 140 5.274 5.274 5.443 -0.169 18976 802 1 . 1 1 140 140 ASN C C 140 175.079 175.079 176.288 -1.209 18976 803 1 . 1 1 140 140 ASN CA C 140 50.666 50.666 51.298 -0.632 18976 804 1 . 1 1 140 140 ASN CB C 140 38.227 38.227 41.052 -2.825 18976 805 1 . 1 1 140 140 ASN H H 140 9.360 9.360 8.528 0.832 18976 806 1 . 1 1 141 141 TYR N N 141 119.146 119.146 121.404 -2.258 18976 807 1 . 1 1 141 141 TYR HA H 141 3.386 3.386 3.795 -0.409 18976 808 1 . 1 1 141 141 TYR C C 141 176.092 176.092 177.416 -1.324 18976 809 1 . 1 1 141 141 TYR CA C 141 62.058 62.058 62.398 -0.340 18976 810 1 . 1 1 141 141 TYR CB C 141 37.359 37.359 38.299 -0.940 18976 811 1 . 1 1 141 141 TYR H H 141 8.451 8.451 8.924 -0.473 18976 812 1 . 1 1 142 142 GLU N N 142 118.431 118.431 118.955 -0.524 18976 813 1 . 1 1 142 142 GLU HA H 142 3.682 3.682 3.979 -0.296 18976 814 1 . 1 1 142 142 GLU C C 142 180.226 180.226 178.368 1.858 18976 815 1 . 1 1 142 142 GLU CA C 142 60.083 60.083 59.596 0.487 18976 816 1 . 1 1 142 142 GLU CB C 142 28.546 28.546 29.042 -0.496 18976 817 1 . 1 1 142 142 GLU H H 142 8.097 8.097 8.496 -0.399 18976 818 1 . 1 1 143 143 GLU N N 143 120.068 120.068 118.924 1.144 18976 819 1 . 1 1 143 143 GLU HA H 143 3.990 3.990 4.179 -0.189 18976 820 1 . 1 1 143 143 GLU C C 143 179.060 179.060 178.737 0.323 18976 821 1 . 1 1 143 143 GLU CA C 143 58.574 58.574 58.746 -0.172 18976 822 1 . 1 1 143 143 GLU CB C 143 29.182 29.182 29.535 -0.353 18976 823 1 . 1 1 143 143 GLU H H 143 8.667 8.667 8.044 0.623 18976 824 1 . 1 1 144 144 PHE N N 144 123.392 123.392 122.056 1.336 18976 825 1 . 1 1 144 144 PHE HA H 144 3.967 3.967 4.243 -0.276 18976 826 1 . 1 1 144 144 PHE C C 144 176.982 176.982 177.404 -0.422 18976 827 1 . 1 1 144 144 PHE CA C 144 61.446 61.446 61.214 0.232 18976 828 1 . 1 1 144 144 PHE CB C 144 39.695 39.695 39.444 0.251 18976 829 1 . 1 1 144 144 PHE H H 144 8.731 8.731 8.669 0.062 18976 830 1 . 1 1 145 145 VAL N N 145 119.201 119.201 117.922 1.279 18976 831 1 . 1 1 145 145 VAL HA H 145 3.193 3.193 3.440 -0.247 18976 832 1 . 1 1 145 145 VAL C C 145 179.228 179.228 177.565 1.663 18976 833 1 . 1 1 145 145 VAL CA C 145 66.662 66.662 65.805 0.857 18976 834 1 . 1 1 145 145 VAL CB C 145 31.284 31.284 31.217 0.067 18976 835 1 . 1 1 145 145 VAL H H 145 8.671 8.671 7.833 0.838 18976 836 1 . 1 1 146 146 GLN N N 146 119.252 119.252 118.923 0.329 18976 837 1 . 1 1 146 146 GLN HA H 146 3.916 3.916 3.938 -0.022 18976 838 1 . 1 1 146 146 GLN C C 146 177.825 177.825 177.909 -0.084 18976 839 1 . 1 1 146 146 GLN CA C 146 58.567 58.567 58.964 -0.397 18976 840 1 . 1 1 146 146 GLN CB C 146 27.820 27.820 28.246 -0.426 18976 841 1 . 1 1 146 146 GLN H H 146 7.767 7.767 7.782 -0.015 18976 842 1 . 1 1 147 147 ARG N N 147 118.529 118.529 118.927 -0.398 18976 843 1 . 1 1 147 147 ARG HA H 147 4.172 4.172 4.071 0.101 18976 844 1 . 1 1 147 147 ARG C C 147 178.112 178.112 178.186 -0.074 18976 845 1 . 1 1 147 147 ARG CA C 147 57.509 57.509 58.542 -1.033 18976 846 1 . 1 1 147 147 ARG CB C 147 30.114 30.114 29.870 0.244 18976 847 1 . 1 1 147 147 ARG H H 147 7.628 7.628 7.510 0.118 18976 848 1 . 1 1 148 148 MET N N 148 115.755 115.755 116.525 -0.770 18976 849 1 . 1 1 148 148 MET HA H 148 4.304 4.304 4.250 0.054 18976 850 1 . 1 1 148 148 MET C C 148 177.628 177.628 177.869 -0.241 18976 851 1 . 1 1 148 148 MET CA C 148 55.489 55.489 57.109 -1.620 18976 852 1 . 1 1 148 148 MET CB C 148 31.773 31.773 32.172 -0.399 18976 853 1 . 1 1 148 148 MET H H 148 8.003 8.003 7.586 0.417 18976 854 1 . 1 1 149 149 THR N N 149 110.062 110.062 113.442 -3.380 18976 855 1 . 1 1 149 149 THR HA H 149 4.349 4.349 4.193 0.156 18976 856 1 . 1 1 149 149 THR C C 149 174.149 174.149 174.828 -0.679 18976 857 1 . 1 1 149 149 THR CA C 149 61.775 61.775 64.149 -2.373 18976 858 1 . 1 1 149 149 THR CB C 149 69.780 69.780 69.161 0.619 18976 859 1 . 1 1 149 149 THR H H 149 7.682 7.682 7.751 -0.069 18976 860 1 . 1 1 150 150 ALA N N 150 126.503 126.503 123.377 3.126 18976 861 1 . 1 1 150 150 ALA HA H 150 4.330 4.330 4.202 0.128 18976 862 1 . 1 1 150 150 ALA CA C 150 52.535 52.535 52.345 0.190 18976 863 1 . 1 1 150 150 ALA CB C 150 18.734 18.734 18.764 -0.030 18976 864 1 . 1 1 150 150 ALA H H 150 7.651 7.651 7.562 0.089 18976 stop_ save_