data_18942 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18942 _Entry.PDB_ID 2M32 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 18942 _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 THR N N 2 115.468 115.468 119.933 -4.465 18942 2 1 1 . 1 1 2 2 THR C C 2 174.211 174.211 174.023 0.188 18942 3 1 1 . 1 1 2 2 THR CA C 2 61.939 61.939 61.687 0.252 18942 4 1 1 . 1 1 2 2 THR CB C 2 70.018 70.018 68.195 1.823 18942 5 1 1 . 1 1 2 2 THR H H 2 8.002 8.002 8.604 -0.602 18942 6 1 1 . 1 1 3 3 GLN N N 3 122.804 122.804 120.260 2.544 18942 7 1 1 . 1 1 3 3 GLN C C 3 174.443 174.443 174.477 -0.034 18942 8 1 1 . 1 1 3 3 GLN CA C 3 56.560 56.560 54.712 1.848 18942 9 1 1 . 1 1 3 3 GLN CB C 3 30.049 30.049 30.547 -0.498 18942 10 1 1 . 1 1 3 3 GLN H H 3 8.225 8.225 7.664 0.561 18942 11 1 1 . 1 1 4 4 LEU N N 4 120.941 120.941 114.032 6.909 18942 12 1 1 . 1 1 4 4 LEU C C 4 174.867 174.867 174.866 0.001 18942 13 1 1 . 1 1 4 4 LEU CA C 4 54.500 54.500 53.525 0.975 18942 14 1 1 . 1 1 4 4 LEU CB C 4 47.427 47.427 45.820 1.607 18942 15 1 1 . 1 1 4 4 LEU H H 4 6.832 6.832 7.981 -1.149 18942 16 1 1 . 1 1 5 5 ASP N N 5 125.936 125.936 122.001 3.935 18942 17 1 1 . 1 1 5 5 ASP C C 5 173.417 173.417 175.288 -1.871 18942 18 1 1 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.916 -0.309 18942 19 1 1 . 1 1 5 5 ASP CB C 5 42.393 42.393 41.515 0.878 18942 20 1 1 . 1 1 5 5 ASP H H 5 8.760 8.760 8.429 0.331 18942 21 1 1 . 1 1 6 6 ILE N N 6 122.489 122.489 124.935 -2.446 18942 22 1 1 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.993 0.125 18942 23 1 1 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.234 -1.440 18942 24 1 1 . 1 1 6 6 ILE H H 6 8.897 8.897 9.314 -0.417 18942 25 1 1 . 1 1 7 7 VAL N N 7 124.979 124.979 125.980 -1.001 18942 26 1 1 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.402 0.664 18942 27 1 1 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.448 -1.286 18942 28 1 1 . 1 1 7 7 VAL H H 7 9.009 9.009 9.164 -0.155 18942 29 1 1 . 1 1 8 8 ILE N N 8 127.861 127.861 128.045 -0.184 18942 30 1 1 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.203 1.638 18942 31 1 1 . 1 1 8 8 ILE CB C 8 38.016 38.016 39.009 -0.993 18942 32 1 1 . 1 1 8 8 ILE H H 8 8.758 8.758 9.234 -0.476 18942 33 1 1 . 1 1 9 9 VAL N N 9 129.205 129.205 127.387 1.818 18942 34 1 1 . 1 1 9 9 VAL C C 9 173.949 173.949 175.107 -1.158 18942 35 1 1 . 1 1 9 9 VAL CA C 9 61.475 61.475 60.877 0.598 18942 36 1 1 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.785 -0.389 18942 37 1 1 . 1 1 9 9 VAL H H 9 9.713 9.713 9.225 0.488 18942 38 1 1 . 1 1 10 10 LEU N N 10 123.753 123.753 127.137 -3.384 18942 39 1 1 . 1 1 10 10 LEU C C 10 174.175 174.175 174.541 -0.366 18942 40 1 1 . 1 1 10 10 LEU CA C 10 53.726 53.726 53.193 0.533 18942 41 1 1 . 1 1 10 10 LEU CB C 10 44.609 44.609 44.738 -0.129 18942 42 1 1 . 1 1 10 10 LEU H H 10 9.261 9.261 9.464 -0.203 18942 43 1 1 . 1 1 11 11 ASP N N 11 125.333 125.333 119.809 5.524 18942 44 1 1 . 1 1 11 11 ASP C C 11 174.405 174.405 176.277 -1.872 18942 45 1 1 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.239 1.314 18942 46 1 1 . 1 1 11 11 ASP CB C 11 41.590 41.590 43.869 -2.279 18942 47 1 1 . 1 1 11 11 ASP H H 11 7.867 7.867 8.478 -0.611 18942 48 1 1 . 1 1 12 12 GLY N N 12 113.584 113.584 111.227 2.357 18942 49 1 1 . 1 1 12 12 GLY C C 12 176.010 176.010 174.041 1.969 18942 50 1 1 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.528 0.186 18942 51 1 1 . 1 1 12 12 GLY H H 12 8.825 8.825 8.225 0.600 18942 52 1 1 . 1 1 13 13 SER N N 13 114.408 114.408 117.295 -2.887 18942 53 1 1 . 1 1 13 13 SER C C 13 173.728 173.728 176.093 -2.365 18942 54 1 1 . 1 1 13 13 SER CA C 13 58.607 58.607 57.751 0.856 18942 55 1 1 . 1 1 13 13 SER CB C 13 64.366 64.366 64.950 -0.584 18942 56 1 1 . 1 1 13 13 SER H H 13 8.668 8.668 8.694 -0.026 18942 57 1 1 . 1 1 14 14 ASN N N 14 117.122 117.122 118.582 -1.460 18942 58 1 1 . 1 1 14 14 ASN C C 14 175.323 175.323 176.266 -0.943 18942 59 1 1 . 1 1 14 14 ASN CA C 14 55.132 55.132 55.262 -0.130 18942 60 1 1 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.170 -0.435 18942 61 1 1 . 1 1 14 14 ASN H H 14 8.800 8.800 8.447 0.353 18942 62 1 1 . 1 1 15 15 SER N N 15 109.840 109.840 113.188 -3.348 18942 63 1 1 . 1 1 15 15 SER C C 15 175.252 175.252 174.840 0.412 18942 64 1 1 . 1 1 15 15 SER CA C 15 60.352 60.352 59.504 0.848 18942 65 1 1 . 1 1 15 15 SER CB C 15 62.281 62.281 63.739 -1.458 18942 66 1 1 . 1 1 15 15 SER H H 15 8.949 8.949 7.639 1.310 18942 67 1 1 . 1 1 16 16 ILE N N 16 125.955 125.955 122.856 3.099 18942 68 1 1 . 1 1 16 16 ILE C C 16 175.772 175.772 175.054 0.718 18942 69 1 1 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.102 -0.683 18942 70 1 1 . 1 1 16 16 ILE CB C 16 34.858 34.858 38.739 -3.881 18942 71 1 1 . 1 1 16 16 ILE H H 16 7.463 7.463 7.487 -0.024 18942 72 1 1 . 1 1 17 17 TYR N N 17 125.148 125.148 126.544 -1.396 18942 73 1 1 . 1 1 17 17 TYR CA C 17 55.534 55.534 54.796 0.738 18942 74 1 1 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.343 5.290 18942 75 1 1 . 1 1 17 17 TYR H H 17 8.097 8.097 8.423 -0.326 18942 76 1 1 . 1 1 18 18 PRO C C 18 177.356 177.356 177.450 -0.094 18942 77 1 1 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.638 -0.932 18942 78 1 1 . 1 1 18 18 PRO CB C 18 32.970 32.970 31.701 1.269 18942 79 1 1 . 1 1 19 19 TRP N N 19 125.777 125.777 127.829 -2.052 18942 80 1 1 . 1 1 19 19 TRP C C 19 177.067 177.067 177.235 -0.168 18942 81 1 1 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.395 0.251 18942 82 1 1 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.798 -0.108 18942 83 1 1 . 1 1 19 19 TRP H H 19 9.064 9.064 9.093 -0.029 18942 84 1 1 . 1 1 20 20 ASP N N 20 112.639 112.639 118.728 -6.089 18942 85 1 1 . 1 1 20 20 ASP C C 20 178.681 178.681 178.506 0.175 18942 86 1 1 . 1 1 20 20 ASP CA C 20 56.214 56.214 56.729 -0.515 18942 87 1 1 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.218 0.166 18942 88 1 1 . 1 1 20 20 ASP H H 20 8.476 8.476 8.634 -0.158 18942 89 1 1 . 1 1 21 21 SER N N 21 113.464 113.464 115.700 -2.236 18942 90 1 1 . 1 1 21 21 SER C C 21 176.264 176.264 176.333 -0.069 18942 91 1 1 . 1 1 21 21 SER CA C 21 61.853 61.853 61.787 0.066 18942 92 1 1 . 1 1 21 21 SER CB C 21 63.207 63.207 63.034 0.173 18942 93 1 1 . 1 1 21 21 SER H H 21 7.436 7.436 8.183 -0.747 18942 94 1 1 . 1 1 22 22 VAL N N 22 123.136 123.136 122.049 1.087 18942 95 1 1 . 1 1 22 22 VAL C C 22 177.581 177.581 177.008 0.573 18942 96 1 1 . 1 1 22 22 VAL CA C 22 66.778 66.778 64.946 1.832 18942 97 1 1 . 1 1 22 22 VAL CB C 22 30.884 30.884 31.408 -0.524 18942 98 1 1 . 1 1 22 22 VAL H H 22 7.130 7.130 7.836 -0.706 18942 99 1 1 . 1 1 23 23 THR N N 23 110.025 110.025 113.991 -3.966 18942 100 1 1 . 1 1 23 23 THR C C 23 177.587 177.587 176.419 1.168 18942 101 1 1 . 1 1 23 23 THR CA C 23 66.080 66.080 66.227 -0.147 18942 102 1 1 . 1 1 23 23 THR CB C 23 68.089 68.089 68.451 -0.362 18942 103 1 1 . 1 1 23 23 THR H H 23 7.637 7.637 7.991 -0.354 18942 104 1 1 . 1 1 24 24 ALA N N 24 123.457 123.457 124.582 -1.125 18942 105 1 1 . 1 1 24 24 ALA C C 24 178.927 178.927 179.209 -0.282 18942 106 1 1 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.739 0.725 18942 107 1 1 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.046 0.445 18942 108 1 1 . 1 1 24 24 ALA H H 24 7.768 7.768 7.712 0.056 18942 109 1 1 . 1 1 25 25 PHE N N 25 118.072 118.072 120.318 -2.246 18942 110 1 1 . 1 1 25 25 PHE CA C 25 61.317 61.317 60.656 0.661 18942 111 1 1 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.164 -0.226 18942 112 1 1 . 1 1 25 25 PHE H H 25 7.064 7.064 7.872 -0.808 18942 113 1 1 . 1 1 26 26 LEU N N 26 115.251 115.251 119.502 -4.251 18942 114 1 1 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.970 -0.267 18942 115 1 1 . 1 1 26 26 LEU CB C 26 42.305 42.305 41.234 1.071 18942 116 1 1 . 1 1 26 26 LEU H H 26 8.016 8.016 8.673 -0.657 18942 117 1 1 . 1 1 27 27 ASN N N 27 114.759 114.759 118.858 -4.099 18942 118 1 1 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.925 0.598 18942 119 1 1 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.242 2.467 18942 120 1 1 . 1 1 27 27 ASN H H 27 7.842 7.842 8.280 -0.438 18942 121 1 1 . 1 1 28 28 ASP N N 28 116.899 116.899 120.282 -3.383 18942 122 1 1 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.114 -0.505 18942 123 1 1 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.680 -0.242 18942 124 1 1 . 1 1 28 28 ASP H H 28 7.802 7.802 8.004 -0.202 18942 125 1 1 . 1 1 29 29 LEU N N 29 118.230 118.230 122.602 -4.372 18942 126 1 1 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.898 -0.074 18942 127 1 1 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.587 0.426 18942 128 1 1 . 1 1 29 29 LEU H H 29 7.970 7.970 7.711 0.259 18942 129 1 1 . 1 1 30 30 LEU N N 30 114.781 114.781 118.129 -3.348 18942 130 1 1 . 1 1 30 30 LEU C C 30 178.917 178.917 179.369 -0.452 18942 131 1 1 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.046 0.647 18942 132 1 1 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.237 1.307 18942 133 1 1 . 1 1 30 30 LEU H H 30 8.000 8.000 8.311 -0.311 18942 134 1 1 . 1 1 31 31 GLU N N 31 113.705 113.705 117.785 -4.080 18942 135 1 1 . 1 1 31 31 GLU C C 31 177.554 177.554 178.868 -1.314 18942 136 1 1 . 1 1 31 31 GLU CA C 31 58.445 58.445 59.284 -0.839 18942 137 1 1 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.704 -0.280 18942 138 1 1 . 1 1 31 31 GLU H H 31 7.880 7.880 8.068 -0.188 18942 139 1 1 . 1 1 32 32 ARG N N 32 114.470 114.470 115.884 -1.414 18942 140 1 1 . 1 1 32 32 ARG C C 32 175.851 175.851 177.124 -1.273 18942 141 1 1 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.745 -1.196 18942 142 1 1 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.767 -0.181 18942 143 1 1 . 1 1 32 32 ARG H H 32 7.014 7.014 7.449 -0.435 18942 144 1 1 . 1 1 33 33 MET N N 33 116.853 116.853 118.421 -1.568 18942 145 1 1 . 1 1 33 33 MET C C 33 174.809 174.809 175.847 -1.038 18942 146 1 1 . 1 1 33 33 MET CA C 33 54.694 54.694 54.292 0.402 18942 147 1 1 . 1 1 33 33 MET CB C 33 35.436 35.436 32.519 2.917 18942 148 1 1 . 1 1 33 33 MET H H 33 7.528 7.528 7.366 0.162 18942 149 1 1 . 1 1 34 34 ASP N N 34 123.345 123.345 126.208 -2.863 18942 150 1 1 . 1 1 34 34 ASP C C 34 173.878 173.878 175.197 -1.319 18942 151 1 1 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.488 -1.316 18942 152 1 1 . 1 1 34 34 ASP CB C 34 40.891 40.891 39.895 0.996 18942 153 1 1 . 1 1 34 34 ASP H H 34 8.784 8.784 8.682 0.102 18942 154 1 1 . 1 1 35 35 ILE N N 35 123.293 123.293 123.685 -0.392 18942 155 1 1 . 1 1 35 35 ILE C C 35 176.589 176.589 175.884 0.705 18942 156 1 1 . 1 1 35 35 ILE CA C 35 58.830 58.830 60.623 -1.793 18942 157 1 1 . 1 1 35 35 ILE CB C 35 38.073 38.073 36.876 1.197 18942 158 1 1 . 1 1 35 35 ILE H H 35 7.188 7.188 7.520 -0.332 18942 159 1 1 . 1 1 36 36 GLY N N 36 112.822 112.822 114.434 -1.612 18942 160 1 1 . 1 1 36 36 GLY CA C 36 45.744 45.744 43.672 2.072 18942 161 1 1 . 1 1 36 36 GLY H H 36 8.748 8.748 7.747 1.001 18942 162 1 1 . 1 1 37 37 PRO C C 37 178.427 178.427 176.510 1.917 18942 163 1 1 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.058 0.791 18942 164 1 1 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.296 -0.094 18942 165 1 1 . 1 1 38 38 LYS N N 38 116.281 116.281 112.404 3.877 18942 166 1 1 . 1 1 38 38 LYS C C 38 176.306 176.306 174.745 1.561 18942 167 1 1 . 1 1 38 38 LYS CA C 38 54.664 54.664 55.978 -1.314 18942 168 1 1 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.355 0.290 18942 169 1 1 . 1 1 38 38 LYS H H 38 8.262 8.262 7.967 0.295 18942 170 1 1 . 1 1 39 39 GLN N N 39 121.587 121.587 118.211 3.376 18942 171 1 1 . 1 1 39 39 GLN C C 39 176.105 176.105 174.857 1.248 18942 172 1 1 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.771 0.677 18942 173 1 1 . 1 1 39 39 GLN CB C 39 29.540 29.540 32.157 -2.617 18942 174 1 1 . 1 1 39 39 GLN H H 39 7.680 7.680 7.365 0.315 18942 175 1 1 . 1 1 40 40 THR N N 40 124.944 124.944 114.822 10.122 18942 176 1 1 . 1 1 40 40 THR C C 40 172.592 172.592 173.763 -1.171 18942 177 1 1 . 1 1 40 40 THR CA C 40 63.650 63.650 63.157 0.493 18942 178 1 1 . 1 1 40 40 THR CB C 40 69.597 69.597 67.155 2.442 18942 179 1 1 . 1 1 40 40 THR H H 40 8.525 8.525 8.834 -0.309 18942 180 1 1 . 1 1 41 41 GLN N N 41 122.782 122.782 123.771 -0.989 18942 181 1 1 . 1 1 41 41 GLN C C 41 174.312 174.312 174.657 -0.345 18942 182 1 1 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.718 -0.569 18942 183 1 1 . 1 1 41 41 GLN CB C 41 33.926 33.926 30.477 3.449 18942 184 1 1 . 1 1 41 41 GLN H H 41 8.821 8.821 8.190 0.631 18942 185 1 1 . 1 1 42 42 VAL N N 42 118.560 118.560 125.380 -6.820 18942 186 1 1 . 1 1 42 42 VAL C C 42 173.505 173.505 175.558 -2.053 18942 187 1 1 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.730 -0.725 18942 188 1 1 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.210 2.625 18942 189 1 1 . 1 1 42 42 VAL H H 42 8.135 8.135 8.858 -0.723 18942 190 1 1 . 1 1 43 43 GLY N N 43 110.800 110.800 115.353 -4.553 18942 191 1 1 . 1 1 43 43 GLY C C 43 172.196 172.196 172.582 -0.386 18942 192 1 1 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.494 -0.204 18942 193 1 1 . 1 1 43 43 GLY H H 43 8.606 8.606 8.941 -0.335 18942 194 1 1 . 1 1 44 44 ILE N N 44 115.225 115.225 126.325 -11.100 18942 195 1 1 . 1 1 44 44 ILE C C 44 174.136 174.136 175.217 -1.081 18942 196 1 1 . 1 1 44 44 ILE CA C 44 60.846 60.846 61.069 -0.223 18942 197 1 1 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.237 2.015 18942 198 1 1 . 1 1 44 44 ILE H H 44 7.361 7.361 7.954 -0.593 18942 199 1 1 . 1 1 45 45 VAL N N 45 126.880 126.880 125.971 0.909 18942 200 1 1 . 1 1 45 45 VAL C C 45 173.113 173.113 174.285 -1.172 18942 201 1 1 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.407 -0.575 18942 202 1 1 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.023 0.712 18942 203 1 1 . 1 1 45 45 VAL H H 45 9.245 9.245 9.252 -0.007 18942 204 1 1 . 1 1 46 46 GLN N N 46 124.650 124.650 124.497 0.153 18942 205 1 1 . 1 1 46 46 GLN C C 46 173.879 173.879 174.723 -0.844 18942 206 1 1 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.506 0.253 18942 207 1 1 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.135 0.350 18942 208 1 1 . 1 1 46 46 GLN H H 46 9.333 9.333 8.537 0.796 18942 209 1 1 . 1 1 47 47 TYR N N 47 123.588 123.588 119.148 4.440 18942 210 1 1 . 1 1 47 47 TYR C C 47 172.762 172.762 174.215 -1.453 18942 211 1 1 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.479 -0.060 18942 212 1 1 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.412 2.092 18942 213 1 1 . 1 1 47 47 TYR H H 47 9.300 9.300 9.126 0.174 18942 214 1 1 . 1 1 48 48 GLY N N 48 107.867 107.867 109.306 -1.439 18942 215 1 1 . 1 1 48 48 GLY C C 48 172.936 172.936 173.545 -0.609 18942 216 1 1 . 1 1 48 48 GLY CA C 48 48.040 48.040 46.301 1.739 18942 217 1 1 . 1 1 48 48 GLY H H 48 7.894 7.894 8.267 -0.373 18942 218 1 1 . 1 1 49 49 GLU N N 49 127.160 127.160 120.345 6.815 18942 219 1 1 . 1 1 49 49 GLU C C 49 174.960 174.960 176.068 -1.108 18942 220 1 1 . 1 1 49 49 GLU CA C 49 58.254 58.254 57.871 0.383 18942 221 1 1 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.714 1.229 18942 222 1 1 . 1 1 49 49 GLU H H 49 9.355 9.355 8.600 0.755 18942 223 1 1 . 1 1 50 50 ASN N N 50 112.730 112.730 115.703 -2.973 18942 224 1 1 . 1 1 50 50 ASN C C 50 174.229 174.229 172.900 1.329 18942 225 1 1 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.689 -1.883 18942 226 1 1 . 1 1 50 50 ASN CB C 50 41.127 41.127 40.960 0.167 18942 227 1 1 . 1 1 50 50 ASN H H 50 7.494 7.494 7.834 -0.340 18942 228 1 1 . 1 1 51 51 VAL N N 51 118.965 118.965 120.530 -1.565 18942 229 1 1 . 1 1 51 51 VAL C C 51 174.904 174.904 175.536 -0.632 18942 230 1 1 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.598 1.132 18942 231 1 1 . 1 1 51 51 VAL CB C 51 34.034 34.034 32.980 1.054 18942 232 1 1 . 1 1 51 51 VAL H H 51 8.647 8.647 8.616 0.031 18942 233 1 1 . 1 1 52 52 THR N N 52 122.865 122.865 122.863 0.002 18942 234 1 1 . 1 1 52 52 THR C C 52 173.383 173.383 173.258 0.125 18942 235 1 1 . 1 1 52 52 THR CA C 52 61.809 61.809 61.005 0.804 18942 236 1 1 . 1 1 52 52 THR CB C 52 71.943 71.943 70.528 1.415 18942 237 1 1 . 1 1 52 52 THR H H 52 9.183 9.183 8.889 0.294 18942 238 1 1 . 1 1 53 53 HIS N N 53 126.441 126.441 122.798 3.643 18942 239 1 1 . 1 1 53 53 HIS C C 53 175.728 175.728 173.900 1.828 18942 240 1 1 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.424 2.738 18942 241 1 1 . 1 1 53 53 HIS CB C 53 31.084 31.084 31.211 -0.127 18942 242 1 1 . 1 1 53 53 HIS H H 53 8.995 8.995 8.565 0.430 18942 243 1 1 . 1 1 54 54 GLU N N 54 126.720 126.720 125.222 1.498 18942 244 1 1 . 1 1 54 54 GLU C C 54 178.106 178.106 175.302 2.804 18942 245 1 1 . 1 1 54 54 GLU CA C 54 57.886 57.886 56.865 1.021 18942 246 1 1 . 1 1 54 54 GLU CB C 54 28.570 28.570 31.372 -2.803 18942 247 1 1 . 1 1 54 54 GLU H H 54 8.901 8.901 8.956 -0.055 18942 248 1 1 . 1 1 55 55 PHE N N 55 106.460 106.460 116.694 -10.234 18942 249 1 1 . 1 1 55 55 PHE C C 55 174.320 174.320 174.192 0.128 18942 250 1 1 . 1 1 55 55 PHE CA C 55 57.044 57.044 56.743 0.301 18942 251 1 1 . 1 1 55 55 PHE CB C 55 40.763 40.763 42.217 -1.454 18942 252 1 1 . 1 1 55 55 PHE H H 55 7.351 7.351 8.035 -0.684 18942 253 1 1 . 1 1 56 56 ASN N N 56 119.296 119.296 118.722 0.574 18942 254 1 1 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.671 -0.592 18942 255 1 1 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.816 -0.112 18942 256 1 1 . 1 1 56 56 ASN H H 56 8.378 8.378 8.484 -0.106 18942 257 1 1 . 1 1 57 57 LEU C C 57 175.843 175.843 177.442 -1.599 18942 258 1 1 . 1 1 57 57 LEU CA C 57 58.498 58.498 58.192 0.306 18942 259 1 1 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.706 1.288 18942 260 1 1 . 1 1 58 58 ASN N N 58 108.256 108.256 113.430 -5.174 18942 261 1 1 . 1 1 58 58 ASN C C 58 177.051 177.051 174.773 2.278 18942 262 1 1 . 1 1 58 58 ASN CA C 58 50.879 50.879 52.407 -1.528 18942 263 1 1 . 1 1 58 58 ASN CB C 58 38.911 38.911 37.942 0.969 18942 264 1 1 . 1 1 58 58 ASN H H 58 7.345 7.345 7.947 -0.602 18942 265 1 1 . 1 1 59 59 LYS N N 59 121.550 121.550 119.033 2.517 18942 266 1 1 . 1 1 59 59 LYS C C 59 176.380 176.380 175.470 0.910 18942 267 1 1 . 1 1 59 59 LYS CA C 59 59.241 59.241 56.139 3.102 18942 268 1 1 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.538 0.324 18942 269 1 1 . 1 1 59 59 LYS H H 59 7.793 7.793 7.497 0.296 18942 270 1 1 . 1 1 60 60 TYR N N 60 115.388 115.388 114.254 1.134 18942 271 1 1 . 1 1 60 60 TYR C C 60 176.551 176.551 174.309 2.242 18942 272 1 1 . 1 1 60 60 TYR CA C 60 56.785 56.785 55.335 1.450 18942 273 1 1 . 1 1 60 60 TYR CB C 60 40.587 40.587 39.933 0.654 18942 274 1 1 . 1 1 60 60 TYR H H 60 8.838 8.838 7.169 1.669 18942 275 1 1 . 1 1 61 61 SER N N 61 113.454 113.454 115.265 -1.811 18942 276 1 1 . 1 1 61 61 SER C C 61 172.093 172.093 173.192 -1.099 18942 277 1 1 . 1 1 61 61 SER CA C 61 57.686 57.686 58.383 -0.697 18942 278 1 1 . 1 1 61 61 SER CB C 61 64.641 64.641 64.308 0.333 18942 279 1 1 . 1 1 61 61 SER H H 61 8.869 8.869 9.689 -0.820 18942 280 1 1 . 1 1 62 62 SER N N 62 110.923 110.923 114.693 -3.770 18942 281 1 1 . 1 1 62 62 SER C C 62 174.355 174.355 174.635 -0.280 18942 282 1 1 . 1 1 62 62 SER CA C 62 56.928 56.928 57.562 -0.634 18942 283 1 1 . 1 1 62 62 SER CB C 62 67.154 67.154 64.560 2.594 18942 284 1 1 . 1 1 62 62 SER H H 62 7.236 7.236 7.680 -0.444 18942 285 1 1 . 1 1 63 63 THR N N 63 120.405 120.405 122.236 -1.831 18942 286 1 1 . 1 1 63 63 THR C C 63 175.543 175.543 175.919 -0.376 18942 287 1 1 . 1 1 63 63 THR CA C 63 69.245 69.245 67.649 1.596 18942 288 1 1 . 1 1 63 63 THR CB C 63 67.203 67.203 68.724 -1.521 18942 289 1 1 . 1 1 63 63 THR H H 63 9.263 9.263 8.411 0.852 18942 290 1 1 . 1 1 64 64 GLU N N 64 119.002 119.002 120.944 -1.942 18942 291 1 1 . 1 1 64 64 GLU C C 64 178.754 178.754 178.708 0.046 18942 292 1 1 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.989 0.448 18942 293 1 1 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.412 0.054 18942 294 1 1 . 1 1 64 64 GLU H H 64 8.873 8.873 7.794 1.079 18942 295 1 1 . 1 1 65 65 GLU N N 65 114.467 114.467 119.033 -4.566 18942 296 1 1 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.211 -0.160 18942 297 1 1 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.590 1.748 18942 298 1 1 . 1 1 65 65 GLU H H 65 7.299 7.299 7.649 -0.350 18942 299 1 1 . 1 1 66 66 VAL N N 66 118.486 118.486 119.326 -0.840 18942 300 1 1 . 1 1 66 66 VAL C C 66 176.723 176.723 177.856 -1.133 18942 301 1 1 . 1 1 66 66 VAL CA C 66 66.018 66.018 65.864 0.154 18942 302 1 1 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.114 0.421 18942 303 1 1 . 1 1 66 66 VAL H H 66 7.361 7.361 7.603 -0.242 18942 304 1 1 . 1 1 67 67 LEU N N 67 119.314 119.314 121.773 -2.459 18942 305 1 1 . 1 1 67 67 LEU C C 67 180.087 180.087 178.287 1.800 18942 306 1 1 . 1 1 67 67 LEU CA C 67 58.000 58.000 57.975 0.025 18942 307 1 1 . 1 1 67 67 LEU CB C 67 41.941 41.941 41.569 0.372 18942 308 1 1 . 1 1 67 67 LEU H H 67 8.154 8.154 8.088 0.066 18942 309 1 1 . 1 1 68 68 VAL N N 68 117.110 117.110 118.663 -1.553 18942 310 1 1 . 1 1 68 68 VAL C C 68 179.736 179.736 177.779 1.957 18942 311 1 1 . 1 1 68 68 VAL CA C 68 66.193 66.193 66.736 -0.543 18942 312 1 1 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.401 0.795 18942 313 1 1 . 1 1 68 68 VAL H H 68 7.110 7.110 8.115 -1.005 18942 314 1 1 . 1 1 69 69 ALA N N 69 119.661 119.661 121.315 -1.654 18942 315 1 1 . 1 1 69 69 ALA C C 69 181.653 181.653 179.199 2.454 18942 316 1 1 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.880 0.200 18942 317 1 1 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.408 2.672 18942 318 1 1 . 1 1 69 69 ALA H H 69 6.970 6.970 7.934 -0.964 18942 319 1 1 . 1 1 70 70 ALA N N 70 120.071 120.071 121.222 -1.151 18942 320 1 1 . 1 1 70 70 ALA C C 70 178.758 178.758 179.023 -0.265 18942 321 1 1 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.279 -0.176 18942 322 1 1 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.606 -0.509 18942 323 1 1 . 1 1 70 70 ALA H H 70 8.881 8.881 8.087 0.794 18942 324 1 1 . 1 1 71 71 LYS N N 71 112.889 112.889 116.021 -3.132 18942 325 1 1 . 1 1 71 71 LYS C C 71 177.551 177.551 178.068 -0.517 18942 326 1 1 . 1 1 71 71 LYS CA C 71 58.190 58.190 58.020 0.170 18942 327 1 1 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.314 0.523 18942 328 1 1 . 1 1 71 71 LYS H H 71 7.124 7.124 7.643 -0.519 18942 329 1 1 . 1 1 72 72 LYS N N 72 114.633 114.633 120.943 -6.310 18942 330 1 1 . 1 1 72 72 LYS C C 72 176.789 176.789 177.185 -0.396 18942 331 1 1 . 1 1 72 72 LYS CA C 72 55.865 55.865 58.117 -2.252 18942 332 1 1 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.597 -0.190 18942 333 1 1 . 1 1 72 72 LYS H H 72 7.150 7.150 7.645 -0.495 18942 334 1 1 . 1 1 73 73 ILE N N 73 120.045 120.045 122.381 -2.336 18942 335 1 1 . 1 1 73 73 ILE C C 73 176.494 176.494 174.856 1.638 18942 336 1 1 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.641 1.388 18942 337 1 1 . 1 1 73 73 ILE CB C 73 37.347 37.347 36.737 0.610 18942 338 1 1 . 1 1 73 73 ILE H H 73 7.164 7.164 7.896 -0.732 18942 339 1 1 . 1 1 74 74 VAL N N 74 126.199 126.199 122.773 3.426 18942 340 1 1 . 1 1 74 74 VAL C C 74 174.021 174.021 174.186 -0.165 18942 341 1 1 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.762 -0.115 18942 342 1 1 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.284 0.689 18942 343 1 1 . 1 1 74 74 VAL H H 74 8.174 8.174 7.662 0.512 18942 344 1 1 . 1 1 75 75 GLN N N 75 123.009 123.009 125.044 -2.035 18942 345 1 1 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.945 0.533 18942 346 1 1 . 1 1 75 75 GLN CB C 75 27.131 27.131 28.950 -1.819 18942 347 1 1 . 1 1 75 75 GLN H H 75 7.569 7.569 6.756 0.813 18942 348 1 1 . 1 1 76 76 ARG N N 76 129.740 129.740 123.377 6.363 18942 349 1 1 . 1 1 76 76 ARG C C 76 178.628 178.628 176.097 2.531 18942 350 1 1 . 1 1 76 76 ARG CA C 76 57.917 57.917 56.088 1.829 18942 351 1 1 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.803 -1.024 18942 352 1 1 . 1 1 76 76 ARG H H 76 9.670 9.670 8.626 1.044 18942 353 1 1 . 1 1 77 77 GLY N N 77 106.443 106.443 104.793 1.650 18942 354 1 1 . 1 1 77 77 GLY C C 77 174.221 174.221 172.529 1.692 18942 355 1 1 . 1 1 77 77 GLY CA C 77 44.916 44.916 45.067 -0.151 18942 356 1 1 . 1 1 77 77 GLY H H 77 7.360 7.360 7.426 -0.066 18942 357 1 1 . 1 1 78 78 GLY N N 78 103.622 103.622 106.761 -3.139 18942 358 1 1 . 1 1 78 78 GLY C C 78 172.710 172.710 174.370 -1.660 18942 359 1 1 . 1 1 78 78 GLY CA C 78 46.986 46.986 44.876 2.110 18942 360 1 1 . 1 1 78 78 GLY H H 78 7.851 7.851 8.233 -0.382 18942 361 1 1 . 1 1 79 79 ARG N N 79 124.452 124.452 122.399 2.053 18942 362 1 1 . 1 1 79 79 ARG C C 79 174.484 174.484 176.892 -2.408 18942 363 1 1 . 1 1 79 79 ARG CA C 79 57.437 57.437 56.930 0.507 18942 364 1 1 . 1 1 79 79 ARG CB C 79 30.338 30.338 30.557 -0.219 18942 365 1 1 . 1 1 79 79 ARG H H 79 9.952 9.952 8.666 1.286 18942 366 1 1 . 1 1 80 80 GLN N N 80 113.887 113.887 115.270 -1.383 18942 367 1 1 . 1 1 80 80 GLN C C 80 173.824 173.824 173.704 0.120 18942 368 1 1 . 1 1 80 80 GLN CA C 80 55.041 55.041 55.147 -0.106 18942 369 1 1 . 1 1 80 80 GLN CB C 80 35.655 35.655 32.664 2.991 18942 370 1 1 . 1 1 80 80 GLN H H 80 7.411 7.411 7.655 -0.244 18942 371 1 1 . 1 1 81 81 THR N N 81 117.791 117.791 117.871 -0.080 18942 372 1 1 . 1 1 81 81 THR C C 81 175.393 175.393 173.728 1.665 18942 373 1 1 . 1 1 81 81 THR CA C 81 62.222 62.222 61.515 0.707 18942 374 1 1 . 1 1 81 81 THR CB C 81 71.140 71.140 70.058 1.082 18942 375 1 1 . 1 1 81 81 THR H H 81 11.198 11.198 8.448 2.750 18942 376 1 1 . 1 1 82 82 MET N N 82 128.338 128.338 127.800 0.538 18942 377 1 1 . 1 1 82 82 MET C C 82 175.011 175.011 176.518 -1.507 18942 378 1 1 . 1 1 82 82 MET CA C 82 52.078 52.078 52.845 -0.767 18942 379 1 1 . 1 1 82 82 MET CB C 82 29.146 29.146 32.236 -3.090 18942 380 1 1 . 1 1 82 82 MET H H 82 8.679 8.679 9.266 -0.587 18942 381 1 1 . 1 1 83 83 THR N N 83 120.032 120.032 118.450 1.582 18942 382 1 1 . 1 1 83 83 THR C C 83 175.014 175.014 175.903 -0.889 18942 383 1 1 . 1 1 83 83 THR CA C 83 65.627 65.627 66.204 -0.577 18942 384 1 1 . 1 1 83 83 THR CB C 83 69.254 69.254 68.693 0.561 18942 385 1 1 . 1 1 83 83 THR H H 83 6.986 6.986 8.564 -1.578 18942 386 1 1 . 1 1 84 84 ALA N N 84 126.207 126.207 123.147 3.060 18942 387 1 1 . 1 1 84 84 ALA C C 84 179.500 179.500 179.470 0.030 18942 388 1 1 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.750 1.319 18942 389 1 1 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.147 -1.417 18942 390 1 1 . 1 1 84 84 ALA H H 84 10.069 10.069 8.298 1.771 18942 391 1 1 . 1 1 85 85 LEU N N 85 119.501 119.501 118.393 1.108 18942 392 1 1 . 1 1 85 85 LEU C C 85 181.098 181.098 179.175 1.923 18942 393 1 1 . 1 1 85 85 LEU CA C 85 57.906 57.906 56.617 1.288 18942 394 1 1 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.489 0.279 18942 395 1 1 . 1 1 85 85 LEU H H 85 8.166 8.166 7.518 0.648 18942 396 1 1 . 1 1 86 86 GLY N N 86 110.546 110.546 108.771 1.775 18942 397 1 1 . 1 1 86 86 GLY C C 86 174.135 174.135 176.096 -1.961 18942 398 1 1 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.023 0.300 18942 399 1 1 . 1 1 86 86 GLY H H 86 8.720 8.720 7.649 1.071 18942 400 1 1 . 1 1 87 87 ILE N N 87 120.213 120.213 121.085 -0.872 18942 401 1 1 . 1 1 87 87 ILE C C 87 177.503 177.503 177.292 0.211 18942 402 1 1 . 1 1 87 87 ILE CA C 87 66.253 66.253 63.105 3.148 18942 403 1 1 . 1 1 87 87 ILE CB C 87 38.911 38.911 36.461 2.450 18942 404 1 1 . 1 1 87 87 ILE H H 87 8.141 8.141 7.642 0.499 18942 405 1 1 . 1 1 88 88 ASP N N 88 118.326 118.326 121.167 -2.841 18942 406 1 1 . 1 1 88 88 ASP C C 88 178.751 178.751 178.470 0.281 18942 407 1 1 . 1 1 88 88 ASP CA C 88 57.569 57.569 58.092 -0.523 18942 408 1 1 . 1 1 88 88 ASP CB C 88 43.248 43.248 41.211 2.037 18942 409 1 1 . 1 1 88 88 ASP H H 88 8.512 8.512 7.965 0.547 18942 410 1 1 . 1 1 89 89 THR N N 89 112.028 112.028 115.858 -3.830 18942 411 1 1 . 1 1 89 89 THR C C 89 176.400 176.400 175.941 0.459 18942 412 1 1 . 1 1 89 89 THR CA C 89 68.345 68.345 65.041 3.304 18942 413 1 1 . 1 1 89 89 THR CB C 89 67.082 67.082 68.929 -1.847 18942 414 1 1 . 1 1 89 89 THR H H 89 8.470 8.470 8.224 0.246 18942 415 1 1 . 1 1 90 90 ALA N N 90 124.209 124.209 123.909 0.300 18942 416 1 1 . 1 1 90 90 ALA C C 90 178.756 178.756 178.747 0.009 18942 417 1 1 . 1 1 90 90 ALA CA C 90 56.016 56.016 54.860 1.156 18942 418 1 1 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.337 0.672 18942 419 1 1 . 1 1 90 90 ALA H H 90 8.159 8.159 7.669 0.490 18942 420 1 1 . 1 1 91 91 ARG N N 91 116.481 116.481 116.650 -0.169 18942 421 1 1 . 1 1 91 91 ARG C C 91 177.990 177.990 178.220 -0.230 18942 422 1 1 . 1 1 91 91 ARG CA C 91 60.729 60.729 59.139 1.590 18942 423 1 1 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.090 -0.172 18942 424 1 1 . 1 1 91 91 ARG H H 91 8.479 8.479 7.928 0.551 18942 425 1 1 . 1 1 92 92 LYS N N 92 113.675 113.675 118.324 -4.649 18942 426 1 1 . 1 1 92 92 LYS C C 92 178.208 178.208 177.401 0.807 18942 427 1 1 . 1 1 92 92 LYS CA C 92 58.980 58.980 58.131 0.849 18942 428 1 1 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.245 0.989 18942 429 1 1 . 1 1 92 92 LYS H H 92 8.073 8.073 7.503 0.570 18942 430 1 1 . 1 1 93 93 GLU N N 93 112.950 112.950 117.918 -4.968 18942 431 1 1 . 1 1 93 93 GLU C C 93 178.160 178.160 177.438 0.722 18942 432 1 1 . 1 1 93 93 GLU CA C 93 57.300 57.300 58.329 -1.029 18942 433 1 1 . 1 1 93 93 GLU CB C 93 33.059 33.059 30.103 2.956 18942 434 1 1 . 1 1 93 93 GLU H H 93 8.678 8.678 7.951 0.727 18942 435 1 1 . 1 1 94 94 ALA N N 94 119.150 119.150 122.596 -3.446 18942 436 1 1 . 1 1 94 94 ALA C C 94 177.262 177.262 178.603 -1.341 18942 437 1 1 . 1 1 94 94 ALA CA C 94 55.111 55.111 53.670 1.441 18942 438 1 1 . 1 1 94 94 ALA CB C 94 20.213 20.213 19.249 0.964 18942 439 1 1 . 1 1 94 94 ALA H H 94 8.529 8.529 7.523 1.006 18942 440 1 1 . 1 1 95 95 PHE N N 95 111.282 111.282 118.552 -7.270 18942 441 1 1 . 1 1 95 95 PHE C C 95 175.308 175.308 174.819 0.489 18942 442 1 1 . 1 1 95 95 PHE CA C 95 56.984 56.984 55.982 1.002 18942 443 1 1 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.279 0.686 18942 444 1 1 . 1 1 95 95 PHE H H 95 6.981 6.981 8.004 -1.023 18942 445 1 1 . 1 1 96 96 THR N N 96 106.274 106.274 116.412 -10.138 18942 446 1 1 . 1 1 96 96 THR CA C 96 59.540 59.540 60.485 -0.945 18942 447 1 1 . 1 1 96 96 THR CB C 96 71.910 71.910 70.807 1.103 18942 448 1 1 . 1 1 96 96 THR H H 96 6.842 6.842 7.338 -0.496 18942 449 1 1 . 1 1 98 98 ALA C C 98 179.284 179.284 178.404 0.880 18942 450 1 1 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.094 0.926 18942 451 1 1 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.204 0.452 18942 452 1 1 . 1 1 99 99 ARG N N 99 114.439 114.439 116.499 -2.060 18942 453 1 1 . 1 1 99 99 ARG C C 99 174.052 174.052 176.282 -2.230 18942 454 1 1 . 1 1 99 99 ARG CA C 99 56.715 56.715 55.484 1.231 18942 455 1 1 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.642 -0.368 18942 456 1 1 . 1 1 99 99 ARG H H 99 7.061 7.061 7.774 -0.713 18942 457 1 1 . 1 1 100 100 GLY N N 100 101.608 101.608 106.253 -4.645 18942 458 1 1 . 1 1 100 100 GLY C C 100 174.164 174.164 173.916 0.248 18942 459 1 1 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.860 0.850 18942 460 1 1 . 1 1 100 100 GLY H H 100 7.496 7.496 8.090 -0.594 18942 461 1 1 . 1 1 101 101 ALA N N 101 123.007 123.007 123.340 -0.333 18942 462 1 1 . 1 1 101 101 ALA C C 101 177.955 177.955 177.877 0.078 18942 463 1 1 . 1 1 101 101 ALA CA C 101 53.120 53.120 52.196 0.924 18942 464 1 1 . 1 1 101 101 ALA CB C 101 18.525 18.525 20.219 -1.694 18942 465 1 1 . 1 1 101 101 ALA H H 101 7.691 7.691 7.622 0.069 18942 466 1 1 . 1 1 102 102 ARG N N 102 124.837 124.837 124.571 0.266 18942 467 1 1 . 1 1 102 102 ARG C C 102 176.459 176.459 177.398 -0.939 18942 468 1 1 . 1 1 102 102 ARG CA C 102 55.186 55.186 55.489 -0.303 18942 469 1 1 . 1 1 102 102 ARG CB C 102 32.273 32.273 30.862 1.411 18942 470 1 1 . 1 1 102 102 ARG H H 102 9.456 9.456 9.169 0.287 18942 471 1 1 . 1 1 103 103 ARG N N 103 123.729 123.729 118.335 5.394 18942 472 1 1 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.475 1.317 18942 473 1 1 . 1 1 103 103 ARG CB C 103 30.039 30.039 29.939 0.100 18942 474 1 1 . 1 1 103 103 ARG H H 103 8.520 8.520 8.574 -0.054 18942 475 1 1 . 1 1 104 104 GLY N N 104 108.061 108.061 108.740 -0.679 18942 476 1 1 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.530 1.379 18942 477 1 1 . 1 1 104 104 GLY H H 104 8.345 8.345 7.949 0.396 18942 478 1 1 . 1 1 105 105 VAL N N 105 118.807 118.807 120.278 -1.471 18942 479 1 1 . 1 1 105 105 VAL C C 105 176.102 176.102 174.541 1.561 18942 480 1 1 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.239 1.566 18942 481 1 1 . 1 1 105 105 VAL CB C 105 31.820 31.820 32.531 -0.710 18942 482 1 1 . 1 1 105 105 VAL H H 105 7.298 7.298 8.463 -1.165 18942 483 1 1 . 1 1 106 106 LYS N N 106 127.841 127.841 125.114 2.727 18942 484 1 1 . 1 1 106 106 LYS C C 106 174.143 174.143 175.027 -0.884 18942 485 1 1 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.755 0.892 18942 486 1 1 . 1 1 106 106 LYS CB C 106 33.387 33.387 30.936 2.451 18942 487 1 1 . 1 1 106 106 LYS H H 106 8.288 8.288 8.687 -0.399 18942 488 1 1 . 1 1 107 107 LYS N N 107 122.939 122.939 123.216 -0.277 18942 489 1 1 . 1 1 107 107 LYS C C 107 176.540 176.540 176.088 0.452 18942 490 1 1 . 1 1 107 107 LYS CA C 107 55.587 55.587 56.340 -0.753 18942 491 1 1 . 1 1 107 107 LYS CB C 107 35.607 35.607 32.577 3.030 18942 492 1 1 . 1 1 107 107 LYS H H 107 8.401 8.401 8.282 0.119 18942 493 1 1 . 1 1 108 108 VAL N N 108 122.376 122.376 126.042 -3.666 18942 494 1 1 . 1 1 108 108 VAL C C 108 174.507 174.507 175.158 -0.651 18942 495 1 1 . 1 1 108 108 VAL CA C 108 60.011 60.011 61.202 -1.191 18942 496 1 1 . 1 1 108 108 VAL CB C 108 36.923 36.923 33.620 3.303 18942 497 1 1 . 1 1 108 108 VAL H H 108 8.940 8.940 9.348 -0.408 18942 498 1 1 . 1 1 109 109 MET N N 109 124.377 124.377 127.747 -3.370 18942 499 1 1 . 1 1 109 109 MET C C 109 175.232 175.232 174.853 0.379 18942 500 1 1 . 1 1 109 109 MET CA C 109 54.123 54.123 54.764 -0.641 18942 501 1 1 . 1 1 109 109 MET CB C 109 39.360 39.360 35.020 4.340 18942 502 1 1 . 1 1 109 109 MET H H 109 9.599 9.599 9.469 0.130 18942 503 1 1 . 1 1 110 110 VAL N N 110 123.296 123.296 125.720 -2.424 18942 504 1 1 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.443 -0.245 18942 505 1 1 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.423 0.752 18942 506 1 1 . 1 1 110 110 VAL H H 110 8.484 8.484 9.363 -0.879 18942 507 1 1 . 1 1 111 111 ILE N N 111 128.689 128.689 127.409 1.280 18942 508 1 1 . 1 1 111 111 ILE C C 111 173.965 173.965 174.652 -0.687 18942 509 1 1 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.614 1.722 18942 510 1 1 . 1 1 111 111 ILE CB C 111 41.289 41.289 42.064 -0.775 18942 511 1 1 . 1 1 111 111 ILE H H 111 9.330 9.330 9.246 0.084 18942 512 1 1 . 1 1 112 112 VAL N N 112 127.498 127.498 124.988 2.510 18942 513 1 1 . 1 1 112 112 VAL C C 112 174.932 174.932 174.620 0.312 18942 514 1 1 . 1 1 112 112 VAL CA C 112 60.642 60.642 59.644 0.998 18942 515 1 1 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.491 -1.301 18942 516 1 1 . 1 1 112 112 VAL H H 112 8.376 8.376 8.470 -0.093 18942 517 1 1 . 1 1 113 113 THR N N 113 116.756 116.756 117.358 -0.602 18942 518 1 1 . 1 1 113 113 THR C C 113 170.881 170.881 172.798 -1.917 18942 519 1 1 . 1 1 113 113 THR CA C 113 60.693 60.693 60.695 -0.002 18942 520 1 1 . 1 1 113 113 THR CB C 113 67.772 67.772 70.454 -2.682 18942 521 1 1 . 1 1 113 113 THR H H 113 8.521 8.521 8.696 -0.175 18942 522 1 1 . 1 1 114 114 ASP N N 114 122.719 122.719 124.147 -1.428 18942 523 1 1 . 1 1 114 114 ASP C C 114 177.015 177.015 176.550 0.465 18942 524 1 1 . 1 1 114 114 ASP CA C 114 54.041 54.041 53.068 0.973 18942 525 1 1 . 1 1 114 114 ASP CB C 114 42.671 42.671 43.338 -0.667 18942 526 1 1 . 1 1 114 114 ASP H H 114 7.341 7.341 8.386 -1.045 18942 527 1 1 . 1 1 115 115 GLY N N 115 103.370 103.370 107.972 -4.602 18942 528 1 1 . 1 1 115 115 GLY C C 115 171.751 171.751 173.782 -2.031 18942 529 1 1 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.566 1.105 18942 530 1 1 . 1 1 115 115 GLY H H 115 7.312 7.312 7.690 -0.378 18942 531 1 1 . 1 1 116 116 GLU N N 116 120.631 120.631 120.404 0.227 18942 532 1 1 . 1 1 116 116 GLU C C 116 175.037 175.037 175.554 -0.517 18942 533 1 1 . 1 1 116 116 GLU CA C 116 54.252 54.252 55.066 -0.814 18942 534 1 1 . 1 1 116 116 GLU CB C 116 27.313 27.313 29.402 -2.089 18942 535 1 1 . 1 1 116 116 GLU H H 116 7.332 7.332 8.374 -1.042 18942 536 1 1 . 1 1 117 117 SER N N 117 116.730 116.730 119.460 -2.730 18942 537 1 1 . 1 1 117 117 SER C C 117 176.356 176.356 174.792 1.564 18942 538 1 1 . 1 1 117 117 SER CA C 117 57.832 57.832 59.063 -1.231 18942 539 1 1 . 1 1 117 117 SER CB C 117 66.407 66.407 62.635 3.772 18942 540 1 1 . 1 1 117 117 SER H H 117 7.964 7.964 9.067 -1.103 18942 541 1 1 . 1 1 118 118 HIS N N 118 115.543 115.543 123.641 -8.098 18942 542 1 1 . 1 1 118 118 HIS C C 118 176.602 176.602 174.891 1.711 18942 543 1 1 . 1 1 118 118 HIS CA C 118 59.291 59.291 57.837 1.454 18942 544 1 1 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.494 2.325 18942 545 1 1 . 1 1 118 118 HIS H H 118 9.274 9.274 8.237 1.037 18942 546 1 1 . 1 1 119 119 ASP N N 119 120.197 120.197 118.365 1.832 18942 547 1 1 . 1 1 119 119 ASP CA C 119 52.565 52.565 53.706 -1.141 18942 548 1 1 . 1 1 119 119 ASP CB C 119 40.309 40.309 42.193 -1.884 18942 549 1 1 . 1 1 119 119 ASP H H 119 8.160 8.160 7.825 0.335 18942 550 1 1 . 1 1 120 120 ASN CA C 120 56.154 56.154 55.094 1.060 18942 551 1 1 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.259 -0.120 18942 552 1 1 . 1 1 121 121 HIS CA C 121 58.471 58.471 59.605 -1.134 18942 553 1 1 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.629 -0.119 18942 554 1 1 . 1 1 122 122 ARG N N 122 117.636 117.636 119.347 -1.711 18942 555 1 1 . 1 1 122 122 ARG CA C 122 55.611 55.611 60.025 -4.414 18942 556 1 1 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.205 1.581 18942 557 1 1 . 1 1 122 122 ARG H H 122 7.299 7.299 8.981 -1.682 18942 558 1 1 . 1 1 123 123 LEU N N 123 119.507 119.507 117.104 2.403 18942 559 1 1 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.159 0.312 18942 560 1 1 . 1 1 123 123 LEU CB C 123 42.176 42.176 40.930 1.246 18942 561 1 1 . 1 1 123 123 LEU H H 123 7.065 7.065 7.723 -0.658 18942 562 1 1 . 1 1 124 124 LYS N N 124 116.723 116.723 119.192 -2.469 18942 563 1 1 . 1 1 124 124 LYS CA C 124 60.473 60.473 58.593 1.880 18942 564 1 1 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.486 0.389 18942 565 1 1 . 1 1 124 124 LYS H H 124 8.426 8.426 7.995 0.431 18942 566 1 1 . 1 1 125 125 LYS N N 125 119.329 119.329 121.072 -1.743 18942 567 1 1 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.893 -0.541 18942 568 1 1 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.247 -0.763 18942 569 1 1 . 1 1 125 125 LYS H H 125 7.746 7.746 7.689 0.057 18942 570 1 1 . 1 1 126 126 VAL N N 126 117.688 117.688 119.464 -1.776 18942 571 1 1 . 1 1 126 126 VAL C C 126 178.187 178.187 178.183 0.004 18942 572 1 1 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.346 -0.204 18942 573 1 1 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.700 0.276 18942 574 1 1 . 1 1 126 126 VAL H H 126 7.450 7.450 7.795 -0.345 18942 575 1 1 . 1 1 127 127 ILE N N 127 120.125 120.125 121.110 -0.985 18942 576 1 1 . 1 1 127 127 ILE C C 127 178.008 178.008 178.882 -0.874 18942 577 1 1 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.212 -0.929 18942 578 1 1 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.852 -2.483 18942 579 1 1 . 1 1 127 127 ILE H H 127 8.653 8.653 8.473 0.180 18942 580 1 1 . 1 1 128 128 GLN N N 128 121.110 121.110 119.516 1.594 18942 581 1 1 . 1 1 128 128 GLN C C 128 178.258 178.258 178.163 0.095 18942 582 1 1 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.017 -0.220 18942 583 1 1 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.071 -0.566 18942 584 1 1 . 1 1 128 128 GLN H H 128 8.009 8.009 8.486 -0.477 18942 585 1 1 . 1 1 129 129 ASP N N 129 119.024 119.024 121.580 -2.556 18942 586 1 1 . 1 1 129 129 ASP C C 129 179.705 179.705 178.030 1.675 18942 587 1 1 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.284 0.778 18942 588 1 1 . 1 1 129 129 ASP CB C 129 39.777 39.777 41.255 -1.478 18942 589 1 1 . 1 1 129 129 ASP H H 129 8.428 8.428 7.850 0.578 18942 590 1 1 . 1 1 130 130 CYS N N 130 115.536 115.536 116.836 -1.300 18942 591 1 1 . 1 1 130 130 CYS C C 130 176.824 176.824 176.948 -0.124 18942 592 1 1 . 1 1 130 130 CYS CA C 130 64.211 64.211 60.466 3.745 18942 593 1 1 . 1 1 130 130 CYS CB C 130 27.770 27.770 26.872 0.898 18942 594 1 1 . 1 1 130 130 CYS H H 130 7.608 7.608 8.296 -0.688 18942 595 1 1 . 1 1 131 131 GLU N N 131 123.098 123.098 122.150 0.948 18942 596 1 1 . 1 1 131 131 GLU C C 131 180.904 180.904 179.118 1.786 18942 597 1 1 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.391 -0.381 18942 598 1 1 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.486 -0.068 18942 599 1 1 . 1 1 131 131 GLU H H 131 8.538 8.538 8.199 0.339 18942 600 1 1 . 1 1 132 132 ASP N N 132 121.058 121.058 120.076 0.982 18942 601 1 1 . 1 1 132 132 ASP C C 132 177.666 177.666 177.549 0.117 18942 602 1 1 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.491 0.511 18942 603 1 1 . 1 1 132 132 ASP CB C 132 40.439 40.439 41.136 -0.697 18942 604 1 1 . 1 1 132 132 ASP H H 132 8.844 8.844 7.819 1.025 18942 605 1 1 . 1 1 133 133 GLU N N 133 116.312 116.312 117.255 -0.943 18942 606 1 1 . 1 1 133 133 GLU C C 133 174.841 174.841 175.006 -0.165 18942 607 1 1 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.078 0.220 18942 608 1 1 . 1 1 133 133 GLU CB C 133 30.266 30.266 29.752 0.514 18942 609 1 1 . 1 1 133 133 GLU H H 133 6.997 6.997 7.630 -0.633 18942 610 1 1 . 1 1 134 134 ASN N N 134 113.879 113.879 114.489 -0.610 18942 611 1 1 . 1 1 134 134 ASN C C 134 174.994 174.994 175.052 -0.058 18942 612 1 1 . 1 1 134 134 ASN CA C 134 54.449 54.449 53.743 0.706 18942 613 1 1 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.092 1.055 18942 614 1 1 . 1 1 134 134 ASN H H 134 8.069 8.069 7.636 0.433 18942 615 1 1 . 1 1 135 135 ILE N N 135 118.502 118.502 119.463 -0.961 18942 616 1 1 . 1 1 135 135 ILE C C 135 175.226 175.226 176.235 -1.009 18942 617 1 1 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.382 -0.096 18942 618 1 1 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.084 -0.028 18942 619 1 1 . 1 1 135 135 ILE H H 135 7.583 7.583 8.374 -0.791 18942 620 1 1 . 1 1 136 136 GLN N N 136 131.359 131.359 127.458 3.901 18942 621 1 1 . 1 1 136 136 GLN C C 136 174.743 174.743 174.939 -0.196 18942 622 1 1 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.380 0.708 18942 623 1 1 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.342 1.043 18942 624 1 1 . 1 1 136 136 GLN H H 136 7.950 7.950 8.693 -0.743 18942 625 1 1 . 1 1 137 137 ARG N N 137 124.191 124.191 123.400 0.791 18942 626 1 1 . 1 1 137 137 ARG C C 137 175.598 175.598 174.342 1.256 18942 627 1 1 . 1 1 137 137 ARG CA C 137 54.853 54.853 53.947 0.906 18942 628 1 1 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.349 -1.229 18942 629 1 1 . 1 1 137 137 ARG H H 137 9.182 9.182 8.060 1.122 18942 630 1 1 . 1 1 138 138 PHE N N 138 121.323 121.323 123.210 -1.887 18942 631 1 1 . 1 1 138 138 PHE C C 138 175.241 175.241 174.648 0.593 18942 632 1 1 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.953 -0.312 18942 633 1 1 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.793 -0.399 18942 634 1 1 . 1 1 138 138 PHE H H 138 9.214 9.214 9.531 -0.317 18942 635 1 1 . 1 1 139 139 SER N N 139 118.044 118.044 118.905 -0.861 18942 636 1 1 . 1 1 139 139 SER C C 139 171.137 171.137 173.671 -2.534 18942 637 1 1 . 1 1 139 139 SER CA C 139 55.777 55.777 57.605 -1.827 18942 638 1 1 . 1 1 139 139 SER CB C 139 66.783 66.783 64.933 1.849 18942 639 1 1 . 1 1 139 139 SER H H 139 9.601 9.601 9.536 0.065 18942 640 1 1 . 1 1 140 140 ILE N N 140 123.236 123.236 126.062 -2.826 18942 641 1 1 . 1 1 140 140 ILE C C 140 174.822 174.822 174.003 0.819 18942 642 1 1 . 1 1 140 140 ILE CA C 140 56.556 56.556 59.673 -3.117 18942 643 1 1 . 1 1 140 140 ILE CB C 140 37.629 37.629 41.110 -3.481 18942 644 1 1 . 1 1 140 140 ILE H H 140 9.066 9.066 9.207 -0.141 18942 645 1 1 . 1 1 141 141 ALA N N 141 125.375 125.375 129.269 -3.894 18942 646 1 1 . 1 1 141 141 ALA C C 141 177.131 177.131 175.541 1.590 18942 647 1 1 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.413 1.704 18942 648 1 1 . 1 1 141 141 ALA CB C 141 21.403 21.403 21.441 -0.038 18942 649 1 1 . 1 1 141 141 ALA H H 141 8.790 8.790 8.699 0.091 18942 650 1 1 . 1 1 142 142 ILE N N 142 123.744 123.744 123.197 0.547 18942 651 1 1 . 1 1 142 142 ILE C C 142 174.758 174.758 173.965 0.793 18942 652 1 1 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.953 -1.760 18942 653 1 1 . 1 1 142 142 ILE CB C 142 39.082 39.082 40.740 -1.658 18942 654 1 1 . 1 1 142 142 ILE H H 142 7.973 7.973 8.078 -0.105 18942 655 1 1 . 1 1 143 143 LEU N N 143 123.041 123.041 129.398 -6.357 18942 656 1 1 . 1 1 143 143 LEU CA C 143 54.972 54.972 54.265 0.707 18942 657 1 1 . 1 1 143 143 LEU CB C 143 43.790 43.790 42.311 1.479 18942 658 1 1 . 1 1 143 143 LEU H H 143 8.019 8.019 8.424 -0.405 18942 659 1 1 . 1 1 144 144 GLY N N 144 108.993 108.993 110.835 -1.842 18942 660 1 1 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.898 1.341 18942 661 1 1 . 1 1 144 144 GLY H H 144 8.581 8.581 8.291 0.290 18942 662 1 1 . 1 1 145 145 SER N N 145 114.953 114.953 114.605 0.348 18942 663 1 1 . 1 1 145 145 SER CA C 145 58.614 58.614 57.821 0.793 18942 664 1 1 . 1 1 145 145 SER CB C 145 63.966 63.966 63.867 0.099 18942 665 1 1 . 1 1 145 145 SER H H 145 8.589 8.589 8.037 0.552 18942 666 1 1 . 1 1 146 146 TYR N N 146 117.249 117.249 120.857 -3.608 18942 667 1 1 . 1 1 146 146 TYR CA C 146 56.684 56.684 60.760 -4.076 18942 668 1 1 . 1 1 146 146 TYR CB C 146 39.174 39.174 37.523 1.651 18942 669 1 1 . 1 1 146 146 TYR H H 146 7.476 7.476 8.067 -0.591 18942 670 1 1 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.562 0.324 18942 671 1 1 . 1 1 147 147 ASN CB C 147 38.657 38.657 38.263 0.394 18942 672 1 1 . 1 1 148 148 ARG N N 148 123.288 123.288 122.878 0.410 18942 673 1 1 . 1 1 148 148 ARG CA C 148 55.535 55.535 56.145 -0.610 18942 674 1 1 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.282 0.482 18942 675 1 1 . 1 1 148 148 ARG H H 148 8.404 8.404 8.606 -0.202 18942 676 1 1 . 1 1 149 149 GLY N N 149 107.339 107.339 107.452 -0.113 18942 677 1 1 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.336 1.593 18942 678 1 1 . 1 1 149 149 GLY H H 149 8.224 8.224 7.590 0.634 18942 679 1 1 . 1 1 150 150 ASN N N 150 119.090 119.090 119.664 -0.574 18942 680 1 1 . 1 1 150 150 ASN C C 150 175.341 175.341 176.194 -0.853 18942 681 1 1 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.654 0.733 18942 682 1 1 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.562 1.144 18942 683 1 1 . 1 1 150 150 ASN H H 150 8.309 8.309 8.535 -0.226 18942 684 1 1 . 1 1 151 151 LEU N N 151 121.177 121.177 120.799 0.378 18942 685 1 1 . 1 1 151 151 LEU C C 151 177.527 177.527 176.766 0.761 18942 686 1 1 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.937 0.800 18942 687 1 1 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.031 0.642 18942 688 1 1 . 1 1 151 151 LEU H H 151 7.929 7.929 7.862 0.067 18942 689 1 1 . 1 1 152 152 SER N N 152 115.325 115.325 113.411 1.914 18942 690 1 1 . 1 1 152 152 SER C C 152 175.354 175.354 175.638 -0.284 18942 691 1 1 . 1 1 152 152 SER CA C 152 57.739 57.739 58.983 -1.244 18942 692 1 1 . 1 1 152 152 SER CB C 152 63.247 63.247 61.332 1.915 18942 693 1 1 . 1 1 152 152 SER H H 152 8.185 8.185 7.962 0.223 18942 694 1 1 . 1 1 153 153 THR N N 153 115.287 115.287 117.012 -1.725 18942 695 1 1 . 1 1 153 153 THR C C 153 175.758 175.758 175.988 -0.230 18942 696 1 1 . 1 1 153 153 THR CA C 153 63.577 63.577 66.031 -2.454 18942 697 1 1 . 1 1 153 153 THR CB C 153 69.280 69.280 68.576 0.704 18942 698 1 1 . 1 1 153 153 THR H H 153 8.134 8.134 8.632 -0.498 18942 699 1 1 . 1 1 154 154 GLU N N 154 121.501 121.501 121.503 -0.002 18942 700 1 1 . 1 1 154 154 GLU C C 154 178.589 178.589 178.327 0.262 18942 701 1 1 . 1 1 154 154 GLU CA C 154 59.978 59.978 59.616 0.362 18942 702 1 1 . 1 1 154 154 GLU CB C 154 29.348 29.348 29.332 0.016 18942 703 1 1 . 1 1 154 154 GLU H H 154 8.342 8.342 8.565 -0.223 18942 704 1 1 . 1 1 155 155 LYS N N 155 117.473 117.473 116.998 0.475 18942 705 1 1 . 1 1 155 155 LYS C C 155 179.039 179.039 178.348 0.691 18942 706 1 1 . 1 1 155 155 LYS CA C 155 58.776 58.776 56.825 1.951 18942 707 1 1 . 1 1 155 155 LYS CB C 155 31.843 31.843 32.091 -0.248 18942 708 1 1 . 1 1 155 155 LYS H H 155 7.752 7.752 7.817 -0.065 18942 709 1 1 . 1 1 156 156 PHE N N 156 120.254 120.254 117.952 2.302 18942 710 1 1 . 1 1 156 156 PHE C C 156 178.765 178.765 177.169 1.596 18942 711 1 1 . 1 1 156 156 PHE CA C 156 57.339 57.339 61.046 -3.707 18942 712 1 1 . 1 1 156 156 PHE CB C 156 37.037 37.037 40.974 -3.937 18942 713 1 1 . 1 1 156 156 PHE H H 156 7.072 7.072 7.822 -0.750 18942 714 1 1 . 1 1 157 157 VAL N N 157 118.268 118.268 116.524 1.744 18942 715 1 1 . 1 1 157 157 VAL C C 157 177.861 177.861 176.947 0.914 18942 716 1 1 . 1 1 157 157 VAL CA C 157 67.455 67.455 64.343 3.112 18942 717 1 1 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.522 0.341 18942 718 1 1 . 1 1 157 157 VAL H H 157 8.007 8.007 8.171 -0.164 18942 719 1 1 . 1 1 158 158 GLU N N 158 117.100 117.100 120.863 -3.763 18942 720 1 1 . 1 1 158 158 GLU C C 158 179.377 179.377 177.865 1.512 18942 721 1 1 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.578 -0.087 18942 722 1 1 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.757 0.589 18942 723 1 1 . 1 1 158 158 GLU H H 158 7.875 7.875 8.155 -0.280 18942 724 1 1 . 1 1 159 159 GLU N N 159 119.959 119.959 118.657 1.302 18942 725 1 1 . 1 1 159 159 GLU C C 159 179.622 179.622 177.841 1.781 18942 726 1 1 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.480 1.871 18942 727 1 1 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.061 0.297 18942 728 1 1 . 1 1 159 159 GLU H H 159 7.746 7.746 8.212 -0.466 18942 729 1 1 . 1 1 160 160 ILE N N 160 119.530 119.530 118.774 0.756 18942 730 1 1 . 1 1 160 160 ILE C C 160 180.262 180.262 177.956 2.306 18942 731 1 1 . 1 1 160 160 ILE CA C 160 66.305 66.305 63.610 2.695 18942 732 1 1 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.637 0.682 18942 733 1 1 . 1 1 160 160 ILE H H 160 8.094 8.094 7.653 0.441 18942 734 1 1 . 1 1 161 161 LYS N N 161 121.437 121.437 120.988 0.449 18942 735 1 1 . 1 1 161 161 LYS C C 161 178.518 178.518 178.731 -0.213 18942 736 1 1 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.062 1.593 18942 737 1 1 . 1 1 161 161 LYS CB C 161 32.601 32.601 30.958 1.643 18942 738 1 1 . 1 1 161 161 LYS H H 161 8.500 8.500 7.705 0.795 18942 739 1 1 . 1 1 162 162 SER N N 162 113.380 113.380 115.304 -1.924 18942 740 1 1 . 1 1 162 162 SER C C 162 174.773 174.773 175.087 -0.314 18942 741 1 1 . 1 1 162 162 SER CA C 162 61.208 61.208 59.558 1.650 18942 742 1 1 . 1 1 162 162 SER CB C 162 62.725 62.725 62.583 0.142 18942 743 1 1 . 1 1 162 162 SER H H 162 7.653 7.653 7.724 -0.071 18942 744 1 1 . 1 1 163 163 ILE N N 163 121.115 121.115 120.683 0.432 18942 745 1 1 . 1 1 163 163 ILE C C 163 175.371 175.371 175.618 -0.247 18942 746 1 1 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.248 -0.394 18942 747 1 1 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.172 1.465 18942 748 1 1 . 1 1 163 163 ILE H H 163 7.068 7.068 7.392 -0.324 18942 749 1 1 . 1 1 164 164 ALA N N 164 120.332 120.332 120.089 0.243 18942 750 1 1 . 1 1 164 164 ALA C C 164 178.713 178.713 176.492 2.221 18942 751 1 1 . 1 1 164 164 ALA CA C 164 52.553 52.553 50.970 1.583 18942 752 1 1 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.864 -0.044 18942 753 1 1 . 1 1 164 164 ALA H H 164 6.801 6.801 7.168 -0.367 18942 754 1 1 . 1 1 165 165 SER N N 165 120.959 120.959 118.580 2.379 18942 755 1 1 . 1 1 165 165 SER C C 165 171.079 171.079 174.682 -3.603 18942 756 1 1 . 1 1 165 165 SER CA C 165 61.464 61.464 59.457 2.007 18942 757 1 1 . 1 1 165 165 SER CB C 165 61.858 61.858 63.651 -1.793 18942 758 1 1 . 1 1 165 165 SER H H 165 8.656 8.656 8.601 0.055 18942 759 1 1 . 1 1 166 166 GLU N N 166 116.428 116.428 121.195 -4.767 18942 760 1 1 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.636 -0.489 18942 761 1 1 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.518 0.539 18942 762 1 1 . 1 1 166 166 GLU H H 166 7.949 7.949 7.762 0.187 18942 763 1 1 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.600 -1.816 18942 764 1 1 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.114 2.354 18942 765 1 1 . 1 1 168 168 THR C C 168 176.433 176.433 176.366 0.067 18942 766 1 1 . 1 1 168 168 THR CA C 168 67.606 67.606 65.726 1.880 18942 767 1 1 . 1 1 168 168 THR CB C 168 69.086 69.086 68.710 0.376 18942 768 1 1 . 1 1 169 169 GLU N N 169 118.116 118.116 120.265 -2.149 18942 769 1 1 . 1 1 169 169 GLU C C 169 177.434 177.434 177.109 0.325 18942 770 1 1 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.862 0.087 18942 771 1 1 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.261 -0.690 18942 772 1 1 . 1 1 169 169 GLU H H 169 9.598 9.598 8.766 0.832 18942 773 1 1 . 1 1 170 170 LYS N N 170 114.965 114.965 113.229 1.736 18942 774 1 1 . 1 1 170 170 LYS C C 170 173.967 173.967 176.180 -2.213 18942 775 1 1 . 1 1 170 170 LYS CA C 170 56.221 56.221 55.834 0.387 18942 776 1 1 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.922 0.892 18942 777 1 1 . 1 1 170 170 LYS H H 170 7.300 7.300 7.495 -0.195 18942 778 1 1 . 1 1 171 171 HIS N N 171 112.017 112.017 115.523 -3.506 18942 779 1 1 . 1 1 171 171 HIS C C 171 171.860 171.860 172.980 -1.120 18942 780 1 1 . 1 1 171 171 HIS CA C 171 57.840 57.840 57.294 0.546 18942 781 1 1 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.483 0.212 18942 782 1 1 . 1 1 171 171 HIS H H 171 7.198 7.198 7.686 -0.488 18942 783 1 1 . 1 1 172 172 PHE N N 172 121.188 121.188 121.628 -0.440 18942 784 1 1 . 1 1 172 172 PHE C C 172 172.383 172.383 173.077 -0.694 18942 785 1 1 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.352 -1.142 18942 786 1 1 . 1 1 172 172 PHE CB C 172 41.412 41.412 40.617 0.795 18942 787 1 1 . 1 1 172 172 PHE H H 172 7.342 7.342 7.988 -0.646 18942 788 1 1 . 1 1 173 173 PHE N N 173 120.855 120.855 123.814 -2.959 18942 789 1 1 . 1 1 173 173 PHE C C 173 173.751 173.751 173.539 0.212 18942 790 1 1 . 1 1 173 173 PHE CA C 173 55.895 55.895 55.655 0.240 18942 791 1 1 . 1 1 173 173 PHE CB C 173 45.217 45.217 42.498 2.719 18942 792 1 1 . 1 1 173 173 PHE H H 173 8.012 8.012 8.558 -0.546 18942 793 1 1 . 1 1 174 174 ASN N N 174 118.624 118.624 117.951 0.673 18942 794 1 1 . 1 1 174 174 ASN C C 174 176.826 176.826 176.688 0.138 18942 795 1 1 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.265 1.033 18942 796 1 1 . 1 1 174 174 ASN CB C 174 40.549 40.549 42.204 -1.655 18942 797 1 1 . 1 1 174 174 ASN H H 174 8.760 8.760 8.515 0.245 18942 798 1 1 . 1 1 175 175 VAL N N 175 122.779 122.779 121.397 1.382 18942 799 1 1 . 1 1 175 175 VAL C C 175 174.743 174.743 175.766 -1.023 18942 800 1 1 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.036 -0.494 18942 801 1 1 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.404 0.678 18942 802 1 1 . 1 1 175 175 VAL H H 175 8.349 8.349 8.098 0.251 18942 803 1 1 . 1 1 176 176 SER N N 176 111.983 111.983 110.518 1.465 18942 804 1 1 . 1 1 176 176 SER C C 176 174.583 174.583 173.493 1.090 18942 805 1 1 . 1 1 176 176 SER CA C 176 57.972 57.972 58.745 -0.773 18942 806 1 1 . 1 1 176 176 SER CB C 176 63.722 63.722 63.037 0.685 18942 807 1 1 . 1 1 176 176 SER H H 176 7.933 7.933 7.855 0.078 18942 808 1 1 . 1 1 177 177 ASP N N 177 122.321 122.321 121.734 0.587 18942 809 1 1 . 1 1 177 177 ASP C C 177 178.008 178.008 175.741 2.267 18942 810 1 1 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.212 1.103 18942 811 1 1 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.669 -0.982 18942 812 1 1 . 1 1 177 177 ASP H H 177 7.696 7.696 7.359 0.337 18942 813 1 1 . 1 1 178 178 GLU N N 178 128.610 128.610 126.216 2.394 18942 814 1 1 . 1 1 178 178 GLU C C 178 177.787 177.787 177.706 0.081 18942 815 1 1 . 1 1 178 178 GLU CA C 178 59.124 59.124 58.380 0.744 18942 816 1 1 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.527 0.197 18942 817 1 1 . 1 1 178 178 GLU H H 178 9.211 9.211 8.926 0.285 18942 818 1 1 . 1 1 179 179 LEU N N 179 117.532 117.532 121.055 -3.523 18942 819 1 1 . 1 1 179 179 LEU C C 179 178.646 178.646 178.866 -0.220 18942 820 1 1 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.605 -1.530 18942 821 1 1 . 1 1 179 179 LEU CB C 179 41.784 41.784 40.904 0.880 18942 822 1 1 . 1 1 179 179 LEU H H 179 8.683 8.683 7.917 0.766 18942 823 1 1 . 1 1 180 180 ALA N N 180 123.387 123.387 122.849 0.538 18942 824 1 1 . 1 1 180 180 ALA C C 180 178.175 178.175 179.080 -0.905 18942 825 1 1 . 1 1 180 180 ALA CA C 180 55.957 55.957 55.145 0.812 18942 826 1 1 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.978 1.343 18942 827 1 1 . 1 1 180 180 ALA H H 180 7.627 7.627 8.287 -0.660 18942 828 1 1 . 1 1 181 181 LEU N N 181 114.375 114.375 118.473 -4.098 18942 829 1 1 . 1 1 181 181 LEU C C 181 178.681 178.681 178.724 -0.043 18942 830 1 1 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.188 0.944 18942 831 1 1 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.471 -0.333 18942 832 1 1 . 1 1 181 181 LEU H H 181 7.638 7.638 7.221 0.417 18942 833 1 1 . 1 1 182 182 VAL N N 182 113.683 113.683 119.004 -5.321 18942 834 1 1 . 1 1 182 182 VAL C C 182 178.401 178.401 177.813 0.588 18942 835 1 1 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.836 -1.661 18942 836 1 1 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.302 0.673 18942 837 1 1 . 1 1 182 182 VAL H H 182 7.448 7.448 7.317 0.131 18942 838 1 1 . 1 1 183 183 THR N N 183 116.081 116.081 117.243 -1.162 18942 839 1 1 . 1 1 183 183 THR C C 183 176.701 176.701 176.333 0.368 18942 840 1 1 . 1 1 183 183 THR CA C 183 66.999 66.999 67.244 -0.245 18942 841 1 1 . 1 1 183 183 THR CB C 183 67.885 67.885 68.602 -0.717 18942 842 1 1 . 1 1 183 183 THR H H 183 7.527 7.527 7.949 -0.422 18942 843 1 1 . 1 1 184 184 ILE N N 184 124.157 124.157 122.132 2.025 18942 844 1 1 . 1 1 184 184 ILE C C 184 177.072 177.072 177.668 -0.596 18942 845 1 1 . 1 1 184 184 ILE CA C 184 66.514 66.514 65.555 0.959 18942 846 1 1 . 1 1 184 184 ILE CB C 184 38.229 38.229 37.029 1.200 18942 847 1 1 . 1 1 184 184 ILE H H 184 8.406 8.406 7.398 1.008 18942 848 1 1 . 1 1 185 185 VAL N N 185 115.165 115.165 119.222 -4.057 18942 849 1 1 . 1 1 185 185 VAL C C 185 178.544 178.544 178.069 0.475 18942 850 1 1 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.621 0.381 18942 851 1 1 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.362 -0.356 18942 852 1 1 . 1 1 185 185 VAL H H 185 7.429 7.429 7.558 -0.129 18942 853 1 1 . 1 1 186 186 LYS N N 186 119.326 119.326 118.179 1.147 18942 854 1 1 . 1 1 186 186 LYS C C 186 179.109 179.109 179.083 0.026 18942 855 1 1 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.350 0.146 18942 856 1 1 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.016 0.850 18942 857 1 1 . 1 1 186 186 LYS H H 186 7.659 7.659 8.204 -0.545 18942 858 1 1 . 1 1 187 187 THR N N 187 116.582 116.582 115.469 1.113 18942 859 1 1 . 1 1 187 187 THR C C 187 177.056 177.056 176.575 0.481 18942 860 1 1 . 1 1 187 187 THR CA C 187 66.358 66.358 64.817 1.541 18942 861 1 1 . 1 1 187 187 THR CB C 187 69.105 69.105 69.176 -0.071 18942 862 1 1 . 1 1 187 187 THR H H 187 8.377 8.377 7.600 0.777 18942 863 1 1 . 1 1 188 188 LEU N N 188 121.469 121.469 123.195 -1.726 18942 864 1 1 . 1 1 188 188 LEU C C 188 178.177 178.177 178.510 -0.333 18942 865 1 1 . 1 1 188 188 LEU CA C 188 57.524 57.524 57.047 0.477 18942 866 1 1 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.427 0.889 18942 867 1 1 . 1 1 188 188 LEU H H 188 8.262 8.262 8.498 -0.236 18942 868 1 1 . 1 1 189 189 GLY N N 189 104.655 104.655 106.822 -2.167 18942 869 1 1 . 1 1 189 189 GLY C C 189 174.400 174.400 175.109 -0.709 18942 870 1 1 . 1 1 189 189 GLY CA C 189 45.967 45.967 46.089 -0.122 18942 871 1 1 . 1 1 189 189 GLY H H 189 7.898 7.898 8.019 -0.121 18942 872 1 1 . 1 1 190 190 GLU N N 190 119.430 119.430 119.880 -0.450 18942 873 1 1 . 1 1 190 190 GLU C C 190 176.344 176.344 177.285 -0.941 18942 874 1 1 . 1 1 190 190 GLU CA C 190 56.871 56.871 55.578 1.293 18942 875 1 1 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.319 0.334 18942 876 1 1 . 1 1 190 190 GLU H H 190 7.630 7.630 7.569 0.061 18942 877 1 1 . 1 1 191 191 ARG N N 191 121.191 121.191 117.560 3.631 18942 878 1 1 . 1 1 191 191 ARG C C 191 175.205 175.205 175.634 -0.429 18942 879 1 1 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.573 -1.512 18942 880 1 1 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.344 0.512 18942 881 1 1 . 1 1 191 191 ARG H H 191 8.126 8.126 8.733 -0.607 18942 882 1 2 . 1 1 2 2 THR N N 2 115.468 115.468 120.510 -5.042 18942 883 1 2 . 1 1 2 2 THR C C 2 174.211 174.211 173.969 0.242 18942 884 1 2 . 1 1 2 2 THR CA C 2 61.939 61.939 62.092 -0.153 18942 885 1 2 . 1 1 2 2 THR CB C 2 70.018 70.018 68.582 1.436 18942 886 1 2 . 1 1 2 2 THR H H 2 8.002 8.002 8.812 -0.810 18942 887 1 2 . 1 1 3 3 GLN N N 3 122.804 122.804 126.115 -3.311 18942 888 1 2 . 1 1 3 3 GLN C C 3 174.443 174.443 174.436 0.007 18942 889 1 2 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.596 0.964 18942 890 1 2 . 1 1 3 3 GLN CB C 3 30.049 30.049 29.163 0.886 18942 891 1 2 . 1 1 3 3 GLN H H 3 8.225 8.225 8.115 0.110 18942 892 1 2 . 1 1 4 4 LEU N N 4 120.941 120.941 120.907 0.034 18942 893 1 2 . 1 1 4 4 LEU C C 4 174.867 174.867 174.544 0.323 18942 894 1 2 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.603 -0.103 18942 895 1 2 . 1 1 4 4 LEU CB C 4 47.427 47.427 44.692 2.735 18942 896 1 2 . 1 1 4 4 LEU H H 4 6.832 6.832 7.880 -1.048 18942 897 1 2 . 1 1 5 5 ASP N N 5 125.936 125.936 122.520 3.416 18942 898 1 2 . 1 1 5 5 ASP C C 5 173.417 173.417 175.105 -1.688 18942 899 1 2 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.554 0.053 18942 900 1 2 . 1 1 5 5 ASP CB C 5 42.393 42.393 42.871 -0.478 18942 901 1 2 . 1 1 5 5 ASP H H 5 8.760 8.760 8.467 0.293 18942 902 1 2 . 1 1 6 6 ILE N N 6 122.489 122.489 124.873 -2.384 18942 903 1 2 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.908 0.210 18942 904 1 2 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.022 -1.228 18942 905 1 2 . 1 1 6 6 ILE H H 6 8.897 8.897 9.143 -0.246 18942 906 1 2 . 1 1 7 7 VAL N N 7 124.979 124.979 126.757 -1.778 18942 907 1 2 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.455 0.611 18942 908 1 2 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.186 -1.024 18942 909 1 2 . 1 1 7 7 VAL H H 7 9.009 9.009 9.004 0.005 18942 910 1 2 . 1 1 8 8 ILE N N 8 127.861 127.861 128.524 -0.663 18942 911 1 2 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.238 1.603 18942 912 1 2 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.160 -0.144 18942 913 1 2 . 1 1 8 8 ILE H H 8 8.758 8.758 9.232 -0.474 18942 914 1 2 . 1 1 9 9 VAL N N 9 129.205 129.205 128.037 1.168 18942 915 1 2 . 1 1 9 9 VAL C C 9 173.949 173.949 175.119 -1.170 18942 916 1 2 . 1 1 9 9 VAL CA C 9 61.475 61.475 61.043 0.432 18942 917 1 2 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.443 -0.047 18942 918 1 2 . 1 1 9 9 VAL H H 9 9.713 9.713 9.359 0.354 18942 919 1 2 . 1 1 10 10 LEU N N 10 123.753 123.753 128.174 -4.421 18942 920 1 2 . 1 1 10 10 LEU C C 10 174.175 174.175 175.816 -1.641 18942 921 1 2 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.681 1.046 18942 922 1 2 . 1 1 10 10 LEU CB C 10 44.609 44.609 43.145 1.464 18942 923 1 2 . 1 1 10 10 LEU H H 10 9.261 9.261 9.237 0.024 18942 924 1 2 . 1 1 11 11 ASP N N 11 125.333 125.333 121.142 4.191 18942 925 1 2 . 1 1 11 11 ASP C C 11 174.405 174.405 176.887 -2.482 18942 926 1 2 . 1 1 11 11 ASP CA C 11 53.553 53.553 53.351 0.202 18942 927 1 2 . 1 1 11 11 ASP CB C 11 41.590 41.590 42.280 -0.690 18942 928 1 2 . 1 1 11 11 ASP H H 11 7.867 7.867 8.444 -0.577 18942 929 1 2 . 1 1 12 12 GLY N N 12 113.584 113.584 113.332 0.252 18942 930 1 2 . 1 1 12 12 GLY C C 12 176.010 176.010 174.202 1.808 18942 931 1 2 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.444 0.270 18942 932 1 2 . 1 1 12 12 GLY H H 12 8.825 8.825 8.100 0.725 18942 933 1 2 . 1 1 13 13 SER N N 13 114.408 114.408 116.614 -2.206 18942 934 1 2 . 1 1 13 13 SER C C 13 173.728 173.728 174.502 -0.774 18942 935 1 2 . 1 1 13 13 SER CA C 13 58.607 58.607 58.875 -0.268 18942 936 1 2 . 1 1 13 13 SER CB C 13 64.366 64.366 64.518 -0.152 18942 937 1 2 . 1 1 13 13 SER H H 13 8.668 8.668 8.511 0.157 18942 938 1 2 . 1 1 14 14 ASN N N 14 117.122 117.122 119.857 -2.735 18942 939 1 2 . 1 1 14 14 ASN C C 14 175.323 175.323 175.265 0.058 18942 940 1 2 . 1 1 14 14 ASN CA C 14 55.132 55.132 54.427 0.705 18942 941 1 2 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.829 -1.094 18942 942 1 2 . 1 1 14 14 ASN H H 14 8.800 8.800 9.042 -0.242 18942 943 1 2 . 1 1 15 15 SER N N 15 109.840 109.840 114.260 -4.420 18942 944 1 2 . 1 1 15 15 SER C C 15 175.252 175.252 174.494 0.758 18942 945 1 2 . 1 1 15 15 SER CA C 15 60.352 60.352 58.156 2.196 18942 946 1 2 . 1 1 15 15 SER CB C 15 62.281 62.281 64.170 -1.889 18942 947 1 2 . 1 1 15 15 SER H H 15 8.949 8.949 8.131 0.818 18942 948 1 2 . 1 1 16 16 ILE N N 16 125.955 125.955 120.491 5.464 18942 949 1 2 . 1 1 16 16 ILE C C 16 175.772 175.772 174.676 1.096 18942 950 1 2 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.399 -0.980 18942 951 1 2 . 1 1 16 16 ILE CB C 16 34.858 34.858 39.915 -5.057 18942 952 1 2 . 1 1 16 16 ILE H H 16 7.463 7.463 7.324 0.139 18942 953 1 2 . 1 1 17 17 TYR N N 17 125.148 125.148 121.224 3.924 18942 954 1 2 . 1 1 17 17 TYR CA C 17 55.534 55.534 56.388 -0.854 18942 955 1 2 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.843 4.790 18942 956 1 2 . 1 1 17 17 TYR H H 17 8.097 8.097 8.373 -0.276 18942 957 1 2 . 1 1 18 18 PRO C C 18 177.356 177.356 177.477 -0.121 18942 958 1 2 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.109 -0.404 18942 959 1 2 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.461 0.509 18942 960 1 2 . 1 1 19 19 TRP N N 19 125.777 125.777 123.778 1.999 18942 961 1 2 . 1 1 19 19 TRP C C 19 177.067 177.067 176.979 0.088 18942 962 1 2 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.373 0.273 18942 963 1 2 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.911 -0.221 18942 964 1 2 . 1 1 19 19 TRP H H 19 9.064 9.064 8.988 0.076 18942 965 1 2 . 1 1 20 20 ASP N N 20 112.639 112.639 119.025 -6.386 18942 966 1 2 . 1 1 20 20 ASP C C 20 178.681 178.681 178.684 -0.003 18942 967 1 2 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.529 -1.315 18942 968 1 2 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.400 -0.016 18942 969 1 2 . 1 1 20 20 ASP H H 20 8.476 8.476 8.739 -0.263 18942 970 1 2 . 1 1 21 21 SER N N 21 113.464 113.464 115.822 -2.358 18942 971 1 2 . 1 1 21 21 SER C C 21 176.264 176.264 176.597 -0.333 18942 972 1 2 . 1 1 21 21 SER CA C 21 61.853 61.853 61.921 -0.068 18942 973 1 2 . 1 1 21 21 SER CB C 21 63.207 63.207 63.124 0.083 18942 974 1 2 . 1 1 21 21 SER H H 21 7.436 7.436 7.812 -0.376 18942 975 1 2 . 1 1 22 22 VAL N N 22 123.136 123.136 122.036 1.100 18942 976 1 2 . 1 1 22 22 VAL C C 22 177.581 177.581 176.903 0.678 18942 977 1 2 . 1 1 22 22 VAL CA C 22 66.778 66.778 64.872 1.906 18942 978 1 2 . 1 1 22 22 VAL CB C 22 30.884 30.884 31.350 -0.466 18942 979 1 2 . 1 1 22 22 VAL H H 22 7.130 7.130 7.269 -0.139 18942 980 1 2 . 1 1 23 23 THR N N 23 110.025 110.025 114.628 -4.603 18942 981 1 2 . 1 1 23 23 THR C C 23 177.587 177.587 176.360 1.227 18942 982 1 2 . 1 1 23 23 THR CA C 23 66.080 66.080 66.230 -0.150 18942 983 1 2 . 1 1 23 23 THR CB C 23 68.089 68.089 68.408 -0.319 18942 984 1 2 . 1 1 23 23 THR H H 23 7.637 7.637 8.180 -0.543 18942 985 1 2 . 1 1 24 24 ALA N N 24 123.457 123.457 124.392 -0.935 18942 986 1 2 . 1 1 24 24 ALA C C 24 178.927 178.927 178.905 0.022 18942 987 1 2 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.961 0.504 18942 988 1 2 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.293 0.198 18942 989 1 2 . 1 1 24 24 ALA H H 24 7.768 7.768 7.763 0.005 18942 990 1 2 . 1 1 25 25 PHE N N 25 118.072 118.072 120.286 -2.214 18942 991 1 2 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.190 0.127 18942 992 1 2 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.280 -0.342 18942 993 1 2 . 1 1 25 25 PHE H H 25 7.064 7.064 7.807 -0.743 18942 994 1 2 . 1 1 26 26 LEU N N 26 115.251 115.251 119.073 -3.822 18942 995 1 2 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.452 0.251 18942 996 1 2 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.454 1.851 18942 997 1 2 . 1 1 26 26 LEU H H 26 8.016 8.016 8.572 -0.556 18942 998 1 2 . 1 1 27 27 ASN N N 27 114.759 114.759 119.637 -4.878 18942 999 1 2 . 1 1 27 27 ASN CA C 27 57.523 57.523 57.050 0.473 18942 1000 1 2 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.293 2.416 18942 1001 1 2 . 1 1 27 27 ASN H H 27 7.842 7.842 8.602 -0.760 18942 1002 1 2 . 1 1 28 28 ASP N N 28 116.899 116.899 119.753 -2.854 18942 1003 1 2 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.643 -1.034 18942 1004 1 2 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.670 -0.232 18942 1005 1 2 . 1 1 28 28 ASP H H 28 7.802 7.802 8.085 -0.283 18942 1006 1 2 . 1 1 29 29 LEU N N 29 118.230 118.230 121.719 -3.489 18942 1007 1 2 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.759 0.065 18942 1008 1 2 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.757 0.256 18942 1009 1 2 . 1 1 29 29 LEU H H 29 7.970 7.970 7.433 0.537 18942 1010 1 2 . 1 1 30 30 LEU N N 30 114.781 114.781 118.634 -3.853 18942 1011 1 2 . 1 1 30 30 LEU C C 30 178.917 178.917 179.159 -0.242 18942 1012 1 2 . 1 1 30 30 LEU CA C 30 57.693 57.693 56.867 0.826 18942 1013 1 2 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.753 0.791 18942 1014 1 2 . 1 1 30 30 LEU H H 30 8.000 8.000 8.489 -0.489 18942 1015 1 2 . 1 1 31 31 GLU N N 31 113.705 113.705 116.214 -2.509 18942 1016 1 2 . 1 1 31 31 GLU C C 31 177.554 177.554 177.935 -0.381 18942 1017 1 2 . 1 1 31 31 GLU CA C 31 58.445 58.445 57.793 0.652 18942 1018 1 2 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.638 -0.214 18942 1019 1 2 . 1 1 31 31 GLU H H 31 7.880 7.880 8.127 -0.247 18942 1020 1 2 . 1 1 32 32 ARG N N 32 114.470 114.470 117.393 -2.923 18942 1021 1 2 . 1 1 32 32 ARG C C 32 175.851 175.851 176.902 -1.051 18942 1022 1 2 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.973 -1.424 18942 1023 1 2 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.947 -0.361 18942 1024 1 2 . 1 1 32 32 ARG H H 32 7.014 7.014 7.346 -0.332 18942 1025 1 2 . 1 1 33 33 MET N N 33 116.853 116.853 118.835 -1.982 18942 1026 1 2 . 1 1 33 33 MET C C 33 174.809 174.809 175.085 -0.276 18942 1027 1 2 . 1 1 33 33 MET CA C 33 54.694 54.694 55.816 -1.122 18942 1028 1 2 . 1 1 33 33 MET CB C 33 35.436 35.436 33.530 1.906 18942 1029 1 2 . 1 1 33 33 MET H H 33 7.528 7.528 7.381 0.147 18942 1030 1 2 . 1 1 34 34 ASP N N 34 123.345 123.345 124.172 -0.827 18942 1031 1 2 . 1 1 34 34 ASP C C 34 173.878 173.878 175.169 -1.291 18942 1032 1 2 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.071 -0.899 18942 1033 1 2 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.676 0.215 18942 1034 1 2 . 1 1 34 34 ASP H H 34 8.784 8.784 8.659 0.125 18942 1035 1 2 . 1 1 35 35 ILE N N 35 123.293 123.293 126.060 -2.767 18942 1036 1 2 . 1 1 35 35 ILE C C 35 176.589 176.589 176.145 0.444 18942 1037 1 2 . 1 1 35 35 ILE CA C 35 58.830 58.830 58.935 -0.105 18942 1038 1 2 . 1 1 35 35 ILE CB C 35 38.073 38.073 35.696 2.377 18942 1039 1 2 . 1 1 35 35 ILE H H 35 7.188 7.188 7.661 -0.473 18942 1040 1 2 . 1 1 36 36 GLY N N 36 112.822 112.822 114.104 -1.282 18942 1041 1 2 . 1 1 36 36 GLY CA C 36 45.744 45.744 44.775 0.969 18942 1042 1 2 . 1 1 36 36 GLY H H 36 8.748 8.748 7.986 0.762 18942 1043 1 2 . 1 1 37 37 PRO C C 37 178.427 178.427 176.702 1.725 18942 1044 1 2 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.539 0.310 18942 1045 1 2 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.504 -0.302 18942 1046 1 2 . 1 1 38 38 LYS N N 38 116.281 116.281 118.545 -2.264 18942 1047 1 2 . 1 1 38 38 LYS C C 38 176.306 176.306 174.552 1.754 18942 1048 1 2 . 1 1 38 38 LYS CA C 38 54.664 54.664 56.647 -1.983 18942 1049 1 2 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.434 0.211 18942 1050 1 2 . 1 1 38 38 LYS H H 38 8.262 8.262 7.938 0.324 18942 1051 1 2 . 1 1 39 39 GLN N N 39 121.587 121.587 118.718 2.869 18942 1052 1 2 . 1 1 39 39 GLN C C 39 176.105 176.105 174.830 1.275 18942 1053 1 2 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.688 0.760 18942 1054 1 2 . 1 1 39 39 GLN CB C 39 29.540 29.540 31.879 -2.339 18942 1055 1 2 . 1 1 39 39 GLN H H 39 7.680 7.680 7.884 -0.204 18942 1056 1 2 . 1 1 40 40 THR N N 40 124.944 124.944 114.765 10.179 18942 1057 1 2 . 1 1 40 40 THR C C 40 172.592 172.592 173.472 -0.880 18942 1058 1 2 . 1 1 40 40 THR CA C 40 63.650 63.650 63.003 0.647 18942 1059 1 2 . 1 1 40 40 THR CB C 40 69.597 69.597 66.548 3.049 18942 1060 1 2 . 1 1 40 40 THR H H 40 8.525 8.525 8.654 -0.129 18942 1061 1 2 . 1 1 41 41 GLN N N 41 122.782 122.782 122.252 0.530 18942 1062 1 2 . 1 1 41 41 GLN C C 41 174.312 174.312 174.280 0.032 18942 1063 1 2 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.446 -0.297 18942 1064 1 2 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.961 3.965 18942 1065 1 2 . 1 1 41 41 GLN H H 41 8.821 8.821 8.280 0.541 18942 1066 1 2 . 1 1 42 42 VAL N N 42 118.560 118.560 124.634 -6.074 18942 1067 1 2 . 1 1 42 42 VAL C C 42 173.505 173.505 175.517 -2.012 18942 1068 1 2 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.160 -0.155 18942 1069 1 2 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.145 2.690 18942 1070 1 2 . 1 1 42 42 VAL H H 42 8.135 8.135 8.141 -0.006 18942 1071 1 2 . 1 1 43 43 GLY N N 43 110.800 110.800 114.566 -3.766 18942 1072 1 2 . 1 1 43 43 GLY C C 43 172.196 172.196 172.393 -0.197 18942 1073 1 2 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.219 0.071 18942 1074 1 2 . 1 1 43 43 GLY H H 43 8.606 8.606 8.704 -0.098 18942 1075 1 2 . 1 1 44 44 ILE N N 44 115.225 115.225 124.410 -9.185 18942 1076 1 2 . 1 1 44 44 ILE C C 44 174.136 174.136 175.079 -0.943 18942 1077 1 2 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.839 0.007 18942 1078 1 2 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.553 1.699 18942 1079 1 2 . 1 1 44 44 ILE H H 44 7.361 7.361 7.861 -0.500 18942 1080 1 2 . 1 1 45 45 VAL N N 45 126.880 126.880 126.093 0.787 18942 1081 1 2 . 1 1 45 45 VAL C C 45 173.113 173.113 174.156 -1.043 18942 1082 1 2 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.141 -0.308 18942 1083 1 2 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.863 -0.128 18942 1084 1 2 . 1 1 45 45 VAL H H 45 9.245 9.245 9.291 -0.046 18942 1085 1 2 . 1 1 46 46 GLN N N 46 124.650 124.650 125.862 -1.212 18942 1086 1 2 . 1 1 46 46 GLN C C 46 173.879 173.879 174.349 -0.470 18942 1087 1 2 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.396 0.363 18942 1088 1 2 . 1 1 46 46 GLN CB C 46 32.485 32.485 33.164 -0.679 18942 1089 1 2 . 1 1 46 46 GLN H H 46 9.333 9.333 9.202 0.131 18942 1090 1 2 . 1 1 47 47 TYR N N 47 123.588 123.588 123.357 0.231 18942 1091 1 2 . 1 1 47 47 TYR C C 47 172.762 172.762 173.935 -1.173 18942 1092 1 2 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.370 0.049 18942 1093 1 2 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.008 2.496 18942 1094 1 2 . 1 1 47 47 TYR H H 47 9.300 9.300 9.037 0.263 18942 1095 1 2 . 1 1 48 48 GLY N N 48 107.867 107.867 110.560 -2.693 18942 1096 1 2 . 1 1 48 48 GLY C C 48 172.936 172.936 173.752 -0.816 18942 1097 1 2 . 1 1 48 48 GLY CA C 48 48.040 48.040 45.898 2.142 18942 1098 1 2 . 1 1 48 48 GLY H H 48 7.894 7.894 8.261 -0.367 18942 1099 1 2 . 1 1 49 49 GLU N N 49 127.160 127.160 120.234 6.926 18942 1100 1 2 . 1 1 49 49 GLU C C 49 174.960 174.960 175.976 -1.016 18942 1101 1 2 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.060 0.194 18942 1102 1 2 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.869 1.074 18942 1103 1 2 . 1 1 49 49 GLU H H 49 9.355 9.355 8.603 0.752 18942 1104 1 2 . 1 1 50 50 ASN N N 50 112.730 112.730 114.877 -2.147 18942 1105 1 2 . 1 1 50 50 ASN C C 50 174.229 174.229 173.006 1.223 18942 1106 1 2 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.183 -1.377 18942 1107 1 2 . 1 1 50 50 ASN CB C 50 41.127 41.127 42.299 -1.172 18942 1108 1 2 . 1 1 50 50 ASN H H 50 7.494 7.494 7.507 -0.013 18942 1109 1 2 . 1 1 51 51 VAL N N 51 118.965 118.965 120.384 -1.419 18942 1110 1 2 . 1 1 51 51 VAL C C 51 174.904 174.904 175.247 -0.343 18942 1111 1 2 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.548 1.182 18942 1112 1 2 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.476 0.558 18942 1113 1 2 . 1 1 51 51 VAL H H 51 8.647 8.647 8.494 0.153 18942 1114 1 2 . 1 1 52 52 THR N N 52 122.865 122.865 123.920 -1.055 18942 1115 1 2 . 1 1 52 52 THR C C 52 173.383 173.383 173.248 0.135 18942 1116 1 2 . 1 1 52 52 THR CA C 52 61.809 61.809 61.300 0.509 18942 1117 1 2 . 1 1 52 52 THR CB C 52 71.943 71.943 70.438 1.505 18942 1118 1 2 . 1 1 52 52 THR H H 52 9.183 9.183 9.125 0.058 18942 1119 1 2 . 1 1 53 53 HIS N N 53 126.441 126.441 123.993 2.448 18942 1120 1 2 . 1 1 53 53 HIS C C 53 175.728 175.728 174.608 1.120 18942 1121 1 2 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.146 3.016 18942 1122 1 2 . 1 1 53 53 HIS CB C 53 31.084 31.084 29.952 1.132 18942 1123 1 2 . 1 1 53 53 HIS H H 53 8.995 8.995 8.608 0.387 18942 1124 1 2 . 1 1 54 54 GLU N N 54 126.720 126.720 122.946 3.774 18942 1125 1 2 . 1 1 54 54 GLU C C 54 178.106 178.106 176.300 1.806 18942 1126 1 2 . 1 1 54 54 GLU CA C 54 57.886 57.886 57.629 0.257 18942 1127 1 2 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.850 -2.280 18942 1128 1 2 . 1 1 54 54 GLU H H 54 8.901 8.901 8.903 -0.002 18942 1129 1 2 . 1 1 55 55 PHE N N 55 106.460 106.460 119.014 -12.554 18942 1130 1 2 . 1 1 55 55 PHE C C 55 174.320 174.320 174.068 0.252 18942 1131 1 2 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.475 -0.431 18942 1132 1 2 . 1 1 55 55 PHE CB C 55 40.763 40.763 41.295 -0.532 18942 1133 1 2 . 1 1 55 55 PHE H H 55 7.351 7.351 7.567 -0.216 18942 1134 1 2 . 1 1 56 56 ASN N N 56 119.296 119.296 122.395 -3.099 18942 1135 1 2 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.294 -0.215 18942 1136 1 2 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.687 0.018 18942 1137 1 2 . 1 1 56 56 ASN H H 56 8.378 8.378 8.641 -0.263 18942 1138 1 2 . 1 1 57 57 LEU C C 57 175.843 175.843 178.288 -2.445 18942 1139 1 2 . 1 1 57 57 LEU CA C 57 58.498 58.498 58.009 0.489 18942 1140 1 2 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.234 1.760 18942 1141 1 2 . 1 1 58 58 ASN N N 58 108.256 108.256 115.570 -7.314 18942 1142 1 2 . 1 1 58 58 ASN C C 58 177.051 177.051 175.246 1.805 18942 1143 1 2 . 1 1 58 58 ASN CA C 58 50.879 50.879 53.397 -2.518 18942 1144 1 2 . 1 1 58 58 ASN CB C 58 38.911 38.911 37.937 0.974 18942 1145 1 2 . 1 1 58 58 ASN H H 58 7.345 7.345 7.863 -0.518 18942 1146 1 2 . 1 1 59 59 LYS N N 59 121.550 121.550 119.987 1.563 18942 1147 1 2 . 1 1 59 59 LYS C C 59 176.380 176.380 176.158 0.222 18942 1148 1 2 . 1 1 59 59 LYS CA C 59 59.241 59.241 54.517 4.724 18942 1149 1 2 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.806 0.056 18942 1150 1 2 . 1 1 59 59 LYS H H 59 7.793 7.793 7.526 0.267 18942 1151 1 2 . 1 1 60 60 TYR N N 60 115.388 115.388 117.333 -1.945 18942 1152 1 2 . 1 1 60 60 TYR C C 60 176.551 176.551 175.303 1.248 18942 1153 1 2 . 1 1 60 60 TYR CA C 60 56.785 56.785 57.239 -0.454 18942 1154 1 2 . 1 1 60 60 TYR CB C 60 40.587 40.587 38.671 1.916 18942 1155 1 2 . 1 1 60 60 TYR H H 60 8.838 8.838 7.824 1.014 18942 1156 1 2 . 1 1 61 61 SER N N 61 113.454 113.454 114.292 -0.838 18942 1157 1 2 . 1 1 61 61 SER C C 61 172.093 172.093 173.163 -1.070 18942 1158 1 2 . 1 1 61 61 SER CA C 61 57.686 57.686 58.491 -0.805 18942 1159 1 2 . 1 1 61 61 SER CB C 61 64.641 64.641 65.468 -0.827 18942 1160 1 2 . 1 1 61 61 SER H H 61 8.869 8.869 8.556 0.313 18942 1161 1 2 . 1 1 62 62 SER N N 62 110.923 110.923 113.189 -2.266 18942 1162 1 2 . 1 1 62 62 SER C C 62 174.355 174.355 174.639 -0.284 18942 1163 1 2 . 1 1 62 62 SER CA C 62 56.928 56.928 56.793 0.135 18942 1164 1 2 . 1 1 62 62 SER CB C 62 67.154 67.154 66.551 0.603 18942 1165 1 2 . 1 1 62 62 SER H H 62 7.236 7.236 7.517 -0.281 18942 1166 1 2 . 1 1 63 63 THR N N 63 120.405 120.405 117.508 2.897 18942 1167 1 2 . 1 1 63 63 THR C C 63 175.543 175.543 176.354 -0.811 18942 1168 1 2 . 1 1 63 63 THR CA C 63 69.245 69.245 67.726 1.519 18942 1169 1 2 . 1 1 63 63 THR CB C 63 67.203 67.203 68.685 -1.482 18942 1170 1 2 . 1 1 63 63 THR H H 63 9.263 9.263 8.612 0.651 18942 1171 1 2 . 1 1 64 64 GLU N N 64 119.002 119.002 120.813 -1.811 18942 1172 1 2 . 1 1 64 64 GLU C C 64 178.754 178.754 178.456 0.298 18942 1173 1 2 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.947 0.490 18942 1174 1 2 . 1 1 64 64 GLU CB C 64 29.466 29.466 28.967 0.499 18942 1175 1 2 . 1 1 64 64 GLU H H 64 8.873 8.873 8.658 0.215 18942 1176 1 2 . 1 1 65 65 GLU N N 65 114.467 114.467 119.158 -4.691 18942 1177 1 2 . 1 1 65 65 GLU CA C 65 59.051 59.051 58.874 0.177 18942 1178 1 2 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.386 1.952 18942 1179 1 2 . 1 1 65 65 GLU H H 65 7.299 7.299 7.770 -0.471 18942 1180 1 2 . 1 1 66 66 VAL N N 66 118.486 118.486 120.250 -1.764 18942 1181 1 2 . 1 1 66 66 VAL C C 66 176.723 176.723 178.045 -1.322 18942 1182 1 2 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.331 -0.313 18942 1183 1 2 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.639 -0.104 18942 1184 1 2 . 1 1 66 66 VAL H H 66 7.361 7.361 8.000 -0.639 18942 1185 1 2 . 1 1 67 67 LEU N N 67 119.314 119.314 121.234 -1.920 18942 1186 1 2 . 1 1 67 67 LEU C C 67 180.087 180.087 178.672 1.415 18942 1187 1 2 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.231 -0.231 18942 1188 1 2 . 1 1 67 67 LEU CB C 67 41.941 41.941 42.141 -0.200 18942 1189 1 2 . 1 1 67 67 LEU H H 67 8.154 8.154 8.113 0.041 18942 1190 1 2 . 1 1 68 68 VAL N N 68 117.110 117.110 118.285 -1.175 18942 1191 1 2 . 1 1 68 68 VAL C C 68 179.736 179.736 177.238 2.498 18942 1192 1 2 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.481 0.712 18942 1193 1 2 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.753 0.442 18942 1194 1 2 . 1 1 68 68 VAL H H 68 7.110 7.110 8.526 -1.416 18942 1195 1 2 . 1 1 69 69 ALA N N 69 119.661 119.661 122.043 -2.382 18942 1196 1 2 . 1 1 69 69 ALA C C 69 181.653 181.653 178.753 2.900 18942 1197 1 2 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.714 0.366 18942 1198 1 2 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.168 2.912 18942 1199 1 2 . 1 1 69 69 ALA H H 69 6.970 6.970 7.616 -0.646 18942 1200 1 2 . 1 1 70 70 ALA N N 70 120.071 120.071 120.831 -0.760 18942 1201 1 2 . 1 1 70 70 ALA C C 70 178.758 178.758 178.903 -0.145 18942 1202 1 2 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.218 -0.115 18942 1203 1 2 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.704 -0.607 18942 1204 1 2 . 1 1 70 70 ALA H H 70 8.881 8.881 7.608 1.273 18942 1205 1 2 . 1 1 71 71 LYS N N 71 112.889 112.889 114.220 -1.331 18942 1206 1 2 . 1 1 71 71 LYS C C 71 177.551 177.551 178.021 -0.470 18942 1207 1 2 . 1 1 71 71 LYS CA C 71 58.190 58.190 57.738 0.452 18942 1208 1 2 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.231 0.606 18942 1209 1 2 . 1 1 71 71 LYS H H 71 7.124 7.124 7.607 -0.483 18942 1210 1 2 . 1 1 72 72 LYS N N 72 114.633 114.633 119.159 -4.526 18942 1211 1 2 . 1 1 72 72 LYS C C 72 176.789 176.789 177.056 -0.267 18942 1212 1 2 . 1 1 72 72 LYS CA C 72 55.865 55.865 57.872 -2.007 18942 1213 1 2 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.303 0.104 18942 1214 1 2 . 1 1 72 72 LYS H H 72 7.150 7.150 7.581 -0.431 18942 1215 1 2 . 1 1 73 73 ILE N N 73 120.045 120.045 121.171 -1.126 18942 1216 1 2 . 1 1 73 73 ILE C C 73 176.494 176.494 174.783 1.711 18942 1217 1 2 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.274 1.755 18942 1218 1 2 . 1 1 73 73 ILE CB C 73 37.347 37.347 37.489 -0.142 18942 1219 1 2 . 1 1 73 73 ILE H H 73 7.164 7.164 7.692 -0.528 18942 1220 1 2 . 1 1 74 74 VAL N N 74 126.199 126.199 122.668 3.531 18942 1221 1 2 . 1 1 74 74 VAL C C 74 174.021 174.021 174.293 -0.272 18942 1222 1 2 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.653 -0.006 18942 1223 1 2 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.855 0.118 18942 1224 1 2 . 1 1 74 74 VAL H H 74 8.174 8.174 7.907 0.267 18942 1225 1 2 . 1 1 75 75 GLN N N 75 123.009 123.009 124.437 -1.428 18942 1226 1 2 . 1 1 75 75 GLN CA C 75 55.478 55.478 55.095 0.383 18942 1227 1 2 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.063 -1.932 18942 1228 1 2 . 1 1 75 75 GLN H H 75 7.569 7.569 6.675 0.894 18942 1229 1 2 . 1 1 76 76 ARG N N 76 129.740 129.740 123.762 5.978 18942 1230 1 2 . 1 1 76 76 ARG C C 76 178.628 178.628 175.655 2.973 18942 1231 1 2 . 1 1 76 76 ARG CA C 76 57.917 57.917 56.167 1.750 18942 1232 1 2 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.955 -1.176 18942 1233 1 2 . 1 1 76 76 ARG H H 76 9.670 9.670 8.571 1.099 18942 1234 1 2 . 1 1 77 77 GLY N N 77 106.443 106.443 104.472 1.971 18942 1235 1 2 . 1 1 77 77 GLY C C 77 174.221 174.221 172.700 1.521 18942 1236 1 2 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.898 0.018 18942 1237 1 2 . 1 1 77 77 GLY H H 77 7.360 7.360 7.891 -0.531 18942 1238 1 2 . 1 1 78 78 GLY N N 78 103.622 103.622 105.742 -2.120 18942 1239 1 2 . 1 1 78 78 GLY C C 78 172.710 172.710 172.713 -0.003 18942 1240 1 2 . 1 1 78 78 GLY CA C 78 46.986 46.986 45.087 1.899 18942 1241 1 2 . 1 1 78 78 GLY H H 78 7.851 7.851 8.179 -0.328 18942 1242 1 2 . 1 1 79 79 ARG N N 79 124.452 124.452 119.427 5.025 18942 1243 1 2 . 1 1 79 79 ARG C C 79 174.484 174.484 175.013 -0.529 18942 1244 1 2 . 1 1 79 79 ARG CA C 79 57.437 57.437 55.315 2.122 18942 1245 1 2 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.451 -1.113 18942 1246 1 2 . 1 1 79 79 ARG H H 79 9.952 9.952 9.327 0.625 18942 1247 1 2 . 1 1 80 80 GLN N N 80 113.887 113.887 118.243 -4.356 18942 1248 1 2 . 1 1 80 80 GLN C C 80 173.824 173.824 174.237 -0.413 18942 1249 1 2 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.848 0.193 18942 1250 1 2 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.290 2.365 18942 1251 1 2 . 1 1 80 80 GLN H H 80 7.411 7.411 7.620 -0.209 18942 1252 1 2 . 1 1 81 81 THR N N 81 117.791 117.791 122.057 -4.266 18942 1253 1 2 . 1 1 81 81 THR C C 81 175.393 175.393 172.983 2.410 18942 1254 1 2 . 1 1 81 81 THR CA C 81 62.222 62.222 61.812 0.410 18942 1255 1 2 . 1 1 81 81 THR CB C 81 71.140 71.140 69.930 1.210 18942 1256 1 2 . 1 1 81 81 THR H H 81 11.198 11.198 9.421 1.777 18942 1257 1 2 . 1 1 82 82 MET N N 82 128.338 128.338 127.909 0.429 18942 1258 1 2 . 1 1 82 82 MET C C 82 175.011 175.011 176.114 -1.103 18942 1259 1 2 . 1 1 82 82 MET CA C 82 52.078 52.078 52.957 -0.879 18942 1260 1 2 . 1 1 82 82 MET CB C 82 29.146 29.146 33.505 -4.359 18942 1261 1 2 . 1 1 82 82 MET H H 82 8.679 8.679 9.251 -0.572 18942 1262 1 2 . 1 1 83 83 THR N N 83 120.032 120.032 121.522 -1.490 18942 1263 1 2 . 1 1 83 83 THR C C 83 175.014 175.014 175.602 -0.588 18942 1264 1 2 . 1 1 83 83 THR CA C 83 65.627 65.627 66.831 -1.204 18942 1265 1 2 . 1 1 83 83 THR CB C 83 69.254 69.254 68.857 0.397 18942 1266 1 2 . 1 1 83 83 THR H H 83 6.986 6.986 8.895 -1.909 18942 1267 1 2 . 1 1 84 84 ALA N N 84 126.207 126.207 123.588 2.619 18942 1268 1 2 . 1 1 84 84 ALA C C 84 179.500 179.500 179.008 0.492 18942 1269 1 2 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.990 1.079 18942 1270 1 2 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.180 -1.450 18942 1271 1 2 . 1 1 84 84 ALA H H 84 10.069 10.069 8.217 1.852 18942 1272 1 2 . 1 1 85 85 LEU N N 85 119.501 119.501 119.952 -0.451 18942 1273 1 2 . 1 1 85 85 LEU C C 85 181.098 181.098 178.966 2.132 18942 1274 1 2 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.498 0.407 18942 1275 1 2 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.708 0.060 18942 1276 1 2 . 1 1 85 85 LEU H H 85 8.166 8.166 7.459 0.707 18942 1277 1 2 . 1 1 86 86 GLY N N 86 110.546 110.546 107.945 2.601 18942 1278 1 2 . 1 1 86 86 GLY C C 86 174.135 174.135 176.027 -1.892 18942 1279 1 2 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.234 0.089 18942 1280 1 2 . 1 1 86 86 GLY H H 86 8.720 8.720 8.120 0.600 18942 1281 1 2 . 1 1 87 87 ILE N N 87 120.213 120.213 122.149 -1.936 18942 1282 1 2 . 1 1 87 87 ILE C C 87 177.503 177.503 177.519 -0.016 18942 1283 1 2 . 1 1 87 87 ILE CA C 87 66.253 66.253 65.522 0.731 18942 1284 1 2 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.788 1.123 18942 1285 1 2 . 1 1 87 87 ILE H H 87 8.141 8.141 8.139 0.002 18942 1286 1 2 . 1 1 88 88 ASP N N 88 118.326 118.326 119.933 -1.607 18942 1287 1 2 . 1 1 88 88 ASP C C 88 178.751 178.751 178.616 0.135 18942 1288 1 2 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.744 -0.175 18942 1289 1 2 . 1 1 88 88 ASP CB C 88 43.248 43.248 41.024 2.224 18942 1290 1 2 . 1 1 88 88 ASP H H 88 8.512 8.512 8.546 -0.034 18942 1291 1 2 . 1 1 89 89 THR N N 89 112.028 112.028 115.861 -3.833 18942 1292 1 2 . 1 1 89 89 THR C C 89 176.400 176.400 176.208 0.192 18942 1293 1 2 . 1 1 89 89 THR CA C 89 68.345 68.345 65.167 3.178 18942 1294 1 2 . 1 1 89 89 THR CB C 89 67.082 67.082 69.148 -2.066 18942 1295 1 2 . 1 1 89 89 THR H H 89 8.470 8.470 8.087 0.383 18942 1296 1 2 . 1 1 90 90 ALA N N 90 124.209 124.209 125.006 -0.797 18942 1297 1 2 . 1 1 90 90 ALA C C 90 178.756 178.756 179.047 -0.291 18942 1298 1 2 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.377 0.639 18942 1299 1 2 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.517 0.492 18942 1300 1 2 . 1 1 90 90 ALA H H 90 8.159 8.159 8.482 -0.323 18942 1301 1 2 . 1 1 91 91 ARG N N 91 116.481 116.481 115.936 0.545 18942 1302 1 2 . 1 1 91 91 ARG C C 91 177.990 177.990 177.157 0.833 18942 1303 1 2 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.837 1.892 18942 1304 1 2 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.207 -0.289 18942 1305 1 2 . 1 1 91 91 ARG H H 91 8.479 8.479 8.113 0.366 18942 1306 1 2 . 1 1 92 92 LYS N N 92 113.675 113.675 116.084 -2.409 18942 1307 1 2 . 1 1 92 92 LYS C C 92 178.208 178.208 176.902 1.306 18942 1308 1 2 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.607 1.373 18942 1309 1 2 . 1 1 92 92 LYS CB C 92 34.233 34.233 32.634 1.599 18942 1310 1 2 . 1 1 92 92 LYS H H 92 8.073 8.073 7.425 0.648 18942 1311 1 2 . 1 1 93 93 GLU N N 93 112.950 112.950 118.397 -5.447 18942 1312 1 2 . 1 1 93 93 GLU C C 93 178.160 178.160 177.865 0.295 18942 1313 1 2 . 1 1 93 93 GLU CA C 93 57.300 57.300 58.071 -0.771 18942 1314 1 2 . 1 1 93 93 GLU CB C 93 33.059 33.059 31.357 1.702 18942 1315 1 2 . 1 1 93 93 GLU H H 93 8.678 8.678 8.015 0.663 18942 1316 1 2 . 1 1 94 94 ALA N N 94 119.150 119.150 123.867 -4.717 18942 1317 1 2 . 1 1 94 94 ALA C C 94 177.262 177.262 179.380 -2.118 18942 1318 1 2 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.598 0.513 18942 1319 1 2 . 1 1 94 94 ALA CB C 94 20.213 20.213 18.997 1.216 18942 1320 1 2 . 1 1 94 94 ALA H H 94 8.529 8.529 7.943 0.586 18942 1321 1 2 . 1 1 95 95 PHE N N 95 111.282 111.282 118.595 -7.313 18942 1322 1 2 . 1 1 95 95 PHE C C 95 175.308 175.308 174.870 0.438 18942 1323 1 2 . 1 1 95 95 PHE CA C 95 56.984 56.984 57.935 -0.951 18942 1324 1 2 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.536 0.429 18942 1325 1 2 . 1 1 95 95 PHE H H 95 6.981 6.981 7.930 -0.949 18942 1326 1 2 . 1 1 96 96 THR N N 96 106.274 106.274 110.577 -4.303 18942 1327 1 2 . 1 1 96 96 THR CA C 96 59.540 59.540 59.725 -0.185 18942 1328 1 2 . 1 1 96 96 THR CB C 96 71.910 71.910 72.141 -0.231 18942 1329 1 2 . 1 1 96 96 THR H H 96 6.842 6.842 7.595 -0.753 18942 1330 1 2 . 1 1 98 98 ALA C C 98 179.284 179.284 179.338 -0.054 18942 1331 1 2 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.007 1.014 18942 1332 1 2 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.403 0.253 18942 1333 1 2 . 1 1 99 99 ARG N N 99 114.439 114.439 117.063 -2.624 18942 1334 1 2 . 1 1 99 99 ARG C C 99 174.052 174.052 175.867 -1.815 18942 1335 1 2 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.555 2.160 18942 1336 1 2 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.400 -0.126 18942 1337 1 2 . 1 1 99 99 ARG H H 99 7.061 7.061 7.768 -0.707 18942 1338 1 2 . 1 1 100 100 GLY N N 100 101.608 101.608 105.180 -3.572 18942 1339 1 2 . 1 1 100 100 GLY C C 100 174.164 174.164 173.762 0.402 18942 1340 1 2 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.625 1.085 18942 1341 1 2 . 1 1 100 100 GLY H H 100 7.496 7.496 7.540 -0.044 18942 1342 1 2 . 1 1 101 101 ALA N N 101 123.007 123.007 123.506 -0.499 18942 1343 1 2 . 1 1 101 101 ALA C C 101 177.955 177.955 177.072 0.883 18942 1344 1 2 . 1 1 101 101 ALA CA C 101 53.120 53.120 51.651 1.469 18942 1345 1 2 . 1 1 101 101 ALA CB C 101 18.525 18.525 19.864 -1.339 18942 1346 1 2 . 1 1 101 101 ALA H H 101 7.691 7.691 8.111 -0.420 18942 1347 1 2 . 1 1 102 102 ARG N N 102 124.837 124.837 123.888 0.949 18942 1348 1 2 . 1 1 102 102 ARG C C 102 176.459 176.459 176.471 -0.012 18942 1349 1 2 . 1 1 102 102 ARG CA C 102 55.186 55.186 54.442 0.744 18942 1350 1 2 . 1 1 102 102 ARG CB C 102 32.273 32.273 31.045 1.228 18942 1351 1 2 . 1 1 102 102 ARG H H 102 9.456 9.456 9.558 -0.102 18942 1352 1 2 . 1 1 103 103 ARG N N 103 123.729 123.729 124.597 -0.868 18942 1353 1 2 . 1 1 103 103 ARG CA C 103 57.793 57.793 57.172 0.621 18942 1354 1 2 . 1 1 103 103 ARG CB C 103 30.039 30.039 30.505 -0.466 18942 1355 1 2 . 1 1 103 103 ARG H H 103 8.520 8.520 8.690 -0.170 18942 1356 1 2 . 1 1 104 104 GLY N N 104 108.061 108.061 111.621 -3.560 18942 1357 1 2 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.772 1.137 18942 1358 1 2 . 1 1 104 104 GLY H H 104 8.345 8.345 8.779 -0.434 18942 1359 1 2 . 1 1 105 105 VAL N N 105 118.807 118.807 118.994 -0.187 18942 1360 1 2 . 1 1 105 105 VAL C C 105 176.102 176.102 175.239 0.863 18942 1361 1 2 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.331 1.474 18942 1362 1 2 . 1 1 105 105 VAL CB C 105 31.820 31.820 33.947 -2.127 18942 1363 1 2 . 1 1 105 105 VAL H H 105 7.298 7.298 7.552 -0.254 18942 1364 1 2 . 1 1 106 106 LYS N N 106 127.841 127.841 124.871 2.970 18942 1365 1 2 . 1 1 106 106 LYS C C 106 174.143 174.143 175.849 -1.706 18942 1366 1 2 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.699 0.948 18942 1367 1 2 . 1 1 106 106 LYS CB C 106 33.387 33.387 32.069 1.319 18942 1368 1 2 . 1 1 106 106 LYS H H 106 8.288 8.288 8.650 -0.362 18942 1369 1 2 . 1 1 107 107 LYS N N 107 122.939 122.939 125.372 -2.433 18942 1370 1 2 . 1 1 107 107 LYS C C 107 176.540 176.540 175.509 1.031 18942 1371 1 2 . 1 1 107 107 LYS CA C 107 55.587 55.587 55.503 0.084 18942 1372 1 2 . 1 1 107 107 LYS CB C 107 35.607 35.607 32.462 3.145 18942 1373 1 2 . 1 1 107 107 LYS H H 107 8.401 8.401 8.558 -0.157 18942 1374 1 2 . 1 1 108 108 VAL N N 108 122.376 122.376 125.933 -3.557 18942 1375 1 2 . 1 1 108 108 VAL C C 108 174.507 174.507 174.882 -0.375 18942 1376 1 2 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.769 -0.758 18942 1377 1 2 . 1 1 108 108 VAL CB C 108 36.923 36.923 34.894 2.029 18942 1378 1 2 . 1 1 108 108 VAL H H 108 8.940 8.940 9.290 -0.350 18942 1379 1 2 . 1 1 109 109 MET N N 109 124.377 124.377 126.293 -1.916 18942 1380 1 2 . 1 1 109 109 MET C C 109 175.232 175.232 174.837 0.395 18942 1381 1 2 . 1 1 109 109 MET CA C 109 54.123 54.123 54.775 -0.652 18942 1382 1 2 . 1 1 109 109 MET CB C 109 39.360 39.360 35.567 3.793 18942 1383 1 2 . 1 1 109 109 MET H H 109 9.599 9.599 9.513 0.086 18942 1384 1 2 . 1 1 110 110 VAL N N 110 123.296 123.296 125.615 -2.319 18942 1385 1 2 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.560 -0.362 18942 1386 1 2 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.495 0.680 18942 1387 1 2 . 1 1 110 110 VAL H H 110 8.484 8.484 9.477 -0.993 18942 1388 1 2 . 1 1 111 111 ILE N N 111 128.689 128.689 127.735 0.954 18942 1389 1 2 . 1 1 111 111 ILE C C 111 173.965 173.965 174.564 -0.599 18942 1390 1 2 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.776 1.561 18942 1391 1 2 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.277 0.012 18942 1392 1 2 . 1 1 111 111 ILE H H 111 9.330 9.330 9.382 -0.052 18942 1393 1 2 . 1 1 112 112 VAL N N 112 127.498 127.498 127.236 0.262 18942 1394 1 2 . 1 1 112 112 VAL C C 112 174.932 174.932 174.729 0.203 18942 1395 1 2 . 1 1 112 112 VAL CA C 112 60.642 60.642 59.696 0.946 18942 1396 1 2 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.310 -1.120 18942 1397 1 2 . 1 1 112 112 VAL H H 112 8.376 8.376 8.750 -0.374 18942 1398 1 2 . 1 1 113 113 THR N N 113 116.756 116.756 123.523 -6.767 18942 1399 1 2 . 1 1 113 113 THR C C 113 170.881 170.881 173.616 -2.735 18942 1400 1 2 . 1 1 113 113 THR CA C 113 60.693 60.693 60.878 -0.185 18942 1401 1 2 . 1 1 113 113 THR CB C 113 67.772 67.772 71.895 -4.123 18942 1402 1 2 . 1 1 113 113 THR H H 113 8.521 8.521 8.948 -0.427 18942 1403 1 2 . 1 1 114 114 ASP N N 114 122.719 122.719 122.825 -0.106 18942 1404 1 2 . 1 1 114 114 ASP C C 114 177.015 177.015 176.943 0.072 18942 1405 1 2 . 1 1 114 114 ASP CA C 114 54.041 54.041 54.549 -0.508 18942 1406 1 2 . 1 1 114 114 ASP CB C 114 42.671 42.671 41.353 1.318 18942 1407 1 2 . 1 1 114 114 ASP H H 114 7.341 7.341 8.714 -1.373 18942 1408 1 2 . 1 1 115 115 GLY N N 115 103.370 103.370 107.572 -4.202 18942 1409 1 2 . 1 1 115 115 GLY C C 115 171.751 171.751 172.853 -1.102 18942 1410 1 2 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.403 1.267 18942 1411 1 2 . 1 1 115 115 GLY H H 115 7.312 7.312 7.864 -0.552 18942 1412 1 2 . 1 1 116 116 GLU N N 116 120.631 120.631 120.704 -0.073 18942 1413 1 2 . 1 1 116 116 GLU C C 116 175.037 175.037 174.508 0.529 18942 1414 1 2 . 1 1 116 116 GLU CA C 116 54.252 54.252 55.237 -0.985 18942 1415 1 2 . 1 1 116 116 GLU CB C 116 27.313 27.313 32.675 -5.362 18942 1416 1 2 . 1 1 116 116 GLU H H 116 7.332 7.332 8.317 -0.985 18942 1417 1 2 . 1 1 117 117 SER N N 117 116.730 116.730 120.263 -3.533 18942 1418 1 2 . 1 1 117 117 SER C C 117 176.356 176.356 174.124 2.232 18942 1419 1 2 . 1 1 117 117 SER CA C 117 57.832 57.832 58.127 -0.295 18942 1420 1 2 . 1 1 117 117 SER CB C 117 66.407 66.407 63.468 2.939 18942 1421 1 2 . 1 1 117 117 SER H H 117 7.964 7.964 8.739 -0.775 18942 1422 1 2 . 1 1 118 118 HIS N N 118 115.543 115.543 121.855 -6.312 18942 1423 1 2 . 1 1 118 118 HIS C C 118 176.602 176.602 174.732 1.870 18942 1424 1 2 . 1 1 118 118 HIS CA C 118 59.291 59.291 59.153 0.138 18942 1425 1 2 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.251 2.568 18942 1426 1 2 . 1 1 118 118 HIS H H 118 9.274 9.274 8.509 0.765 18942 1427 1 2 . 1 1 119 119 ASP N N 119 120.197 120.197 116.606 3.591 18942 1428 1 2 . 1 1 119 119 ASP CA C 119 52.565 52.565 53.251 -0.686 18942 1429 1 2 . 1 1 119 119 ASP CB C 119 40.309 40.309 42.605 -2.296 18942 1430 1 2 . 1 1 119 119 ASP H H 119 8.160 8.160 8.183 -0.023 18942 1431 1 2 . 1 1 120 120 ASN CA C 120 56.154 56.154 53.223 2.931 18942 1432 1 2 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.686 -0.547 18942 1433 1 2 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.801 -2.330 18942 1434 1 2 . 1 1 121 121 HIS CB C 121 29.510 29.510 30.034 -0.524 18942 1435 1 2 . 1 1 122 122 ARG N N 122 117.636 117.636 119.821 -2.185 18942 1436 1 2 . 1 1 122 122 ARG CA C 122 55.611 55.611 59.411 -3.800 18942 1437 1 2 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.008 1.778 18942 1438 1 2 . 1 1 122 122 ARG H H 122 7.299 7.299 8.959 -1.660 18942 1439 1 2 . 1 1 123 123 LEU N N 123 119.507 119.507 121.444 -1.937 18942 1440 1 2 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.323 0.148 18942 1441 1 2 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.254 0.922 18942 1442 1 2 . 1 1 123 123 LEU H H 123 7.065 7.065 8.067 -1.002 18942 1443 1 2 . 1 1 124 124 LYS N N 124 116.723 116.723 117.620 -0.897 18942 1444 1 2 . 1 1 124 124 LYS CA C 124 60.473 60.473 58.986 1.487 18942 1445 1 2 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.622 0.253 18942 1446 1 2 . 1 1 124 124 LYS H H 124 8.426 8.426 7.913 0.513 18942 1447 1 2 . 1 1 125 125 LYS N N 125 119.329 119.329 120.253 -0.924 18942 1448 1 2 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.608 -0.256 18942 1449 1 2 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.050 -0.566 18942 1450 1 2 . 1 1 125 125 LYS H H 125 7.746 7.746 7.385 0.361 18942 1451 1 2 . 1 1 126 126 VAL N N 126 117.688 117.688 120.411 -2.723 18942 1452 1 2 . 1 1 126 126 VAL C C 126 178.187 178.187 178.730 -0.543 18942 1453 1 2 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.644 -0.502 18942 1454 1 2 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.730 0.246 18942 1455 1 2 . 1 1 126 126 VAL H H 126 7.450 7.450 8.476 -1.026 18942 1456 1 2 . 1 1 127 127 ILE N N 127 120.125 120.125 120.273 -0.148 18942 1457 1 2 . 1 1 127 127 ILE C C 127 178.008 178.008 177.540 0.468 18942 1458 1 2 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.732 -1.449 18942 1459 1 2 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.449 -2.080 18942 1460 1 2 . 1 1 127 127 ILE H H 127 8.653 8.653 8.200 0.453 18942 1461 1 2 . 1 1 128 128 GLN N N 128 121.110 121.110 119.755 1.355 18942 1462 1 2 . 1 1 128 128 GLN C C 128 178.258 178.258 178.232 0.026 18942 1463 1 2 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.642 -0.845 18942 1464 1 2 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.378 -0.873 18942 1465 1 2 . 1 1 128 128 GLN H H 128 8.009 8.009 8.068 -0.059 18942 1466 1 2 . 1 1 129 129 ASP N N 129 119.024 119.024 120.565 -1.541 18942 1467 1 2 . 1 1 129 129 ASP C C 129 179.705 179.705 178.626 1.079 18942 1468 1 2 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.448 0.614 18942 1469 1 2 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.288 -0.511 18942 1470 1 2 . 1 1 129 129 ASP H H 129 8.428 8.428 8.144 0.284 18942 1471 1 2 . 1 1 130 130 CYS N N 130 115.536 115.536 118.343 -2.807 18942 1472 1 2 . 1 1 130 130 CYS C C 130 176.824 176.824 176.452 0.372 18942 1473 1 2 . 1 1 130 130 CYS CA C 130 64.211 64.211 63.979 0.232 18942 1474 1 2 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.512 0.258 18942 1475 1 2 . 1 1 130 130 CYS H H 130 7.608 7.608 8.214 -0.606 18942 1476 1 2 . 1 1 131 131 GLU N N 131 123.098 123.098 120.252 2.846 18942 1477 1 2 . 1 1 131 131 GLU C C 131 180.904 180.904 178.136 2.768 18942 1478 1 2 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.225 -0.215 18942 1479 1 2 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.452 -0.034 18942 1480 1 2 . 1 1 131 131 GLU H H 131 8.538 8.538 7.947 0.591 18942 1481 1 2 . 1 1 132 132 ASP N N 132 121.058 121.058 119.825 1.233 18942 1482 1 2 . 1 1 132 132 ASP C C 132 177.666 177.666 178.075 -0.409 18942 1483 1 2 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.636 0.366 18942 1484 1 2 . 1 1 132 132 ASP CB C 132 40.439 40.439 40.991 -0.552 18942 1485 1 2 . 1 1 132 132 ASP H H 132 8.844 8.844 7.922 0.922 18942 1486 1 2 . 1 1 133 133 GLU N N 133 116.312 116.312 117.455 -1.143 18942 1487 1 2 . 1 1 133 133 GLU C C 133 174.841 174.841 175.941 -1.100 18942 1488 1 2 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.237 0.061 18942 1489 1 2 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.442 -0.176 18942 1490 1 2 . 1 1 133 133 GLU H H 133 6.997 6.997 8.159 -1.162 18942 1491 1 2 . 1 1 134 134 ASN N N 134 113.879 113.879 114.878 -0.999 18942 1492 1 2 . 1 1 134 134 ASN C C 134 174.994 174.994 173.688 1.306 18942 1493 1 2 . 1 1 134 134 ASN CA C 134 54.449 54.449 54.186 0.263 18942 1494 1 2 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.754 0.393 18942 1495 1 2 . 1 1 134 134 ASN H H 134 8.069 8.069 7.610 0.459 18942 1496 1 2 . 1 1 135 135 ILE N N 135 118.502 118.502 119.093 -0.591 18942 1497 1 2 . 1 1 135 135 ILE C C 135 175.226 175.226 175.304 -0.078 18942 1498 1 2 . 1 1 135 135 ILE CA C 135 61.286 61.286 60.787 0.499 18942 1499 1 2 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.444 -0.388 18942 1500 1 2 . 1 1 135 135 ILE H H 135 7.583 7.583 8.470 -0.887 18942 1501 1 2 . 1 1 136 136 GLN N N 136 131.359 131.359 125.170 6.189 18942 1502 1 2 . 1 1 136 136 GLN C C 136 174.743 174.743 174.681 0.062 18942 1503 1 2 . 1 1 136 136 GLN CA C 136 56.088 56.088 54.911 1.177 18942 1504 1 2 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.740 0.645 18942 1505 1 2 . 1 1 136 136 GLN H H 136 7.950 7.950 8.460 -0.510 18942 1506 1 2 . 1 1 137 137 ARG N N 137 124.191 124.191 124.246 -0.055 18942 1507 1 2 . 1 1 137 137 ARG C C 137 175.598 175.598 175.601 -0.003 18942 1508 1 2 . 1 1 137 137 ARG CA C 137 54.853 54.853 55.232 -0.379 18942 1509 1 2 . 1 1 137 137 ARG CB C 137 31.120 31.120 31.036 0.084 18942 1510 1 2 . 1 1 137 137 ARG H H 137 9.182 9.182 7.815 1.367 18942 1511 1 2 . 1 1 138 138 PHE N N 138 121.323 121.323 126.706 -5.383 18942 1512 1 2 . 1 1 138 138 PHE C C 138 175.241 175.241 174.692 0.549 18942 1513 1 2 . 1 1 138 138 PHE CA C 138 56.641 56.641 57.344 -0.703 18942 1514 1 2 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.063 0.331 18942 1515 1 2 . 1 1 138 138 PHE H H 138 9.214 9.214 9.484 -0.270 18942 1516 1 2 . 1 1 139 139 SER N N 139 118.044 118.044 118.378 -0.334 18942 1517 1 2 . 1 1 139 139 SER C C 139 171.137 171.137 173.567 -2.430 18942 1518 1 2 . 1 1 139 139 SER CA C 139 55.777 55.777 56.028 -0.251 18942 1519 1 2 . 1 1 139 139 SER CB C 139 66.783 66.783 65.209 1.574 18942 1520 1 2 . 1 1 139 139 SER H H 139 9.601 9.601 9.328 0.273 18942 1521 1 2 . 1 1 140 140 ILE N N 140 123.236 123.236 125.208 -1.972 18942 1522 1 2 . 1 1 140 140 ILE C C 140 174.822 174.822 174.110 0.712 18942 1523 1 2 . 1 1 140 140 ILE CA C 140 56.556 56.556 57.750 -1.194 18942 1524 1 2 . 1 1 140 140 ILE CB C 140 37.629 37.629 39.780 -2.151 18942 1525 1 2 . 1 1 140 140 ILE H H 140 9.066 9.066 8.939 0.127 18942 1526 1 2 . 1 1 141 141 ALA N N 141 125.375 125.375 128.693 -3.318 18942 1527 1 2 . 1 1 141 141 ALA C C 141 177.131 177.131 175.416 1.715 18942 1528 1 2 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.844 1.273 18942 1529 1 2 . 1 1 141 141 ALA CB C 141 21.403 21.403 21.871 -0.468 18942 1530 1 2 . 1 1 141 141 ALA H H 141 8.790 8.790 8.498 0.292 18942 1531 1 2 . 1 1 142 142 ILE N N 142 123.744 123.744 124.976 -1.232 18942 1532 1 2 . 1 1 142 142 ILE C C 142 174.758 174.758 174.110 0.648 18942 1533 1 2 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.992 -1.799 18942 1534 1 2 . 1 1 142 142 ILE CB C 142 39.082 39.082 40.824 -1.742 18942 1535 1 2 . 1 1 142 142 ILE H H 142 7.973 7.973 7.910 0.063 18942 1536 1 2 . 1 1 143 143 LEU N N 143 123.041 123.041 125.687 -2.646 18942 1537 1 2 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.864 1.108 18942 1538 1 2 . 1 1 143 143 LEU CB C 143 43.790 43.790 45.239 -1.449 18942 1539 1 2 . 1 1 143 143 LEU H H 143 8.019 8.019 8.084 -0.065 18942 1540 1 2 . 1 1 144 144 GLY N N 144 108.993 108.993 107.036 1.957 18942 1541 1 2 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.607 1.632 18942 1542 1 2 . 1 1 144 144 GLY H H 144 8.581 8.581 8.195 0.386 18942 1543 1 2 . 1 1 145 145 SER N N 145 114.953 114.953 115.141 -0.188 18942 1544 1 2 . 1 1 145 145 SER CA C 145 58.614 58.614 58.789 -0.175 18942 1545 1 2 . 1 1 145 145 SER CB C 145 63.966 63.966 63.827 0.139 18942 1546 1 2 . 1 1 145 145 SER H H 145 8.589 8.589 8.199 0.390 18942 1547 1 2 . 1 1 146 146 TYR N N 146 117.249 117.249 122.816 -5.567 18942 1548 1 2 . 1 1 146 146 TYR CA C 146 56.684 56.684 57.563 -0.879 18942 1549 1 2 . 1 1 146 146 TYR CB C 146 39.174 39.174 38.851 0.323 18942 1550 1 2 . 1 1 146 146 TYR H H 146 7.476 7.476 8.156 -0.680 18942 1551 1 2 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.614 0.272 18942 1552 1 2 . 1 1 147 147 ASN CB C 147 38.657 38.657 41.042 -2.385 18942 1553 1 2 . 1 1 148 148 ARG N N 148 123.288 123.288 123.320 -0.032 18942 1554 1 2 . 1 1 148 148 ARG CA C 148 55.535 55.535 55.970 -0.435 18942 1555 1 2 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.770 -0.006 18942 1556 1 2 . 1 1 148 148 ARG H H 148 8.404 8.404 8.741 -0.337 18942 1557 1 2 . 1 1 149 149 GLY N N 149 107.339 107.339 109.332 -1.993 18942 1558 1 2 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.765 1.164 18942 1559 1 2 . 1 1 149 149 GLY H H 149 8.224 8.224 7.910 0.314 18942 1560 1 2 . 1 1 150 150 ASN N N 150 119.090 119.090 123.226 -4.136 18942 1561 1 2 . 1 1 150 150 ASN C C 150 175.341 175.341 175.893 -0.552 18942 1562 1 2 . 1 1 150 150 ASN CA C 150 53.387 53.387 53.070 0.317 18942 1563 1 2 . 1 1 150 150 ASN CB C 150 38.706 38.706 38.054 0.652 18942 1564 1 2 . 1 1 150 150 ASN H H 150 8.309 8.309 8.577 -0.268 18942 1565 1 2 . 1 1 151 151 LEU N N 151 121.177 121.177 124.908 -3.731 18942 1566 1 2 . 1 1 151 151 LEU C C 151 177.527 177.527 176.536 0.991 18942 1567 1 2 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.297 1.440 18942 1568 1 2 . 1 1 151 151 LEU CB C 151 42.673 42.673 41.681 0.992 18942 1569 1 2 . 1 1 151 151 LEU H H 151 7.929 7.929 8.430 -0.501 18942 1570 1 2 . 1 1 152 152 SER N N 152 115.325 115.325 113.791 1.534 18942 1571 1 2 . 1 1 152 152 SER C C 152 175.354 175.354 175.700 -0.346 18942 1572 1 2 . 1 1 152 152 SER CA C 152 57.739 57.739 59.112 -1.373 18942 1573 1 2 . 1 1 152 152 SER CB C 152 63.247 63.247 61.603 1.644 18942 1574 1 2 . 1 1 152 152 SER H H 152 8.185 8.185 8.580 -0.395 18942 1575 1 2 . 1 1 153 153 THR N N 153 115.287 115.287 116.214 -0.927 18942 1576 1 2 . 1 1 153 153 THR C C 153 175.758 175.758 175.833 -0.075 18942 1577 1 2 . 1 1 153 153 THR CA C 153 63.577 63.577 66.356 -2.779 18942 1578 1 2 . 1 1 153 153 THR CB C 153 69.280 69.280 68.731 0.549 18942 1579 1 2 . 1 1 153 153 THR H H 153 8.134 8.134 8.630 -0.496 18942 1580 1 2 . 1 1 154 154 GLU N N 154 121.501 121.501 121.200 0.301 18942 1581 1 2 . 1 1 154 154 GLU C C 154 178.589 178.589 178.633 -0.044 18942 1582 1 2 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.784 1.194 18942 1583 1 2 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.314 1.034 18942 1584 1 2 . 1 1 154 154 GLU H H 154 8.342 8.342 8.654 -0.312 18942 1585 1 2 . 1 1 155 155 LYS N N 155 117.473 117.473 118.927 -1.454 18942 1586 1 2 . 1 1 155 155 LYS C C 155 179.039 179.039 178.302 0.737 18942 1587 1 2 . 1 1 155 155 LYS CA C 155 58.776 58.776 57.651 1.125 18942 1588 1 2 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.962 -0.119 18942 1589 1 2 . 1 1 155 155 LYS H H 155 7.752 7.752 7.607 0.145 18942 1590 1 2 . 1 1 156 156 PHE N N 156 120.254 120.254 117.249 3.005 18942 1591 1 2 . 1 1 156 156 PHE C C 156 178.765 178.765 177.331 1.434 18942 1592 1 2 . 1 1 156 156 PHE CA C 156 57.339 57.339 60.524 -3.185 18942 1593 1 2 . 1 1 156 156 PHE CB C 156 37.037 37.037 39.658 -2.621 18942 1594 1 2 . 1 1 156 156 PHE H H 156 7.072 7.072 7.633 -0.561 18942 1595 1 2 . 1 1 157 157 VAL N N 157 118.268 118.268 120.329 -2.061 18942 1596 1 2 . 1 1 157 157 VAL C C 157 177.861 177.861 177.629 0.232 18942 1597 1 2 . 1 1 157 157 VAL CA C 157 67.455 67.455 66.759 0.696 18942 1598 1 2 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.565 0.298 18942 1599 1 2 . 1 1 157 157 VAL H H 157 8.007 8.007 8.232 -0.225 18942 1600 1 2 . 1 1 158 158 GLU N N 158 117.100 117.100 118.739 -1.639 18942 1601 1 2 . 1 1 158 158 GLU C C 158 179.377 179.377 178.640 0.737 18942 1602 1 2 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.651 -0.160 18942 1603 1 2 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.780 0.566 18942 1604 1 2 . 1 1 158 158 GLU H H 158 7.875 7.875 8.485 -0.610 18942 1605 1 2 . 1 1 159 159 GLU N N 159 119.959 119.959 117.976 1.983 18942 1606 1 2 . 1 1 159 159 GLU C C 159 179.622 179.622 177.852 1.770 18942 1607 1 2 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.438 1.913 18942 1608 1 2 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.280 0.079 18942 1609 1 2 . 1 1 159 159 GLU H H 159 7.746 7.746 7.662 0.084 18942 1610 1 2 . 1 1 160 160 ILE N N 160 119.530 119.530 117.149 2.381 18942 1611 1 2 . 1 1 160 160 ILE C C 160 180.262 180.262 177.953 2.309 18942 1612 1 2 . 1 1 160 160 ILE CA C 160 66.305 66.305 63.765 2.540 18942 1613 1 2 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.228 1.091 18942 1614 1 2 . 1 1 160 160 ILE H H 160 8.094 8.094 7.321 0.773 18942 1615 1 2 . 1 1 161 161 LYS N N 161 121.437 121.437 121.096 0.341 18942 1616 1 2 . 1 1 161 161 LYS C C 161 178.518 178.518 178.481 0.037 18942 1617 1 2 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.492 1.164 18942 1618 1 2 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.740 0.861 18942 1619 1 2 . 1 1 161 161 LYS H H 161 8.500 8.500 8.400 0.100 18942 1620 1 2 . 1 1 162 162 SER N N 162 113.380 113.380 114.502 -1.122 18942 1621 1 2 . 1 1 162 162 SER C C 162 174.773 174.773 175.179 -0.406 18942 1622 1 2 . 1 1 162 162 SER CA C 162 61.208 61.208 61.000 0.208 18942 1623 1 2 . 1 1 162 162 SER CB C 162 62.725 62.725 62.839 -0.114 18942 1624 1 2 . 1 1 162 162 SER H H 162 7.653 7.653 7.561 0.091 18942 1625 1 2 . 1 1 163 163 ILE N N 163 121.115 121.115 120.212 0.903 18942 1626 1 2 . 1 1 163 163 ILE C C 163 175.371 175.371 175.429 -0.058 18942 1627 1 2 . 1 1 163 163 ILE CA C 163 62.854 62.854 64.005 -1.151 18942 1628 1 2 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.041 1.596 18942 1629 1 2 . 1 1 163 163 ILE H H 163 7.068 7.068 7.453 -0.385 18942 1630 1 2 . 1 1 164 164 ALA N N 164 120.332 120.332 120.581 -0.249 18942 1631 1 2 . 1 1 164 164 ALA C C 164 178.713 178.713 177.146 1.567 18942 1632 1 2 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.562 0.992 18942 1633 1 2 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.607 0.213 18942 1634 1 2 . 1 1 164 164 ALA H H 164 6.801 6.801 7.365 -0.564 18942 1635 1 2 . 1 1 165 165 SER N N 165 120.959 120.959 119.914 1.045 18942 1636 1 2 . 1 1 165 165 SER C C 165 171.079 171.079 175.079 -4.000 18942 1637 1 2 . 1 1 165 165 SER CA C 165 61.464 61.464 60.159 1.305 18942 1638 1 2 . 1 1 165 165 SER CB C 165 61.858 61.858 63.800 -1.942 18942 1639 1 2 . 1 1 165 165 SER H H 165 8.656 8.656 8.770 -0.114 18942 1640 1 2 . 1 1 166 166 GLU N N 166 116.428 116.428 121.298 -4.870 18942 1641 1 2 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.097 0.050 18942 1642 1 2 . 1 1 166 166 GLU CB C 166 30.057 30.057 28.649 1.407 18942 1643 1 2 . 1 1 166 166 GLU H H 166 7.949 7.949 8.098 -0.149 18942 1644 1 2 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.923 -2.139 18942 1645 1 2 . 1 1 167 167 PRO CB C 167 34.469 34.469 31.888 2.581 18942 1646 1 2 . 1 1 168 168 THR C C 168 176.433 176.433 176.347 0.086 18942 1647 1 2 . 1 1 168 168 THR CA C 168 67.606 67.606 65.279 2.326 18942 1648 1 2 . 1 1 168 168 THR CB C 168 69.086 69.086 68.844 0.242 18942 1649 1 2 . 1 1 169 169 GLU N N 169 118.116 118.116 120.927 -2.811 18942 1650 1 2 . 1 1 169 169 GLU C C 169 177.434 177.434 177.286 0.148 18942 1651 1 2 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.843 0.107 18942 1652 1 2 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.296 -0.725 18942 1653 1 2 . 1 1 169 169 GLU H H 169 9.598 9.598 8.646 0.952 18942 1654 1 2 . 1 1 170 170 LYS N N 170 114.965 114.965 113.363 1.602 18942 1655 1 2 . 1 1 170 170 LYS C C 170 173.967 173.967 176.327 -2.360 18942 1656 1 2 . 1 1 170 170 LYS CA C 170 56.221 56.221 55.953 0.268 18942 1657 1 2 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.664 1.150 18942 1658 1 2 . 1 1 170 170 LYS H H 170 7.300 7.300 7.433 -0.133 18942 1659 1 2 . 1 1 171 171 HIS N N 171 112.017 112.017 116.315 -4.298 18942 1660 1 2 . 1 1 171 171 HIS C C 171 171.860 171.860 172.913 -1.053 18942 1661 1 2 . 1 1 171 171 HIS CA C 171 57.840 57.840 55.830 2.010 18942 1662 1 2 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.283 0.412 18942 1663 1 2 . 1 1 171 171 HIS H H 171 7.198 7.198 8.059 -0.861 18942 1664 1 2 . 1 1 172 172 PHE N N 172 121.188 121.188 120.840 0.348 18942 1665 1 2 . 1 1 172 172 PHE C C 172 172.383 172.383 173.041 -0.658 18942 1666 1 2 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.934 -1.724 18942 1667 1 2 . 1 1 172 172 PHE CB C 172 41.412 41.412 42.448 -1.036 18942 1668 1 2 . 1 1 172 172 PHE H H 172 7.342 7.342 8.179 -0.837 18942 1669 1 2 . 1 1 173 173 PHE N N 173 120.855 120.855 120.365 0.490 18942 1670 1 2 . 1 1 173 173 PHE C C 173 173.751 173.751 172.477 1.274 18942 1671 1 2 . 1 1 173 173 PHE CA C 173 55.895 55.895 56.381 -0.486 18942 1672 1 2 . 1 1 173 173 PHE CB C 173 45.217 45.217 40.184 5.033 18942 1673 1 2 . 1 1 173 173 PHE H H 173 8.012 8.012 7.858 0.154 18942 1674 1 2 . 1 1 174 174 ASN N N 174 118.624 118.624 117.636 0.988 18942 1675 1 2 . 1 1 174 174 ASN C C 174 176.826 176.826 176.962 -0.136 18942 1676 1 2 . 1 1 174 174 ASN CA C 174 53.298 53.298 51.559 1.739 18942 1677 1 2 . 1 1 174 174 ASN CB C 174 40.549 40.549 39.682 0.867 18942 1678 1 2 . 1 1 174 174 ASN H H 174 8.760 8.760 8.474 0.286 18942 1679 1 2 . 1 1 175 175 VAL N N 175 122.779 122.779 121.639 1.140 18942 1680 1 2 . 1 1 175 175 VAL C C 175 174.743 174.743 176.247 -1.504 18942 1681 1 2 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.522 -0.980 18942 1682 1 2 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.336 0.745 18942 1683 1 2 . 1 1 175 175 VAL H H 175 8.349 8.349 7.895 0.454 18942 1684 1 2 . 1 1 176 176 SER N N 176 111.983 111.983 111.642 0.341 18942 1685 1 2 . 1 1 176 176 SER C C 176 174.583 174.583 173.789 0.794 18942 1686 1 2 . 1 1 176 176 SER CA C 176 57.972 57.972 58.971 -0.999 18942 1687 1 2 . 1 1 176 176 SER CB C 176 63.722 63.722 63.167 0.555 18942 1688 1 2 . 1 1 176 176 SER H H 176 7.933 7.933 7.991 -0.058 18942 1689 1 2 . 1 1 177 177 ASP N N 177 122.321 122.321 121.305 1.016 18942 1690 1 2 . 1 1 177 177 ASP C C 177 178.008 178.008 175.747 2.261 18942 1691 1 2 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.579 0.736 18942 1692 1 2 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.589 -0.902 18942 1693 1 2 . 1 1 177 177 ASP H H 177 7.696 7.696 7.672 0.024 18942 1694 1 2 . 1 1 178 178 GLU N N 178 128.610 128.610 125.383 3.227 18942 1695 1 2 . 1 1 178 178 GLU C C 178 177.787 177.787 177.195 0.592 18942 1696 1 2 . 1 1 178 178 GLU CA C 178 59.124 59.124 57.453 1.671 18942 1697 1 2 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.822 -0.098 18942 1698 1 2 . 1 1 178 178 GLU H H 178 9.211 9.211 8.791 0.420 18942 1699 1 2 . 1 1 179 179 LEU N N 179 117.532 117.532 122.170 -4.638 18942 1700 1 2 . 1 1 179 179 LEU C C 179 178.646 178.646 178.000 0.646 18942 1701 1 2 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.811 -1.736 18942 1702 1 2 . 1 1 179 179 LEU CB C 179 41.784 41.784 41.788 -0.004 18942 1703 1 2 . 1 1 179 179 LEU H H 179 8.683 8.683 7.412 1.271 18942 1704 1 2 . 1 1 180 180 ALA N N 180 123.387 123.387 121.659 1.728 18942 1705 1 2 . 1 1 180 180 ALA C C 180 178.175 178.175 178.881 -0.706 18942 1706 1 2 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.510 1.447 18942 1707 1 2 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.579 1.742 18942 1708 1 2 . 1 1 180 180 ALA H H 180 7.627 7.627 8.990 -1.363 18942 1709 1 2 . 1 1 181 181 LEU N N 181 114.375 114.375 117.762 -3.387 18942 1710 1 2 . 1 1 181 181 LEU C C 181 178.681 178.681 178.763 -0.082 18942 1711 1 2 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.306 0.826 18942 1712 1 2 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.320 -0.182 18942 1713 1 2 . 1 1 181 181 LEU H H 181 7.638 7.638 7.140 0.498 18942 1714 1 2 . 1 1 182 182 VAL N N 182 113.683 113.683 118.552 -4.869 18942 1715 1 2 . 1 1 182 182 VAL C C 182 178.401 178.401 177.801 0.600 18942 1716 1 2 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.319 -1.144 18942 1717 1 2 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.386 0.589 18942 1718 1 2 . 1 1 182 182 VAL H H 182 7.448 7.448 7.490 -0.042 18942 1719 1 2 . 1 1 183 183 THR N N 183 116.081 116.081 117.562 -1.481 18942 1720 1 2 . 1 1 183 183 THR C C 183 176.701 176.701 176.782 -0.081 18942 1721 1 2 . 1 1 183 183 THR CA C 183 66.999 66.999 66.453 0.546 18942 1722 1 2 . 1 1 183 183 THR CB C 183 67.885 67.885 68.551 -0.666 18942 1723 1 2 . 1 1 183 183 THR H H 183 7.527 7.527 7.430 0.097 18942 1724 1 2 . 1 1 184 184 ILE N N 184 124.157 124.157 122.600 1.557 18942 1725 1 2 . 1 1 184 184 ILE C C 184 177.072 177.072 177.646 -0.574 18942 1726 1 2 . 1 1 184 184 ILE CA C 184 66.514 66.514 63.834 2.680 18942 1727 1 2 . 1 1 184 184 ILE CB C 184 38.229 38.229 37.005 1.224 18942 1728 1 2 . 1 1 184 184 ILE H H 184 8.406 8.406 8.151 0.255 18942 1729 1 2 . 1 1 185 185 VAL N N 185 115.165 115.165 119.830 -4.665 18942 1730 1 2 . 1 1 185 185 VAL C C 185 178.544 178.544 178.131 0.413 18942 1731 1 2 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.813 0.189 18942 1732 1 2 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.162 -0.156 18942 1733 1 2 . 1 1 185 185 VAL H H 185 7.429 7.429 7.530 -0.101 18942 1734 1 2 . 1 1 186 186 LYS N N 186 119.326 119.326 117.934 1.392 18942 1735 1 2 . 1 1 186 186 LYS C C 186 179.109 179.109 178.838 0.271 18942 1736 1 2 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.073 0.423 18942 1737 1 2 . 1 1 186 186 LYS CB C 186 32.866 32.866 31.801 1.065 18942 1738 1 2 . 1 1 186 186 LYS H H 186 7.659 7.659 7.861 -0.202 18942 1739 1 2 . 1 1 187 187 THR N N 187 116.582 116.582 115.793 0.789 18942 1740 1 2 . 1 1 187 187 THR C C 187 177.056 177.056 177.003 0.053 18942 1741 1 2 . 1 1 187 187 THR CA C 187 66.358 66.358 65.465 0.893 18942 1742 1 2 . 1 1 187 187 THR CB C 187 69.105 69.105 69.072 0.033 18942 1743 1 2 . 1 1 187 187 THR H H 187 8.377 8.377 7.563 0.814 18942 1744 1 2 . 1 1 188 188 LEU N N 188 121.469 121.469 122.031 -0.562 18942 1745 1 2 . 1 1 188 188 LEU C C 188 178.177 178.177 178.765 -0.588 18942 1746 1 2 . 1 1 188 188 LEU CA C 188 57.524 57.524 57.146 0.378 18942 1747 1 2 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.191 1.125 18942 1748 1 2 . 1 1 188 188 LEU H H 188 8.262 8.262 8.463 -0.201 18942 1749 1 2 . 1 1 189 189 GLY N N 189 104.655 104.655 105.790 -1.135 18942 1750 1 2 . 1 1 189 189 GLY C C 189 174.400 174.400 175.043 -0.643 18942 1751 1 2 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.371 0.596 18942 1752 1 2 . 1 1 189 189 GLY H H 189 7.898 7.898 7.882 0.016 18942 1753 1 2 . 1 1 190 190 GLU N N 190 119.430 119.430 120.501 -1.071 18942 1754 1 2 . 1 1 190 190 GLU C C 190 176.344 176.344 177.122 -0.778 18942 1755 1 2 . 1 1 190 190 GLU CA C 190 56.871 56.871 55.609 1.262 18942 1756 1 2 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.376 0.277 18942 1757 1 2 . 1 1 190 190 GLU H H 190 7.630 7.630 7.592 0.038 18942 1758 1 2 . 1 1 191 191 ARG N N 191 121.191 121.191 117.993 3.198 18942 1759 1 2 . 1 1 191 191 ARG C C 191 175.205 175.205 175.671 -0.466 18942 1760 1 2 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.737 -1.676 18942 1761 1 2 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.736 0.120 18942 1762 1 2 . 1 1 191 191 ARG H H 191 8.126 8.126 8.704 -0.578 18942 1763 1 3 . 1 1 2 2 THR N N 2 115.468 115.468 121.137 -5.669 18942 1764 1 3 . 1 1 2 2 THR C C 2 174.211 174.211 173.761 0.450 18942 1765 1 3 . 1 1 2 2 THR CA C 2 61.939 61.939 62.395 -0.456 18942 1766 1 3 . 1 1 2 2 THR CB C 2 70.018 70.018 68.001 2.017 18942 1767 1 3 . 1 1 2 2 THR H H 2 8.002 8.002 8.861 -0.859 18942 1768 1 3 . 1 1 3 3 GLN N N 3 122.804 122.804 125.123 -2.319 18942 1769 1 3 . 1 1 3 3 GLN C C 3 174.443 174.443 174.584 -0.141 18942 1770 1 3 . 1 1 3 3 GLN CA C 3 56.560 56.560 54.919 1.641 18942 1771 1 3 . 1 1 3 3 GLN CB C 3 30.049 30.049 27.680 2.369 18942 1772 1 3 . 1 1 3 3 GLN H H 3 8.225 8.225 8.078 0.147 18942 1773 1 3 . 1 1 4 4 LEU N N 4 120.941 120.941 120.602 0.339 18942 1774 1 3 . 1 1 4 4 LEU C C 4 174.867 174.867 175.008 -0.141 18942 1775 1 3 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.023 0.477 18942 1776 1 3 . 1 1 4 4 LEU CB C 4 47.427 47.427 44.955 2.472 18942 1777 1 3 . 1 1 4 4 LEU H H 4 6.832 6.832 7.706 -0.874 18942 1778 1 3 . 1 1 5 5 ASP N N 5 125.936 125.936 120.929 5.007 18942 1779 1 3 . 1 1 5 5 ASP C C 5 173.417 173.417 175.561 -2.144 18942 1780 1 3 . 1 1 5 5 ASP CA C 5 54.607 54.607 53.566 1.041 18942 1781 1 3 . 1 1 5 5 ASP CB C 5 42.393 42.393 43.033 -0.640 18942 1782 1 3 . 1 1 5 5 ASP H H 5 8.760 8.760 8.527 0.233 18942 1783 1 3 . 1 1 6 6 ILE N N 6 122.489 122.489 123.538 -1.049 18942 1784 1 3 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.748 0.370 18942 1785 1 3 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.720 -1.926 18942 1786 1 3 . 1 1 6 6 ILE H H 6 8.897 8.897 8.929 -0.032 18942 1787 1 3 . 1 1 7 7 VAL N N 7 124.979 124.979 125.063 -0.084 18942 1788 1 3 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.663 0.403 18942 1789 1 3 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.498 -1.336 18942 1790 1 3 . 1 1 7 7 VAL H H 7 9.009 9.009 8.550 0.459 18942 1791 1 3 . 1 1 8 8 ILE N N 8 127.861 127.861 129.236 -1.375 18942 1792 1 3 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.285 1.556 18942 1793 1 3 . 1 1 8 8 ILE CB C 8 38.016 38.016 37.549 0.467 18942 1794 1 3 . 1 1 8 8 ILE H H 8 8.758 8.758 9.124 -0.366 18942 1795 1 3 . 1 1 9 9 VAL N N 9 129.205 129.205 129.073 0.132 18942 1796 1 3 . 1 1 9 9 VAL C C 9 173.949 173.949 174.795 -0.846 18942 1797 1 3 . 1 1 9 9 VAL CA C 9 61.475 61.475 61.670 -0.195 18942 1798 1 3 . 1 1 9 9 VAL CB C 9 32.396 32.396 31.878 0.518 18942 1799 1 3 . 1 1 9 9 VAL H H 9 9.713 9.713 9.283 0.430 18942 1800 1 3 . 1 1 10 10 LEU N N 10 123.753 123.753 128.396 -4.643 18942 1801 1 3 . 1 1 10 10 LEU C C 10 174.175 174.175 175.566 -1.391 18942 1802 1 3 . 1 1 10 10 LEU CA C 10 53.726 53.726 53.103 0.623 18942 1803 1 3 . 1 1 10 10 LEU CB C 10 44.609 44.609 42.937 1.672 18942 1804 1 3 . 1 1 10 10 LEU H H 10 9.261 9.261 9.120 0.141 18942 1805 1 3 . 1 1 11 11 ASP N N 11 125.333 125.333 119.744 5.589 18942 1806 1 3 . 1 1 11 11 ASP C C 11 174.405 174.405 177.018 -2.613 18942 1807 1 3 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.925 0.628 18942 1808 1 3 . 1 1 11 11 ASP CB C 11 41.590 41.590 42.781 -1.191 18942 1809 1 3 . 1 1 11 11 ASP H H 11 7.867 7.867 8.313 -0.446 18942 1810 1 3 . 1 1 12 12 GLY N N 12 113.584 113.584 112.492 1.092 18942 1811 1 3 . 1 1 12 12 GLY C C 12 176.010 176.010 175.341 0.669 18942 1812 1 3 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.913 -0.199 18942 1813 1 3 . 1 1 12 12 GLY H H 12 8.825 8.825 8.732 0.093 18942 1814 1 3 . 1 1 13 13 SER N N 13 114.408 114.408 117.350 -2.942 18942 1815 1 3 . 1 1 13 13 SER C C 13 173.728 173.728 175.106 -1.378 18942 1816 1 3 . 1 1 13 13 SER CA C 13 58.607 58.607 61.049 -2.442 18942 1817 1 3 . 1 1 13 13 SER CB C 13 64.366 64.366 63.664 0.702 18942 1818 1 3 . 1 1 13 13 SER H H 13 8.668 8.668 8.457 0.211 18942 1819 1 3 . 1 1 14 14 ASN N N 14 117.122 117.122 121.246 -4.124 18942 1820 1 3 . 1 1 14 14 ASN C C 14 175.323 175.323 176.081 -0.758 18942 1821 1 3 . 1 1 14 14 ASN CA C 14 55.132 55.132 54.013 1.119 18942 1822 1 3 . 1 1 14 14 ASN CB C 14 37.735 37.735 39.009 -1.274 18942 1823 1 3 . 1 1 14 14 ASN H H 14 8.800 8.800 8.642 0.158 18942 1824 1 3 . 1 1 15 15 SER N N 15 109.840 109.840 114.516 -4.676 18942 1825 1 3 . 1 1 15 15 SER C C 15 175.252 175.252 174.694 0.558 18942 1826 1 3 . 1 1 15 15 SER CA C 15 60.352 60.352 59.141 1.211 18942 1827 1 3 . 1 1 15 15 SER CB C 15 62.281 62.281 63.715 -1.434 18942 1828 1 3 . 1 1 15 15 SER H H 15 8.949 8.949 8.268 0.681 18942 1829 1 3 . 1 1 16 16 ILE N N 16 125.955 125.955 120.849 5.106 18942 1830 1 3 . 1 1 16 16 ILE C C 16 175.772 175.772 176.553 -0.781 18942 1831 1 3 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.995 -1.576 18942 1832 1 3 . 1 1 16 16 ILE CB C 16 34.858 34.858 38.434 -3.576 18942 1833 1 3 . 1 1 16 16 ILE H H 16 7.463 7.463 7.498 -0.035 18942 1834 1 3 . 1 1 17 17 TYR N N 17 125.148 125.148 126.369 -1.221 18942 1835 1 3 . 1 1 17 17 TYR CA C 17 55.534 55.534 56.198 -0.664 18942 1836 1 3 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.801 4.832 18942 1837 1 3 . 1 1 17 17 TYR H H 17 8.097 8.097 8.411 -0.314 18942 1838 1 3 . 1 1 18 18 PRO C C 18 177.356 177.356 177.348 0.008 18942 1839 1 3 . 1 1 18 18 PRO CA C 18 62.705 62.705 62.526 0.179 18942 1840 1 3 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.622 0.348 18942 1841 1 3 . 1 1 19 19 TRP N N 19 125.777 125.777 125.233 0.544 18942 1842 1 3 . 1 1 19 19 TRP C C 19 177.067 177.067 177.467 -0.400 18942 1843 1 3 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.617 0.028 18942 1844 1 3 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.769 -0.079 18942 1845 1 3 . 1 1 19 19 TRP H H 19 9.064 9.064 8.939 0.125 18942 1846 1 3 . 1 1 20 20 ASP N N 20 112.639 112.639 120.553 -7.914 18942 1847 1 3 . 1 1 20 20 ASP C C 20 178.681 178.681 178.662 0.019 18942 1848 1 3 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.817 -1.603 18942 1849 1 3 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.391 -0.007 18942 1850 1 3 . 1 1 20 20 ASP H H 20 8.476 8.476 8.715 -0.239 18942 1851 1 3 . 1 1 21 21 SER N N 21 113.464 113.464 114.912 -1.448 18942 1852 1 3 . 1 1 21 21 SER C C 21 176.264 176.264 176.560 -0.296 18942 1853 1 3 . 1 1 21 21 SER CA C 21 61.853 61.853 61.941 -0.088 18942 1854 1 3 . 1 1 21 21 SER CB C 21 63.207 63.207 63.380 -0.173 18942 1855 1 3 . 1 1 21 21 SER H H 21 7.436 7.436 7.948 -0.512 18942 1856 1 3 . 1 1 22 22 VAL N N 22 123.136 123.136 122.025 1.111 18942 1857 1 3 . 1 1 22 22 VAL C C 22 177.581 177.581 176.738 0.843 18942 1858 1 3 . 1 1 22 22 VAL CA C 22 66.778 66.778 64.987 1.790 18942 1859 1 3 . 1 1 22 22 VAL CB C 22 30.884 30.884 31.437 -0.553 18942 1860 1 3 . 1 1 22 22 VAL H H 22 7.130 7.130 7.365 -0.235 18942 1861 1 3 . 1 1 23 23 THR N N 23 110.025 110.025 113.736 -3.711 18942 1862 1 3 . 1 1 23 23 THR C C 23 177.587 177.587 176.389 1.198 18942 1863 1 3 . 1 1 23 23 THR CA C 23 66.080 66.080 65.659 0.421 18942 1864 1 3 . 1 1 23 23 THR CB C 23 68.089 68.089 68.551 -0.462 18942 1865 1 3 . 1 1 23 23 THR H H 23 7.637 7.637 8.042 -0.405 18942 1866 1 3 . 1 1 24 24 ALA N N 24 123.457 123.457 124.388 -0.931 18942 1867 1 3 . 1 1 24 24 ALA C C 24 178.927 178.927 179.173 -0.246 18942 1868 1 3 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.832 0.632 18942 1869 1 3 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.015 0.476 18942 1870 1 3 . 1 1 24 24 ALA H H 24 7.768 7.768 7.976 -0.208 18942 1871 1 3 . 1 1 25 25 PHE N N 25 118.072 118.072 120.195 -2.123 18942 1872 1 3 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.425 -0.108 18942 1873 1 3 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.394 -0.456 18942 1874 1 3 . 1 1 25 25 PHE H H 25 7.064 7.064 7.726 -0.662 18942 1875 1 3 . 1 1 26 26 LEU N N 26 115.251 115.251 119.498 -4.247 18942 1876 1 3 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.986 -0.284 18942 1877 1 3 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.522 1.783 18942 1878 1 3 . 1 1 26 26 LEU H H 26 8.016 8.016 8.628 -0.612 18942 1879 1 3 . 1 1 27 27 ASN N N 27 114.759 114.759 118.908 -4.149 18942 1880 1 3 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.687 0.836 18942 1881 1 3 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.487 2.222 18942 1882 1 3 . 1 1 27 27 ASN H H 27 7.842 7.842 8.439 -0.597 18942 1883 1 3 . 1 1 28 28 ASP N N 28 116.899 116.899 119.885 -2.986 18942 1884 1 3 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.308 -0.699 18942 1885 1 3 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.825 -0.387 18942 1886 1 3 . 1 1 28 28 ASP H H 28 7.802 7.802 8.277 -0.475 18942 1887 1 3 . 1 1 29 29 LEU N N 29 118.230 118.230 122.674 -4.444 18942 1888 1 3 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.929 -0.105 18942 1889 1 3 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.844 0.169 18942 1890 1 3 . 1 1 29 29 LEU H H 29 7.970 7.970 8.067 -0.097 18942 1891 1 3 . 1 1 30 30 LEU N N 30 114.781 114.781 116.081 -1.300 18942 1892 1 3 . 1 1 30 30 LEU C C 30 178.917 178.917 178.540 0.377 18942 1893 1 3 . 1 1 30 30 LEU CA C 30 57.693 57.693 55.703 1.990 18942 1894 1 3 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.253 1.291 18942 1895 1 3 . 1 1 30 30 LEU H H 30 8.000 8.000 8.312 -0.312 18942 1896 1 3 . 1 1 31 31 GLU N N 31 113.705 113.705 118.777 -5.072 18942 1897 1 3 . 1 1 31 31 GLU C C 31 177.554 177.554 177.703 -0.149 18942 1898 1 3 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.105 0.340 18942 1899 1 3 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.827 -0.403 18942 1900 1 3 . 1 1 31 31 GLU H H 31 7.880 7.880 7.702 0.178 18942 1901 1 3 . 1 1 32 32 ARG N N 32 114.470 114.470 117.003 -2.533 18942 1902 1 3 . 1 1 32 32 ARG C C 32 175.851 175.851 177.122 -1.271 18942 1903 1 3 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.764 -1.215 18942 1904 1 3 . 1 1 32 32 ARG CB C 32 30.586 30.586 31.132 -0.546 18942 1905 1 3 . 1 1 32 32 ARG H H 32 7.014 7.014 7.435 -0.421 18942 1906 1 3 . 1 1 33 33 MET N N 33 116.853 116.853 120.333 -3.480 18942 1907 1 3 . 1 1 33 33 MET C C 33 174.809 174.809 175.025 -0.216 18942 1908 1 3 . 1 1 33 33 MET CA C 33 54.694 54.694 54.373 0.321 18942 1909 1 3 . 1 1 33 33 MET CB C 33 35.436 35.436 32.052 3.384 18942 1910 1 3 . 1 1 33 33 MET H H 33 7.528 7.528 7.946 -0.418 18942 1911 1 3 . 1 1 34 34 ASP N N 34 123.345 123.345 126.412 -3.067 18942 1912 1 3 . 1 1 34 34 ASP C C 34 173.878 173.878 175.529 -1.651 18942 1913 1 3 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.164 -0.992 18942 1914 1 3 . 1 1 34 34 ASP CB C 34 40.891 40.891 41.281 -0.390 18942 1915 1 3 . 1 1 34 34 ASP H H 34 8.784 8.784 8.653 0.131 18942 1916 1 3 . 1 1 35 35 ILE N N 35 123.293 123.293 125.791 -2.498 18942 1917 1 3 . 1 1 35 35 ILE C C 35 176.589 176.589 176.263 0.326 18942 1918 1 3 . 1 1 35 35 ILE CA C 35 58.830 58.830 59.382 -0.552 18942 1919 1 3 . 1 1 35 35 ILE CB C 35 38.073 38.073 36.244 1.829 18942 1920 1 3 . 1 1 35 35 ILE H H 35 7.188 7.188 7.922 -0.734 18942 1921 1 3 . 1 1 36 36 GLY N N 36 112.822 112.822 114.606 -1.784 18942 1922 1 3 . 1 1 36 36 GLY CA C 36 45.744 45.744 43.899 1.845 18942 1923 1 3 . 1 1 36 36 GLY H H 36 8.748 8.748 7.908 0.840 18942 1924 1 3 . 1 1 37 37 PRO C C 37 178.427 178.427 176.703 1.724 18942 1925 1 3 . 1 1 37 37 PRO CA C 37 64.849 64.849 63.664 1.185 18942 1926 1 3 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.487 -0.285 18942 1927 1 3 . 1 1 38 38 LYS N N 38 116.281 116.281 116.397 -0.116 18942 1928 1 3 . 1 1 38 38 LYS C C 38 176.306 176.306 174.806 1.500 18942 1929 1 3 . 1 1 38 38 LYS CA C 38 54.664 54.664 55.676 -1.012 18942 1930 1 3 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.170 0.475 18942 1931 1 3 . 1 1 38 38 LYS H H 38 8.262 8.262 8.211 0.051 18942 1932 1 3 . 1 1 39 39 GLN N N 39 121.587 121.587 116.526 5.061 18942 1933 1 3 . 1 1 39 39 GLN C C 39 176.105 176.105 175.287 0.818 18942 1934 1 3 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.882 0.566 18942 1935 1 3 . 1 1 39 39 GLN CB C 39 29.540 29.540 31.578 -2.038 18942 1936 1 3 . 1 1 39 39 GLN H H 39 7.680 7.680 7.700 -0.020 18942 1937 1 3 . 1 1 40 40 THR N N 40 124.944 124.944 110.568 14.376 18942 1938 1 3 . 1 1 40 40 THR C C 40 172.592 172.592 173.667 -1.075 18942 1939 1 3 . 1 1 40 40 THR CA C 40 63.650 63.650 63.063 0.587 18942 1940 1 3 . 1 1 40 40 THR CB C 40 69.597 69.597 67.978 1.619 18942 1941 1 3 . 1 1 40 40 THR H H 40 8.525 8.525 8.658 -0.133 18942 1942 1 3 . 1 1 41 41 GLN N N 41 122.782 122.782 118.702 4.080 18942 1943 1 3 . 1 1 41 41 GLN C C 41 174.312 174.312 174.122 0.190 18942 1944 1 3 . 1 1 41 41 GLN CA C 41 55.149 55.149 56.867 -1.718 18942 1945 1 3 . 1 1 41 41 GLN CB C 41 33.926 33.926 27.624 6.302 18942 1946 1 3 . 1 1 41 41 GLN H H 41 8.821 8.821 8.095 0.726 18942 1947 1 3 . 1 1 42 42 VAL N N 42 118.560 118.560 125.419 -6.859 18942 1948 1 3 . 1 1 42 42 VAL C C 42 173.505 173.505 176.471 -2.966 18942 1949 1 3 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.867 -0.862 18942 1950 1 3 . 1 1 42 42 VAL CB C 42 36.835 36.835 33.535 3.300 18942 1951 1 3 . 1 1 42 42 VAL H H 42 8.135 8.135 8.249 -0.114 18942 1952 1 3 . 1 1 43 43 GLY N N 43 110.800 110.800 115.430 -4.630 18942 1953 1 3 . 1 1 43 43 GLY C C 43 172.196 172.196 172.544 -0.348 18942 1954 1 3 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.379 -0.089 18942 1955 1 3 . 1 1 43 43 GLY H H 43 8.606 8.606 8.891 -0.285 18942 1956 1 3 . 1 1 44 44 ILE N N 44 115.225 115.225 122.631 -7.406 18942 1957 1 3 . 1 1 44 44 ILE C C 44 174.136 174.136 175.110 -0.974 18942 1958 1 3 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.852 -0.006 18942 1959 1 3 . 1 1 44 44 ILE CB C 44 41.252 41.252 40.557 0.695 18942 1960 1 3 . 1 1 44 44 ILE H H 44 7.361 7.361 8.447 -1.086 18942 1961 1 3 . 1 1 45 45 VAL N N 45 126.880 126.880 124.880 2.000 18942 1962 1 3 . 1 1 45 45 VAL C C 45 173.113 173.113 174.002 -0.889 18942 1963 1 3 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.411 -0.579 18942 1964 1 3 . 1 1 45 45 VAL CB C 45 35.735 35.735 36.256 -0.521 18942 1965 1 3 . 1 1 45 45 VAL H H 45 9.245 9.245 9.219 0.026 18942 1966 1 3 . 1 1 46 46 GLN N N 46 124.650 124.650 125.093 -0.443 18942 1967 1 3 . 1 1 46 46 GLN C C 46 173.879 173.879 174.245 -0.366 18942 1968 1 3 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.616 0.143 18942 1969 1 3 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.926 -0.441 18942 1970 1 3 . 1 1 46 46 GLN H H 46 9.333 9.333 9.167 0.166 18942 1971 1 3 . 1 1 47 47 TYR N N 47 123.588 123.588 124.274 -0.686 18942 1972 1 3 . 1 1 47 47 TYR C C 47 172.762 172.762 174.116 -1.354 18942 1973 1 3 . 1 1 47 47 TYR CA C 47 55.419 55.419 56.041 -0.622 18942 1974 1 3 . 1 1 47 47 TYR CB C 47 44.504 44.504 41.320 3.184 18942 1975 1 3 . 1 1 47 47 TYR H H 47 9.300 9.300 8.970 0.330 18942 1976 1 3 . 1 1 48 48 GLY N N 48 107.867 107.867 107.023 0.844 18942 1977 1 3 . 1 1 48 48 GLY C C 48 172.936 172.936 173.922 -0.986 18942 1978 1 3 . 1 1 48 48 GLY CA C 48 48.040 48.040 45.737 2.303 18942 1979 1 3 . 1 1 48 48 GLY H H 48 7.894 7.894 8.280 -0.386 18942 1980 1 3 . 1 1 49 49 GLU N N 49 127.160 127.160 120.468 6.692 18942 1981 1 3 . 1 1 49 49 GLU C C 49 174.960 174.960 176.245 -1.285 18942 1982 1 3 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.557 -0.303 18942 1983 1 3 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.827 1.116 18942 1984 1 3 . 1 1 49 49 GLU H H 49 9.355 9.355 8.702 0.653 18942 1985 1 3 . 1 1 50 50 ASN N N 50 112.730 112.730 114.289 -1.559 18942 1986 1 3 . 1 1 50 50 ASN C C 50 174.229 174.229 173.604 0.625 18942 1987 1 3 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.311 -1.505 18942 1988 1 3 . 1 1 50 50 ASN CB C 50 41.127 41.127 41.808 -0.681 18942 1989 1 3 . 1 1 50 50 ASN H H 50 7.494 7.494 7.774 -0.280 18942 1990 1 3 . 1 1 51 51 VAL N N 51 118.965 118.965 119.958 -0.993 18942 1991 1 3 . 1 1 51 51 VAL C C 51 174.904 174.904 175.660 -0.756 18942 1992 1 3 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.368 1.361 18942 1993 1 3 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.816 0.218 18942 1994 1 3 . 1 1 51 51 VAL H H 51 8.647 8.647 8.465 0.182 18942 1995 1 3 . 1 1 52 52 THR N N 52 122.865 122.865 119.987 2.878 18942 1996 1 3 . 1 1 52 52 THR C C 52 173.383 173.383 172.465 0.918 18942 1997 1 3 . 1 1 52 52 THR CA C 52 61.809 61.809 61.097 0.712 18942 1998 1 3 . 1 1 52 52 THR CB C 52 71.943 71.943 71.254 0.689 18942 1999 1 3 . 1 1 52 52 THR H H 52 9.183 9.183 9.309 -0.126 18942 2000 1 3 . 1 1 53 53 HIS N N 53 126.441 126.441 119.850 6.591 18942 2001 1 3 . 1 1 53 53 HIS C C 53 175.728 175.728 174.348 1.380 18942 2002 1 3 . 1 1 53 53 HIS CA C 53 57.162 57.162 55.155 2.007 18942 2003 1 3 . 1 1 53 53 HIS CB C 53 31.084 31.084 29.407 1.677 18942 2004 1 3 . 1 1 53 53 HIS H H 53 8.995 8.995 8.301 0.694 18942 2005 1 3 . 1 1 54 54 GLU N N 54 126.720 126.720 119.931 6.789 18942 2006 1 3 . 1 1 54 54 GLU C C 54 178.106 178.106 176.527 1.579 18942 2007 1 3 . 1 1 54 54 GLU CA C 54 57.886 57.886 57.984 -0.098 18942 2008 1 3 . 1 1 54 54 GLU CB C 54 28.570 28.570 29.884 -1.314 18942 2009 1 3 . 1 1 54 54 GLU H H 54 8.901 8.901 8.583 0.318 18942 2010 1 3 . 1 1 55 55 PHE N N 55 106.460 106.460 118.968 -12.508 18942 2011 1 3 . 1 1 55 55 PHE C C 55 174.320 174.320 174.792 -0.472 18942 2012 1 3 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.501 -0.457 18942 2013 1 3 . 1 1 55 55 PHE CB C 55 40.763 40.763 40.103 0.660 18942 2014 1 3 . 1 1 55 55 PHE H H 55 7.351 7.351 8.220 -0.869 18942 2015 1 3 . 1 1 56 56 ASN N N 56 119.296 119.296 120.493 -1.197 18942 2016 1 3 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.439 -0.360 18942 2017 1 3 . 1 1 56 56 ASN CB C 56 39.705 39.705 40.026 -0.321 18942 2018 1 3 . 1 1 56 56 ASN H H 56 8.378 8.378 8.837 -0.459 18942 2019 1 3 . 1 1 57 57 LEU C C 57 175.843 175.843 178.453 -2.610 18942 2020 1 3 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.172 1.326 18942 2021 1 3 . 1 1 57 57 LEU CB C 57 43.994 43.994 41.519 2.475 18942 2022 1 3 . 1 1 58 58 ASN N N 58 108.256 108.256 116.622 -8.366 18942 2023 1 3 . 1 1 58 58 ASN C C 58 177.051 177.051 176.181 0.870 18942 2024 1 3 . 1 1 58 58 ASN CA C 58 50.879 50.879 54.837 -3.958 18942 2025 1 3 . 1 1 58 58 ASN CB C 58 38.911 38.911 38.826 0.085 18942 2026 1 3 . 1 1 58 58 ASN H H 58 7.345 7.345 7.934 -0.589 18942 2027 1 3 . 1 1 59 59 LYS N N 59 121.550 121.550 118.909 2.641 18942 2028 1 3 . 1 1 59 59 LYS C C 59 176.380 176.380 176.712 -0.332 18942 2029 1 3 . 1 1 59 59 LYS CA C 59 59.241 59.241 55.371 3.870 18942 2030 1 3 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.854 0.009 18942 2031 1 3 . 1 1 59 59 LYS H H 59 7.793 7.793 7.655 0.138 18942 2032 1 3 . 1 1 60 60 TYR N N 60 115.388 115.388 117.533 -2.145 18942 2033 1 3 . 1 1 60 60 TYR C C 60 176.551 176.551 175.638 0.913 18942 2034 1 3 . 1 1 60 60 TYR CA C 60 56.785 56.785 56.977 -0.192 18942 2035 1 3 . 1 1 60 60 TYR CB C 60 40.587 40.587 38.316 2.271 18942 2036 1 3 . 1 1 60 60 TYR H H 60 8.838 8.838 7.960 0.878 18942 2037 1 3 . 1 1 61 61 SER N N 61 113.454 113.454 114.951 -1.497 18942 2038 1 3 . 1 1 61 61 SER C C 61 172.093 172.093 172.961 -0.868 18942 2039 1 3 . 1 1 61 61 SER CA C 61 57.686 57.686 58.452 -0.766 18942 2040 1 3 . 1 1 61 61 SER CB C 61 64.641 64.641 64.762 -0.121 18942 2041 1 3 . 1 1 61 61 SER H H 61 8.869 8.869 8.490 0.379 18942 2042 1 3 . 1 1 62 62 SER N N 62 110.923 110.923 112.839 -1.916 18942 2043 1 3 . 1 1 62 62 SER C C 62 174.355 174.355 174.475 -0.120 18942 2044 1 3 . 1 1 62 62 SER CA C 62 56.928 56.928 56.872 0.056 18942 2045 1 3 . 1 1 62 62 SER CB C 62 67.154 67.154 66.075 1.079 18942 2046 1 3 . 1 1 62 62 SER H H 62 7.236 7.236 7.521 -0.285 18942 2047 1 3 . 1 1 63 63 THR N N 63 120.405 120.405 117.376 3.029 18942 2048 1 3 . 1 1 63 63 THR C C 63 175.543 175.543 176.340 -0.797 18942 2049 1 3 . 1 1 63 63 THR CA C 63 69.245 69.245 67.213 2.032 18942 2050 1 3 . 1 1 63 63 THR CB C 63 67.203 67.203 68.825 -1.622 18942 2051 1 3 . 1 1 63 63 THR H H 63 9.263 9.263 8.793 0.470 18942 2052 1 3 . 1 1 64 64 GLU N N 64 119.002 119.002 120.654 -1.652 18942 2053 1 3 . 1 1 64 64 GLU C C 64 178.754 178.754 178.725 0.029 18942 2054 1 3 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.574 0.863 18942 2055 1 3 . 1 1 64 64 GLU CB C 64 29.466 29.466 28.940 0.526 18942 2056 1 3 . 1 1 64 64 GLU H H 64 8.873 8.873 8.636 0.237 18942 2057 1 3 . 1 1 65 65 GLU N N 65 114.467 114.467 119.273 -4.806 18942 2058 1 3 . 1 1 65 65 GLU CA C 65 59.051 59.051 58.922 0.128 18942 2059 1 3 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.483 1.855 18942 2060 1 3 . 1 1 65 65 GLU H H 65 7.299 7.299 8.018 -0.719 18942 2061 1 3 . 1 1 66 66 VAL N N 66 118.486 118.486 119.966 -1.480 18942 2062 1 3 . 1 1 66 66 VAL C C 66 176.723 176.723 177.952 -1.229 18942 2063 1 3 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.215 -0.197 18942 2064 1 3 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.697 -0.162 18942 2065 1 3 . 1 1 66 66 VAL H H 66 7.361 7.361 7.447 -0.086 18942 2066 1 3 . 1 1 67 67 LEU N N 67 119.314 119.314 120.996 -1.682 18942 2067 1 3 . 1 1 67 67 LEU C C 67 180.087 180.087 178.175 1.912 18942 2068 1 3 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.001 -0.001 18942 2069 1 3 . 1 1 67 67 LEU CB C 67 41.941 41.941 42.212 -0.271 18942 2070 1 3 . 1 1 67 67 LEU H H 67 8.154 8.154 7.691 0.463 18942 2071 1 3 . 1 1 68 68 VAL N N 68 117.110 117.110 116.806 0.304 18942 2072 1 3 . 1 1 68 68 VAL C C 68 179.736 179.736 178.280 1.456 18942 2073 1 3 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.716 0.477 18942 2074 1 3 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.934 0.262 18942 2075 1 3 . 1 1 68 68 VAL H H 68 7.110 7.110 7.934 -0.824 18942 2076 1 3 . 1 1 69 69 ALA N N 69 119.661 119.661 122.796 -3.135 18942 2077 1 3 . 1 1 69 69 ALA C C 69 181.653 181.653 178.572 3.081 18942 2078 1 3 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.737 0.343 18942 2079 1 3 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.265 2.815 18942 2080 1 3 . 1 1 69 69 ALA H H 69 6.970 6.970 8.059 -1.089 18942 2081 1 3 . 1 1 70 70 ALA N N 70 120.071 120.071 117.487 2.584 18942 2082 1 3 . 1 1 70 70 ALA C C 70 178.758 178.758 177.968 0.790 18942 2083 1 3 . 1 1 70 70 ALA CA C 70 55.103 55.103 54.223 0.880 18942 2084 1 3 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.486 -0.389 18942 2085 1 3 . 1 1 70 70 ALA H H 70 8.881 8.881 7.590 1.291 18942 2086 1 3 . 1 1 71 71 LYS N N 71 112.889 112.889 112.913 -0.024 18942 2087 1 3 . 1 1 71 71 LYS C C 71 177.551 177.551 177.145 0.406 18942 2088 1 3 . 1 1 71 71 LYS CA C 71 58.190 58.190 56.530 1.660 18942 2089 1 3 . 1 1 71 71 LYS CB C 71 32.837 32.837 33.225 -0.388 18942 2090 1 3 . 1 1 71 71 LYS H H 71 7.124 7.124 7.518 -0.394 18942 2091 1 3 . 1 1 72 72 LYS N N 72 114.633 114.633 119.913 -5.280 18942 2092 1 3 . 1 1 72 72 LYS C C 72 176.789 176.789 176.961 -0.172 18942 2093 1 3 . 1 1 72 72 LYS CA C 72 55.865 55.865 57.550 -1.685 18942 2094 1 3 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.490 -0.083 18942 2095 1 3 . 1 1 72 72 LYS H H 72 7.150 7.150 7.547 -0.397 18942 2096 1 3 . 1 1 73 73 ILE N N 73 120.045 120.045 121.950 -1.905 18942 2097 1 3 . 1 1 73 73 ILE C C 73 176.494 176.494 175.450 1.044 18942 2098 1 3 . 1 1 73 73 ILE CA C 73 63.029 63.029 62.456 0.573 18942 2099 1 3 . 1 1 73 73 ILE CB C 73 37.347 37.347 37.650 -0.303 18942 2100 1 3 . 1 1 73 73 ILE H H 73 7.164 7.164 7.747 -0.583 18942 2101 1 3 . 1 1 74 74 VAL N N 74 126.199 126.199 123.509 2.690 18942 2102 1 3 . 1 1 74 74 VAL C C 74 174.021 174.021 174.154 -0.133 18942 2103 1 3 . 1 1 74 74 VAL CA C 74 59.647 59.647 60.343 -0.696 18942 2104 1 3 . 1 1 74 74 VAL CB C 74 33.973 33.973 34.776 -0.803 18942 2105 1 3 . 1 1 74 74 VAL H H 74 8.174 8.174 8.163 0.011 18942 2106 1 3 . 1 1 75 75 GLN N N 75 123.009 123.009 120.153 2.856 18942 2107 1 3 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.690 0.788 18942 2108 1 3 . 1 1 75 75 GLN CB C 75 27.131 27.131 31.297 -4.166 18942 2109 1 3 . 1 1 75 75 GLN H H 75 7.569 7.569 7.635 -0.066 18942 2110 1 3 . 1 1 76 76 ARG N N 76 129.740 129.740 119.877 9.863 18942 2111 1 3 . 1 1 76 76 ARG C C 76 178.628 178.628 176.299 2.329 18942 2112 1 3 . 1 1 76 76 ARG CA C 76 57.917 57.917 55.915 2.002 18942 2113 1 3 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.925 -1.146 18942 2114 1 3 . 1 1 76 76 ARG H H 76 9.670 9.670 8.504 1.166 18942 2115 1 3 . 1 1 77 77 GLY N N 77 106.443 106.443 107.803 -1.360 18942 2116 1 3 . 1 1 77 77 GLY C C 77 174.221 174.221 173.860 0.361 18942 2117 1 3 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.251 0.665 18942 2118 1 3 . 1 1 77 77 GLY H H 77 7.360 7.360 7.916 -0.556 18942 2119 1 3 . 1 1 78 78 GLY N N 78 103.622 103.622 110.553 -6.931 18942 2120 1 3 . 1 1 78 78 GLY C C 78 172.710 172.710 173.462 -0.752 18942 2121 1 3 . 1 1 78 78 GLY CA C 78 46.986 46.986 44.359 2.627 18942 2122 1 3 . 1 1 78 78 GLY H H 78 7.851 7.851 8.491 -0.640 18942 2123 1 3 . 1 1 79 79 ARG N N 79 124.452 124.452 121.716 2.736 18942 2124 1 3 . 1 1 79 79 ARG C C 79 174.484 174.484 176.218 -1.734 18942 2125 1 3 . 1 1 79 79 ARG CA C 79 57.437 57.437 56.467 0.970 18942 2126 1 3 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.188 -0.850 18942 2127 1 3 . 1 1 79 79 ARG H H 79 9.952 9.952 9.125 0.827 18942 2128 1 3 . 1 1 80 80 GLN N N 80 113.887 113.887 116.322 -2.435 18942 2129 1 3 . 1 1 80 80 GLN C C 80 173.824 173.824 173.585 0.239 18942 2130 1 3 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.904 0.137 18942 2131 1 3 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.945 1.710 18942 2132 1 3 . 1 1 80 80 GLN H H 80 7.411 7.411 7.701 -0.290 18942 2133 1 3 . 1 1 81 81 THR N N 81 117.791 117.791 117.385 0.406 18942 2134 1 3 . 1 1 81 81 THR C C 81 175.393 175.393 172.809 2.584 18942 2135 1 3 . 1 1 81 81 THR CA C 81 62.222 62.222 61.967 0.255 18942 2136 1 3 . 1 1 81 81 THR CB C 81 71.140 71.140 70.304 0.836 18942 2137 1 3 . 1 1 81 81 THR H H 81 11.198 11.198 8.649 2.549 18942 2138 1 3 . 1 1 82 82 MET N N 82 128.338 128.338 125.677 2.661 18942 2139 1 3 . 1 1 82 82 MET C C 82 175.011 175.011 175.745 -0.734 18942 2140 1 3 . 1 1 82 82 MET CA C 82 52.078 52.078 54.415 -2.337 18942 2141 1 3 . 1 1 82 82 MET CB C 82 29.146 29.146 34.984 -5.838 18942 2142 1 3 . 1 1 82 82 MET H H 82 8.679 8.679 8.728 -0.049 18942 2143 1 3 . 1 1 83 83 THR N N 83 120.032 120.032 118.385 1.647 18942 2144 1 3 . 1 1 83 83 THR C C 83 175.014 175.014 175.742 -0.728 18942 2145 1 3 . 1 1 83 83 THR CA C 83 65.627 65.627 65.891 -0.264 18942 2146 1 3 . 1 1 83 83 THR CB C 83 69.254 69.254 68.939 0.315 18942 2147 1 3 . 1 1 83 83 THR H H 83 6.986 6.986 8.825 -1.839 18942 2148 1 3 . 1 1 84 84 ALA N N 84 126.207 126.207 123.726 2.481 18942 2149 1 3 . 1 1 84 84 ALA C C 84 179.500 179.500 179.117 0.383 18942 2150 1 3 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.621 1.448 18942 2151 1 3 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.160 -1.430 18942 2152 1 3 . 1 1 84 84 ALA H H 84 10.069 10.069 8.135 1.934 18942 2153 1 3 . 1 1 85 85 LEU N N 85 119.501 119.501 120.068 -0.567 18942 2154 1 3 . 1 1 85 85 LEU C C 85 181.098 181.098 178.699 2.399 18942 2155 1 3 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.331 0.575 18942 2156 1 3 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.504 0.265 18942 2157 1 3 . 1 1 85 85 LEU H H 85 8.166 8.166 7.414 0.752 18942 2158 1 3 . 1 1 86 86 GLY N N 86 110.546 110.546 107.687 2.859 18942 2159 1 3 . 1 1 86 86 GLY C C 86 174.135 174.135 176.129 -1.994 18942 2160 1 3 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.176 0.147 18942 2161 1 3 . 1 1 86 86 GLY H H 86 8.720 8.720 7.519 1.201 18942 2162 1 3 . 1 1 87 87 ILE N N 87 120.213 120.213 122.248 -2.035 18942 2163 1 3 . 1 1 87 87 ILE C C 87 177.503 177.503 177.243 0.260 18942 2164 1 3 . 1 1 87 87 ILE CA C 87 66.253 66.253 65.441 0.812 18942 2165 1 3 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.806 1.105 18942 2166 1 3 . 1 1 87 87 ILE H H 87 8.141 8.141 7.964 0.177 18942 2167 1 3 . 1 1 88 88 ASP N N 88 118.326 118.326 119.870 -1.544 18942 2168 1 3 . 1 1 88 88 ASP C C 88 178.751 178.751 178.595 0.156 18942 2169 1 3 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.694 -0.125 18942 2170 1 3 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.857 2.391 18942 2171 1 3 . 1 1 88 88 ASP H H 88 8.512 8.512 8.443 0.069 18942 2172 1 3 . 1 1 89 89 THR N N 89 112.028 112.028 116.225 -4.197 18942 2173 1 3 . 1 1 89 89 THR C C 89 176.400 176.400 176.216 0.184 18942 2174 1 3 . 1 1 89 89 THR CA C 89 68.345 68.345 65.795 2.550 18942 2175 1 3 . 1 1 89 89 THR CB C 89 67.082 67.082 68.997 -1.915 18942 2176 1 3 . 1 1 89 89 THR H H 89 8.470 8.470 8.087 0.383 18942 2177 1 3 . 1 1 90 90 ALA N N 90 124.209 124.209 124.960 -0.751 18942 2178 1 3 . 1 1 90 90 ALA C C 90 178.756 178.756 178.958 -0.202 18942 2179 1 3 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.312 0.704 18942 2180 1 3 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.491 0.518 18942 2181 1 3 . 1 1 90 90 ALA H H 90 8.159 8.159 8.045 0.114 18942 2182 1 3 . 1 1 91 91 ARG N N 91 116.481 116.481 116.220 0.261 18942 2183 1 3 . 1 1 91 91 ARG C C 91 177.990 177.990 177.959 0.031 18942 2184 1 3 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.796 1.933 18942 2185 1 3 . 1 1 91 91 ARG CB C 91 29.918 29.918 29.936 -0.018 18942 2186 1 3 . 1 1 91 91 ARG H H 91 8.479 8.479 8.049 0.430 18942 2187 1 3 . 1 1 92 92 LYS N N 92 113.675 113.675 116.698 -3.023 18942 2188 1 3 . 1 1 92 92 LYS C C 92 178.208 178.208 177.243 0.965 18942 2189 1 3 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.970 1.010 18942 2190 1 3 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.112 1.121 18942 2191 1 3 . 1 1 92 92 LYS H H 92 8.073 8.073 7.441 0.632 18942 2192 1 3 . 1 1 93 93 GLU N N 93 112.950 112.950 117.680 -4.730 18942 2193 1 3 . 1 1 93 93 GLU C C 93 178.160 178.160 177.501 0.659 18942 2194 1 3 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.749 -0.449 18942 2195 1 3 . 1 1 93 93 GLU CB C 93 33.059 33.059 31.366 1.692 18942 2196 1 3 . 1 1 93 93 GLU H H 93 8.678 8.678 8.126 0.552 18942 2197 1 3 . 1 1 94 94 ALA N N 94 119.150 119.150 123.999 -4.849 18942 2198 1 3 . 1 1 94 94 ALA C C 94 177.262 177.262 179.186 -1.924 18942 2199 1 3 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.504 0.607 18942 2200 1 3 . 1 1 94 94 ALA CB C 94 20.213 20.213 18.814 1.399 18942 2201 1 3 . 1 1 94 94 ALA H H 94 8.529 8.529 7.611 0.918 18942 2202 1 3 . 1 1 95 95 PHE N N 95 111.282 111.282 118.725 -7.443 18942 2203 1 3 . 1 1 95 95 PHE C C 95 175.308 175.308 174.638 0.670 18942 2204 1 3 . 1 1 95 95 PHE CA C 95 56.984 56.984 57.971 -0.987 18942 2205 1 3 . 1 1 95 95 PHE CB C 95 37.965 37.965 38.114 -0.149 18942 2206 1 3 . 1 1 95 95 PHE H H 95 6.981 6.981 8.175 -1.194 18942 2207 1 3 . 1 1 96 96 THR N N 96 106.274 106.274 110.980 -4.706 18942 2208 1 3 . 1 1 96 96 THR CA C 96 59.540 59.540 59.798 -0.258 18942 2209 1 3 . 1 1 96 96 THR CB C 96 71.910 71.910 72.398 -0.488 18942 2210 1 3 . 1 1 96 96 THR H H 96 6.842 6.842 7.483 -0.641 18942 2211 1 3 . 1 1 98 98 ALA C C 98 179.284 179.284 179.049 0.235 18942 2212 1 3 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.103 0.917 18942 2213 1 3 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.479 0.177 18942 2214 1 3 . 1 1 99 99 ARG N N 99 114.439 114.439 117.616 -3.177 18942 2215 1 3 . 1 1 99 99 ARG C C 99 174.052 174.052 175.690 -1.638 18942 2216 1 3 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.226 2.489 18942 2217 1 3 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.247 0.027 18942 2218 1 3 . 1 1 99 99 ARG H H 99 7.061 7.061 7.601 -0.540 18942 2219 1 3 . 1 1 100 100 GLY N N 100 101.608 101.608 105.551 -3.943 18942 2220 1 3 . 1 1 100 100 GLY C C 100 174.164 174.164 173.647 0.517 18942 2221 1 3 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.958 0.752 18942 2222 1 3 . 1 1 100 100 GLY H H 100 7.496 7.496 7.517 -0.021 18942 2223 1 3 . 1 1 101 101 ALA N N 101 123.007 123.007 122.674 0.333 18942 2224 1 3 . 1 1 101 101 ALA C C 101 177.955 177.955 177.009 0.946 18942 2225 1 3 . 1 1 101 101 ALA CA C 101 53.120 53.120 51.547 1.573 18942 2226 1 3 . 1 1 101 101 ALA CB C 101 18.525 18.525 19.935 -1.410 18942 2227 1 3 . 1 1 101 101 ALA H H 101 7.691 7.691 7.868 -0.177 18942 2228 1 3 . 1 1 102 102 ARG N N 102 124.837 124.837 123.402 1.435 18942 2229 1 3 . 1 1 102 102 ARG C C 102 176.459 176.459 176.202 0.257 18942 2230 1 3 . 1 1 102 102 ARG CA C 102 55.186 55.186 54.740 0.446 18942 2231 1 3 . 1 1 102 102 ARG CB C 102 32.273 32.273 30.916 1.357 18942 2232 1 3 . 1 1 102 102 ARG H H 102 9.456 9.456 9.168 0.288 18942 2233 1 3 . 1 1 103 103 ARG N N 103 123.729 123.729 123.400 0.329 18942 2234 1 3 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.235 1.558 18942 2235 1 3 . 1 1 103 103 ARG CB C 103 30.039 30.039 30.708 -0.669 18942 2236 1 3 . 1 1 103 103 ARG H H 103 8.520 8.520 8.505 0.015 18942 2237 1 3 . 1 1 104 104 GLY N N 104 108.061 108.061 110.567 -2.506 18942 2238 1 3 . 1 1 104 104 GLY CA C 104 45.909 45.909 45.118 0.791 18942 2239 1 3 . 1 1 104 104 GLY H H 104 8.345 8.345 8.810 -0.465 18942 2240 1 3 . 1 1 105 105 VAL N N 105 118.807 118.807 119.229 -0.422 18942 2241 1 3 . 1 1 105 105 VAL C C 105 176.102 176.102 175.058 1.044 18942 2242 1 3 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.714 1.091 18942 2243 1 3 . 1 1 105 105 VAL CB C 105 31.820 31.820 33.252 -1.432 18942 2244 1 3 . 1 1 105 105 VAL H H 105 7.298 7.298 7.663 -0.365 18942 2245 1 3 . 1 1 106 106 LYS N N 106 127.841 127.841 122.306 5.535 18942 2246 1 3 . 1 1 106 106 LYS C C 106 174.143 174.143 175.775 -1.632 18942 2247 1 3 . 1 1 106 106 LYS CA C 106 57.647 57.647 55.764 1.883 18942 2248 1 3 . 1 1 106 106 LYS CB C 106 33.387 33.387 32.085 1.302 18942 2249 1 3 . 1 1 106 106 LYS H H 106 8.288 8.288 8.650 -0.362 18942 2250 1 3 . 1 1 107 107 LYS N N 107 122.939 122.939 122.946 -0.007 18942 2251 1 3 . 1 1 107 107 LYS C C 107 176.540 176.540 174.719 1.821 18942 2252 1 3 . 1 1 107 107 LYS CA C 107 55.587 55.587 54.956 0.631 18942 2253 1 3 . 1 1 107 107 LYS CB C 107 35.607 35.607 34.571 1.036 18942 2254 1 3 . 1 1 107 107 LYS H H 107 8.401 8.401 8.625 -0.224 18942 2255 1 3 . 1 1 108 108 VAL N N 108 122.376 122.376 125.358 -2.982 18942 2256 1 3 . 1 1 108 108 VAL C C 108 174.507 174.507 174.621 -0.114 18942 2257 1 3 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.580 -0.569 18942 2258 1 3 . 1 1 108 108 VAL CB C 108 36.923 36.923 35.505 1.418 18942 2259 1 3 . 1 1 108 108 VAL H H 108 8.940 8.940 8.954 -0.014 18942 2260 1 3 . 1 1 109 109 MET N N 109 124.377 124.377 125.771 -1.394 18942 2261 1 3 . 1 1 109 109 MET C C 109 175.232 175.232 174.930 0.302 18942 2262 1 3 . 1 1 109 109 MET CA C 109 54.123 54.123 54.670 -0.547 18942 2263 1 3 . 1 1 109 109 MET CB C 109 39.360 39.360 35.089 4.271 18942 2264 1 3 . 1 1 109 109 MET H H 109 9.599 9.599 9.291 0.308 18942 2265 1 3 . 1 1 110 110 VAL N N 110 123.296 123.296 125.289 -1.993 18942 2266 1 3 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.859 -0.661 18942 2267 1 3 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.098 1.077 18942 2268 1 3 . 1 1 110 110 VAL H H 110 8.484 8.484 9.310 -0.826 18942 2269 1 3 . 1 1 111 111 ILE N N 111 128.689 128.689 127.915 0.774 18942 2270 1 3 . 1 1 111 111 ILE C C 111 173.965 173.965 174.997 -1.032 18942 2271 1 3 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.692 1.645 18942 2272 1 3 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.690 -0.401 18942 2273 1 3 . 1 1 111 111 ILE H H 111 9.330 9.330 9.429 -0.099 18942 2274 1 3 . 1 1 112 112 VAL N N 112 127.498 127.498 127.549 -0.051 18942 2275 1 3 . 1 1 112 112 VAL C C 112 174.932 174.932 175.677 -0.745 18942 2276 1 3 . 1 1 112 112 VAL CA C 112 60.642 60.642 61.956 -1.314 18942 2277 1 3 . 1 1 112 112 VAL CB C 112 33.190 33.190 33.188 0.002 18942 2278 1 3 . 1 1 112 112 VAL H H 112 8.376 8.376 8.444 -0.068 18942 2279 1 3 . 1 1 113 113 THR N N 113 116.756 116.756 125.418 -8.662 18942 2280 1 3 . 1 1 113 113 THR C C 113 170.881 170.881 173.616 -2.735 18942 2281 1 3 . 1 1 113 113 THR CA C 113 60.693 60.693 62.806 -2.113 18942 2282 1 3 . 1 1 113 113 THR CB C 113 67.772 67.772 69.070 -1.298 18942 2283 1 3 . 1 1 113 113 THR H H 113 8.521 8.521 8.973 -0.452 18942 2284 1 3 . 1 1 114 114 ASP N N 114 122.719 122.719 126.914 -4.195 18942 2285 1 3 . 1 1 114 114 ASP C C 114 177.015 177.015 176.568 0.447 18942 2286 1 3 . 1 1 114 114 ASP CA C 114 54.041 54.041 55.396 -1.355 18942 2287 1 3 . 1 1 114 114 ASP CB C 114 42.671 42.671 41.499 1.172 18942 2288 1 3 . 1 1 114 114 ASP H H 114 7.341 7.341 8.297 -0.956 18942 2289 1 3 . 1 1 115 115 GLY N N 115 103.370 103.370 105.523 -2.153 18942 2290 1 3 . 1 1 115 115 GLY C C 115 171.751 171.751 172.575 -0.824 18942 2291 1 3 . 1 1 115 115 GLY CA C 115 46.670 46.670 44.836 1.835 18942 2292 1 3 . 1 1 115 115 GLY H H 115 7.312 7.312 8.224 -0.912 18942 2293 1 3 . 1 1 116 116 GLU N N 116 120.631 120.631 119.351 1.280 18942 2294 1 3 . 1 1 116 116 GLU C C 116 175.037 175.037 174.842 0.195 18942 2295 1 3 . 1 1 116 116 GLU CA C 116 54.252 54.252 55.489 -1.237 18942 2296 1 3 . 1 1 116 116 GLU CB C 116 27.313 27.313 33.193 -5.880 18942 2297 1 3 . 1 1 116 116 GLU H H 116 7.332 7.332 8.181 -0.849 18942 2298 1 3 . 1 1 117 117 SER N N 117 116.730 116.730 120.442 -3.712 18942 2299 1 3 . 1 1 117 117 SER C C 117 176.356 176.356 174.069 2.287 18942 2300 1 3 . 1 1 117 117 SER CA C 117 57.832 57.832 57.728 0.104 18942 2301 1 3 . 1 1 117 117 SER CB C 117 66.407 66.407 63.041 3.366 18942 2302 1 3 . 1 1 117 117 SER H H 117 7.964 7.964 8.641 -0.677 18942 2303 1 3 . 1 1 118 118 HIS N N 118 115.543 115.543 121.023 -5.480 18942 2304 1 3 . 1 1 118 118 HIS C C 118 176.602 176.602 175.328 1.274 18942 2305 1 3 . 1 1 118 118 HIS CA C 118 59.291 59.291 59.063 0.228 18942 2306 1 3 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.233 2.586 18942 2307 1 3 . 1 1 118 118 HIS H H 118 9.274 9.274 9.511 -0.237 18942 2308 1 3 . 1 1 119 119 ASP N N 119 120.197 120.197 115.477 4.720 18942 2309 1 3 . 1 1 119 119 ASP CA C 119 52.565 52.565 53.134 -0.569 18942 2310 1 3 . 1 1 119 119 ASP CB C 119 40.309 40.309 44.142 -3.833 18942 2311 1 3 . 1 1 119 119 ASP H H 119 8.160 8.160 8.049 0.111 18942 2312 1 3 . 1 1 120 120 ASN CA C 120 56.154 56.154 52.916 3.238 18942 2313 1 3 . 1 1 120 120 ASN CB C 120 38.139 38.139 39.156 -1.017 18942 2314 1 3 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.758 -2.287 18942 2315 1 3 . 1 1 121 121 HIS CB C 121 29.510 29.510 30.223 -0.713 18942 2316 1 3 . 1 1 122 122 ARG N N 122 117.636 117.636 120.301 -2.665 18942 2317 1 3 . 1 1 122 122 ARG CA C 122 55.611 55.611 59.557 -3.946 18942 2318 1 3 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.034 1.752 18942 2319 1 3 . 1 1 122 122 ARG H H 122 7.299 7.299 8.834 -1.535 18942 2320 1 3 . 1 1 123 123 LEU N N 123 119.507 119.507 121.037 -1.530 18942 2321 1 3 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.071 0.401 18942 2322 1 3 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.316 0.860 18942 2323 1 3 . 1 1 123 123 LEU H H 123 7.065 7.065 8.232 -1.167 18942 2324 1 3 . 1 1 124 124 LYS N N 124 116.723 116.723 117.280 -0.557 18942 2325 1 3 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.118 1.355 18942 2326 1 3 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.674 0.202 18942 2327 1 3 . 1 1 124 124 LYS H H 124 8.426 8.426 7.787 0.639 18942 2328 1 3 . 1 1 125 125 LYS N N 125 119.329 119.329 120.089 -0.760 18942 2329 1 3 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.351 0.001 18942 2330 1 3 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.081 -0.597 18942 2331 1 3 . 1 1 125 125 LYS H H 125 7.746 7.746 7.395 0.351 18942 2332 1 3 . 1 1 126 126 VAL N N 126 117.688 117.688 120.934 -3.246 18942 2333 1 3 . 1 1 126 126 VAL C C 126 178.187 178.187 178.359 -0.172 18942 2334 1 3 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.798 -0.656 18942 2335 1 3 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.734 0.242 18942 2336 1 3 . 1 1 126 126 VAL H H 126 7.450 7.450 8.244 -0.794 18942 2337 1 3 . 1 1 127 127 ILE N N 127 120.125 120.125 119.307 0.818 18942 2338 1 3 . 1 1 127 127 ILE C C 127 178.008 178.008 177.866 0.142 18942 2339 1 3 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.184 -0.901 18942 2340 1 3 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.100 -1.731 18942 2341 1 3 . 1 1 127 127 ILE H H 127 8.653 8.653 8.486 0.167 18942 2342 1 3 . 1 1 128 128 GLN N N 128 121.110 121.110 120.135 0.975 18942 2343 1 3 . 1 1 128 128 GLN C C 128 178.258 178.258 178.165 0.093 18942 2344 1 3 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.571 -0.774 18942 2345 1 3 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.311 -0.806 18942 2346 1 3 . 1 1 128 128 GLN H H 128 8.009 8.009 7.892 0.117 18942 2347 1 3 . 1 1 129 129 ASP N N 129 119.024 119.024 120.632 -1.608 18942 2348 1 3 . 1 1 129 129 ASP C C 129 179.705 179.705 178.615 1.090 18942 2349 1 3 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.167 0.895 18942 2350 1 3 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.321 -0.544 18942 2351 1 3 . 1 1 129 129 ASP H H 129 8.428 8.428 8.188 0.240 18942 2352 1 3 . 1 1 130 130 CYS N N 130 115.536 115.536 118.804 -3.268 18942 2353 1 3 . 1 1 130 130 CYS C C 130 176.824 176.824 176.601 0.223 18942 2354 1 3 . 1 1 130 130 CYS CA C 130 64.211 64.211 63.519 0.692 18942 2355 1 3 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.030 0.740 18942 2356 1 3 . 1 1 130 130 CYS H H 130 7.608 7.608 8.540 -0.932 18942 2357 1 3 . 1 1 131 131 GLU N N 131 123.098 123.098 120.647 2.451 18942 2358 1 3 . 1 1 131 131 GLU C C 131 180.904 180.904 177.972 2.932 18942 2359 1 3 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.078 -0.069 18942 2360 1 3 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.378 0.040 18942 2361 1 3 . 1 1 131 131 GLU H H 131 8.538 8.538 8.278 0.260 18942 2362 1 3 . 1 1 132 132 ASP N N 132 121.058 121.058 119.445 1.613 18942 2363 1 3 . 1 1 132 132 ASP C C 132 177.666 177.666 178.091 -0.425 18942 2364 1 3 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.565 0.437 18942 2365 1 3 . 1 1 132 132 ASP CB C 132 40.439 40.439 40.957 -0.518 18942 2366 1 3 . 1 1 132 132 ASP H H 132 8.844 8.844 7.751 1.093 18942 2367 1 3 . 1 1 133 133 GLU N N 133 116.312 116.312 117.334 -1.022 18942 2368 1 3 . 1 1 133 133 GLU C C 133 174.841 174.841 176.567 -1.726 18942 2369 1 3 . 1 1 133 133 GLU CA C 133 56.298 56.298 57.513 -1.214 18942 2370 1 3 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.769 -0.503 18942 2371 1 3 . 1 1 133 133 GLU H H 133 6.997 6.997 8.316 -1.319 18942 2372 1 3 . 1 1 134 134 ASN N N 134 113.879 113.879 113.993 -0.114 18942 2373 1 3 . 1 1 134 134 ASN C C 134 174.994 174.994 174.072 0.922 18942 2374 1 3 . 1 1 134 134 ASN CA C 134 54.449 54.449 53.917 0.532 18942 2375 1 3 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.717 0.430 18942 2376 1 3 . 1 1 134 134 ASN H H 134 8.069 8.069 8.199 -0.130 18942 2377 1 3 . 1 1 135 135 ILE N N 135 118.502 118.502 119.800 -1.298 18942 2378 1 3 . 1 1 135 135 ILE C C 135 175.226 175.226 175.649 -0.423 18942 2379 1 3 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.600 -0.314 18942 2380 1 3 . 1 1 135 135 ILE CB C 135 39.056 39.056 38.805 0.251 18942 2381 1 3 . 1 1 135 135 ILE H H 135 7.583 7.583 8.243 -0.660 18942 2382 1 3 . 1 1 136 136 GLN N N 136 131.359 131.359 125.022 6.337 18942 2383 1 3 . 1 1 136 136 GLN C C 136 174.743 174.743 174.942 -0.199 18942 2384 1 3 . 1 1 136 136 GLN CA C 136 56.088 56.088 54.549 1.539 18942 2385 1 3 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.831 0.554 18942 2386 1 3 . 1 1 136 136 GLN H H 136 7.950 7.950 8.295 -0.345 18942 2387 1 3 . 1 1 137 137 ARG N N 137 124.191 124.191 123.743 0.448 18942 2388 1 3 . 1 1 137 137 ARG C C 137 175.598 175.598 175.859 -0.261 18942 2389 1 3 . 1 1 137 137 ARG CA C 137 54.853 54.853 55.117 -0.264 18942 2390 1 3 . 1 1 137 137 ARG CB C 137 31.120 31.120 31.772 -0.652 18942 2391 1 3 . 1 1 137 137 ARG H H 137 9.182 9.182 8.153 1.029 18942 2392 1 3 . 1 1 138 138 PHE N N 138 121.323 121.323 125.364 -4.041 18942 2393 1 3 . 1 1 138 138 PHE C C 138 175.241 175.241 174.957 0.284 18942 2394 1 3 . 1 1 138 138 PHE CA C 138 56.641 56.641 57.203 -0.562 18942 2395 1 3 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.177 0.217 18942 2396 1 3 . 1 1 138 138 PHE H H 138 9.214 9.214 9.148 0.066 18942 2397 1 3 . 1 1 139 139 SER N N 139 118.044 118.044 121.390 -3.346 18942 2398 1 3 . 1 1 139 139 SER C C 139 171.137 171.137 173.610 -2.473 18942 2399 1 3 . 1 1 139 139 SER CA C 139 55.777 55.777 58.383 -2.606 18942 2400 1 3 . 1 1 139 139 SER CB C 139 66.783 66.783 63.948 2.835 18942 2401 1 3 . 1 1 139 139 SER H H 139 9.601 9.601 8.611 0.990 18942 2402 1 3 . 1 1 140 140 ILE N N 140 123.236 123.236 126.447 -3.211 18942 2403 1 3 . 1 1 140 140 ILE C C 140 174.822 174.822 174.849 -0.027 18942 2404 1 3 . 1 1 140 140 ILE CA C 140 56.556 56.556 57.780 -1.224 18942 2405 1 3 . 1 1 140 140 ILE CB C 140 37.629 37.629 37.095 0.534 18942 2406 1 3 . 1 1 140 140 ILE H H 140 9.066 9.066 9.050 0.016 18942 2407 1 3 . 1 1 141 141 ALA N N 141 125.375 125.375 131.318 -5.943 18942 2408 1 3 . 1 1 141 141 ALA C C 141 177.131 177.131 175.324 1.807 18942 2409 1 3 . 1 1 141 141 ALA CA C 141 51.117 51.117 50.978 0.139 18942 2410 1 3 . 1 1 141 141 ALA CB C 141 21.403 21.403 20.572 0.831 18942 2411 1 3 . 1 1 141 141 ALA H H 141 8.790 8.790 8.676 0.114 18942 2412 1 3 . 1 1 142 142 ILE N N 142 123.744 123.744 123.886 -0.142 18942 2413 1 3 . 1 1 142 142 ILE C C 142 174.758 174.758 173.943 0.815 18942 2414 1 3 . 1 1 142 142 ILE CA C 142 58.193 58.193 60.378 -2.185 18942 2415 1 3 . 1 1 142 142 ILE CB C 142 39.082 39.082 41.554 -2.472 18942 2416 1 3 . 1 1 142 142 ILE H H 142 7.973 7.973 7.582 0.391 18942 2417 1 3 . 1 1 143 143 LEU N N 143 123.041 123.041 122.551 0.490 18942 2418 1 3 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.032 1.940 18942 2419 1 3 . 1 1 143 143 LEU CB C 143 43.790 43.790 44.060 -0.270 18942 2420 1 3 . 1 1 143 143 LEU H H 143 8.019 8.019 7.942 0.077 18942 2421 1 3 . 1 1 144 144 GLY N N 144 108.993 108.993 106.917 2.076 18942 2422 1 3 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.373 1.866 18942 2423 1 3 . 1 1 144 144 GLY H H 144 8.581 8.581 8.442 0.139 18942 2424 1 3 . 1 1 145 145 SER N N 145 114.953 114.953 116.605 -1.652 18942 2425 1 3 . 1 1 145 145 SER CA C 145 58.614 58.614 60.120 -1.506 18942 2426 1 3 . 1 1 145 145 SER CB C 145 63.966 63.966 64.224 -0.258 18942 2427 1 3 . 1 1 145 145 SER H H 145 8.589 8.589 7.703 0.886 18942 2428 1 3 . 1 1 146 146 TYR N N 146 117.249 117.249 122.182 -4.933 18942 2429 1 3 . 1 1 146 146 TYR CA C 146 56.684 56.684 56.642 0.042 18942 2430 1 3 . 1 1 146 146 TYR CB C 146 39.174 39.174 36.895 2.279 18942 2431 1 3 . 1 1 146 146 TYR H H 146 7.476 7.476 8.126 -0.650 18942 2432 1 3 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.660 0.226 18942 2433 1 3 . 1 1 147 147 ASN CB C 147 38.657 38.657 39.153 -0.496 18942 2434 1 3 . 1 1 148 148 ARG N N 148 123.288 123.288 125.376 -2.088 18942 2435 1 3 . 1 1 148 148 ARG CA C 148 55.535 55.535 56.559 -1.024 18942 2436 1 3 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.574 0.190 18942 2437 1 3 . 1 1 148 148 ARG H H 148 8.404 8.404 8.709 -0.305 18942 2438 1 3 . 1 1 149 149 GLY N N 149 107.339 107.339 108.538 -1.199 18942 2439 1 3 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.356 1.573 18942 2440 1 3 . 1 1 149 149 GLY H H 149 8.224 8.224 8.151 0.073 18942 2441 1 3 . 1 1 150 150 ASN N N 150 119.090 119.090 121.459 -2.369 18942 2442 1 3 . 1 1 150 150 ASN C C 150 175.341 175.341 176.003 -0.662 18942 2443 1 3 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.771 0.616 18942 2444 1 3 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.865 0.841 18942 2445 1 3 . 1 1 150 150 ASN H H 150 8.309 8.309 8.636 -0.327 18942 2446 1 3 . 1 1 151 151 LEU N N 151 121.177 121.177 122.913 -1.736 18942 2447 1 3 . 1 1 151 151 LEU C C 151 177.527 177.527 176.711 0.816 18942 2448 1 3 . 1 1 151 151 LEU CA C 151 55.737 55.737 55.837 -0.100 18942 2449 1 3 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.152 0.521 18942 2450 1 3 . 1 1 151 151 LEU H H 151 7.929 7.929 7.700 0.229 18942 2451 1 3 . 1 1 152 152 SER N N 152 115.325 115.325 109.923 5.402 18942 2452 1 3 . 1 1 152 152 SER C C 152 175.354 175.354 174.945 0.409 18942 2453 1 3 . 1 1 152 152 SER CA C 152 57.739 57.739 58.378 -0.639 18942 2454 1 3 . 1 1 152 152 SER CB C 152 63.247 63.247 61.661 1.585 18942 2455 1 3 . 1 1 152 152 SER H H 152 8.185 8.185 8.107 0.078 18942 2456 1 3 . 1 1 153 153 THR N N 153 115.287 115.287 112.316 2.971 18942 2457 1 3 . 1 1 153 153 THR C C 153 175.758 175.758 175.587 0.171 18942 2458 1 3 . 1 1 153 153 THR CA C 153 63.577 63.577 64.678 -1.101 18942 2459 1 3 . 1 1 153 153 THR CB C 153 69.280 69.280 68.716 0.564 18942 2460 1 3 . 1 1 153 153 THR H H 153 8.134 8.134 8.346 -0.212 18942 2461 1 3 . 1 1 154 154 GLU N N 154 121.501 121.501 120.175 1.326 18942 2462 1 3 . 1 1 154 154 GLU C C 154 178.589 178.589 178.765 -0.176 18942 2463 1 3 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.606 1.372 18942 2464 1 3 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.663 0.685 18942 2465 1 3 . 1 1 154 154 GLU H H 154 8.342 8.342 8.545 -0.203 18942 2466 1 3 . 1 1 155 155 LYS N N 155 117.473 117.473 120.476 -3.003 18942 2467 1 3 . 1 1 155 155 LYS C C 155 179.039 179.039 179.104 -0.065 18942 2468 1 3 . 1 1 155 155 LYS CA C 155 58.776 58.776 58.162 0.614 18942 2469 1 3 . 1 1 155 155 LYS CB C 155 31.843 31.843 32.044 -0.201 18942 2470 1 3 . 1 1 155 155 LYS H H 155 7.752 7.752 7.675 0.077 18942 2471 1 3 . 1 1 156 156 PHE N N 156 120.254 120.254 117.452 2.802 18942 2472 1 3 . 1 1 156 156 PHE C C 156 178.765 178.765 178.175 0.590 18942 2473 1 3 . 1 1 156 156 PHE CA C 156 57.339 57.339 58.664 -1.325 18942 2474 1 3 . 1 1 156 156 PHE CB C 156 37.037 37.037 38.251 -1.214 18942 2475 1 3 . 1 1 156 156 PHE H H 156 7.072 7.072 7.420 -0.348 18942 2476 1 3 . 1 1 157 157 VAL N N 157 118.268 118.268 119.371 -1.103 18942 2477 1 3 . 1 1 157 157 VAL C C 157 177.861 177.861 177.856 0.005 18942 2478 1 3 . 1 1 157 157 VAL CA C 157 67.455 67.455 66.417 1.038 18942 2479 1 3 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.876 -0.013 18942 2480 1 3 . 1 1 157 157 VAL H H 157 8.007 8.007 7.589 0.418 18942 2481 1 3 . 1 1 158 158 GLU N N 158 117.100 117.100 120.884 -3.784 18942 2482 1 3 . 1 1 158 158 GLU C C 158 179.377 179.377 178.185 1.192 18942 2483 1 3 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.516 -0.025 18942 2484 1 3 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.657 0.689 18942 2485 1 3 . 1 1 158 158 GLU H H 158 7.875 7.875 8.254 -0.379 18942 2486 1 3 . 1 1 159 159 GLU N N 159 119.959 119.959 116.879 3.080 18942 2487 1 3 . 1 1 159 159 GLU C C 159 179.622 179.622 177.198 2.424 18942 2488 1 3 . 1 1 159 159 GLU CA C 159 60.351 60.351 57.884 2.467 18942 2489 1 3 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.723 -0.364 18942 2490 1 3 . 1 1 159 159 GLU H H 159 7.746 7.746 7.682 0.064 18942 2491 1 3 . 1 1 160 160 ILE N N 160 119.530 119.530 115.940 3.590 18942 2492 1 3 . 1 1 160 160 ILE C C 160 180.262 180.262 176.798 3.464 18942 2493 1 3 . 1 1 160 160 ILE CA C 160 66.305 66.305 61.717 4.588 18942 2494 1 3 . 1 1 160 160 ILE CB C 160 39.319 39.319 39.652 -0.333 18942 2495 1 3 . 1 1 160 160 ILE H H 160 8.094 8.094 7.847 0.247 18942 2496 1 3 . 1 1 161 161 LYS N N 161 121.437 121.437 122.820 -1.383 18942 2497 1 3 . 1 1 161 161 LYS C C 161 178.518 178.518 178.053 0.465 18942 2498 1 3 . 1 1 161 161 LYS CA C 161 60.656 60.656 60.254 0.402 18942 2499 1 3 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.652 0.949 18942 2500 1 3 . 1 1 161 161 LYS H H 161 8.500 8.500 8.202 0.298 18942 2501 1 3 . 1 1 162 162 SER N N 162 113.380 113.380 114.109 -0.729 18942 2502 1 3 . 1 1 162 162 SER C C 162 174.773 174.773 174.781 -0.008 18942 2503 1 3 . 1 1 162 162 SER CA C 162 61.208 61.208 59.858 1.349 18942 2504 1 3 . 1 1 162 162 SER CB C 162 62.725 62.725 62.712 0.013 18942 2505 1 3 . 1 1 162 162 SER H H 162 7.653 7.653 7.688 -0.035 18942 2506 1 3 . 1 1 163 163 ILE N N 163 121.115 121.115 120.734 0.381 18942 2507 1 3 . 1 1 163 163 ILE C C 163 175.371 175.371 175.401 -0.030 18942 2508 1 3 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.241 -0.387 18942 2509 1 3 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.168 1.469 18942 2510 1 3 . 1 1 163 163 ILE H H 163 7.068 7.068 7.221 -0.153 18942 2511 1 3 . 1 1 164 164 ALA N N 164 120.332 120.332 121.043 -0.711 18942 2512 1 3 . 1 1 164 164 ALA C C 164 178.713 178.713 177.121 1.592 18942 2513 1 3 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.333 1.220 18942 2514 1 3 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.850 -0.030 18942 2515 1 3 . 1 1 164 164 ALA H H 164 6.801 6.801 7.457 -0.656 18942 2516 1 3 . 1 1 165 165 SER N N 165 120.959 120.959 116.927 4.032 18942 2517 1 3 . 1 1 165 165 SER C C 165 171.079 171.079 174.021 -2.942 18942 2518 1 3 . 1 1 165 165 SER CA C 165 61.464 61.464 59.179 2.285 18942 2519 1 3 . 1 1 165 165 SER CB C 165 61.858 61.858 63.408 -1.550 18942 2520 1 3 . 1 1 165 165 SER H H 165 8.656 8.656 8.644 0.012 18942 2521 1 3 . 1 1 166 166 GLU N N 166 116.428 116.428 119.865 -3.437 18942 2522 1 3 . 1 1 166 166 GLU CA C 166 54.147 54.147 53.360 0.787 18942 2523 1 3 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.495 0.562 18942 2524 1 3 . 1 1 166 166 GLU H H 166 7.949 7.949 7.446 0.503 18942 2525 1 3 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.354 -1.570 18942 2526 1 3 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.492 1.977 18942 2527 1 3 . 1 1 168 168 THR C C 168 176.433 176.433 175.873 0.560 18942 2528 1 3 . 1 1 168 168 THR CA C 168 67.606 67.606 64.727 2.879 18942 2529 1 3 . 1 1 168 168 THR CB C 168 69.086 69.086 69.068 0.018 18942 2530 1 3 . 1 1 169 169 GLU N N 169 118.116 118.116 119.374 -1.258 18942 2531 1 3 . 1 1 169 169 GLU C C 169 177.434 177.434 177.413 0.021 18942 2532 1 3 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.292 0.657 18942 2533 1 3 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.214 -0.643 18942 2534 1 3 . 1 1 169 169 GLU H H 169 9.598 9.598 8.635 0.963 18942 2535 1 3 . 1 1 170 170 LYS N N 170 114.965 114.965 112.650 2.315 18942 2536 1 3 . 1 1 170 170 LYS C C 170 173.967 173.967 175.822 -1.855 18942 2537 1 3 . 1 1 170 170 LYS CA C 170 56.221 56.221 55.623 0.598 18942 2538 1 3 . 1 1 170 170 LYS CB C 170 33.814 33.814 33.364 0.450 18942 2539 1 3 . 1 1 170 170 LYS H H 170 7.300 7.300 7.488 -0.188 18942 2540 1 3 . 1 1 171 171 HIS N N 171 112.017 112.017 116.932 -4.915 18942 2541 1 3 . 1 1 171 171 HIS C C 171 171.860 171.860 173.179 -1.319 18942 2542 1 3 . 1 1 171 171 HIS CA C 171 57.840 57.840 56.156 1.684 18942 2543 1 3 . 1 1 171 171 HIS CB C 171 33.695 33.695 32.847 0.848 18942 2544 1 3 . 1 1 171 171 HIS H H 171 7.198 7.198 7.819 -0.621 18942 2545 1 3 . 1 1 172 172 PHE N N 172 121.188 121.188 120.590 0.598 18942 2546 1 3 . 1 1 172 172 PHE C C 172 172.383 172.383 172.975 -0.592 18942 2547 1 3 . 1 1 172 172 PHE CA C 172 55.210 55.210 57.111 -1.901 18942 2548 1 3 . 1 1 172 172 PHE CB C 172 41.412 41.412 42.364 -0.952 18942 2549 1 3 . 1 1 172 172 PHE H H 172 7.342 7.342 7.899 -0.557 18942 2550 1 3 . 1 1 173 173 PHE N N 173 120.855 120.855 121.579 -0.724 18942 2551 1 3 . 1 1 173 173 PHE C C 173 173.751 173.751 172.292 1.459 18942 2552 1 3 . 1 1 173 173 PHE CA C 173 55.895 55.895 55.927 -0.032 18942 2553 1 3 . 1 1 173 173 PHE CB C 173 45.217 45.217 40.216 5.001 18942 2554 1 3 . 1 1 173 173 PHE H H 173 8.012 8.012 7.752 0.260 18942 2555 1 3 . 1 1 174 174 ASN N N 174 118.624 118.624 117.992 0.632 18942 2556 1 3 . 1 1 174 174 ASN C C 174 176.826 176.826 176.732 0.094 18942 2557 1 3 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.186 1.112 18942 2558 1 3 . 1 1 174 174 ASN CB C 174 40.549 40.549 39.805 0.744 18942 2559 1 3 . 1 1 174 174 ASN H H 174 8.760 8.760 8.455 0.305 18942 2560 1 3 . 1 1 175 175 VAL N N 175 122.779 122.779 121.854 0.925 18942 2561 1 3 . 1 1 175 175 VAL C C 175 174.743 174.743 176.369 -1.626 18942 2562 1 3 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.707 -1.165 18942 2563 1 3 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.293 0.788 18942 2564 1 3 . 1 1 175 175 VAL H H 175 8.349 8.349 8.385 -0.036 18942 2565 1 3 . 1 1 176 176 SER N N 176 111.983 111.983 111.278 0.705 18942 2566 1 3 . 1 1 176 176 SER C C 176 174.583 174.583 174.029 0.554 18942 2567 1 3 . 1 1 176 176 SER CA C 176 57.972 57.972 59.139 -1.167 18942 2568 1 3 . 1 1 176 176 SER CB C 176 63.722 63.722 63.368 0.354 18942 2569 1 3 . 1 1 176 176 SER H H 176 7.933 7.933 7.985 -0.052 18942 2570 1 3 . 1 1 177 177 ASP N N 177 122.321 122.321 121.321 1.000 18942 2571 1 3 . 1 1 177 177 ASP C C 177 178.008 178.008 175.346 2.662 18942 2572 1 3 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.786 0.529 18942 2573 1 3 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.622 -0.935 18942 2574 1 3 . 1 1 177 177 ASP H H 177 7.696 7.696 7.547 0.149 18942 2575 1 3 . 1 1 178 178 GLU N N 178 128.610 128.610 123.724 4.886 18942 2576 1 3 . 1 1 178 178 GLU C C 178 177.787 177.787 176.731 1.056 18942 2577 1 3 . 1 1 178 178 GLU CA C 178 59.124 59.124 56.635 2.489 18942 2578 1 3 . 1 1 178 178 GLU CB C 178 29.724 29.724 30.176 -0.452 18942 2579 1 3 . 1 1 178 178 GLU H H 178 9.211 9.211 8.574 0.637 18942 2580 1 3 . 1 1 179 179 LEU N N 179 117.532 117.532 121.406 -3.874 18942 2581 1 3 . 1 1 179 179 LEU C C 179 178.646 178.646 178.135 0.511 18942 2582 1 3 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.368 -1.293 18942 2583 1 3 . 1 1 179 179 LEU CB C 179 41.784 41.784 42.632 -0.848 18942 2584 1 3 . 1 1 179 179 LEU H H 179 8.683 8.683 8.879 -0.196 18942 2585 1 3 . 1 1 180 180 ALA N N 180 123.387 123.387 122.131 1.256 18942 2586 1 3 . 1 1 180 180 ALA C C 180 178.175 178.175 178.878 -0.703 18942 2587 1 3 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.240 1.717 18942 2588 1 3 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.988 1.333 18942 2589 1 3 . 1 1 180 180 ALA H H 180 7.627 7.627 8.890 -1.263 18942 2590 1 3 . 1 1 181 181 LEU N N 181 114.375 114.375 117.972 -3.597 18942 2591 1 3 . 1 1 181 181 LEU C C 181 178.681 178.681 178.507 0.174 18942 2592 1 3 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.123 1.009 18942 2593 1 3 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.645 -0.507 18942 2594 1 3 . 1 1 181 181 LEU H H 181 7.638 7.638 7.960 -0.322 18942 2595 1 3 . 1 1 182 182 VAL N N 182 113.683 113.683 118.191 -4.508 18942 2596 1 3 . 1 1 182 182 VAL C C 182 178.401 178.401 177.596 0.805 18942 2597 1 3 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.618 -1.444 18942 2598 1 3 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.316 0.659 18942 2599 1 3 . 1 1 182 182 VAL H H 182 7.448 7.448 7.559 -0.111 18942 2600 1 3 . 1 1 183 183 THR N N 183 116.081 116.081 116.531 -0.450 18942 2601 1 3 . 1 1 183 183 THR C C 183 176.701 176.701 176.241 0.460 18942 2602 1 3 . 1 1 183 183 THR CA C 183 66.999 66.999 66.512 0.487 18942 2603 1 3 . 1 1 183 183 THR CB C 183 67.885 67.885 68.272 -0.387 18942 2604 1 3 . 1 1 183 183 THR H H 183 7.527 7.527 7.260 0.267 18942 2605 1 3 . 1 1 184 184 ILE N N 184 124.157 124.157 121.788 2.369 18942 2606 1 3 . 1 1 184 184 ILE C C 184 177.072 177.072 177.687 -0.615 18942 2607 1 3 . 1 1 184 184 ILE CA C 184 66.514 66.514 62.295 4.219 18942 2608 1 3 . 1 1 184 184 ILE CB C 184 38.229 38.229 36.170 2.059 18942 2609 1 3 . 1 1 184 184 ILE H H 184 8.406 8.406 7.030 1.376 18942 2610 1 3 . 1 1 185 185 VAL N N 185 115.165 115.165 120.687 -5.522 18942 2611 1 3 . 1 1 185 185 VAL C C 185 178.544 178.544 177.596 0.948 18942 2612 1 3 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.480 0.522 18942 2613 1 3 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.333 -0.327 18942 2614 1 3 . 1 1 185 185 VAL H H 185 7.429 7.429 7.503 -0.074 18942 2615 1 3 . 1 1 186 186 LYS N N 186 119.326 119.326 117.428 1.898 18942 2616 1 3 . 1 1 186 186 LYS C C 186 179.109 179.109 178.839 0.270 18942 2617 1 3 . 1 1 186 186 LYS CA C 186 59.496 59.496 58.590 0.906 18942 2618 1 3 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.317 0.549 18942 2619 1 3 . 1 1 186 186 LYS H H 186 7.659 7.659 7.915 -0.256 18942 2620 1 3 . 1 1 187 187 THR N N 187 116.582 116.582 116.130 0.452 18942 2621 1 3 . 1 1 187 187 THR C C 187 177.056 177.056 176.713 0.343 18942 2622 1 3 . 1 1 187 187 THR CA C 187 66.358 66.358 66.371 -0.013 18942 2623 1 3 . 1 1 187 187 THR CB C 187 69.105 69.105 69.062 0.043 18942 2624 1 3 . 1 1 187 187 THR H H 187 8.377 8.377 7.855 0.522 18942 2625 1 3 . 1 1 188 188 LEU N N 188 121.469 121.469 119.266 2.203 18942 2626 1 3 . 1 1 188 188 LEU C C 188 178.177 178.177 178.009 0.168 18942 2627 1 3 . 1 1 188 188 LEU CA C 188 57.524 57.524 55.732 1.792 18942 2628 1 3 . 1 1 188 188 LEU CB C 188 42.316 42.316 42.030 0.286 18942 2629 1 3 . 1 1 188 188 LEU H H 188 8.262 8.262 8.318 -0.056 18942 2630 1 3 . 1 1 189 189 GLY N N 189 104.655 104.655 105.903 -1.248 18942 2631 1 3 . 1 1 189 189 GLY C C 189 174.400 174.400 174.420 -0.020 18942 2632 1 3 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.083 0.884 18942 2633 1 3 . 1 1 189 189 GLY H H 189 7.898 7.898 7.415 0.482 18942 2634 1 3 . 1 1 190 190 GLU N N 190 119.430 119.430 120.481 -1.051 18942 2635 1 3 . 1 1 190 190 GLU C C 190 176.344 176.344 176.623 -0.279 18942 2636 1 3 . 1 1 190 190 GLU CA C 190 56.871 56.871 54.119 2.752 18942 2637 1 3 . 1 1 190 190 GLU CB C 190 30.653 30.653 31.372 -0.719 18942 2638 1 3 . 1 1 190 190 GLU H H 190 7.630 7.630 7.462 0.168 18942 2639 1 3 . 1 1 191 191 ARG N N 191 121.191 121.191 122.110 -0.919 18942 2640 1 3 . 1 1 191 191 ARG C C 191 175.205 175.205 175.984 -0.779 18942 2641 1 3 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.857 -1.796 18942 2642 1 3 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.453 0.403 18942 2643 1 3 . 1 1 191 191 ARG H H 191 8.126 8.126 8.587 -0.461 18942 2644 1 4 . 1 1 2 2 THR N N 2 115.468 115.468 121.748 -6.280 18942 2645 1 4 . 1 1 2 2 THR C C 2 174.211 174.211 174.118 0.093 18942 2646 1 4 . 1 1 2 2 THR CA C 2 61.939 61.939 61.997 -0.058 18942 2647 1 4 . 1 1 2 2 THR CB C 2 70.018 70.018 68.313 1.705 18942 2648 1 4 . 1 1 2 2 THR H H 2 8.002 8.002 8.872 -0.870 18942 2649 1 4 . 1 1 3 3 GLN N N 3 122.804 122.804 126.592 -3.788 18942 2650 1 4 . 1 1 3 3 GLN C C 3 174.443 174.443 174.652 -0.209 18942 2651 1 4 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.246 1.314 18942 2652 1 4 . 1 1 3 3 GLN CB C 3 30.049 30.049 28.649 1.400 18942 2653 1 4 . 1 1 3 3 GLN H H 3 8.225 8.225 8.155 0.070 18942 2654 1 4 . 1 1 4 4 LEU N N 4 120.941 120.941 121.491 -0.550 18942 2655 1 4 . 1 1 4 4 LEU C C 4 174.867 174.867 174.837 0.030 18942 2656 1 4 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.654 -0.154 18942 2657 1 4 . 1 1 4 4 LEU CB C 4 47.427 47.427 44.770 2.658 18942 2658 1 4 . 1 1 4 4 LEU H H 4 6.832 6.832 7.917 -1.085 18942 2659 1 4 . 1 1 5 5 ASP N N 5 125.936 125.936 122.859 3.077 18942 2660 1 4 . 1 1 5 5 ASP C C 5 173.417 173.417 175.573 -2.156 18942 2661 1 4 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.381 0.226 18942 2662 1 4 . 1 1 5 5 ASP CB C 5 42.393 42.393 42.269 0.124 18942 2663 1 4 . 1 1 5 5 ASP H H 5 8.760 8.760 8.507 0.253 18942 2664 1 4 . 1 1 6 6 ILE N N 6 122.489 122.489 124.111 -1.622 18942 2665 1 4 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.603 0.515 18942 2666 1 4 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.713 -1.919 18942 2667 1 4 . 1 1 6 6 ILE H H 6 8.897 8.897 9.142 -0.245 18942 2668 1 4 . 1 1 7 7 VAL N N 7 124.979 124.979 125.487 -0.508 18942 2669 1 4 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.491 0.575 18942 2670 1 4 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.426 -1.264 18942 2671 1 4 . 1 1 7 7 VAL H H 7 9.009 9.009 8.741 0.268 18942 2672 1 4 . 1 1 8 8 ILE N N 8 127.861 127.861 128.584 -0.723 18942 2673 1 4 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.220 1.621 18942 2674 1 4 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.047 -0.031 18942 2675 1 4 . 1 1 8 8 ILE H H 8 8.758 8.758 9.305 -0.547 18942 2676 1 4 . 1 1 9 9 VAL N N 9 129.205 129.205 128.250 0.955 18942 2677 1 4 . 1 1 9 9 VAL C C 9 173.949 173.949 175.022 -1.073 18942 2678 1 4 . 1 1 9 9 VAL CA C 9 61.475 61.475 61.271 0.204 18942 2679 1 4 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.404 -0.008 18942 2680 1 4 . 1 1 9 9 VAL H H 9 9.713 9.713 9.251 0.462 18942 2681 1 4 . 1 1 10 10 LEU N N 10 123.753 123.753 128.886 -5.133 18942 2682 1 4 . 1 1 10 10 LEU C C 10 174.175 174.175 175.222 -1.047 18942 2683 1 4 . 1 1 10 10 LEU CA C 10 53.726 53.726 53.008 0.718 18942 2684 1 4 . 1 1 10 10 LEU CB C 10 44.609 44.609 43.424 1.185 18942 2685 1 4 . 1 1 10 10 LEU H H 10 9.261 9.261 9.162 0.099 18942 2686 1 4 . 1 1 11 11 ASP N N 11 125.333 125.333 121.232 4.101 18942 2687 1 4 . 1 1 11 11 ASP C C 11 174.405 174.405 176.659 -2.254 18942 2688 1 4 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.639 0.914 18942 2689 1 4 . 1 1 11 11 ASP CB C 11 41.590 41.590 42.132 -0.542 18942 2690 1 4 . 1 1 11 11 ASP H H 11 7.867 7.867 8.566 -0.699 18942 2691 1 4 . 1 1 12 12 GLY N N 12 113.584 113.584 113.311 0.273 18942 2692 1 4 . 1 1 12 12 GLY C C 12 176.010 176.010 173.589 2.421 18942 2693 1 4 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.483 0.231 18942 2694 1 4 . 1 1 12 12 GLY H H 12 8.825 8.825 7.777 1.048 18942 2695 1 4 . 1 1 13 13 SER N N 13 114.408 114.408 114.357 0.051 18942 2696 1 4 . 1 1 13 13 SER C C 13 173.728 173.728 175.360 -1.632 18942 2697 1 4 . 1 1 13 13 SER CA C 13 58.607 58.607 59.931 -1.324 18942 2698 1 4 . 1 1 13 13 SER CB C 13 64.366 64.366 64.379 -0.013 18942 2699 1 4 . 1 1 13 13 SER H H 13 8.668 8.668 7.546 1.122 18942 2700 1 4 . 1 1 14 14 ASN N N 14 117.122 117.122 121.290 -4.168 18942 2701 1 4 . 1 1 14 14 ASN C C 14 175.323 175.323 176.043 -0.720 18942 2702 1 4 . 1 1 14 14 ASN CA C 14 55.132 55.132 54.896 0.236 18942 2703 1 4 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.911 -1.177 18942 2704 1 4 . 1 1 14 14 ASN H H 14 8.800 8.800 8.899 -0.099 18942 2705 1 4 . 1 1 15 15 SER N N 15 109.840 109.840 112.612 -2.772 18942 2706 1 4 . 1 1 15 15 SER C C 15 175.252 175.252 174.789 0.463 18942 2707 1 4 . 1 1 15 15 SER CA C 15 60.352 60.352 58.584 1.768 18942 2708 1 4 . 1 1 15 15 SER CB C 15 62.281 62.281 63.430 -1.149 18942 2709 1 4 . 1 1 15 15 SER H H 15 8.949 8.949 8.221 0.728 18942 2710 1 4 . 1 1 16 16 ILE N N 16 125.955 125.955 121.101 4.854 18942 2711 1 4 . 1 1 16 16 ILE C C 16 175.772 175.772 176.266 -0.494 18942 2712 1 4 . 1 1 16 16 ILE CA C 16 59.419 59.419 59.892 -0.473 18942 2713 1 4 . 1 1 16 16 ILE CB C 16 34.858 34.858 39.217 -4.359 18942 2714 1 4 . 1 1 16 16 ILE H H 16 7.463 7.463 7.306 0.157 18942 2715 1 4 . 1 1 17 17 TYR N N 17 125.148 125.148 125.561 -0.413 18942 2716 1 4 . 1 1 17 17 TYR CA C 17 55.534 55.534 56.313 -0.779 18942 2717 1 4 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.728 4.904 18942 2718 1 4 . 1 1 17 17 TYR H H 17 8.097 8.097 8.452 -0.355 18942 2719 1 4 . 1 1 18 18 PRO C C 18 177.356 177.356 177.548 -0.192 18942 2720 1 4 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.454 -0.749 18942 2721 1 4 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.176 0.794 18942 2722 1 4 . 1 1 19 19 TRP N N 19 125.777 125.777 126.501 -0.724 18942 2723 1 4 . 1 1 19 19 TRP C C 19 177.067 177.067 177.197 -0.130 18942 2724 1 4 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.487 0.159 18942 2725 1 4 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.701 -0.011 18942 2726 1 4 . 1 1 19 19 TRP H H 19 9.064 9.064 9.060 0.004 18942 2727 1 4 . 1 1 20 20 ASP N N 20 112.639 112.639 120.398 -7.759 18942 2728 1 4 . 1 1 20 20 ASP C C 20 178.681 178.681 178.736 -0.055 18942 2729 1 4 . 1 1 20 20 ASP CA C 20 56.214 56.214 58.309 -2.095 18942 2730 1 4 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.629 -0.245 18942 2731 1 4 . 1 1 20 20 ASP H H 20 8.476 8.476 8.663 -0.187 18942 2732 1 4 . 1 1 21 21 SER N N 21 113.464 113.464 114.275 -0.811 18942 2733 1 4 . 1 1 21 21 SER C C 21 176.264 176.264 176.362 -0.098 18942 2734 1 4 . 1 1 21 21 SER CA C 21 61.853 61.853 61.723 0.130 18942 2735 1 4 . 1 1 21 21 SER CB C 21 63.207 63.207 62.981 0.226 18942 2736 1 4 . 1 1 21 21 SER H H 21 7.436 7.436 7.736 -0.300 18942 2737 1 4 . 1 1 22 22 VAL N N 22 123.136 123.136 121.781 1.355 18942 2738 1 4 . 1 1 22 22 VAL C C 22 177.581 177.581 177.304 0.277 18942 2739 1 4 . 1 1 22 22 VAL CA C 22 66.778 66.778 65.853 0.925 18942 2740 1 4 . 1 1 22 22 VAL CB C 22 30.884 30.884 30.975 -0.091 18942 2741 1 4 . 1 1 22 22 VAL H H 22 7.130 7.130 7.334 -0.204 18942 2742 1 4 . 1 1 23 23 THR N N 23 110.025 110.025 113.874 -3.849 18942 2743 1 4 . 1 1 23 23 THR C C 23 177.587 177.587 176.484 1.103 18942 2744 1 4 . 1 1 23 23 THR CA C 23 66.080 66.080 66.190 -0.110 18942 2745 1 4 . 1 1 23 23 THR CB C 23 68.089 68.089 68.414 -0.325 18942 2746 1 4 . 1 1 23 23 THR H H 23 7.637 7.637 8.338 -0.701 18942 2747 1 4 . 1 1 24 24 ALA N N 24 123.457 123.457 124.148 -0.691 18942 2748 1 4 . 1 1 24 24 ALA C C 24 178.927 178.927 178.782 0.145 18942 2749 1 4 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.932 0.532 18942 2750 1 4 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.324 0.167 18942 2751 1 4 . 1 1 24 24 ALA H H 24 7.768 7.768 8.053 -0.285 18942 2752 1 4 . 1 1 25 25 PHE N N 25 118.072 118.072 120.409 -2.337 18942 2753 1 4 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.747 -0.430 18942 2754 1 4 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.291 -0.353 18942 2755 1 4 . 1 1 25 25 PHE H H 25 7.064 7.064 7.860 -0.796 18942 2756 1 4 . 1 1 26 26 LEU N N 26 115.251 115.251 119.056 -3.805 18942 2757 1 4 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.691 0.012 18942 2758 1 4 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.454 1.851 18942 2759 1 4 . 1 1 26 26 LEU H H 26 8.016 8.016 8.655 -0.639 18942 2760 1 4 . 1 1 27 27 ASN N N 27 114.759 114.759 119.429 -4.670 18942 2761 1 4 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.999 0.524 18942 2762 1 4 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.343 2.366 18942 2763 1 4 . 1 1 27 27 ASN H H 27 7.842 7.842 8.466 -0.624 18942 2764 1 4 . 1 1 28 28 ASP N N 28 116.899 116.899 119.939 -3.040 18942 2765 1 4 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.386 -0.777 18942 2766 1 4 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.898 -0.460 18942 2767 1 4 . 1 1 28 28 ASP H H 28 7.802 7.802 8.248 -0.446 18942 2768 1 4 . 1 1 29 29 LEU N N 29 118.230 118.230 121.246 -3.016 18942 2769 1 4 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.850 -0.026 18942 2770 1 4 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.648 0.365 18942 2771 1 4 . 1 1 29 29 LEU H H 29 7.970 7.970 7.782 0.188 18942 2772 1 4 . 1 1 30 30 LEU N N 30 114.781 114.781 118.797 -4.016 18942 2773 1 4 . 1 1 30 30 LEU C C 30 178.917 178.917 179.397 -0.480 18942 2774 1 4 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.494 0.199 18942 2775 1 4 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.586 0.959 18942 2776 1 4 . 1 1 30 30 LEU H H 30 8.000 8.000 8.452 -0.452 18942 2777 1 4 . 1 1 31 31 GLU N N 31 113.705 113.705 117.395 -3.690 18942 2778 1 4 . 1 1 31 31 GLU C C 31 177.554 177.554 178.092 -0.538 18942 2779 1 4 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.740 -0.295 18942 2780 1 4 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.699 -0.275 18942 2781 1 4 . 1 1 31 31 GLU H H 31 7.880 7.880 8.052 -0.172 18942 2782 1 4 . 1 1 32 32 ARG N N 32 114.470 114.470 116.014 -1.544 18942 2783 1 4 . 1 1 32 32 ARG C C 32 175.851 175.851 176.598 -0.747 18942 2784 1 4 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.778 -1.229 18942 2785 1 4 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.847 -0.261 18942 2786 1 4 . 1 1 32 32 ARG H H 32 7.014 7.014 7.415 -0.401 18942 2787 1 4 . 1 1 33 33 MET N N 33 116.853 116.853 119.751 -2.898 18942 2788 1 4 . 1 1 33 33 MET C C 33 174.809 174.809 174.964 -0.155 18942 2789 1 4 . 1 1 33 33 MET CA C 33 54.694 54.694 53.855 0.840 18942 2790 1 4 . 1 1 33 33 MET CB C 33 35.436 35.436 31.949 3.487 18942 2791 1 4 . 1 1 33 33 MET H H 33 7.528 7.528 7.459 0.069 18942 2792 1 4 . 1 1 34 34 ASP N N 34 123.345 123.345 126.666 -3.321 18942 2793 1 4 . 1 1 34 34 ASP C C 34 173.878 173.878 175.286 -1.408 18942 2794 1 4 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.928 -1.756 18942 2795 1 4 . 1 1 34 34 ASP CB C 34 40.891 40.891 39.961 0.930 18942 2796 1 4 . 1 1 34 34 ASP H H 34 8.784 8.784 8.874 -0.090 18942 2797 1 4 . 1 1 35 35 ILE N N 35 123.293 123.293 125.342 -2.049 18942 2798 1 4 . 1 1 35 35 ILE C C 35 176.589 176.589 175.630 0.959 18942 2799 1 4 . 1 1 35 35 ILE CA C 35 58.830 58.830 59.991 -1.161 18942 2800 1 4 . 1 1 35 35 ILE CB C 35 38.073 38.073 36.960 1.113 18942 2801 1 4 . 1 1 35 35 ILE H H 35 7.188 7.188 7.967 -0.779 18942 2802 1 4 . 1 1 36 36 GLY N N 36 112.822 112.822 113.246 -0.424 18942 2803 1 4 . 1 1 36 36 GLY CA C 36 45.744 45.744 45.620 0.124 18942 2804 1 4 . 1 1 36 36 GLY H H 36 8.748 8.748 8.249 0.499 18942 2805 1 4 . 1 1 37 37 PRO C C 37 178.427 178.427 176.681 1.746 18942 2806 1 4 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.317 0.533 18942 2807 1 4 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.346 -0.145 18942 2808 1 4 . 1 1 38 38 LYS N N 38 116.281 116.281 117.112 -0.831 18942 2809 1 4 . 1 1 38 38 LYS C C 38 176.306 176.306 174.699 1.607 18942 2810 1 4 . 1 1 38 38 LYS CA C 38 54.664 54.664 56.251 -1.587 18942 2811 1 4 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.444 0.201 18942 2812 1 4 . 1 1 38 38 LYS H H 38 8.262 8.262 8.095 0.167 18942 2813 1 4 . 1 1 39 39 GLN N N 39 121.587 121.587 117.731 3.856 18942 2814 1 4 . 1 1 39 39 GLN C C 39 176.105 176.105 175.074 1.031 18942 2815 1 4 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.266 1.183 18942 2816 1 4 . 1 1 39 39 GLN CB C 39 29.540 29.540 32.064 -2.524 18942 2817 1 4 . 1 1 39 39 GLN H H 39 7.680 7.680 7.825 -0.145 18942 2818 1 4 . 1 1 40 40 THR N N 40 124.944 124.944 114.623 10.321 18942 2819 1 4 . 1 1 40 40 THR C C 40 172.592 172.592 173.564 -0.972 18942 2820 1 4 . 1 1 40 40 THR CA C 40 63.650 63.650 63.075 0.575 18942 2821 1 4 . 1 1 40 40 THR CB C 40 69.597 69.597 66.753 2.844 18942 2822 1 4 . 1 1 40 40 THR H H 40 8.525 8.525 8.680 -0.155 18942 2823 1 4 . 1 1 41 41 GLN N N 41 122.782 122.782 120.459 2.323 18942 2824 1 4 . 1 1 41 41 GLN C C 41 174.312 174.312 174.004 0.308 18942 2825 1 4 . 1 1 41 41 GLN CA C 41 55.149 55.149 54.067 1.082 18942 2826 1 4 . 1 1 41 41 GLN CB C 41 33.926 33.926 28.803 5.123 18942 2827 1 4 . 1 1 41 41 GLN H H 41 8.821 8.821 7.787 1.034 18942 2828 1 4 . 1 1 42 42 VAL N N 42 118.560 118.560 119.199 -0.639 18942 2829 1 4 . 1 1 42 42 VAL C C 42 173.505 173.505 175.682 -2.177 18942 2830 1 4 . 1 1 42 42 VAL CA C 42 60.005 60.005 59.190 0.816 18942 2831 1 4 . 1 1 42 42 VAL CB C 42 36.835 36.835 33.927 2.908 18942 2832 1 4 . 1 1 42 42 VAL H H 42 8.135 8.135 8.184 -0.049 18942 2833 1 4 . 1 1 43 43 GLY N N 43 110.800 110.800 113.674 -2.874 18942 2834 1 4 . 1 1 43 43 GLY C C 43 172.196 172.196 172.783 -0.587 18942 2835 1 4 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.281 0.009 18942 2836 1 4 . 1 1 43 43 GLY H H 43 8.606 8.606 8.610 -0.004 18942 2837 1 4 . 1 1 44 44 ILE N N 44 115.225 115.225 124.372 -9.147 18942 2838 1 4 . 1 1 44 44 ILE C C 44 174.136 174.136 175.119 -0.983 18942 2839 1 4 . 1 1 44 44 ILE CA C 44 60.846 60.846 61.128 -0.282 18942 2840 1 4 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.116 2.136 18942 2841 1 4 . 1 1 44 44 ILE H H 44 7.361 7.361 7.877 -0.516 18942 2842 1 4 . 1 1 45 45 VAL N N 45 126.880 126.880 126.734 0.146 18942 2843 1 4 . 1 1 45 45 VAL C C 45 173.113 173.113 174.230 -1.117 18942 2844 1 4 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.546 -0.714 18942 2845 1 4 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.295 0.440 18942 2846 1 4 . 1 1 45 45 VAL H H 45 9.245 9.245 9.181 0.064 18942 2847 1 4 . 1 1 46 46 GLN N N 46 124.650 124.650 126.734 -2.084 18942 2848 1 4 . 1 1 46 46 GLN C C 46 173.879 173.879 174.203 -0.324 18942 2849 1 4 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.183 0.576 18942 2850 1 4 . 1 1 46 46 GLN CB C 46 32.485 32.485 33.354 -0.869 18942 2851 1 4 . 1 1 46 46 GLN H H 46 9.333 9.333 8.933 0.400 18942 2852 1 4 . 1 1 47 47 TYR N N 47 123.588 123.588 119.941 3.647 18942 2853 1 4 . 1 1 47 47 TYR C C 47 172.762 172.762 174.112 -1.350 18942 2854 1 4 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.423 -0.004 18942 2855 1 4 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.045 2.459 18942 2856 1 4 . 1 1 47 47 TYR H H 47 9.300 9.300 8.703 0.597 18942 2857 1 4 . 1 1 48 48 GLY N N 48 107.867 107.867 109.081 -1.214 18942 2858 1 4 . 1 1 48 48 GLY C C 48 172.936 172.936 173.780 -0.844 18942 2859 1 4 . 1 1 48 48 GLY CA C 48 48.040 48.040 45.942 2.098 18942 2860 1 4 . 1 1 48 48 GLY H H 48 7.894 7.894 8.250 -0.356 18942 2861 1 4 . 1 1 49 49 GLU N N 49 127.160 127.160 120.545 6.615 18942 2862 1 4 . 1 1 49 49 GLU C C 49 174.960 174.960 176.360 -1.400 18942 2863 1 4 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.520 -0.266 18942 2864 1 4 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.871 1.072 18942 2865 1 4 . 1 1 49 49 GLU H H 49 9.355 9.355 8.710 0.645 18942 2866 1 4 . 1 1 50 50 ASN N N 50 112.730 112.730 114.865 -2.135 18942 2867 1 4 . 1 1 50 50 ASN C C 50 174.229 174.229 173.155 1.074 18942 2868 1 4 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.301 -1.495 18942 2869 1 4 . 1 1 50 50 ASN CB C 50 41.127 41.127 42.215 -1.088 18942 2870 1 4 . 1 1 50 50 ASN H H 50 7.494 7.494 7.634 -0.140 18942 2871 1 4 . 1 1 51 51 VAL N N 51 118.965 118.965 120.242 -1.277 18942 2872 1 4 . 1 1 51 51 VAL C C 51 174.904 174.904 175.417 -0.513 18942 2873 1 4 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.785 0.945 18942 2874 1 4 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.076 0.958 18942 2875 1 4 . 1 1 51 51 VAL H H 51 8.647 8.647 8.508 0.139 18942 2876 1 4 . 1 1 52 52 THR N N 52 122.865 122.865 123.466 -0.601 18942 2877 1 4 . 1 1 52 52 THR C C 52 173.383 173.383 173.313 0.070 18942 2878 1 4 . 1 1 52 52 THR CA C 52 61.809 61.809 61.137 0.672 18942 2879 1 4 . 1 1 52 52 THR CB C 52 71.943 71.943 70.613 1.330 18942 2880 1 4 . 1 1 52 52 THR H H 52 9.183 9.183 8.667 0.516 18942 2881 1 4 . 1 1 53 53 HIS N N 53 126.441 126.441 122.667 3.774 18942 2882 1 4 . 1 1 53 53 HIS C C 53 175.728 175.728 175.155 0.573 18942 2883 1 4 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.211 2.951 18942 2884 1 4 . 1 1 53 53 HIS CB C 53 31.084 31.084 30.621 0.463 18942 2885 1 4 . 1 1 53 53 HIS H H 53 8.995 8.995 8.471 0.524 18942 2886 1 4 . 1 1 54 54 GLU N N 54 126.720 126.720 121.939 4.781 18942 2887 1 4 . 1 1 54 54 GLU C C 54 178.106 178.106 176.367 1.739 18942 2888 1 4 . 1 1 54 54 GLU CA C 54 57.886 57.886 58.188 -0.302 18942 2889 1 4 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.148 -1.578 18942 2890 1 4 . 1 1 54 54 GLU H H 54 8.901 8.901 8.796 0.105 18942 2891 1 4 . 1 1 55 55 PHE N N 55 106.460 106.460 118.836 -12.376 18942 2892 1 4 . 1 1 55 55 PHE C C 55 174.320 174.320 174.170 0.150 18942 2893 1 4 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.100 -0.056 18942 2894 1 4 . 1 1 55 55 PHE CB C 55 40.763 40.763 40.054 0.709 18942 2895 1 4 . 1 1 55 55 PHE H H 55 7.351 7.351 7.777 -0.426 18942 2896 1 4 . 1 1 56 56 ASN N N 56 119.296 119.296 121.661 -2.365 18942 2897 1 4 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.471 -0.392 18942 2898 1 4 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.772 -0.067 18942 2899 1 4 . 1 1 56 56 ASN H H 56 8.378 8.378 8.871 -0.493 18942 2900 1 4 . 1 1 57 57 LEU C C 57 175.843 175.843 178.604 -2.761 18942 2901 1 4 . 1 1 57 57 LEU CA C 57 58.498 58.498 58.463 0.035 18942 2902 1 4 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.099 1.895 18942 2903 1 4 . 1 1 58 58 ASN N N 58 108.256 108.256 115.844 -7.588 18942 2904 1 4 . 1 1 58 58 ASN C C 58 177.051 177.051 176.042 1.009 18942 2905 1 4 . 1 1 58 58 ASN CA C 58 50.879 50.879 54.328 -3.449 18942 2906 1 4 . 1 1 58 58 ASN CB C 58 38.911 38.911 38.471 0.440 18942 2907 1 4 . 1 1 58 58 ASN H H 58 7.345 7.345 8.160 -0.815 18942 2908 1 4 . 1 1 59 59 LYS N N 59 121.550 121.550 119.579 1.971 18942 2909 1 4 . 1 1 59 59 LYS C C 59 176.380 176.380 176.450 -0.070 18942 2910 1 4 . 1 1 59 59 LYS CA C 59 59.241 59.241 55.309 3.932 18942 2911 1 4 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.889 -0.026 18942 2912 1 4 . 1 1 59 59 LYS H H 59 7.793 7.793 7.572 0.221 18942 2913 1 4 . 1 1 60 60 TYR N N 60 115.388 115.388 118.682 -3.294 18942 2914 1 4 . 1 1 60 60 TYR C C 60 176.551 176.551 174.650 1.901 18942 2915 1 4 . 1 1 60 60 TYR CA C 60 56.785 56.785 57.510 -0.725 18942 2916 1 4 . 1 1 60 60 TYR CB C 60 40.587 40.587 38.551 2.036 18942 2917 1 4 . 1 1 60 60 TYR H H 60 8.838 8.838 7.937 0.901 18942 2918 1 4 . 1 1 61 61 SER N N 61 113.454 113.454 115.463 -2.009 18942 2919 1 4 . 1 1 61 61 SER C C 61 172.093 172.093 173.066 -0.973 18942 2920 1 4 . 1 1 61 61 SER CA C 61 57.686 57.686 58.386 -0.700 18942 2921 1 4 . 1 1 61 61 SER CB C 61 64.641 64.641 65.324 -0.683 18942 2922 1 4 . 1 1 61 61 SER H H 61 8.869 8.869 8.476 0.393 18942 2923 1 4 . 1 1 62 62 SER N N 62 110.923 110.923 113.993 -3.070 18942 2924 1 4 . 1 1 62 62 SER C C 62 174.355 174.355 174.699 -0.344 18942 2925 1 4 . 1 1 62 62 SER CA C 62 56.928 56.928 56.623 0.305 18942 2926 1 4 . 1 1 62 62 SER CB C 62 67.154 67.154 66.598 0.556 18942 2927 1 4 . 1 1 62 62 SER H H 62 7.236 7.236 7.523 -0.287 18942 2928 1 4 . 1 1 63 63 THR N N 63 120.405 120.405 117.594 2.811 18942 2929 1 4 . 1 1 63 63 THR C C 63 175.543 175.543 176.140 -0.597 18942 2930 1 4 . 1 1 63 63 THR CA C 63 69.245 69.245 67.994 1.251 18942 2931 1 4 . 1 1 63 63 THR CB C 63 67.203 67.203 68.610 -1.407 18942 2932 1 4 . 1 1 63 63 THR H H 63 9.263 9.263 8.358 0.905 18942 2933 1 4 . 1 1 64 64 GLU N N 64 119.002 119.002 121.017 -2.015 18942 2934 1 4 . 1 1 64 64 GLU C C 64 178.754 178.754 178.331 0.423 18942 2935 1 4 . 1 1 64 64 GLU CA C 64 60.437 60.437 60.121 0.316 18942 2936 1 4 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.347 0.119 18942 2937 1 4 . 1 1 64 64 GLU H H 64 8.873 8.873 8.622 0.251 18942 2938 1 4 . 1 1 65 65 GLU N N 65 114.467 114.467 119.401 -4.934 18942 2939 1 4 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.139 -0.088 18942 2940 1 4 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.578 1.760 18942 2941 1 4 . 1 1 65 65 GLU H H 65 7.299 7.299 7.640 -0.341 18942 2942 1 4 . 1 1 66 66 VAL N N 66 118.486 118.486 119.650 -1.164 18942 2943 1 4 . 1 1 66 66 VAL C C 66 176.723 176.723 177.892 -1.169 18942 2944 1 4 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.047 -0.029 18942 2945 1 4 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.771 -0.236 18942 2946 1 4 . 1 1 66 66 VAL H H 66 7.361 7.361 8.035 -0.674 18942 2947 1 4 . 1 1 67 67 LEU N N 67 119.314 119.314 122.287 -2.973 18942 2948 1 4 . 1 1 67 67 LEU C C 67 180.087 180.087 178.514 1.573 18942 2949 1 4 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.459 -0.459 18942 2950 1 4 . 1 1 67 67 LEU CB C 67 41.941 41.941 42.072 -0.131 18942 2951 1 4 . 1 1 67 67 LEU H H 67 8.154 8.154 8.178 -0.024 18942 2952 1 4 . 1 1 68 68 VAL N N 68 117.110 117.110 118.195 -1.085 18942 2953 1 4 . 1 1 68 68 VAL C C 68 179.736 179.736 177.179 2.557 18942 2954 1 4 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.656 0.537 18942 2955 1 4 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.727 0.469 18942 2956 1 4 . 1 1 68 68 VAL H H 68 7.110 7.110 8.421 -1.311 18942 2957 1 4 . 1 1 69 69 ALA N N 69 119.661 119.661 121.879 -2.218 18942 2958 1 4 . 1 1 69 69 ALA C C 69 181.653 181.653 178.665 2.988 18942 2959 1 4 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.552 0.528 18942 2960 1 4 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.289 2.791 18942 2961 1 4 . 1 1 69 69 ALA H H 69 6.970 6.970 7.513 -0.543 18942 2962 1 4 . 1 1 70 70 ALA N N 70 120.071 120.071 120.506 -0.435 18942 2963 1 4 . 1 1 70 70 ALA C C 70 178.758 178.758 179.200 -0.442 18942 2964 1 4 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.204 -0.101 18942 2965 1 4 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.596 -0.499 18942 2966 1 4 . 1 1 70 70 ALA H H 70 8.881 8.881 8.133 0.748 18942 2967 1 4 . 1 1 71 71 LYS N N 71 112.889 112.889 115.779 -2.890 18942 2968 1 4 . 1 1 71 71 LYS C C 71 177.551 177.551 178.329 -0.778 18942 2969 1 4 . 1 1 71 71 LYS CA C 71 58.190 58.190 58.088 0.102 18942 2970 1 4 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.176 0.661 18942 2971 1 4 . 1 1 71 71 LYS H H 71 7.124 7.124 7.663 -0.539 18942 2972 1 4 . 1 1 72 72 LYS N N 72 114.633 114.633 119.639 -5.006 18942 2973 1 4 . 1 1 72 72 LYS C C 72 176.789 176.789 177.236 -0.447 18942 2974 1 4 . 1 1 72 72 LYS CA C 72 55.865 55.865 58.081 -2.216 18942 2975 1 4 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.444 -0.037 18942 2976 1 4 . 1 1 72 72 LYS H H 72 7.150 7.150 7.582 -0.432 18942 2977 1 4 . 1 1 73 73 ILE N N 73 120.045 120.045 121.639 -1.594 18942 2978 1 4 . 1 1 73 73 ILE C C 73 176.494 176.494 174.755 1.739 18942 2979 1 4 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.823 1.206 18942 2980 1 4 . 1 1 73 73 ILE CB C 73 37.347 37.347 36.806 0.541 18942 2981 1 4 . 1 1 73 73 ILE H H 73 7.164 7.164 7.784 -0.620 18942 2982 1 4 . 1 1 74 74 VAL N N 74 126.199 126.199 122.500 3.699 18942 2983 1 4 . 1 1 74 74 VAL C C 74 174.021 174.021 174.386 -0.365 18942 2984 1 4 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.673 -0.026 18942 2985 1 4 . 1 1 74 74 VAL CB C 74 33.973 33.973 34.002 -0.029 18942 2986 1 4 . 1 1 74 74 VAL H H 74 8.174 8.174 7.707 0.467 18942 2987 1 4 . 1 1 75 75 GLN N N 75 123.009 123.009 123.625 -0.616 18942 2988 1 4 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.998 0.480 18942 2989 1 4 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.269 -2.138 18942 2990 1 4 . 1 1 75 75 GLN H H 75 7.569 7.569 6.996 0.573 18942 2991 1 4 . 1 1 76 76 ARG N N 76 129.740 129.740 122.766 6.974 18942 2992 1 4 . 1 1 76 76 ARG C C 76 178.628 178.628 176.407 2.221 18942 2993 1 4 . 1 1 76 76 ARG CA C 76 57.917 57.917 55.856 2.061 18942 2994 1 4 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.944 -1.165 18942 2995 1 4 . 1 1 76 76 ARG H H 76 9.670 9.670 8.660 1.010 18942 2996 1 4 . 1 1 77 77 GLY N N 77 106.443 106.443 106.565 -0.122 18942 2997 1 4 . 1 1 77 77 GLY C C 77 174.221 174.221 172.698 1.523 18942 2998 1 4 . 1 1 77 77 GLY CA C 77 44.916 44.916 45.134 -0.218 18942 2999 1 4 . 1 1 77 77 GLY H H 77 7.360 7.360 7.911 -0.551 18942 3000 1 4 . 1 1 78 78 GLY N N 78 103.622 103.622 108.738 -5.116 18942 3001 1 4 . 1 1 78 78 GLY C C 78 172.710 172.710 173.767 -1.057 18942 3002 1 4 . 1 1 78 78 GLY CA C 78 46.986 46.986 43.894 3.092 18942 3003 1 4 . 1 1 78 78 GLY H H 78 7.851 7.851 7.855 -0.004 18942 3004 1 4 . 1 1 79 79 ARG N N 79 124.452 124.452 123.824 0.628 18942 3005 1 4 . 1 1 79 79 ARG C C 79 174.484 174.484 176.214 -1.730 18942 3006 1 4 . 1 1 79 79 ARG CA C 79 57.437 57.437 57.560 -0.123 18942 3007 1 4 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.028 -0.690 18942 3008 1 4 . 1 1 79 79 ARG H H 79 9.952 9.952 8.996 0.956 18942 3009 1 4 . 1 1 80 80 GLN N N 80 113.887 113.887 115.878 -1.991 18942 3010 1 4 . 1 1 80 80 GLN C C 80 173.824 173.824 173.998 -0.174 18942 3011 1 4 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.661 0.380 18942 3012 1 4 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.840 1.815 18942 3013 1 4 . 1 1 80 80 GLN H H 80 7.411 7.411 7.944 -0.533 18942 3014 1 4 . 1 1 81 81 THR N N 81 117.791 117.791 119.429 -1.638 18942 3015 1 4 . 1 1 81 81 THR C C 81 175.393 175.393 173.546 1.847 18942 3016 1 4 . 1 1 81 81 THR CA C 81 62.222 62.222 62.483 -0.261 18942 3017 1 4 . 1 1 81 81 THR CB C 81 71.140 71.140 69.483 1.657 18942 3018 1 4 . 1 1 81 81 THR H H 81 11.198 11.198 8.655 2.543 18942 3019 1 4 . 1 1 82 82 MET N N 82 128.338 128.338 128.195 0.143 18942 3020 1 4 . 1 1 82 82 MET C C 82 175.011 175.011 175.921 -0.910 18942 3021 1 4 . 1 1 82 82 MET CA C 82 52.078 52.078 52.676 -0.598 18942 3022 1 4 . 1 1 82 82 MET CB C 82 29.146 29.146 33.224 -4.079 18942 3023 1 4 . 1 1 82 82 MET H H 82 8.679 8.679 9.232 -0.553 18942 3024 1 4 . 1 1 83 83 THR N N 83 120.032 120.032 121.205 -1.173 18942 3025 1 4 . 1 1 83 83 THR C C 83 175.014 175.014 175.702 -0.688 18942 3026 1 4 . 1 1 83 83 THR CA C 83 65.627 65.627 67.175 -1.548 18942 3027 1 4 . 1 1 83 83 THR CB C 83 69.254 69.254 68.897 0.357 18942 3028 1 4 . 1 1 83 83 THR H H 83 6.986 6.986 8.986 -2.000 18942 3029 1 4 . 1 1 84 84 ALA N N 84 126.207 126.207 123.251 2.956 18942 3030 1 4 . 1 1 84 84 ALA C C 84 179.500 179.500 179.050 0.450 18942 3031 1 4 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.910 1.159 18942 3032 1 4 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.087 -1.357 18942 3033 1 4 . 1 1 84 84 ALA H H 84 10.069 10.069 8.334 1.735 18942 3034 1 4 . 1 1 85 85 LEU N N 85 119.501 119.501 120.006 -0.505 18942 3035 1 4 . 1 1 85 85 LEU C C 85 181.098 181.098 178.877 2.221 18942 3036 1 4 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.757 0.149 18942 3037 1 4 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.609 0.159 18942 3038 1 4 . 1 1 85 85 LEU H H 85 8.166 8.166 7.370 0.796 18942 3039 1 4 . 1 1 86 86 GLY N N 86 110.546 110.546 107.298 3.248 18942 3040 1 4 . 1 1 86 86 GLY C C 86 174.135 174.135 175.982 -1.847 18942 3041 1 4 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.071 0.252 18942 3042 1 4 . 1 1 86 86 GLY H H 86 8.720 8.720 7.797 0.923 18942 3043 1 4 . 1 1 87 87 ILE N N 87 120.213 120.213 122.332 -2.119 18942 3044 1 4 . 1 1 87 87 ILE C C 87 177.503 177.503 177.532 -0.029 18942 3045 1 4 . 1 1 87 87 ILE CA C 87 66.253 66.253 65.603 0.650 18942 3046 1 4 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.764 1.147 18942 3047 1 4 . 1 1 87 87 ILE H H 87 8.141 8.141 8.079 0.062 18942 3048 1 4 . 1 1 88 88 ASP N N 88 118.326 118.326 119.860 -1.534 18942 3049 1 4 . 1 1 88 88 ASP C C 88 178.751 178.751 178.687 0.064 18942 3050 1 4 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.911 -0.342 18942 3051 1 4 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.996 2.252 18942 3052 1 4 . 1 1 88 88 ASP H H 88 8.512 8.512 8.412 0.100 18942 3053 1 4 . 1 1 89 89 THR N N 89 112.028 112.028 116.158 -4.130 18942 3054 1 4 . 1 1 89 89 THR C C 89 176.400 176.400 176.302 0.098 18942 3055 1 4 . 1 1 89 89 THR CA C 89 68.345 68.345 66.212 2.133 18942 3056 1 4 . 1 1 89 89 THR CB C 89 67.082 67.082 68.929 -1.847 18942 3057 1 4 . 1 1 89 89 THR H H 89 8.470 8.470 8.111 0.359 18942 3058 1 4 . 1 1 90 90 ALA N N 90 124.209 124.209 123.922 0.287 18942 3059 1 4 . 1 1 90 90 ALA C C 90 178.756 178.756 179.115 -0.359 18942 3060 1 4 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.141 0.875 18942 3061 1 4 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.362 0.647 18942 3062 1 4 . 1 1 90 90 ALA H H 90 8.159 8.159 8.302 -0.143 18942 3063 1 4 . 1 1 91 91 ARG N N 91 116.481 116.481 115.976 0.505 18942 3064 1 4 . 1 1 91 91 ARG C C 91 177.990 177.990 177.950 0.040 18942 3065 1 4 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.718 2.011 18942 3066 1 4 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.152 -0.235 18942 3067 1 4 . 1 1 91 91 ARG H H 91 8.479 8.479 8.085 0.394 18942 3068 1 4 . 1 1 92 92 LYS N N 92 113.675 113.675 116.497 -2.822 18942 3069 1 4 . 1 1 92 92 LYS C C 92 178.208 178.208 176.209 1.999 18942 3070 1 4 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.269 1.711 18942 3071 1 4 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.191 1.042 18942 3072 1 4 . 1 1 92 92 LYS H H 92 8.073 8.073 7.545 0.528 18942 3073 1 4 . 1 1 93 93 GLU N N 93 112.950 112.950 118.204 -5.254 18942 3074 1 4 . 1 1 93 93 GLU C C 93 178.160 178.160 177.156 1.004 18942 3075 1 4 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.717 -0.417 18942 3076 1 4 . 1 1 93 93 GLU CB C 93 33.059 33.059 31.305 1.754 18942 3077 1 4 . 1 1 93 93 GLU H H 93 8.678 8.678 7.980 0.698 18942 3078 1 4 . 1 1 94 94 ALA N N 94 119.150 119.150 124.014 -4.864 18942 3079 1 4 . 1 1 94 94 ALA C C 94 177.262 177.262 179.141 -1.879 18942 3080 1 4 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.552 0.559 18942 3081 1 4 . 1 1 94 94 ALA CB C 94 20.213 20.213 18.999 1.214 18942 3082 1 4 . 1 1 94 94 ALA H H 94 8.529 8.529 7.729 0.800 18942 3083 1 4 . 1 1 95 95 PHE N N 95 111.282 111.282 120.134 -8.852 18942 3084 1 4 . 1 1 95 95 PHE C C 95 175.308 175.308 174.317 0.991 18942 3085 1 4 . 1 1 95 95 PHE CA C 95 56.984 56.984 56.981 0.003 18942 3086 1 4 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.838 0.127 18942 3087 1 4 . 1 1 95 95 PHE H H 95 6.981 6.981 8.296 -1.315 18942 3088 1 4 . 1 1 96 96 THR N N 96 106.274 106.274 111.572 -5.298 18942 3089 1 4 . 1 1 96 96 THR CA C 96 59.540 59.540 59.731 -0.191 18942 3090 1 4 . 1 1 96 96 THR CB C 96 71.910 71.910 72.064 -0.153 18942 3091 1 4 . 1 1 96 96 THR H H 96 6.842 6.842 7.428 -0.587 18942 3092 1 4 . 1 1 98 98 ALA C C 98 179.284 179.284 178.988 0.296 18942 3093 1 4 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.074 0.947 18942 3094 1 4 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.406 0.250 18942 3095 1 4 . 1 1 99 99 ARG N N 99 114.439 114.439 117.184 -2.745 18942 3096 1 4 . 1 1 99 99 ARG C C 99 174.052 174.052 175.719 -1.667 18942 3097 1 4 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.281 2.434 18942 3098 1 4 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.499 -0.225 18942 3099 1 4 . 1 1 99 99 ARG H H 99 7.061 7.061 7.714 -0.653 18942 3100 1 4 . 1 1 100 100 GLY N N 100 101.608 101.608 105.861 -4.253 18942 3101 1 4 . 1 1 100 100 GLY C C 100 174.164 174.164 173.623 0.541 18942 3102 1 4 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.717 0.993 18942 3103 1 4 . 1 1 100 100 GLY H H 100 7.496 7.496 7.779 -0.283 18942 3104 1 4 . 1 1 101 101 ALA N N 101 123.007 123.007 122.873 0.134 18942 3105 1 4 . 1 1 101 101 ALA C C 101 177.955 177.955 177.071 0.884 18942 3106 1 4 . 1 1 101 101 ALA CA C 101 53.120 53.120 50.962 2.158 18942 3107 1 4 . 1 1 101 101 ALA CB C 101 18.525 18.525 20.192 -1.667 18942 3108 1 4 . 1 1 101 101 ALA H H 101 7.691 7.691 7.767 -0.076 18942 3109 1 4 . 1 1 102 102 ARG N N 102 124.837 124.837 122.685 2.152 18942 3110 1 4 . 1 1 102 102 ARG C C 102 176.459 176.459 176.072 0.387 18942 3111 1 4 . 1 1 102 102 ARG CA C 102 55.186 55.186 54.192 0.994 18942 3112 1 4 . 1 1 102 102 ARG CB C 102 32.273 32.273 30.862 1.411 18942 3113 1 4 . 1 1 102 102 ARG H H 102 9.456 9.456 9.508 -0.052 18942 3114 1 4 . 1 1 103 103 ARG N N 103 123.729 123.729 125.907 -2.178 18942 3115 1 4 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.923 0.869 18942 3116 1 4 . 1 1 103 103 ARG CB C 103 30.039 30.039 29.707 0.332 18942 3117 1 4 . 1 1 103 103 ARG H H 103 8.520 8.520 8.753 -0.233 18942 3118 1 4 . 1 1 104 104 GLY N N 104 108.061 108.061 112.995 -4.934 18942 3119 1 4 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.574 1.335 18942 3120 1 4 . 1 1 104 104 GLY H H 104 8.345 8.345 8.924 -0.579 18942 3121 1 4 . 1 1 105 105 VAL N N 105 118.807 118.807 120.457 -1.650 18942 3122 1 4 . 1 1 105 105 VAL C C 105 176.102 176.102 175.376 0.726 18942 3123 1 4 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.859 0.946 18942 3124 1 4 . 1 1 105 105 VAL CB C 105 31.820 31.820 33.529 -1.709 18942 3125 1 4 . 1 1 105 105 VAL H H 105 7.298 7.298 7.457 -0.159 18942 3126 1 4 . 1 1 106 106 LYS N N 106 127.841 127.841 123.862 3.979 18942 3127 1 4 . 1 1 106 106 LYS C C 106 174.143 174.143 175.744 -1.601 18942 3128 1 4 . 1 1 106 106 LYS CA C 106 57.647 57.647 57.065 0.582 18942 3129 1 4 . 1 1 106 106 LYS CB C 106 33.387 33.387 32.260 1.127 18942 3130 1 4 . 1 1 106 106 LYS H H 106 8.288 8.288 8.621 -0.333 18942 3131 1 4 . 1 1 107 107 LYS N N 107 122.939 122.939 124.448 -1.509 18942 3132 1 4 . 1 1 107 107 LYS C C 107 176.540 176.540 175.497 1.043 18942 3133 1 4 . 1 1 107 107 LYS CA C 107 55.587 55.587 54.898 0.689 18942 3134 1 4 . 1 1 107 107 LYS CB C 107 35.607 35.607 33.310 2.297 18942 3135 1 4 . 1 1 107 107 LYS H H 107 8.401 8.401 8.365 0.036 18942 3136 1 4 . 1 1 108 108 VAL N N 108 122.376 122.376 125.114 -2.738 18942 3137 1 4 . 1 1 108 108 VAL C C 108 174.507 174.507 174.518 -0.011 18942 3138 1 4 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.283 -0.272 18942 3139 1 4 . 1 1 108 108 VAL CB C 108 36.923 36.923 35.203 1.720 18942 3140 1 4 . 1 1 108 108 VAL H H 108 8.940 8.940 8.788 0.152 18942 3141 1 4 . 1 1 109 109 MET N N 109 124.377 124.377 124.884 -0.507 18942 3142 1 4 . 1 1 109 109 MET C C 109 175.232 175.232 174.696 0.536 18942 3143 1 4 . 1 1 109 109 MET CA C 109 54.123 54.123 54.453 -0.330 18942 3144 1 4 . 1 1 109 109 MET CB C 109 39.360 39.360 35.798 3.562 18942 3145 1 4 . 1 1 109 109 MET H H 109 9.599 9.599 9.094 0.505 18942 3146 1 4 . 1 1 110 110 VAL N N 110 123.296 123.296 124.805 -1.509 18942 3147 1 4 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.870 -0.672 18942 3148 1 4 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.225 0.950 18942 3149 1 4 . 1 1 110 110 VAL H H 110 8.484 8.484 9.164 -0.680 18942 3150 1 4 . 1 1 111 111 ILE N N 111 128.689 128.689 127.975 0.714 18942 3151 1 4 . 1 1 111 111 ILE C C 111 173.965 173.965 174.569 -0.604 18942 3152 1 4 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.861 1.476 18942 3153 1 4 . 1 1 111 111 ILE CB C 111 41.289 41.289 40.772 0.517 18942 3154 1 4 . 1 1 111 111 ILE H H 111 9.330 9.330 8.676 0.654 18942 3155 1 4 . 1 1 112 112 VAL N N 112 127.498 127.498 127.269 0.229 18942 3156 1 4 . 1 1 112 112 VAL C C 112 174.932 174.932 174.467 0.465 18942 3157 1 4 . 1 1 112 112 VAL CA C 112 60.642 60.642 59.714 0.928 18942 3158 1 4 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.242 -1.052 18942 3159 1 4 . 1 1 112 112 VAL H H 112 8.376 8.376 8.402 -0.026 18942 3160 1 4 . 1 1 113 113 THR N N 113 116.756 116.756 122.020 -5.264 18942 3161 1 4 . 1 1 113 113 THR C C 113 170.881 170.881 173.715 -2.834 18942 3162 1 4 . 1 1 113 113 THR CA C 113 60.693 60.693 61.483 -0.790 18942 3163 1 4 . 1 1 113 113 THR CB C 113 67.772 67.772 72.012 -4.240 18942 3164 1 4 . 1 1 113 113 THR H H 113 8.521 8.521 8.793 -0.272 18942 3165 1 4 . 1 1 114 114 ASP N N 114 122.719 122.719 122.188 0.531 18942 3166 1 4 . 1 1 114 114 ASP C C 114 177.015 177.015 176.586 0.429 18942 3167 1 4 . 1 1 114 114 ASP CA C 114 54.041 54.041 54.187 -0.145 18942 3168 1 4 . 1 1 114 114 ASP CB C 114 42.671 42.671 41.713 0.958 18942 3169 1 4 . 1 1 114 114 ASP H H 114 7.341 7.341 8.900 -1.559 18942 3170 1 4 . 1 1 115 115 GLY N N 115 103.370 103.370 108.705 -5.335 18942 3171 1 4 . 1 1 115 115 GLY C C 115 171.751 171.751 172.769 -1.018 18942 3172 1 4 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.084 1.586 18942 3173 1 4 . 1 1 115 115 GLY H H 115 7.312 7.312 8.177 -0.865 18942 3174 1 4 . 1 1 116 116 GLU N N 116 120.631 120.631 120.432 0.199 18942 3175 1 4 . 1 1 116 116 GLU C C 116 175.037 175.037 174.921 0.116 18942 3176 1 4 . 1 1 116 116 GLU CA C 116 54.252 54.252 56.076 -1.824 18942 3177 1 4 . 1 1 116 116 GLU CB C 116 27.313 27.313 31.456 -4.143 18942 3178 1 4 . 1 1 116 116 GLU H H 116 7.332 7.332 8.232 -0.900 18942 3179 1 4 . 1 1 117 117 SER N N 117 116.730 116.730 121.847 -5.117 18942 3180 1 4 . 1 1 117 117 SER C C 117 176.356 176.356 173.832 2.524 18942 3181 1 4 . 1 1 117 117 SER CA C 117 57.832 57.832 57.499 0.333 18942 3182 1 4 . 1 1 117 117 SER CB C 117 66.407 66.407 62.165 4.242 18942 3183 1 4 . 1 1 117 117 SER H H 117 7.964 7.964 8.476 -0.512 18942 3184 1 4 . 1 1 118 118 HIS N N 118 115.543 115.543 120.784 -5.241 18942 3185 1 4 . 1 1 118 118 HIS C C 118 176.602 176.602 175.177 1.425 18942 3186 1 4 . 1 1 118 118 HIS CA C 118 59.291 59.291 59.246 0.045 18942 3187 1 4 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.357 2.462 18942 3188 1 4 . 1 1 118 118 HIS H H 118 9.274 9.274 7.900 1.374 18942 3189 1 4 . 1 1 119 119 ASP N N 119 120.197 120.197 116.722 3.475 18942 3190 1 4 . 1 1 119 119 ASP CA C 119 52.565 52.565 52.827 -0.262 18942 3191 1 4 . 1 1 119 119 ASP CB C 119 40.309 40.309 40.736 -0.428 18942 3192 1 4 . 1 1 119 119 ASP H H 119 8.160 8.160 8.302 -0.142 18942 3193 1 4 . 1 1 120 120 ASN CA C 120 56.154 56.154 54.708 1.446 18942 3194 1 4 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.086 0.053 18942 3195 1 4 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.003 -1.532 18942 3196 1 4 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.729 -0.219 18942 3197 1 4 . 1 1 122 122 ARG N N 122 117.636 117.636 118.691 -1.055 18942 3198 1 4 . 1 1 122 122 ARG CA C 122 55.611 55.611 58.539 -2.928 18942 3199 1 4 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.264 1.522 18942 3200 1 4 . 1 1 122 122 ARG H H 122 7.299 7.299 9.341 -2.042 18942 3201 1 4 . 1 1 123 123 LEU N N 123 119.507 119.507 122.298 -2.791 18942 3202 1 4 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.376 0.095 18942 3203 1 4 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.397 0.779 18942 3204 1 4 . 1 1 123 123 LEU H H 123 7.065 7.065 7.692 -0.627 18942 3205 1 4 . 1 1 124 124 LYS N N 124 116.723 116.723 117.628 -0.905 18942 3206 1 4 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.749 0.724 18942 3207 1 4 . 1 1 124 124 LYS CB C 124 31.875 31.875 32.030 -0.155 18942 3208 1 4 . 1 1 124 124 LYS H H 124 8.426 8.426 7.822 0.604 18942 3209 1 4 . 1 1 125 125 LYS N N 125 119.329 119.329 120.267 -0.938 18942 3210 1 4 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.512 -0.160 18942 3211 1 4 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.111 -0.627 18942 3212 1 4 . 1 1 125 125 LYS H H 125 7.746 7.746 7.293 0.453 18942 3213 1 4 . 1 1 126 126 VAL N N 126 117.688 117.688 120.521 -2.833 18942 3214 1 4 . 1 1 126 126 VAL C C 126 178.187 178.187 178.556 -0.369 18942 3215 1 4 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.696 -0.554 18942 3216 1 4 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.706 0.270 18942 3217 1 4 . 1 1 126 126 VAL H H 126 7.450 7.450 8.552 -1.102 18942 3218 1 4 . 1 1 127 127 ILE N N 127 120.125 120.125 120.541 -0.416 18942 3219 1 4 . 1 1 127 127 ILE C C 127 178.008 178.008 177.721 0.287 18942 3220 1 4 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.687 -1.404 18942 3221 1 4 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.523 -2.154 18942 3222 1 4 . 1 1 127 127 ILE H H 127 8.653 8.653 8.219 0.434 18942 3223 1 4 . 1 1 128 128 GLN N N 128 121.110 121.110 119.274 1.836 18942 3224 1 4 . 1 1 128 128 GLN C C 128 178.258 178.258 178.329 -0.071 18942 3225 1 4 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.284 -0.487 18942 3226 1 4 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.419 -0.914 18942 3227 1 4 . 1 1 128 128 GLN H H 128 8.009 8.009 7.897 0.112 18942 3228 1 4 . 1 1 129 129 ASP N N 129 119.024 119.024 121.136 -2.112 18942 3229 1 4 . 1 1 129 129 ASP C C 129 179.705 179.705 178.578 1.127 18942 3230 1 4 . 1 1 129 129 ASP CA C 129 58.062 58.062 58.004 0.058 18942 3231 1 4 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.826 -1.049 18942 3232 1 4 . 1 1 129 129 ASP H H 129 8.428 8.428 8.230 0.198 18942 3233 1 4 . 1 1 130 130 CYS N N 130 115.536 115.536 117.844 -2.308 18942 3234 1 4 . 1 1 130 130 CYS C C 130 176.824 176.824 176.143 0.681 18942 3235 1 4 . 1 1 130 130 CYS CA C 130 64.211 64.211 63.308 0.903 18942 3236 1 4 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.520 0.251 18942 3237 1 4 . 1 1 130 130 CYS H H 130 7.608 7.608 8.334 -0.726 18942 3238 1 4 . 1 1 131 131 GLU N N 131 123.098 123.098 121.390 1.708 18942 3239 1 4 . 1 1 131 131 GLU C C 131 180.904 180.904 177.973 2.931 18942 3240 1 4 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.292 -0.282 18942 3241 1 4 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.514 -0.096 18942 3242 1 4 . 1 1 131 131 GLU H H 131 8.538 8.538 7.978 0.560 18942 3243 1 4 . 1 1 132 132 ASP N N 132 121.058 121.058 118.734 2.324 18942 3244 1 4 . 1 1 132 132 ASP C C 132 177.666 177.666 178.315 -0.649 18942 3245 1 4 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.523 0.479 18942 3246 1 4 . 1 1 132 132 ASP CB C 132 40.439 40.439 41.021 -0.582 18942 3247 1 4 . 1 1 132 132 ASP H H 132 8.844 8.844 7.770 1.074 18942 3248 1 4 . 1 1 133 133 GLU N N 133 116.312 116.312 116.162 0.150 18942 3249 1 4 . 1 1 133 133 GLU C C 133 174.841 174.841 175.930 -1.089 18942 3250 1 4 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.750 -0.452 18942 3251 1 4 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.067 0.200 18942 3252 1 4 . 1 1 133 133 GLU H H 133 6.997 6.997 7.724 -0.727 18942 3253 1 4 . 1 1 134 134 ASN N N 134 113.879 113.879 115.460 -1.581 18942 3254 1 4 . 1 1 134 134 ASN C C 134 174.994 174.994 174.419 0.575 18942 3255 1 4 . 1 1 134 134 ASN CA C 134 54.449 54.449 54.227 0.222 18942 3256 1 4 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.809 0.338 18942 3257 1 4 . 1 1 134 134 ASN H H 134 8.069 8.069 7.808 0.261 18942 3258 1 4 . 1 1 135 135 ILE N N 135 118.502 118.502 119.347 -0.845 18942 3259 1 4 . 1 1 135 135 ILE C C 135 175.226 175.226 175.947 -0.721 18942 3260 1 4 . 1 1 135 135 ILE CA C 135 61.286 61.286 62.065 -0.779 18942 3261 1 4 . 1 1 135 135 ILE CB C 135 39.056 39.056 38.548 0.508 18942 3262 1 4 . 1 1 135 135 ILE H H 135 7.583 7.583 8.112 -0.529 18942 3263 1 4 . 1 1 136 136 GLN N N 136 131.359 131.359 125.974 5.385 18942 3264 1 4 . 1 1 136 136 GLN C C 136 174.743 174.743 174.357 0.386 18942 3265 1 4 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.084 1.004 18942 3266 1 4 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.643 0.742 18942 3267 1 4 . 1 1 136 136 GLN H H 136 7.950 7.950 8.253 -0.303 18942 3268 1 4 . 1 1 137 137 ARG N N 137 124.191 124.191 123.555 0.636 18942 3269 1 4 . 1 1 137 137 ARG C C 137 175.598 175.598 175.052 0.546 18942 3270 1 4 . 1 1 137 137 ARG CA C 137 54.853 54.853 54.736 0.117 18942 3271 1 4 . 1 1 137 137 ARG CB C 137 31.120 31.120 33.151 -2.031 18942 3272 1 4 . 1 1 137 137 ARG H H 137 9.182 9.182 8.325 0.857 18942 3273 1 4 . 1 1 138 138 PHE N N 138 121.323 121.323 121.352 -0.029 18942 3274 1 4 . 1 1 138 138 PHE C C 138 175.241 175.241 174.806 0.435 18942 3275 1 4 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.173 0.468 18942 3276 1 4 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.289 0.104 18942 3277 1 4 . 1 1 138 138 PHE H H 138 9.214 9.214 8.460 0.754 18942 3278 1 4 . 1 1 139 139 SER N N 139 118.044 118.044 118.681 -0.637 18942 3279 1 4 . 1 1 139 139 SER C C 139 171.137 171.137 173.223 -2.086 18942 3280 1 4 . 1 1 139 139 SER CA C 139 55.777 55.777 57.695 -1.918 18942 3281 1 4 . 1 1 139 139 SER CB C 139 66.783 66.783 64.036 2.747 18942 3282 1 4 . 1 1 139 139 SER H H 139 9.601 9.601 8.648 0.953 18942 3283 1 4 . 1 1 140 140 ILE N N 140 123.236 123.236 124.089 -0.853 18942 3284 1 4 . 1 1 140 140 ILE C C 140 174.822 174.822 174.244 0.578 18942 3285 1 4 . 1 1 140 140 ILE CA C 140 56.556 56.556 57.991 -1.435 18942 3286 1 4 . 1 1 140 140 ILE CB C 140 37.629 37.629 38.677 -1.048 18942 3287 1 4 . 1 1 140 140 ILE H H 140 9.066 9.066 8.689 0.377 18942 3288 1 4 . 1 1 141 141 ALA N N 141 125.375 125.375 129.238 -3.863 18942 3289 1 4 . 1 1 141 141 ALA C C 141 177.131 177.131 175.415 1.716 18942 3290 1 4 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.432 1.685 18942 3291 1 4 . 1 1 141 141 ALA CB C 141 21.403 21.403 22.127 -0.724 18942 3292 1 4 . 1 1 141 141 ALA H H 141 8.790 8.790 8.776 0.014 18942 3293 1 4 . 1 1 142 142 ILE N N 142 123.744 123.744 124.899 -1.155 18942 3294 1 4 . 1 1 142 142 ILE C C 142 174.758 174.758 173.831 0.927 18942 3295 1 4 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.997 -1.804 18942 3296 1 4 . 1 1 142 142 ILE CB C 142 39.082 39.082 40.499 -1.417 18942 3297 1 4 . 1 1 142 142 ILE H H 142 7.973 7.973 7.928 0.045 18942 3298 1 4 . 1 1 143 143 LEU N N 143 123.041 123.041 125.137 -2.096 18942 3299 1 4 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.932 1.040 18942 3300 1 4 . 1 1 143 143 LEU CB C 143 43.790 43.790 44.790 -1.000 18942 3301 1 4 . 1 1 143 143 LEU H H 143 8.019 8.019 7.941 0.078 18942 3302 1 4 . 1 1 144 144 GLY N N 144 108.993 108.993 105.123 3.870 18942 3303 1 4 . 1 1 144 144 GLY CA C 144 46.239 46.239 43.883 2.356 18942 3304 1 4 . 1 1 144 144 GLY H H 144 8.581 8.581 7.950 0.631 18942 3305 1 4 . 1 1 145 145 SER N N 145 114.953 114.953 113.603 1.350 18942 3306 1 4 . 1 1 145 145 SER CA C 145 58.614 58.614 59.032 -0.418 18942 3307 1 4 . 1 1 145 145 SER CB C 145 63.966 63.966 63.725 0.241 18942 3308 1 4 . 1 1 145 145 SER H H 145 8.589 8.589 8.320 0.269 18942 3309 1 4 . 1 1 146 146 TYR N N 146 117.249 117.249 124.194 -6.945 18942 3310 1 4 . 1 1 146 146 TYR CA C 146 56.684 56.684 58.048 -1.364 18942 3311 1 4 . 1 1 146 146 TYR CB C 146 39.174 39.174 37.044 2.130 18942 3312 1 4 . 1 1 146 146 TYR H H 146 7.476 7.476 7.964 -0.488 18942 3313 1 4 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.005 0.881 18942 3314 1 4 . 1 1 147 147 ASN CB C 147 38.657 38.657 40.953 -2.296 18942 3315 1 4 . 1 1 148 148 ARG N N 148 123.288 123.288 119.734 3.554 18942 3316 1 4 . 1 1 148 148 ARG CA C 148 55.535 55.535 56.343 -0.808 18942 3317 1 4 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.759 0.005 18942 3318 1 4 . 1 1 148 148 ARG H H 148 8.404 8.404 8.677 -0.273 18942 3319 1 4 . 1 1 149 149 GLY N N 149 107.339 107.339 109.682 -2.343 18942 3320 1 4 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.284 1.645 18942 3321 1 4 . 1 1 149 149 GLY H H 149 8.224 8.224 7.931 0.293 18942 3322 1 4 . 1 1 150 150 ASN N N 150 119.090 119.090 119.593 -0.503 18942 3323 1 4 . 1 1 150 150 ASN C C 150 175.341 175.341 175.610 -0.269 18942 3324 1 4 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.404 0.983 18942 3325 1 4 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.358 1.348 18942 3326 1 4 . 1 1 150 150 ASN H H 150 8.309 8.309 8.617 -0.308 18942 3327 1 4 . 1 1 151 151 LEU N N 151 121.177 121.177 119.898 1.279 18942 3328 1 4 . 1 1 151 151 LEU C C 151 177.527 177.527 176.502 1.025 18942 3329 1 4 . 1 1 151 151 LEU CA C 151 55.737 55.737 55.397 0.340 18942 3330 1 4 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.395 0.278 18942 3331 1 4 . 1 1 151 151 LEU H H 151 7.929 7.929 7.584 0.345 18942 3332 1 4 . 1 1 152 152 SER N N 152 115.325 115.325 113.094 2.231 18942 3333 1 4 . 1 1 152 152 SER C C 152 175.354 175.354 174.864 0.490 18942 3334 1 4 . 1 1 152 152 SER CA C 152 57.739 57.739 58.521 -0.782 18942 3335 1 4 . 1 1 152 152 SER CB C 152 63.247 63.247 61.749 1.498 18942 3336 1 4 . 1 1 152 152 SER H H 152 8.185 8.185 8.087 0.098 18942 3337 1 4 . 1 1 153 153 THR N N 153 115.287 115.287 116.634 -1.347 18942 3338 1 4 . 1 1 153 153 THR C C 153 175.758 175.758 175.765 -0.007 18942 3339 1 4 . 1 1 153 153 THR CA C 153 63.577 63.577 66.019 -2.442 18942 3340 1 4 . 1 1 153 153 THR CB C 153 69.280 69.280 68.628 0.652 18942 3341 1 4 . 1 1 153 153 THR H H 153 8.134 8.134 8.449 -0.315 18942 3342 1 4 . 1 1 154 154 GLU N N 154 121.501 121.501 121.566 -0.065 18942 3343 1 4 . 1 1 154 154 GLU C C 154 178.589 178.589 178.294 0.295 18942 3344 1 4 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.800 1.178 18942 3345 1 4 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.428 0.920 18942 3346 1 4 . 1 1 154 154 GLU H H 154 8.342 8.342 8.488 -0.146 18942 3347 1 4 . 1 1 155 155 LYS N N 155 117.473 117.473 119.131 -1.658 18942 3348 1 4 . 1 1 155 155 LYS C C 155 179.039 179.039 179.094 -0.055 18942 3349 1 4 . 1 1 155 155 LYS CA C 155 58.776 58.776 58.252 0.524 18942 3350 1 4 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.998 -0.155 18942 3351 1 4 . 1 1 155 155 LYS H H 155 7.752 7.752 7.473 0.279 18942 3352 1 4 . 1 1 156 156 PHE N N 156 120.254 120.254 118.071 2.183 18942 3353 1 4 . 1 1 156 156 PHE C C 156 178.765 178.765 177.915 0.850 18942 3354 1 4 . 1 1 156 156 PHE CA C 156 57.339 57.339 58.980 -1.641 18942 3355 1 4 . 1 1 156 156 PHE CB C 156 37.037 37.037 38.980 -1.944 18942 3356 1 4 . 1 1 156 156 PHE H H 156 7.072 7.072 7.282 -0.210 18942 3357 1 4 . 1 1 157 157 VAL N N 157 118.268 118.268 116.595 1.673 18942 3358 1 4 . 1 1 157 157 VAL C C 157 177.861 177.861 177.500 0.361 18942 3359 1 4 . 1 1 157 157 VAL CA C 157 67.455 67.455 64.992 2.463 18942 3360 1 4 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.371 0.492 18942 3361 1 4 . 1 1 157 157 VAL H H 157 8.007 8.007 7.997 0.010 18942 3362 1 4 . 1 1 158 158 GLU N N 158 117.100 117.100 120.871 -3.771 18942 3363 1 4 . 1 1 158 158 GLU C C 158 179.377 179.377 178.328 1.049 18942 3364 1 4 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.574 -0.083 18942 3365 1 4 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.907 0.440 18942 3366 1 4 . 1 1 158 158 GLU H H 158 7.875 7.875 8.401 -0.526 18942 3367 1 4 . 1 1 159 159 GLU N N 159 119.959 119.959 117.783 2.176 18942 3368 1 4 . 1 1 159 159 GLU C C 159 179.622 179.622 177.842 1.780 18942 3369 1 4 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.174 2.177 18942 3370 1 4 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.267 0.091 18942 3371 1 4 . 1 1 159 159 GLU H H 159 7.746 7.746 7.839 -0.093 18942 3372 1 4 . 1 1 160 160 ILE N N 160 119.530 119.530 119.914 -0.384 18942 3373 1 4 . 1 1 160 160 ILE C C 160 180.262 180.262 177.851 2.411 18942 3374 1 4 . 1 1 160 160 ILE CA C 160 66.305 66.305 62.917 3.388 18942 3375 1 4 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.567 0.752 18942 3376 1 4 . 1 1 160 160 ILE H H 160 8.094 8.094 7.393 0.701 18942 3377 1 4 . 1 1 161 161 LYS N N 161 121.437 121.437 121.539 -0.102 18942 3378 1 4 . 1 1 161 161 LYS C C 161 178.518 178.518 178.642 -0.124 18942 3379 1 4 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.164 1.492 18942 3380 1 4 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.356 1.245 18942 3381 1 4 . 1 1 161 161 LYS H H 161 8.500 8.500 8.279 0.221 18942 3382 1 4 . 1 1 162 162 SER N N 162 113.380 113.380 115.649 -2.269 18942 3383 1 4 . 1 1 162 162 SER C C 162 174.773 174.773 175.478 -0.705 18942 3384 1 4 . 1 1 162 162 SER CA C 162 61.208 61.208 61.080 0.128 18942 3385 1 4 . 1 1 162 162 SER CB C 162 62.725 62.725 62.574 0.151 18942 3386 1 4 . 1 1 162 162 SER H H 162 7.653 7.653 7.704 -0.051 18942 3387 1 4 . 1 1 163 163 ILE N N 163 121.115 121.115 119.670 1.445 18942 3388 1 4 . 1 1 163 163 ILE C C 163 175.371 175.371 175.925 -0.554 18942 3389 1 4 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.385 -0.531 18942 3390 1 4 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.150 1.487 18942 3391 1 4 . 1 1 163 163 ILE H H 163 7.068 7.068 7.257 -0.189 18942 3392 1 4 . 1 1 164 164 ALA N N 164 120.332 120.332 122.172 -1.840 18942 3393 1 4 . 1 1 164 164 ALA C C 164 178.713 178.713 176.951 1.762 18942 3394 1 4 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.439 1.114 18942 3395 1 4 . 1 1 164 164 ALA CB C 164 19.820 19.820 18.302 1.518 18942 3396 1 4 . 1 1 164 164 ALA H H 164 6.801 6.801 7.566 -0.765 18942 3397 1 4 . 1 1 165 165 SER N N 165 120.959 120.959 119.876 1.083 18942 3398 1 4 . 1 1 165 165 SER C C 165 171.079 171.079 175.232 -4.153 18942 3399 1 4 . 1 1 165 165 SER CA C 165 61.464 61.464 59.813 1.651 18942 3400 1 4 . 1 1 165 165 SER CB C 165 61.858 61.858 63.657 -1.799 18942 3401 1 4 . 1 1 165 165 SER H H 165 8.656 8.656 8.380 0.276 18942 3402 1 4 . 1 1 166 166 GLU N N 166 116.428 116.428 121.718 -5.290 18942 3403 1 4 . 1 1 166 166 GLU CA C 166 54.147 54.147 53.877 0.270 18942 3404 1 4 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.298 0.759 18942 3405 1 4 . 1 1 166 166 GLU H H 166 7.949 7.949 7.829 0.120 18942 3406 1 4 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.732 -1.948 18942 3407 1 4 . 1 1 167 167 PRO CB C 167 34.469 34.469 31.944 2.525 18942 3408 1 4 . 1 1 168 168 THR C C 168 176.433 176.433 176.604 -0.171 18942 3409 1 4 . 1 1 168 168 THR CA C 168 67.606 67.606 65.863 1.743 18942 3410 1 4 . 1 1 168 168 THR CB C 168 69.086 69.086 68.821 0.265 18942 3411 1 4 . 1 1 169 169 GLU N N 169 118.116 118.116 119.500 -1.384 18942 3412 1 4 . 1 1 169 169 GLU C C 169 177.434 177.434 177.282 0.152 18942 3413 1 4 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.087 0.862 18942 3414 1 4 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.541 -0.970 18942 3415 1 4 . 1 1 169 169 GLU H H 169 9.598 9.598 8.683 0.915 18942 3416 1 4 . 1 1 170 170 LYS N N 170 114.965 114.965 113.919 1.046 18942 3417 1 4 . 1 1 170 170 LYS C C 170 173.967 173.967 176.368 -2.401 18942 3418 1 4 . 1 1 170 170 LYS CA C 170 56.221 56.221 56.429 -0.208 18942 3419 1 4 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.995 0.819 18942 3420 1 4 . 1 1 170 170 LYS H H 170 7.300 7.300 7.567 -0.267 18942 3421 1 4 . 1 1 171 171 HIS N N 171 112.017 112.017 116.778 -4.761 18942 3422 1 4 . 1 1 171 171 HIS C C 171 171.860 171.860 173.077 -1.217 18942 3423 1 4 . 1 1 171 171 HIS CA C 171 57.840 57.840 56.981 0.859 18942 3424 1 4 . 1 1 171 171 HIS CB C 171 33.695 33.695 34.056 -0.361 18942 3425 1 4 . 1 1 171 171 HIS H H 171 7.198 7.198 8.053 -0.855 18942 3426 1 4 . 1 1 172 172 PHE N N 172 121.188 121.188 121.667 -0.479 18942 3427 1 4 . 1 1 172 172 PHE C C 172 172.383 172.383 173.048 -0.665 18942 3428 1 4 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.037 -0.827 18942 3429 1 4 . 1 1 172 172 PHE CB C 172 41.412 41.412 41.366 0.046 18942 3430 1 4 . 1 1 172 172 PHE H H 172 7.342 7.342 8.506 -1.164 18942 3431 1 4 . 1 1 173 173 PHE N N 173 120.855 120.855 123.472 -2.617 18942 3432 1 4 . 1 1 173 173 PHE C C 173 173.751 173.751 172.706 1.045 18942 3433 1 4 . 1 1 173 173 PHE CA C 173 55.895 55.895 55.522 0.373 18942 3434 1 4 . 1 1 173 173 PHE CB C 173 45.217 45.217 40.654 4.563 18942 3435 1 4 . 1 1 173 173 PHE H H 173 8.012 8.012 7.880 0.132 18942 3436 1 4 . 1 1 174 174 ASN N N 174 118.624 118.624 117.923 0.701 18942 3437 1 4 . 1 1 174 174 ASN C C 174 176.826 176.826 176.953 -0.127 18942 3438 1 4 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.470 0.828 18942 3439 1 4 . 1 1 174 174 ASN CB C 174 40.549 40.549 39.954 0.595 18942 3440 1 4 . 1 1 174 174 ASN H H 174 8.760 8.760 8.545 0.215 18942 3441 1 4 . 1 1 175 175 VAL N N 175 122.779 122.779 122.266 0.513 18942 3442 1 4 . 1 1 175 175 VAL C C 175 174.743 174.743 176.190 -1.447 18942 3443 1 4 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.329 -0.786 18942 3444 1 4 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.411 0.670 18942 3445 1 4 . 1 1 175 175 VAL H H 175 8.349 8.349 8.134 0.215 18942 3446 1 4 . 1 1 176 176 SER N N 176 111.983 111.983 109.273 2.710 18942 3447 1 4 . 1 1 176 176 SER C C 176 174.583 174.583 173.883 0.700 18942 3448 1 4 . 1 1 176 176 SER CA C 176 57.972 57.972 58.798 -0.826 18942 3449 1 4 . 1 1 176 176 SER CB C 176 63.722 63.722 63.307 0.415 18942 3450 1 4 . 1 1 176 176 SER H H 176 7.933 7.933 7.939 -0.006 18942 3451 1 4 . 1 1 177 177 ASP N N 177 122.321 122.321 122.474 -0.153 18942 3452 1 4 . 1 1 177 177 ASP C C 177 178.008 178.008 175.730 2.278 18942 3453 1 4 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.027 1.288 18942 3454 1 4 . 1 1 177 177 ASP CB C 177 41.687 41.687 41.801 -0.114 18942 3455 1 4 . 1 1 177 177 ASP H H 177 7.696 7.696 7.472 0.224 18942 3456 1 4 . 1 1 178 178 GLU N N 178 128.610 128.610 125.307 3.303 18942 3457 1 4 . 1 1 178 178 GLU C C 178 177.787 177.787 177.293 0.494 18942 3458 1 4 . 1 1 178 178 GLU CA C 178 59.124 59.124 57.242 1.882 18942 3459 1 4 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.051 0.673 18942 3460 1 4 . 1 1 178 178 GLU H H 178 9.211 9.211 8.782 0.429 18942 3461 1 4 . 1 1 179 179 LEU N N 179 117.532 117.532 120.561 -3.029 18942 3462 1 4 . 1 1 179 179 LEU C C 179 178.646 178.646 177.499 1.147 18942 3463 1 4 . 1 1 179 179 LEU CA C 179 55.075 55.075 55.866 -0.791 18942 3464 1 4 . 1 1 179 179 LEU CB C 179 41.784 41.784 42.204 -0.420 18942 3465 1 4 . 1 1 179 179 LEU H H 179 8.683 8.683 8.247 0.436 18942 3466 1 4 . 1 1 180 180 ALA N N 180 123.387 123.387 122.096 1.291 18942 3467 1 4 . 1 1 180 180 ALA C C 180 178.175 178.175 178.879 -0.704 18942 3468 1 4 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.444 1.513 18942 3469 1 4 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.581 1.740 18942 3470 1 4 . 1 1 180 180 ALA H H 180 7.627 7.627 7.663 -0.036 18942 3471 1 4 . 1 1 181 181 LEU N N 181 114.375 114.375 117.876 -3.501 18942 3472 1 4 . 1 1 181 181 LEU C C 181 178.681 178.681 178.718 -0.037 18942 3473 1 4 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.262 0.870 18942 3474 1 4 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.442 -0.304 18942 3475 1 4 . 1 1 181 181 LEU H H 181 7.638 7.638 7.437 0.201 18942 3476 1 4 . 1 1 182 182 VAL N N 182 113.683 113.683 118.734 -5.051 18942 3477 1 4 . 1 1 182 182 VAL C C 182 178.401 178.401 177.617 0.784 18942 3478 1 4 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.391 -1.216 18942 3479 1 4 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.399 0.576 18942 3480 1 4 . 1 1 182 182 VAL H H 182 7.448 7.448 7.627 -0.179 18942 3481 1 4 . 1 1 183 183 THR N N 183 116.081 116.081 117.625 -1.544 18942 3482 1 4 . 1 1 183 183 THR C C 183 176.701 176.701 176.643 0.058 18942 3483 1 4 . 1 1 183 183 THR CA C 183 66.999 66.999 66.737 0.262 18942 3484 1 4 . 1 1 183 183 THR CB C 183 67.885 67.885 68.545 -0.660 18942 3485 1 4 . 1 1 183 183 THR H H 183 7.527 7.527 7.473 0.054 18942 3486 1 4 . 1 1 184 184 ILE N N 184 124.157 124.157 122.191 1.966 18942 3487 1 4 . 1 1 184 184 ILE C C 184 177.072 177.072 176.839 0.233 18942 3488 1 4 . 1 1 184 184 ILE CA C 184 66.514 66.514 63.073 3.441 18942 3489 1 4 . 1 1 184 184 ILE CB C 184 38.229 38.229 37.588 0.641 18942 3490 1 4 . 1 1 184 184 ILE H H 184 8.406 8.406 8.014 0.392 18942 3491 1 4 . 1 1 185 185 VAL N N 185 115.165 115.165 120.683 -5.518 18942 3492 1 4 . 1 1 185 185 VAL C C 185 178.544 178.544 177.926 0.618 18942 3493 1 4 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.980 0.022 18942 3494 1 4 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.354 -0.348 18942 3495 1 4 . 1 1 185 185 VAL H H 185 7.429 7.429 7.463 -0.034 18942 3496 1 4 . 1 1 186 186 LYS N N 186 119.326 119.326 118.734 0.592 18942 3497 1 4 . 1 1 186 186 LYS C C 186 179.109 179.109 178.714 0.395 18942 3498 1 4 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.161 0.335 18942 3499 1 4 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.005 0.861 18942 3500 1 4 . 1 1 186 186 LYS H H 186 7.659 7.659 8.245 -0.586 18942 3501 1 4 . 1 1 187 187 THR N N 187 116.582 116.582 114.846 1.736 18942 3502 1 4 . 1 1 187 187 THR C C 187 177.056 177.056 176.896 0.160 18942 3503 1 4 . 1 1 187 187 THR CA C 187 66.358 66.358 65.510 0.848 18942 3504 1 4 . 1 1 187 187 THR CB C 187 69.105 69.105 69.068 0.037 18942 3505 1 4 . 1 1 187 187 THR H H 187 8.377 8.377 7.493 0.884 18942 3506 1 4 . 1 1 188 188 LEU N N 188 121.469 121.469 120.459 1.010 18942 3507 1 4 . 1 1 188 188 LEU C C 188 178.177 178.177 178.233 -0.056 18942 3508 1 4 . 1 1 188 188 LEU CA C 188 57.524 57.524 56.377 1.147 18942 3509 1 4 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.846 0.470 18942 3510 1 4 . 1 1 188 188 LEU H H 188 8.262 8.262 8.118 0.144 18942 3511 1 4 . 1 1 189 189 GLY N N 189 104.655 104.655 105.145 -0.490 18942 3512 1 4 . 1 1 189 189 GLY C C 189 174.400 174.400 174.925 -0.525 18942 3513 1 4 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.057 0.910 18942 3514 1 4 . 1 1 189 189 GLY H H 189 7.898 7.898 7.606 0.292 18942 3515 1 4 . 1 1 190 190 GLU N N 190 119.430 119.430 119.999 -0.569 18942 3516 1 4 . 1 1 190 190 GLU C C 190 176.344 176.344 176.727 -0.383 18942 3517 1 4 . 1 1 190 190 GLU CA C 190 56.871 56.871 54.937 1.934 18942 3518 1 4 . 1 1 190 190 GLU CB C 190 30.653 30.653 31.023 -0.370 18942 3519 1 4 . 1 1 190 190 GLU H H 190 7.630 7.630 7.475 0.155 18942 3520 1 4 . 1 1 191 191 ARG N N 191 121.191 121.191 119.886 1.305 18942 3521 1 4 . 1 1 191 191 ARG C C 191 175.205 175.205 176.555 -1.350 18942 3522 1 4 . 1 1 191 191 ARG CA C 191 56.061 56.061 58.038 -1.977 18942 3523 1 4 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.442 0.415 18942 3524 1 4 . 1 1 191 191 ARG H H 191 8.126 8.126 8.707 -0.581 18942 3525 1 5 . 1 1 2 2 THR N N 2 115.468 115.468 122.002 -6.534 18942 3526 1 5 . 1 1 2 2 THR C C 2 174.211 174.211 173.659 0.552 18942 3527 1 5 . 1 1 2 2 THR CA C 2 61.939 61.939 61.627 0.312 18942 3528 1 5 . 1 1 2 2 THR CB C 2 70.018 70.018 69.093 0.925 18942 3529 1 5 . 1 1 2 2 THR H H 2 8.002 8.002 8.773 -0.771 18942 3530 1 5 . 1 1 3 3 GLN N N 3 122.804 122.804 127.216 -4.412 18942 3531 1 5 . 1 1 3 3 GLN C C 3 174.443 174.443 174.333 0.110 18942 3532 1 5 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.701 0.859 18942 3533 1 5 . 1 1 3 3 GLN CB C 3 30.049 30.049 30.029 0.020 18942 3534 1 5 . 1 1 3 3 GLN H H 3 8.225 8.225 8.674 -0.449 18942 3535 1 5 . 1 1 4 4 LEU N N 4 120.941 120.941 120.836 0.105 18942 3536 1 5 . 1 1 4 4 LEU C C 4 174.867 174.867 174.822 0.045 18942 3537 1 5 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.193 0.307 18942 3538 1 5 . 1 1 4 4 LEU CB C 4 47.427 47.427 44.682 2.745 18942 3539 1 5 . 1 1 4 4 LEU H H 4 6.832 6.832 8.242 -1.410 18942 3540 1 5 . 1 1 5 5 ASP N N 5 125.936 125.936 121.792 4.144 18942 3541 1 5 . 1 1 5 5 ASP C C 5 173.417 173.417 174.867 -1.450 18942 3542 1 5 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.477 0.130 18942 3543 1 5 . 1 1 5 5 ASP CB C 5 42.393 42.393 41.468 0.925 18942 3544 1 5 . 1 1 5 5 ASP H H 5 8.760 8.760 8.664 0.096 18942 3545 1 5 . 1 1 6 6 ILE N N 6 122.489 122.489 124.529 -2.040 18942 3546 1 5 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.811 0.307 18942 3547 1 5 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.334 -1.540 18942 3548 1 5 . 1 1 6 6 ILE H H 6 8.897 8.897 8.546 0.351 18942 3549 1 5 . 1 1 7 7 VAL N N 7 124.979 124.979 126.600 -1.621 18942 3550 1 5 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.405 0.661 18942 3551 1 5 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.843 -1.681 18942 3552 1 5 . 1 1 7 7 VAL H H 7 9.009 9.009 8.730 0.279 18942 3553 1 5 . 1 1 8 8 ILE N N 8 127.861 127.861 127.587 0.274 18942 3554 1 5 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.347 1.494 18942 3555 1 5 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.414 -0.398 18942 3556 1 5 . 1 1 8 8 ILE H H 8 8.758 8.758 9.221 -0.463 18942 3557 1 5 . 1 1 9 9 VAL N N 9 129.205 129.205 128.455 0.750 18942 3558 1 5 . 1 1 9 9 VAL C C 9 173.949 173.949 175.031 -1.082 18942 3559 1 5 . 1 1 9 9 VAL CA C 9 61.475 61.475 61.272 0.203 18942 3560 1 5 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.352 0.044 18942 3561 1 5 . 1 1 9 9 VAL H H 9 9.713 9.713 9.237 0.476 18942 3562 1 5 . 1 1 10 10 LEU N N 10 123.753 123.753 127.967 -4.214 18942 3563 1 5 . 1 1 10 10 LEU C C 10 174.175 174.175 174.646 -0.471 18942 3564 1 5 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.882 0.844 18942 3565 1 5 . 1 1 10 10 LEU CB C 10 44.609 44.609 44.642 -0.033 18942 3566 1 5 . 1 1 10 10 LEU H H 10 9.261 9.261 9.427 -0.166 18942 3567 1 5 . 1 1 11 11 ASP N N 11 125.333 125.333 119.869 5.464 18942 3568 1 5 . 1 1 11 11 ASP C C 11 174.405 174.405 176.806 -2.401 18942 3569 1 5 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.680 0.873 18942 3570 1 5 . 1 1 11 11 ASP CB C 11 41.590 41.590 42.985 -1.395 18942 3571 1 5 . 1 1 11 11 ASP H H 11 7.867 7.867 8.462 -0.595 18942 3572 1 5 . 1 1 12 12 GLY N N 12 113.584 113.584 112.214 1.370 18942 3573 1 5 . 1 1 12 12 GLY C C 12 176.010 176.010 174.771 1.239 18942 3574 1 5 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.259 0.455 18942 3575 1 5 . 1 1 12 12 GLY H H 12 8.825 8.825 8.390 0.435 18942 3576 1 5 . 1 1 13 13 SER N N 13 114.408 114.408 117.083 -2.675 18942 3577 1 5 . 1 1 13 13 SER C C 13 173.728 173.728 174.963 -1.235 18942 3578 1 5 . 1 1 13 13 SER CA C 13 58.607 58.607 60.433 -1.826 18942 3579 1 5 . 1 1 13 13 SER CB C 13 64.366 64.366 63.931 0.435 18942 3580 1 5 . 1 1 13 13 SER H H 13 8.668 8.668 8.478 0.190 18942 3581 1 5 . 1 1 14 14 ASN N N 14 117.122 117.122 120.714 -3.592 18942 3582 1 5 . 1 1 14 14 ASN C C 14 175.323 175.323 176.010 -0.687 18942 3583 1 5 . 1 1 14 14 ASN CA C 14 55.132 55.132 55.024 0.108 18942 3584 1 5 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.809 -1.074 18942 3585 1 5 . 1 1 14 14 ASN H H 14 8.800 8.800 8.954 -0.154 18942 3586 1 5 . 1 1 15 15 SER N N 15 109.840 109.840 112.531 -2.691 18942 3587 1 5 . 1 1 15 15 SER C C 15 175.252 175.252 174.768 0.484 18942 3588 1 5 . 1 1 15 15 SER CA C 15 60.352 60.352 59.064 1.288 18942 3589 1 5 . 1 1 15 15 SER CB C 15 62.281 62.281 63.475 -1.194 18942 3590 1 5 . 1 1 15 15 SER H H 15 8.949 8.949 8.105 0.844 18942 3591 1 5 . 1 1 16 16 ILE N N 16 125.955 125.955 122.886 3.069 18942 3592 1 5 . 1 1 16 16 ILE C C 16 175.772 175.772 175.596 0.176 18942 3593 1 5 . 1 1 16 16 ILE CA C 16 59.419 59.419 59.832 -0.413 18942 3594 1 5 . 1 1 16 16 ILE CB C 16 34.858 34.858 38.653 -3.795 18942 3595 1 5 . 1 1 16 16 ILE H H 16 7.463 7.463 7.237 0.226 18942 3596 1 5 . 1 1 17 17 TYR N N 17 125.148 125.148 125.721 -0.573 18942 3597 1 5 . 1 1 17 17 TYR CA C 17 55.534 55.534 55.305 0.229 18942 3598 1 5 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.065 5.568 18942 3599 1 5 . 1 1 17 17 TYR H H 17 8.097 8.097 8.151 -0.054 18942 3600 1 5 . 1 1 18 18 PRO C C 18 177.356 177.356 177.666 -0.310 18942 3601 1 5 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.559 -0.854 18942 3602 1 5 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.157 0.813 18942 3603 1 5 . 1 1 19 19 TRP N N 19 125.777 125.777 126.849 -1.072 18942 3604 1 5 . 1 1 19 19 TRP C C 19 177.067 177.067 177.554 -0.487 18942 3605 1 5 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.401 0.245 18942 3606 1 5 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.660 0.030 18942 3607 1 5 . 1 1 19 19 TRP H H 19 9.064 9.064 9.038 0.026 18942 3608 1 5 . 1 1 20 20 ASP N N 20 112.639 112.639 120.957 -8.318 18942 3609 1 5 . 1 1 20 20 ASP C C 20 178.681 178.681 178.510 0.171 18942 3610 1 5 . 1 1 20 20 ASP CA C 20 56.214 56.214 58.120 -1.906 18942 3611 1 5 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.953 -0.569 18942 3612 1 5 . 1 1 20 20 ASP H H 20 8.476 8.476 8.676 -0.200 18942 3613 1 5 . 1 1 21 21 SER N N 21 113.464 113.464 114.951 -1.487 18942 3614 1 5 . 1 1 21 21 SER C C 21 176.264 176.264 176.642 -0.378 18942 3615 1 5 . 1 1 21 21 SER CA C 21 61.853 61.853 61.876 -0.023 18942 3616 1 5 . 1 1 21 21 SER CB C 21 63.207 63.207 63.211 -0.004 18942 3617 1 5 . 1 1 21 21 SER H H 21 7.436 7.436 7.788 -0.352 18942 3618 1 5 . 1 1 22 22 VAL N N 22 123.136 123.136 121.848 1.288 18942 3619 1 5 . 1 1 22 22 VAL C C 22 177.581 177.581 177.307 0.274 18942 3620 1 5 . 1 1 22 22 VAL CA C 22 66.778 66.778 66.240 0.538 18942 3621 1 5 . 1 1 22 22 VAL CB C 22 30.884 30.884 30.917 -0.033 18942 3622 1 5 . 1 1 22 22 VAL H H 22 7.130 7.130 7.275 -0.145 18942 3623 1 5 . 1 1 23 23 THR N N 23 110.025 110.025 113.483 -3.458 18942 3624 1 5 . 1 1 23 23 THR C C 23 177.587 177.587 176.317 1.270 18942 3625 1 5 . 1 1 23 23 THR CA C 23 66.080 66.080 66.171 -0.091 18942 3626 1 5 . 1 1 23 23 THR CB C 23 68.089 68.089 68.398 -0.309 18942 3627 1 5 . 1 1 23 23 THR H H 23 7.637 7.637 8.295 -0.658 18942 3628 1 5 . 1 1 24 24 ALA N N 24 123.457 123.457 124.221 -0.764 18942 3629 1 5 . 1 1 24 24 ALA C C 24 178.927 178.927 178.959 -0.032 18942 3630 1 5 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.937 0.527 18942 3631 1 5 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.269 0.222 18942 3632 1 5 . 1 1 24 24 ALA H H 24 7.768 7.768 7.762 0.006 18942 3633 1 5 . 1 1 25 25 PHE N N 25 118.072 118.072 120.264 -2.192 18942 3634 1 5 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.374 -0.057 18942 3635 1 5 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.395 -0.457 18942 3636 1 5 . 1 1 25 25 PHE H H 25 7.064 7.064 7.985 -0.921 18942 3637 1 5 . 1 1 26 26 LEU N N 26 115.251 115.251 119.386 -4.135 18942 3638 1 5 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.537 0.166 18942 3639 1 5 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.467 1.838 18942 3640 1 5 . 1 1 26 26 LEU H H 26 8.016 8.016 8.476 -0.460 18942 3641 1 5 . 1 1 27 27 ASN N N 27 114.759 114.759 119.326 -4.567 18942 3642 1 5 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.957 0.566 18942 3643 1 5 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.332 2.377 18942 3644 1 5 . 1 1 27 27 ASN H H 27 7.842 7.842 8.614 -0.772 18942 3645 1 5 . 1 1 28 28 ASP N N 28 116.899 116.899 119.953 -3.054 18942 3646 1 5 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.264 -0.655 18942 3647 1 5 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.858 -0.420 18942 3648 1 5 . 1 1 28 28 ASP H H 28 7.802 7.802 8.057 -0.255 18942 3649 1 5 . 1 1 29 29 LEU N N 29 118.230 118.230 121.179 -2.949 18942 3650 1 5 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.742 0.082 18942 3651 1 5 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.767 0.246 18942 3652 1 5 . 1 1 29 29 LEU H H 29 7.970 7.970 7.679 0.291 18942 3653 1 5 . 1 1 30 30 LEU N N 30 114.781 114.781 118.302 -3.521 18942 3654 1 5 . 1 1 30 30 LEU C C 30 178.917 178.917 179.023 -0.106 18942 3655 1 5 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.038 0.655 18942 3656 1 5 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.558 0.986 18942 3657 1 5 . 1 1 30 30 LEU H H 30 8.000 8.000 8.320 -0.320 18942 3658 1 5 . 1 1 31 31 GLU N N 31 113.705 113.705 117.275 -3.570 18942 3659 1 5 . 1 1 31 31 GLU C C 31 177.554 177.554 178.094 -0.540 18942 3660 1 5 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.317 0.128 18942 3661 1 5 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.645 -0.221 18942 3662 1 5 . 1 1 31 31 GLU H H 31 7.880 7.880 8.165 -0.285 18942 3663 1 5 . 1 1 32 32 ARG N N 32 114.470 114.470 116.245 -1.775 18942 3664 1 5 . 1 1 32 32 ARG C C 32 175.851 175.851 176.609 -0.758 18942 3665 1 5 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.535 -0.986 18942 3666 1 5 . 1 1 32 32 ARG CB C 32 30.586 30.586 31.002 -0.416 18942 3667 1 5 . 1 1 32 32 ARG H H 32 7.014 7.014 7.362 -0.348 18942 3668 1 5 . 1 1 33 33 MET N N 33 116.853 116.853 120.384 -3.531 18942 3669 1 5 . 1 1 33 33 MET C C 33 174.809 174.809 174.944 -0.135 18942 3670 1 5 . 1 1 33 33 MET CA C 33 54.694 54.694 55.963 -1.269 18942 3671 1 5 . 1 1 33 33 MET CB C 33 35.436 35.436 32.919 2.517 18942 3672 1 5 . 1 1 33 33 MET H H 33 7.528 7.528 7.472 0.056 18942 3673 1 5 . 1 1 34 34 ASP N N 34 123.345 123.345 127.549 -4.204 18942 3674 1 5 . 1 1 34 34 ASP C C 34 173.878 173.878 175.564 -1.686 18942 3675 1 5 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.036 -0.864 18942 3676 1 5 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.559 0.332 18942 3677 1 5 . 1 1 34 34 ASP H H 34 8.784 8.784 8.732 0.052 18942 3678 1 5 . 1 1 35 35 ILE N N 35 123.293 123.293 126.330 -3.037 18942 3679 1 5 . 1 1 35 35 ILE C C 35 176.589 176.589 176.466 0.123 18942 3680 1 5 . 1 1 35 35 ILE CA C 35 58.830 58.830 59.209 -0.379 18942 3681 1 5 . 1 1 35 35 ILE CB C 35 38.073 38.073 35.575 2.498 18942 3682 1 5 . 1 1 35 35 ILE H H 35 7.188 7.188 7.772 -0.584 18942 3683 1 5 . 1 1 36 36 GLY N N 36 112.822 112.822 114.006 -1.184 18942 3684 1 5 . 1 1 36 36 GLY CA C 36 45.744 45.744 44.671 1.073 18942 3685 1 5 . 1 1 36 36 GLY H H 36 8.748 8.748 7.814 0.934 18942 3686 1 5 . 1 1 37 37 PRO C C 37 178.427 178.427 177.193 1.234 18942 3687 1 5 . 1 1 37 37 PRO CA C 37 64.849 64.849 65.172 -0.323 18942 3688 1 5 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.207 -0.005 18942 3689 1 5 . 1 1 38 38 LYS N N 38 116.281 116.281 115.500 0.781 18942 3690 1 5 . 1 1 38 38 LYS C C 38 176.306 176.306 176.081 0.225 18942 3691 1 5 . 1 1 38 38 LYS CA C 38 54.664 54.664 55.928 -1.264 18942 3692 1 5 . 1 1 38 38 LYS CB C 38 32.645 32.645 33.332 -0.687 18942 3693 1 5 . 1 1 38 38 LYS H H 38 8.262 8.262 8.105 0.157 18942 3694 1 5 . 1 1 39 39 GLN N N 39 121.587 121.587 119.090 2.497 18942 3695 1 5 . 1 1 39 39 GLN C C 39 176.105 176.105 175.418 0.687 18942 3696 1 5 . 1 1 39 39 GLN CA C 39 55.448 55.448 55.670 -0.222 18942 3697 1 5 . 1 1 39 39 GLN CB C 39 29.540 29.540 29.834 -0.294 18942 3698 1 5 . 1 1 39 39 GLN H H 39 7.680 7.680 7.836 -0.156 18942 3699 1 5 . 1 1 40 40 THR N N 40 124.944 124.944 115.045 9.899 18942 3700 1 5 . 1 1 40 40 THR C C 40 172.592 172.592 173.409 -0.817 18942 3701 1 5 . 1 1 40 40 THR CA C 40 63.650 63.650 63.083 0.567 18942 3702 1 5 . 1 1 40 40 THR CB C 40 69.597 69.597 66.987 2.610 18942 3703 1 5 . 1 1 40 40 THR H H 40 8.525 8.525 8.617 -0.092 18942 3704 1 5 . 1 1 41 41 GLN N N 41 122.782 122.782 122.835 -0.053 18942 3705 1 5 . 1 1 41 41 GLN C C 41 174.312 174.312 174.258 0.054 18942 3706 1 5 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.225 -0.076 18942 3707 1 5 . 1 1 41 41 GLN CB C 41 33.926 33.926 30.296 3.630 18942 3708 1 5 . 1 1 41 41 GLN H H 41 8.821 8.821 7.878 0.943 18942 3709 1 5 . 1 1 42 42 VAL N N 42 118.560 118.560 123.857 -5.297 18942 3710 1 5 . 1 1 42 42 VAL C C 42 173.505 173.505 175.307 -1.802 18942 3711 1 5 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.264 -0.259 18942 3712 1 5 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.104 2.731 18942 3713 1 5 . 1 1 42 42 VAL H H 42 8.135 8.135 8.085 0.050 18942 3714 1 5 . 1 1 43 43 GLY N N 43 110.800 110.800 114.174 -3.374 18942 3715 1 5 . 1 1 43 43 GLY C C 43 172.196 172.196 172.493 -0.297 18942 3716 1 5 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.353 -0.063 18942 3717 1 5 . 1 1 43 43 GLY H H 43 8.606 8.606 8.579 0.027 18942 3718 1 5 . 1 1 44 44 ILE N N 44 115.225 115.225 123.650 -8.425 18942 3719 1 5 . 1 1 44 44 ILE C C 44 174.136 174.136 175.217 -1.081 18942 3720 1 5 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.620 0.226 18942 3721 1 5 . 1 1 44 44 ILE CB C 44 41.252 41.252 40.145 1.107 18942 3722 1 5 . 1 1 44 44 ILE H H 44 7.361 7.361 8.017 -0.656 18942 3723 1 5 . 1 1 45 45 VAL N N 45 126.880 126.880 125.644 1.236 18942 3724 1 5 . 1 1 45 45 VAL C C 45 173.113 173.113 174.148 -1.035 18942 3725 1 5 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.513 -0.681 18942 3726 1 5 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.776 -0.041 18942 3727 1 5 . 1 1 45 45 VAL H H 45 9.245 9.245 9.222 0.023 18942 3728 1 5 . 1 1 46 46 GLN N N 46 124.650 124.650 126.393 -1.743 18942 3729 1 5 . 1 1 46 46 GLN C C 46 173.879 173.879 174.537 -0.658 18942 3730 1 5 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.337 0.422 18942 3731 1 5 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.851 -0.366 18942 3732 1 5 . 1 1 46 46 GLN H H 46 9.333 9.333 9.208 0.125 18942 3733 1 5 . 1 1 47 47 TYR N N 47 123.588 123.588 123.510 0.078 18942 3734 1 5 . 1 1 47 47 TYR C C 47 172.762 172.762 173.981 -1.219 18942 3735 1 5 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.464 -0.045 18942 3736 1 5 . 1 1 47 47 TYR CB C 47 44.504 44.504 41.507 2.997 18942 3737 1 5 . 1 1 47 47 TYR H H 47 9.300 9.300 8.811 0.489 18942 3738 1 5 . 1 1 48 48 GLY N N 48 107.867 107.867 111.747 -3.880 18942 3739 1 5 . 1 1 48 48 GLY C C 48 172.936 172.936 173.717 -0.781 18942 3740 1 5 . 1 1 48 48 GLY CA C 48 48.040 48.040 45.919 2.121 18942 3741 1 5 . 1 1 48 48 GLY H H 48 7.894 7.894 8.148 -0.254 18942 3742 1 5 . 1 1 49 49 GLU N N 49 127.160 127.160 120.379 6.781 18942 3743 1 5 . 1 1 49 49 GLU C C 49 174.960 174.960 176.246 -1.286 18942 3744 1 5 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.511 -0.258 18942 3745 1 5 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.867 1.075 18942 3746 1 5 . 1 1 49 49 GLU H H 49 9.355 9.355 8.619 0.736 18942 3747 1 5 . 1 1 50 50 ASN N N 50 112.730 112.730 114.446 -1.716 18942 3748 1 5 . 1 1 50 50 ASN C C 50 174.229 174.229 173.132 1.097 18942 3749 1 5 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.319 -1.513 18942 3750 1 5 . 1 1 50 50 ASN CB C 50 41.127 41.127 42.289 -1.162 18942 3751 1 5 . 1 1 50 50 ASN H H 50 7.494 7.494 7.526 -0.032 18942 3752 1 5 . 1 1 51 51 VAL N N 51 118.965 118.965 120.724 -1.759 18942 3753 1 5 . 1 1 51 51 VAL C C 51 174.904 174.904 175.443 -0.539 18942 3754 1 5 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.790 0.940 18942 3755 1 5 . 1 1 51 51 VAL CB C 51 34.034 34.034 32.582 1.452 18942 3756 1 5 . 1 1 51 51 VAL H H 51 8.647 8.647 8.560 0.087 18942 3757 1 5 . 1 1 52 52 THR N N 52 122.865 122.865 124.348 -1.483 18942 3758 1 5 . 1 1 52 52 THR C C 52 173.383 173.383 173.298 0.085 18942 3759 1 5 . 1 1 52 52 THR CA C 52 61.809 61.809 61.786 0.023 18942 3760 1 5 . 1 1 52 52 THR CB C 52 71.943 71.943 69.413 2.530 18942 3761 1 5 . 1 1 52 52 THR H H 52 9.183 9.183 8.565 0.618 18942 3762 1 5 . 1 1 53 53 HIS N N 53 126.441 126.441 123.724 2.717 18942 3763 1 5 . 1 1 53 53 HIS C C 53 175.728 175.728 174.841 0.887 18942 3764 1 5 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.084 3.078 18942 3765 1 5 . 1 1 53 53 HIS CB C 53 31.084 31.084 30.570 0.514 18942 3766 1 5 . 1 1 53 53 HIS H H 53 8.995 8.995 8.489 0.506 18942 3767 1 5 . 1 1 54 54 GLU N N 54 126.720 126.720 122.290 4.430 18942 3768 1 5 . 1 1 54 54 GLU C C 54 178.106 178.106 176.622 1.484 18942 3769 1 5 . 1 1 54 54 GLU CA C 54 57.886 57.886 58.663 -0.777 18942 3770 1 5 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.201 -1.631 18942 3771 1 5 . 1 1 54 54 GLU H H 54 8.901 8.901 8.818 0.083 18942 3772 1 5 . 1 1 55 55 PHE N N 55 106.460 106.460 118.632 -12.172 18942 3773 1 5 . 1 1 55 55 PHE C C 55 174.320 174.320 174.574 -0.254 18942 3774 1 5 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.548 -0.504 18942 3775 1 5 . 1 1 55 55 PHE CB C 55 40.763 40.763 39.321 1.442 18942 3776 1 5 . 1 1 55 55 PHE H H 55 7.351 7.351 8.329 -0.978 18942 3777 1 5 . 1 1 56 56 ASN N N 56 119.296 119.296 122.298 -3.002 18942 3778 1 5 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.552 -0.473 18942 3779 1 5 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.725 -0.020 18942 3780 1 5 . 1 1 56 56 ASN H H 56 8.378 8.378 8.751 -0.373 18942 3781 1 5 . 1 1 57 57 LEU C C 57 175.843 175.843 177.790 -1.947 18942 3782 1 5 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.899 0.599 18942 3783 1 5 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.410 1.584 18942 3784 1 5 . 1 1 58 58 ASN N N 58 108.256 108.256 115.006 -6.750 18942 3785 1 5 . 1 1 58 58 ASN C C 58 177.051 177.051 175.387 1.664 18942 3786 1 5 . 1 1 58 58 ASN CA C 58 50.879 50.879 53.496 -2.617 18942 3787 1 5 . 1 1 58 58 ASN CB C 58 38.911 38.911 37.988 0.923 18942 3788 1 5 . 1 1 58 58 ASN H H 58 7.345 7.345 7.975 -0.630 18942 3789 1 5 . 1 1 59 59 LYS N N 59 121.550 121.550 120.642 0.908 18942 3790 1 5 . 1 1 59 59 LYS C C 59 176.380 176.380 176.358 0.022 18942 3791 1 5 . 1 1 59 59 LYS CA C 59 59.241 59.241 55.407 3.834 18942 3792 1 5 . 1 1 59 59 LYS CB C 59 32.863 32.863 33.179 -0.317 18942 3793 1 5 . 1 1 59 59 LYS H H 59 7.793 7.793 7.709 0.084 18942 3794 1 5 . 1 1 60 60 TYR N N 60 115.388 115.388 118.746 -3.358 18942 3795 1 5 . 1 1 60 60 TYR C C 60 176.551 176.551 175.817 0.734 18942 3796 1 5 . 1 1 60 60 TYR CA C 60 56.785 56.785 57.038 -0.253 18942 3797 1 5 . 1 1 60 60 TYR CB C 60 40.587 40.587 38.578 2.010 18942 3798 1 5 . 1 1 60 60 TYR H H 60 8.838 8.838 7.889 0.949 18942 3799 1 5 . 1 1 61 61 SER N N 61 113.454 113.454 113.569 -0.115 18942 3800 1 5 . 1 1 61 61 SER C C 61 172.093 172.093 173.155 -1.062 18942 3801 1 5 . 1 1 61 61 SER CA C 61 57.686 57.686 58.182 -0.496 18942 3802 1 5 . 1 1 61 61 SER CB C 61 64.641 64.641 64.338 0.302 18942 3803 1 5 . 1 1 61 61 SER H H 61 8.869 8.869 8.362 0.507 18942 3804 1 5 . 1 1 62 62 SER N N 62 110.923 110.923 115.292 -4.369 18942 3805 1 5 . 1 1 62 62 SER C C 62 174.355 174.355 175.008 -0.653 18942 3806 1 5 . 1 1 62 62 SER CA C 62 56.928 56.928 56.492 0.437 18942 3807 1 5 . 1 1 62 62 SER CB C 62 67.154 67.154 66.867 0.287 18942 3808 1 5 . 1 1 62 62 SER H H 62 7.236 7.236 7.452 -0.215 18942 3809 1 5 . 1 1 63 63 THR N N 63 120.405 120.405 117.867 2.538 18942 3810 1 5 . 1 1 63 63 THR C C 63 175.543 175.543 176.135 -0.592 18942 3811 1 5 . 1 1 63 63 THR CA C 63 69.245 69.245 67.713 1.532 18942 3812 1 5 . 1 1 63 63 THR CB C 63 67.203 67.203 68.681 -1.478 18942 3813 1 5 . 1 1 63 63 THR H H 63 9.263 9.263 8.813 0.450 18942 3814 1 5 . 1 1 64 64 GLU N N 64 119.002 119.002 121.948 -2.946 18942 3815 1 5 . 1 1 64 64 GLU C C 64 178.754 178.754 178.146 0.608 18942 3816 1 5 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.985 0.452 18942 3817 1 5 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.306 0.160 18942 3818 1 5 . 1 1 64 64 GLU H H 64 8.873 8.873 8.588 0.285 18942 3819 1 5 . 1 1 65 65 GLU N N 65 114.467 114.467 119.284 -4.817 18942 3820 1 5 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.122 -0.071 18942 3821 1 5 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.670 1.668 18942 3822 1 5 . 1 1 65 65 GLU H H 65 7.299 7.299 7.605 -0.306 18942 3823 1 5 . 1 1 66 66 VAL N N 66 118.486 118.486 120.048 -1.562 18942 3824 1 5 . 1 1 66 66 VAL C C 66 176.723 176.723 178.093 -1.370 18942 3825 1 5 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.469 -0.451 18942 3826 1 5 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.703 -0.168 18942 3827 1 5 . 1 1 66 66 VAL H H 66 7.361 7.361 8.240 -0.879 18942 3828 1 5 . 1 1 67 67 LEU N N 67 119.314 119.314 121.478 -2.164 18942 3829 1 5 . 1 1 67 67 LEU C C 67 180.087 180.087 178.645 1.442 18942 3830 1 5 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.251 -0.251 18942 3831 1 5 . 1 1 67 67 LEU CB C 67 41.941 41.941 42.168 -0.227 18942 3832 1 5 . 1 1 67 67 LEU H H 67 8.154 8.154 8.219 -0.065 18942 3833 1 5 . 1 1 68 68 VAL N N 68 117.110 117.110 118.532 -1.422 18942 3834 1 5 . 1 1 68 68 VAL C C 68 179.736 179.736 177.220 2.516 18942 3835 1 5 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.521 0.672 18942 3836 1 5 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.755 0.441 18942 3837 1 5 . 1 1 68 68 VAL H H 68 7.110 7.110 8.425 -1.315 18942 3838 1 5 . 1 1 69 69 ALA N N 69 119.661 119.661 121.836 -2.175 18942 3839 1 5 . 1 1 69 69 ALA C C 69 181.653 181.653 178.732 2.921 18942 3840 1 5 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.605 0.475 18942 3841 1 5 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.231 2.849 18942 3842 1 5 . 1 1 69 69 ALA H H 69 6.970 6.970 7.912 -0.942 18942 3843 1 5 . 1 1 70 70 ALA N N 70 120.071 120.071 120.317 -0.246 18942 3844 1 5 . 1 1 70 70 ALA C C 70 178.758 178.758 179.192 -0.434 18942 3845 1 5 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.161 -0.058 18942 3846 1 5 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.607 -0.510 18942 3847 1 5 . 1 1 70 70 ALA H H 70 8.881 8.881 7.811 1.070 18942 3848 1 5 . 1 1 71 71 LYS N N 71 112.889 112.889 115.798 -2.909 18942 3849 1 5 . 1 1 71 71 LYS C C 71 177.551 177.551 178.158 -0.607 18942 3850 1 5 . 1 1 71 71 LYS CA C 71 58.190 58.190 57.971 0.219 18942 3851 1 5 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.153 0.684 18942 3852 1 5 . 1 1 71 71 LYS H H 71 7.124 7.124 7.559 -0.435 18942 3853 1 5 . 1 1 72 72 LYS N N 72 114.633 114.633 119.473 -4.840 18942 3854 1 5 . 1 1 72 72 LYS C C 72 176.789 176.789 177.124 -0.335 18942 3855 1 5 . 1 1 72 72 LYS CA C 72 55.865 55.865 58.004 -2.139 18942 3856 1 5 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.441 -0.034 18942 3857 1 5 . 1 1 72 72 LYS H H 72 7.150 7.150 7.622 -0.472 18942 3858 1 5 . 1 1 73 73 ILE N N 73 120.045 120.045 121.716 -1.671 18942 3859 1 5 . 1 1 73 73 ILE C C 73 176.494 176.494 175.009 1.485 18942 3860 1 5 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.666 1.363 18942 3861 1 5 . 1 1 73 73 ILE CB C 73 37.347 37.347 37.041 0.306 18942 3862 1 5 . 1 1 73 73 ILE H H 73 7.164 7.164 7.682 -0.518 18942 3863 1 5 . 1 1 74 74 VAL N N 74 126.199 126.199 122.350 3.849 18942 3864 1 5 . 1 1 74 74 VAL C C 74 174.021 174.021 174.472 -0.451 18942 3865 1 5 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.789 -0.142 18942 3866 1 5 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.707 0.266 18942 3867 1 5 . 1 1 74 74 VAL H H 74 8.174 8.174 7.687 0.487 18942 3868 1 5 . 1 1 75 75 GLN N N 75 123.009 123.009 123.340 -0.331 18942 3869 1 5 . 1 1 75 75 GLN CA C 75 55.478 55.478 55.085 0.393 18942 3870 1 5 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.799 -2.668 18942 3871 1 5 . 1 1 75 75 GLN H H 75 7.569 7.569 7.219 0.350 18942 3872 1 5 . 1 1 76 76 ARG N N 76 129.740 129.740 123.284 6.456 18942 3873 1 5 . 1 1 76 76 ARG C C 76 178.628 178.628 176.728 1.900 18942 3874 1 5 . 1 1 76 76 ARG CA C 76 57.917 57.917 55.744 2.173 18942 3875 1 5 . 1 1 76 76 ARG CB C 76 29.779 29.779 31.072 -1.293 18942 3876 1 5 . 1 1 76 76 ARG H H 76 9.670 9.670 8.426 1.244 18942 3877 1 5 . 1 1 77 77 GLY N N 77 106.443 106.443 106.467 -0.024 18942 3878 1 5 . 1 1 77 77 GLY C C 77 174.221 174.221 173.439 0.782 18942 3879 1 5 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.647 0.269 18942 3880 1 5 . 1 1 77 77 GLY H H 77 7.360 7.360 8.205 -0.845 18942 3881 1 5 . 1 1 78 78 GLY N N 78 103.622 103.622 109.355 -5.733 18942 3882 1 5 . 1 1 78 78 GLY C C 78 172.710 172.710 173.105 -0.395 18942 3883 1 5 . 1 1 78 78 GLY CA C 78 46.986 46.986 43.698 3.288 18942 3884 1 5 . 1 1 78 78 GLY H H 78 7.851 7.851 8.266 -0.415 18942 3885 1 5 . 1 1 79 79 ARG N N 79 124.452 124.452 120.215 4.237 18942 3886 1 5 . 1 1 79 79 ARG C C 79 174.484 174.484 175.959 -1.475 18942 3887 1 5 . 1 1 79 79 ARG CA C 79 57.437 57.437 55.919 1.518 18942 3888 1 5 . 1 1 79 79 ARG CB C 79 30.338 30.338 32.112 -1.774 18942 3889 1 5 . 1 1 79 79 ARG H H 79 9.952 9.952 9.322 0.630 18942 3890 1 5 . 1 1 80 80 GLN N N 80 113.887 113.887 119.086 -5.199 18942 3891 1 5 . 1 1 80 80 GLN C C 80 173.824 173.824 174.535 -0.711 18942 3892 1 5 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.376 0.665 18942 3893 1 5 . 1 1 80 80 GLN CB C 80 35.655 35.655 32.232 3.423 18942 3894 1 5 . 1 1 80 80 GLN H H 80 7.411 7.411 8.241 -0.830 18942 3895 1 5 . 1 1 81 81 THR N N 81 117.791 117.791 119.222 -1.431 18942 3896 1 5 . 1 1 81 81 THR C C 81 175.393 175.393 172.890 2.503 18942 3897 1 5 . 1 1 81 81 THR CA C 81 62.222 62.222 61.739 0.483 18942 3898 1 5 . 1 1 81 81 THR CB C 81 71.140 71.140 69.795 1.345 18942 3899 1 5 . 1 1 81 81 THR H H 81 11.198 11.198 8.445 2.753 18942 3900 1 5 . 1 1 82 82 MET N N 82 128.338 128.338 127.954 0.384 18942 3901 1 5 . 1 1 82 82 MET C C 82 175.011 175.011 176.150 -1.139 18942 3902 1 5 . 1 1 82 82 MET CA C 82 52.078 52.078 53.250 -1.172 18942 3903 1 5 . 1 1 82 82 MET CB C 82 29.146 29.146 33.371 -4.225 18942 3904 1 5 . 1 1 82 82 MET H H 82 8.679 8.679 9.083 -0.404 18942 3905 1 5 . 1 1 83 83 THR N N 83 120.032 120.032 121.499 -1.467 18942 3906 1 5 . 1 1 83 83 THR C C 83 175.014 175.014 175.850 -0.836 18942 3907 1 5 . 1 1 83 83 THR CA C 83 65.627 65.627 67.097 -1.470 18942 3908 1 5 . 1 1 83 83 THR CB C 83 69.254 69.254 68.778 0.476 18942 3909 1 5 . 1 1 83 83 THR H H 83 6.986 6.986 8.477 -1.491 18942 3910 1 5 . 1 1 84 84 ALA N N 84 126.207 126.207 123.404 2.803 18942 3911 1 5 . 1 1 84 84 ALA C C 84 179.500 179.500 179.041 0.459 18942 3912 1 5 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.932 1.137 18942 3913 1 5 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.086 -1.356 18942 3914 1 5 . 1 1 84 84 ALA H H 84 10.069 10.069 8.186 1.883 18942 3915 1 5 . 1 1 85 85 LEU N N 85 119.501 119.501 119.741 -0.240 18942 3916 1 5 . 1 1 85 85 LEU C C 85 181.098 181.098 179.054 2.044 18942 3917 1 5 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.630 0.276 18942 3918 1 5 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.754 0.014 18942 3919 1 5 . 1 1 85 85 LEU H H 85 8.166 8.166 7.545 0.621 18942 3920 1 5 . 1 1 86 86 GLY N N 86 110.546 110.546 107.910 2.636 18942 3921 1 5 . 1 1 86 86 GLY C C 86 174.135 174.135 175.871 -1.736 18942 3922 1 5 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.259 0.064 18942 3923 1 5 . 1 1 86 86 GLY H H 86 8.720 8.720 8.185 0.535 18942 3924 1 5 . 1 1 87 87 ILE N N 87 120.213 120.213 122.096 -1.883 18942 3925 1 5 . 1 1 87 87 ILE C C 87 177.503 177.503 177.253 0.250 18942 3926 1 5 . 1 1 87 87 ILE CA C 87 66.253 66.253 65.353 0.900 18942 3927 1 5 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.736 1.175 18942 3928 1 5 . 1 1 87 87 ILE H H 87 8.141 8.141 7.911 0.230 18942 3929 1 5 . 1 1 88 88 ASP N N 88 118.326 118.326 119.894 -1.568 18942 3930 1 5 . 1 1 88 88 ASP C C 88 178.751 178.751 178.647 0.104 18942 3931 1 5 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.581 -0.013 18942 3932 1 5 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.960 2.288 18942 3933 1 5 . 1 1 88 88 ASP H H 88 8.512 8.512 8.430 0.082 18942 3934 1 5 . 1 1 89 89 THR N N 89 112.028 112.028 115.984 -3.956 18942 3935 1 5 . 1 1 89 89 THR C C 89 176.400 176.400 176.195 0.205 18942 3936 1 5 . 1 1 89 89 THR CA C 89 68.345 68.345 65.516 2.829 18942 3937 1 5 . 1 1 89 89 THR CB C 89 67.082 67.082 69.063 -1.981 18942 3938 1 5 . 1 1 89 89 THR H H 89 8.470 8.470 8.267 0.203 18942 3939 1 5 . 1 1 90 90 ALA N N 90 124.209 124.209 124.963 -0.754 18942 3940 1 5 . 1 1 90 90 ALA C C 90 178.756 178.756 179.028 -0.272 18942 3941 1 5 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.245 0.771 18942 3942 1 5 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.407 0.602 18942 3943 1 5 . 1 1 90 90 ALA H H 90 8.159 8.159 8.238 -0.079 18942 3944 1 5 . 1 1 91 91 ARG N N 91 116.481 116.481 115.836 0.645 18942 3945 1 5 . 1 1 91 91 ARG C C 91 177.990 177.990 177.245 0.745 18942 3946 1 5 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.782 1.947 18942 3947 1 5 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.031 -0.113 18942 3948 1 5 . 1 1 91 91 ARG H H 91 8.479 8.479 8.108 0.371 18942 3949 1 5 . 1 1 92 92 LYS N N 92 113.675 113.675 116.298 -2.623 18942 3950 1 5 . 1 1 92 92 LYS C C 92 178.208 178.208 176.854 1.354 18942 3951 1 5 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.594 1.386 18942 3952 1 5 . 1 1 92 92 LYS CB C 92 34.233 34.233 32.884 1.349 18942 3953 1 5 . 1 1 92 92 LYS H H 92 8.073 8.073 7.355 0.718 18942 3954 1 5 . 1 1 93 93 GLU N N 93 112.950 112.950 118.934 -5.984 18942 3955 1 5 . 1 1 93 93 GLU C C 93 178.160 178.160 177.994 0.166 18942 3956 1 5 . 1 1 93 93 GLU CA C 93 57.300 57.300 58.003 -0.703 18942 3957 1 5 . 1 1 93 93 GLU CB C 93 33.059 33.059 31.252 1.807 18942 3958 1 5 . 1 1 93 93 GLU H H 93 8.678 8.678 8.142 0.536 18942 3959 1 5 . 1 1 94 94 ALA N N 94 119.150 119.150 123.722 -4.572 18942 3960 1 5 . 1 1 94 94 ALA C C 94 177.262 177.262 179.462 -2.200 18942 3961 1 5 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.528 0.583 18942 3962 1 5 . 1 1 94 94 ALA CB C 94 20.213 20.213 18.943 1.270 18942 3963 1 5 . 1 1 94 94 ALA H H 94 8.529 8.529 7.822 0.707 18942 3964 1 5 . 1 1 95 95 PHE N N 95 111.282 111.282 118.775 -7.493 18942 3965 1 5 . 1 1 95 95 PHE C C 95 175.308 175.308 174.696 0.612 18942 3966 1 5 . 1 1 95 95 PHE CA C 95 56.984 56.984 58.177 -1.193 18942 3967 1 5 . 1 1 95 95 PHE CB C 95 37.965 37.965 38.110 -0.145 18942 3968 1 5 . 1 1 95 95 PHE H H 95 6.981 6.981 8.168 -1.187 18942 3969 1 5 . 1 1 96 96 THR N N 96 106.274 106.274 110.564 -4.290 18942 3970 1 5 . 1 1 96 96 THR CA C 96 59.540 59.540 59.659 -0.119 18942 3971 1 5 . 1 1 96 96 THR CB C 96 71.910 71.910 72.151 -0.241 18942 3972 1 5 . 1 1 96 96 THR H H 96 6.842 6.842 7.498 -0.656 18942 3973 1 5 . 1 1 98 98 ALA C C 98 179.284 179.284 178.968 0.316 18942 3974 1 5 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.137 0.884 18942 3975 1 5 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.497 0.159 18942 3976 1 5 . 1 1 99 99 ARG N N 99 114.439 114.439 117.285 -2.846 18942 3977 1 5 . 1 1 99 99 ARG C C 99 174.052 174.052 175.742 -1.690 18942 3978 1 5 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.109 2.606 18942 3979 1 5 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.267 0.007 18942 3980 1 5 . 1 1 99 99 ARG H H 99 7.061 7.061 7.844 -0.783 18942 3981 1 5 . 1 1 100 100 GLY N N 100 101.608 101.608 105.884 -4.276 18942 3982 1 5 . 1 1 100 100 GLY C C 100 174.164 174.164 174.067 0.097 18942 3983 1 5 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.758 0.952 18942 3984 1 5 . 1 1 100 100 GLY H H 100 7.496 7.496 7.820 -0.324 18942 3985 1 5 . 1 1 101 101 ALA N N 101 123.007 123.007 123.616 -0.609 18942 3986 1 5 . 1 1 101 101 ALA C C 101 177.955 177.955 177.261 0.694 18942 3987 1 5 . 1 1 101 101 ALA CA C 101 53.120 53.120 52.037 1.083 18942 3988 1 5 . 1 1 101 101 ALA CB C 101 18.525 18.525 19.718 -1.193 18942 3989 1 5 . 1 1 101 101 ALA H H 101 7.691 7.691 7.820 -0.129 18942 3990 1 5 . 1 1 102 102 ARG N N 102 124.837 124.837 121.252 3.585 18942 3991 1 5 . 1 1 102 102 ARG C C 102 176.459 176.459 175.844 0.615 18942 3992 1 5 . 1 1 102 102 ARG CA C 102 55.186 55.186 53.997 1.189 18942 3993 1 5 . 1 1 102 102 ARG CB C 102 32.273 32.273 31.402 0.870 18942 3994 1 5 . 1 1 102 102 ARG H H 102 9.456 9.456 9.259 0.197 18942 3995 1 5 . 1 1 103 103 ARG N N 103 123.729 123.729 124.399 -0.670 18942 3996 1 5 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.491 1.302 18942 3997 1 5 . 1 1 103 103 ARG CB C 103 30.039 30.039 29.870 0.169 18942 3998 1 5 . 1 1 103 103 ARG H H 103 8.520 8.520 8.715 -0.195 18942 3999 1 5 . 1 1 104 104 GLY N N 104 108.061 108.061 112.874 -4.813 18942 4000 1 5 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.718 1.191 18942 4001 1 5 . 1 1 104 104 GLY H H 104 8.345 8.345 8.815 -0.470 18942 4002 1 5 . 1 1 105 105 VAL N N 105 118.807 118.807 117.886 0.921 18942 4003 1 5 . 1 1 105 105 VAL C C 105 176.102 176.102 174.628 1.474 18942 4004 1 5 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.014 1.791 18942 4005 1 5 . 1 1 105 105 VAL CB C 105 31.820 31.820 34.516 -2.696 18942 4006 1 5 . 1 1 105 105 VAL H H 105 7.298 7.298 7.795 -0.497 18942 4007 1 5 . 1 1 106 106 LYS N N 106 127.841 127.841 123.241 4.600 18942 4008 1 5 . 1 1 106 106 LYS C C 106 174.143 174.143 175.728 -1.585 18942 4009 1 5 . 1 1 106 106 LYS CA C 106 57.647 57.647 57.180 0.467 18942 4010 1 5 . 1 1 106 106 LYS CB C 106 33.387 33.387 32.419 0.968 18942 4011 1 5 . 1 1 106 106 LYS H H 106 8.288 8.288 8.590 -0.302 18942 4012 1 5 . 1 1 107 107 LYS N N 107 122.939 122.939 124.687 -1.748 18942 4013 1 5 . 1 1 107 107 LYS C C 107 176.540 176.540 175.435 1.105 18942 4014 1 5 . 1 1 107 107 LYS CA C 107 55.587 55.587 55.169 0.418 18942 4015 1 5 . 1 1 107 107 LYS CB C 107 35.607 35.607 33.418 2.189 18942 4016 1 5 . 1 1 107 107 LYS H H 107 8.401 8.401 8.499 -0.098 18942 4017 1 5 . 1 1 108 108 VAL N N 108 122.376 122.376 125.792 -3.416 18942 4018 1 5 . 1 1 108 108 VAL C C 108 174.507 174.507 174.636 -0.129 18942 4019 1 5 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.641 -0.630 18942 4020 1 5 . 1 1 108 108 VAL CB C 108 36.923 36.923 35.055 1.868 18942 4021 1 5 . 1 1 108 108 VAL H H 108 8.940 8.940 9.385 -0.445 18942 4022 1 5 . 1 1 109 109 MET N N 109 124.377 124.377 126.313 -1.936 18942 4023 1 5 . 1 1 109 109 MET C C 109 175.232 175.232 174.848 0.384 18942 4024 1 5 . 1 1 109 109 MET CA C 109 54.123 54.123 54.632 -0.509 18942 4025 1 5 . 1 1 109 109 MET CB C 109 39.360 39.360 35.026 4.334 18942 4026 1 5 . 1 1 109 109 MET H H 109 9.599 9.599 9.287 0.312 18942 4027 1 5 . 1 1 110 110 VAL N N 110 123.296 123.296 125.547 -2.251 18942 4028 1 5 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.661 -0.463 18942 4029 1 5 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.308 0.867 18942 4030 1 5 . 1 1 110 110 VAL H H 110 8.484 8.484 9.319 -0.835 18942 4031 1 5 . 1 1 111 111 ILE N N 111 128.689 128.689 126.701 1.988 18942 4032 1 5 . 1 1 111 111 ILE C C 111 173.965 173.965 174.847 -0.882 18942 4033 1 5 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.279 2.058 18942 4034 1 5 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.359 -0.070 18942 4035 1 5 . 1 1 111 111 ILE H H 111 9.330 9.330 9.289 0.041 18942 4036 1 5 . 1 1 112 112 VAL N N 112 127.498 127.498 123.283 4.215 18942 4037 1 5 . 1 1 112 112 VAL C C 112 174.932 174.932 175.613 -0.681 18942 4038 1 5 . 1 1 112 112 VAL CA C 112 60.642 60.642 60.770 -0.128 18942 4039 1 5 . 1 1 112 112 VAL CB C 112 33.190 33.190 33.883 -0.693 18942 4040 1 5 . 1 1 112 112 VAL H H 112 8.376 8.376 8.302 0.074 18942 4041 1 5 . 1 1 113 113 THR N N 113 116.756 116.756 121.702 -4.946 18942 4042 1 5 . 1 1 113 113 THR C C 113 170.881 170.881 173.389 -2.508 18942 4043 1 5 . 1 1 113 113 THR CA C 113 60.693 60.693 62.247 -1.554 18942 4044 1 5 . 1 1 113 113 THR CB C 113 67.772 67.772 69.770 -1.998 18942 4045 1 5 . 1 1 113 113 THR H H 113 8.521 8.521 8.786 -0.265 18942 4046 1 5 . 1 1 114 114 ASP N N 114 122.719 122.719 126.836 -4.117 18942 4047 1 5 . 1 1 114 114 ASP C C 114 177.015 177.015 176.935 0.080 18942 4048 1 5 . 1 1 114 114 ASP CA C 114 54.041 54.041 55.317 -1.276 18942 4049 1 5 . 1 1 114 114 ASP CB C 114 42.671 42.671 41.806 0.865 18942 4050 1 5 . 1 1 114 114 ASP H H 114 7.341 7.341 8.814 -1.473 18942 4051 1 5 . 1 1 115 115 GLY N N 115 103.370 103.370 106.555 -3.185 18942 4052 1 5 . 1 1 115 115 GLY C C 115 171.751 171.751 174.021 -2.270 18942 4053 1 5 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.031 1.639 18942 4054 1 5 . 1 1 115 115 GLY H H 115 7.312 7.312 8.132 -0.820 18942 4055 1 5 . 1 1 116 116 GLU N N 116 120.631 120.631 124.025 -3.394 18942 4056 1 5 . 1 1 116 116 GLU C C 116 175.037 175.037 174.978 0.059 18942 4057 1 5 . 1 1 116 116 GLU CA C 116 54.252 54.252 56.101 -1.849 18942 4058 1 5 . 1 1 116 116 GLU CB C 116 27.313 27.313 28.936 -1.623 18942 4059 1 5 . 1 1 116 116 GLU H H 116 7.332 7.332 8.722 -1.390 18942 4060 1 5 . 1 1 117 117 SER N N 117 116.730 116.730 117.972 -1.242 18942 4061 1 5 . 1 1 117 117 SER C C 117 176.356 176.356 174.203 2.153 18942 4062 1 5 . 1 1 117 117 SER CA C 117 57.832 57.832 57.873 -0.041 18942 4063 1 5 . 1 1 117 117 SER CB C 117 66.407 66.407 63.901 2.506 18942 4064 1 5 . 1 1 117 117 SER H H 117 7.964 7.964 8.130 -0.166 18942 4065 1 5 . 1 1 118 118 HIS N N 118 115.543 115.543 120.499 -4.956 18942 4066 1 5 . 1 1 118 118 HIS C C 118 176.602 176.602 174.935 1.667 18942 4067 1 5 . 1 1 118 118 HIS CA C 118 59.291 59.291 55.243 4.048 18942 4068 1 5 . 1 1 118 118 HIS CB C 118 32.819 32.819 28.443 4.376 18942 4069 1 5 . 1 1 118 118 HIS H H 118 9.274 9.274 8.242 1.032 18942 4070 1 5 . 1 1 119 119 ASP N N 119 120.197 120.197 121.076 -0.879 18942 4071 1 5 . 1 1 119 119 ASP CA C 119 52.565 52.565 52.695 -0.130 18942 4072 1 5 . 1 1 119 119 ASP CB C 119 40.309 40.309 40.416 -0.107 18942 4073 1 5 . 1 1 119 119 ASP H H 119 8.160 8.160 7.487 0.673 18942 4074 1 5 . 1 1 120 120 ASN CA C 120 56.154 56.154 55.178 0.976 18942 4075 1 5 . 1 1 120 120 ASN CB C 120 38.139 38.139 37.873 0.266 18942 4076 1 5 . 1 1 121 121 HIS CA C 121 58.471 58.471 59.794 -1.323 18942 4077 1 5 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.650 -0.140 18942 4078 1 5 . 1 1 122 122 ARG N N 122 117.636 117.636 119.484 -1.848 18942 4079 1 5 . 1 1 122 122 ARG CA C 122 55.611 55.611 58.603 -2.992 18942 4080 1 5 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.406 1.380 18942 4081 1 5 . 1 1 122 122 ARG H H 122 7.299 7.299 7.574 -0.275 18942 4082 1 5 . 1 1 123 123 LEU N N 123 119.507 119.507 121.615 -2.108 18942 4083 1 5 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.102 0.369 18942 4084 1 5 . 1 1 123 123 LEU CB C 123 42.176 42.176 40.935 1.241 18942 4085 1 5 . 1 1 123 123 LEU H H 123 7.065 7.065 7.592 -0.527 18942 4086 1 5 . 1 1 124 124 LYS N N 124 116.723 116.723 118.148 -1.425 18942 4087 1 5 . 1 1 124 124 LYS CA C 124 60.473 60.473 60.180 0.293 18942 4088 1 5 . 1 1 124 124 LYS CB C 124 31.875 31.875 32.005 -0.130 18942 4089 1 5 . 1 1 124 124 LYS H H 124 8.426 8.426 7.971 0.455 18942 4090 1 5 . 1 1 125 125 LYS N N 125 119.329 119.329 119.270 0.059 18942 4091 1 5 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.762 -0.410 18942 4092 1 5 . 1 1 125 125 LYS CB C 125 31.484 31.484 31.720 -0.236 18942 4093 1 5 . 1 1 125 125 LYS H H 125 7.746 7.746 7.552 0.194 18942 4094 1 5 . 1 1 126 126 VAL N N 126 117.688 117.688 120.201 -2.513 18942 4095 1 5 . 1 1 126 126 VAL C C 126 178.187 178.187 178.404 -0.217 18942 4096 1 5 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.783 -0.641 18942 4097 1 5 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.806 0.170 18942 4098 1 5 . 1 1 126 126 VAL H H 126 7.450 7.450 7.973 -0.523 18942 4099 1 5 . 1 1 127 127 ILE N N 127 120.125 120.125 120.368 -0.243 18942 4100 1 5 . 1 1 127 127 ILE C C 127 178.008 178.008 177.846 0.162 18942 4101 1 5 . 1 1 127 127 ILE CA C 127 63.283 63.283 65.769 -2.486 18942 4102 1 5 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.425 -2.056 18942 4103 1 5 . 1 1 127 127 ILE H H 127 8.653 8.653 8.385 0.268 18942 4104 1 5 . 1 1 128 128 GLN N N 128 121.110 121.110 119.466 1.644 18942 4105 1 5 . 1 1 128 128 GLN C C 128 178.258 178.258 178.368 -0.110 18942 4106 1 5 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.606 -0.809 18942 4107 1 5 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.463 -0.958 18942 4108 1 5 . 1 1 128 128 GLN H H 128 8.009 8.009 8.101 -0.092 18942 4109 1 5 . 1 1 129 129 ASP N N 129 119.024 119.024 120.051 -1.027 18942 4110 1 5 . 1 1 129 129 ASP C C 129 179.705 179.705 178.549 1.156 18942 4111 1 5 . 1 1 129 129 ASP CA C 129 58.062 58.062 58.276 -0.214 18942 4112 1 5 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.917 -1.140 18942 4113 1 5 . 1 1 129 129 ASP H H 129 8.428 8.428 8.045 0.383 18942 4114 1 5 . 1 1 130 130 CYS N N 130 115.536 115.536 118.177 -2.641 18942 4115 1 5 . 1 1 130 130 CYS C C 130 176.824 176.824 176.203 0.621 18942 4116 1 5 . 1 1 130 130 CYS CA C 130 64.211 64.211 63.884 0.327 18942 4117 1 5 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.696 0.074 18942 4118 1 5 . 1 1 130 130 CYS H H 130 7.608 7.608 8.460 -0.852 18942 4119 1 5 . 1 1 131 131 GLU N N 131 123.098 123.098 120.945 2.153 18942 4120 1 5 . 1 1 131 131 GLU C C 131 180.904 180.904 178.166 2.738 18942 4121 1 5 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.007 0.003 18942 4122 1 5 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.612 -0.194 18942 4123 1 5 . 1 1 131 131 GLU H H 131 8.538 8.538 8.377 0.161 18942 4124 1 5 . 1 1 132 132 ASP N N 132 121.058 121.058 119.990 1.068 18942 4125 1 5 . 1 1 132 132 ASP C C 132 177.666 177.666 178.031 -0.365 18942 4126 1 5 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.560 0.442 18942 4127 1 5 . 1 1 132 132 ASP CB C 132 40.439 40.439 40.935 -0.496 18942 4128 1 5 . 1 1 132 132 ASP H H 132 8.844 8.844 8.076 0.768 18942 4129 1 5 . 1 1 133 133 GLU N N 133 116.312 116.312 117.550 -1.238 18942 4130 1 5 . 1 1 133 133 GLU C C 133 174.841 174.841 175.615 -0.774 18942 4131 1 5 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.126 0.172 18942 4132 1 5 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.204 0.062 18942 4133 1 5 . 1 1 133 133 GLU H H 133 6.997 6.997 7.918 -0.921 18942 4134 1 5 . 1 1 134 134 ASN N N 134 113.879 113.879 114.893 -1.014 18942 4135 1 5 . 1 1 134 134 ASN C C 134 174.994 174.994 173.824 1.170 18942 4136 1 5 . 1 1 134 134 ASN CA C 134 54.449 54.449 54.333 0.116 18942 4137 1 5 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.734 0.413 18942 4138 1 5 . 1 1 134 134 ASN H H 134 8.069 8.069 7.507 0.562 18942 4139 1 5 . 1 1 135 135 ILE N N 135 118.502 118.502 119.415 -0.913 18942 4140 1 5 . 1 1 135 135 ILE C C 135 175.226 175.226 175.253 -0.027 18942 4141 1 5 . 1 1 135 135 ILE CA C 135 61.286 61.286 60.833 0.453 18942 4142 1 5 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.518 -0.462 18942 4143 1 5 . 1 1 135 135 ILE H H 135 7.583 7.583 8.630 -1.047 18942 4144 1 5 . 1 1 136 136 GLN N N 136 131.359 131.359 125.666 5.693 18942 4145 1 5 . 1 1 136 136 GLN C C 136 174.743 174.743 174.770 -0.027 18942 4146 1 5 . 1 1 136 136 GLN CA C 136 56.088 56.088 54.701 1.387 18942 4147 1 5 . 1 1 136 136 GLN CB C 136 29.385 29.385 29.908 -0.523 18942 4148 1 5 . 1 1 136 136 GLN H H 136 7.950 7.950 8.310 -0.360 18942 4149 1 5 . 1 1 137 137 ARG N N 137 124.191 124.191 123.392 0.799 18942 4150 1 5 . 1 1 137 137 ARG C C 137 175.598 175.598 174.906 0.692 18942 4151 1 5 . 1 1 137 137 ARG CA C 137 54.853 54.853 54.789 0.064 18942 4152 1 5 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.475 -1.355 18942 4153 1 5 . 1 1 137 137 ARG H H 137 9.182 9.182 8.173 1.009 18942 4154 1 5 . 1 1 138 138 PHE N N 138 121.323 121.323 123.159 -1.836 18942 4155 1 5 . 1 1 138 138 PHE C C 138 175.241 175.241 174.581 0.660 18942 4156 1 5 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.435 0.206 18942 4157 1 5 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.986 -0.592 18942 4158 1 5 . 1 1 138 138 PHE H H 138 9.214 9.214 8.911 0.303 18942 4159 1 5 . 1 1 139 139 SER N N 139 118.044 118.044 117.757 0.287 18942 4160 1 5 . 1 1 139 139 SER C C 139 171.137 171.137 173.221 -2.084 18942 4161 1 5 . 1 1 139 139 SER CA C 139 55.777 55.777 56.880 -1.103 18942 4162 1 5 . 1 1 139 139 SER CB C 139 66.783 66.783 65.261 1.522 18942 4163 1 5 . 1 1 139 139 SER H H 139 9.601 9.601 9.344 0.257 18942 4164 1 5 . 1 1 140 140 ILE N N 140 123.236 123.236 121.998 1.238 18942 4165 1 5 . 1 1 140 140 ILE C C 140 174.822 174.822 174.356 0.466 18942 4166 1 5 . 1 1 140 140 ILE CA C 140 56.556 56.556 57.632 -1.076 18942 4167 1 5 . 1 1 140 140 ILE CB C 140 37.629 37.629 37.816 -0.187 18942 4168 1 5 . 1 1 140 140 ILE H H 140 9.066 9.066 8.383 0.683 18942 4169 1 5 . 1 1 141 141 ALA N N 141 125.375 125.375 129.755 -4.380 18942 4170 1 5 . 1 1 141 141 ALA C C 141 177.131 177.131 175.452 1.679 18942 4171 1 5 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.881 1.236 18942 4172 1 5 . 1 1 141 141 ALA CB C 141 21.403 21.403 21.363 0.040 18942 4173 1 5 . 1 1 141 141 ALA H H 141 8.790 8.790 8.589 0.201 18942 4174 1 5 . 1 1 142 142 ILE N N 142 123.744 123.744 126.381 -2.637 18942 4175 1 5 . 1 1 142 142 ILE C C 142 174.758 174.758 173.851 0.907 18942 4176 1 5 . 1 1 142 142 ILE CA C 142 58.193 58.193 60.172 -1.979 18942 4177 1 5 . 1 1 142 142 ILE CB C 142 39.082 39.082 39.575 -0.493 18942 4178 1 5 . 1 1 142 142 ILE H H 142 7.973 7.973 7.798 0.175 18942 4179 1 5 . 1 1 143 143 LEU N N 143 123.041 123.041 124.822 -1.781 18942 4180 1 5 . 1 1 143 143 LEU CA C 143 54.972 54.972 54.069 0.903 18942 4181 1 5 . 1 1 143 143 LEU CB C 143 43.790 43.790 44.468 -0.678 18942 4182 1 5 . 1 1 143 143 LEU H H 143 8.019 8.019 7.953 0.066 18942 4183 1 5 . 1 1 144 144 GLY N N 144 108.993 108.993 106.279 2.714 18942 4184 1 5 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.957 1.282 18942 4185 1 5 . 1 1 144 144 GLY H H 144 8.581 8.581 8.275 0.306 18942 4186 1 5 . 1 1 145 145 SER N N 145 114.953 114.953 115.748 -0.795 18942 4187 1 5 . 1 1 145 145 SER CA C 145 58.614 58.614 58.007 0.607 18942 4188 1 5 . 1 1 145 145 SER CB C 145 63.966 63.966 63.188 0.778 18942 4189 1 5 . 1 1 145 145 SER H H 145 8.589 8.589 8.251 0.338 18942 4190 1 5 . 1 1 146 146 TYR N N 146 117.249 117.249 120.143 -2.894 18942 4191 1 5 . 1 1 146 146 TYR CA C 146 56.684 56.684 57.797 -1.113 18942 4192 1 5 . 1 1 146 146 TYR CB C 146 39.174 39.174 37.651 1.523 18942 4193 1 5 . 1 1 146 146 TYR H H 146 7.476 7.476 7.896 -0.420 18942 4194 1 5 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.962 -0.076 18942 4195 1 5 . 1 1 147 147 ASN CB C 147 38.657 38.657 39.140 -0.483 18942 4196 1 5 . 1 1 148 148 ARG N N 148 123.288 123.288 121.566 1.722 18942 4197 1 5 . 1 1 148 148 ARG CA C 148 55.535 55.535 55.742 -0.207 18942 4198 1 5 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.233 0.531 18942 4199 1 5 . 1 1 148 148 ARG H H 148 8.404 8.404 8.493 -0.089 18942 4200 1 5 . 1 1 149 149 GLY N N 149 107.339 107.339 108.967 -1.628 18942 4201 1 5 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.221 1.708 18942 4202 1 5 . 1 1 149 149 GLY H H 149 8.224 8.224 7.860 0.364 18942 4203 1 5 . 1 1 150 150 ASN N N 150 119.090 119.090 119.610 -0.520 18942 4204 1 5 . 1 1 150 150 ASN C C 150 175.341 175.341 175.376 -0.035 18942 4205 1 5 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.794 0.593 18942 4206 1 5 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.722 0.984 18942 4207 1 5 . 1 1 150 150 ASN H H 150 8.309 8.309 8.569 -0.260 18942 4208 1 5 . 1 1 151 151 LEU N N 151 121.177 121.177 121.581 -0.404 18942 4209 1 5 . 1 1 151 151 LEU C C 151 177.527 177.527 176.691 0.836 18942 4210 1 5 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.674 1.063 18942 4211 1 5 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.656 0.017 18942 4212 1 5 . 1 1 151 151 LEU H H 151 7.929 7.929 7.939 -0.010 18942 4213 1 5 . 1 1 152 152 SER N N 152 115.325 115.325 114.375 0.950 18942 4214 1 5 . 1 1 152 152 SER C C 152 175.354 175.354 175.986 -0.632 18942 4215 1 5 . 1 1 152 152 SER CA C 152 57.739 57.739 58.913 -1.174 18942 4216 1 5 . 1 1 152 152 SER CB C 152 63.247 63.247 62.109 1.138 18942 4217 1 5 . 1 1 152 152 SER H H 152 8.185 8.185 8.215 -0.030 18942 4218 1 5 . 1 1 153 153 THR N N 153 115.287 115.287 115.622 -0.335 18942 4219 1 5 . 1 1 153 153 THR C C 153 175.758 175.758 175.930 -0.172 18942 4220 1 5 . 1 1 153 153 THR CA C 153 63.577 63.577 65.692 -2.115 18942 4221 1 5 . 1 1 153 153 THR CB C 153 69.280 69.280 68.808 0.471 18942 4222 1 5 . 1 1 153 153 THR H H 153 8.134 8.134 8.705 -0.571 18942 4223 1 5 . 1 1 154 154 GLU N N 154 121.501 121.501 119.888 1.613 18942 4224 1 5 . 1 1 154 154 GLU C C 154 178.589 178.589 178.792 -0.203 18942 4225 1 5 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.790 1.188 18942 4226 1 5 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.401 0.947 18942 4227 1 5 . 1 1 154 154 GLU H H 154 8.342 8.342 8.835 -0.493 18942 4228 1 5 . 1 1 155 155 LYS N N 155 117.473 117.473 119.731 -2.258 18942 4229 1 5 . 1 1 155 155 LYS C C 155 179.039 179.039 178.699 0.340 18942 4230 1 5 . 1 1 155 155 LYS CA C 155 58.776 58.776 58.024 0.752 18942 4231 1 5 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.952 -0.109 18942 4232 1 5 . 1 1 155 155 LYS H H 155 7.752 7.752 7.816 -0.064 18942 4233 1 5 . 1 1 156 156 PHE N N 156 120.254 120.254 118.003 2.251 18942 4234 1 5 . 1 1 156 156 PHE C C 156 178.765 178.765 178.105 0.660 18942 4235 1 5 . 1 1 156 156 PHE CA C 156 57.339 57.339 60.603 -3.264 18942 4236 1 5 . 1 1 156 156 PHE CB C 156 37.037 37.037 38.924 -1.887 18942 4237 1 5 . 1 1 156 156 PHE H H 156 7.072 7.072 7.430 -0.358 18942 4238 1 5 . 1 1 157 157 VAL N N 157 118.268 118.268 120.082 -1.814 18942 4239 1 5 . 1 1 157 157 VAL C C 157 177.861 177.861 177.494 0.367 18942 4240 1 5 . 1 1 157 157 VAL CA C 157 67.455 67.455 67.086 0.369 18942 4241 1 5 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.688 0.175 18942 4242 1 5 . 1 1 157 157 VAL H H 157 8.007 8.007 7.988 0.019 18942 4243 1 5 . 1 1 158 158 GLU N N 158 117.100 117.100 119.129 -2.029 18942 4244 1 5 . 1 1 158 158 GLU C C 158 179.377 179.377 178.635 0.742 18942 4245 1 5 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.412 0.079 18942 4246 1 5 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.889 0.457 18942 4247 1 5 . 1 1 158 158 GLU H H 158 7.875 7.875 8.145 -0.270 18942 4248 1 5 . 1 1 159 159 GLU N N 159 119.959 119.959 119.084 0.875 18942 4249 1 5 . 1 1 159 159 GLU C C 159 179.622 179.622 179.191 0.431 18942 4250 1 5 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.852 1.498 18942 4251 1 5 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.371 -0.012 18942 4252 1 5 . 1 1 159 159 GLU H H 159 7.746 7.746 7.809 -0.063 18942 4253 1 5 . 1 1 160 160 ILE N N 160 119.530 119.530 121.342 -1.812 18942 4254 1 5 . 1 1 160 160 ILE C C 160 180.262 180.262 177.624 2.638 18942 4255 1 5 . 1 1 160 160 ILE CA C 160 66.305 66.305 63.825 2.480 18942 4256 1 5 . 1 1 160 160 ILE CB C 160 39.319 39.319 37.971 1.348 18942 4257 1 5 . 1 1 160 160 ILE H H 160 8.094 8.094 7.283 0.811 18942 4258 1 5 . 1 1 161 161 LYS N N 161 121.437 121.437 121.053 0.384 18942 4259 1 5 . 1 1 161 161 LYS C C 161 178.518 178.518 178.491 0.027 18942 4260 1 5 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.298 1.358 18942 4261 1 5 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.366 1.235 18942 4262 1 5 . 1 1 161 161 LYS H H 161 8.500 8.500 8.506 -0.006 18942 4263 1 5 . 1 1 162 162 SER N N 162 113.380 113.380 116.311 -2.931 18942 4264 1 5 . 1 1 162 162 SER C C 162 174.773 174.773 175.589 -0.816 18942 4265 1 5 . 1 1 162 162 SER CA C 162 61.208 61.208 61.411 -0.203 18942 4266 1 5 . 1 1 162 162 SER CB C 162 62.725 62.725 62.690 0.035 18942 4267 1 5 . 1 1 162 162 SER H H 162 7.653 7.653 7.750 -0.097 18942 4268 1 5 . 1 1 163 163 ILE N N 163 121.115 121.115 119.626 1.489 18942 4269 1 5 . 1 1 163 163 ILE C C 163 175.371 175.371 175.532 -0.161 18942 4270 1 5 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.722 -0.868 18942 4271 1 5 . 1 1 163 163 ILE CB C 163 39.637 39.637 37.825 1.812 18942 4272 1 5 . 1 1 163 163 ILE H H 163 7.068 7.068 7.356 -0.288 18942 4273 1 5 . 1 1 164 164 ALA N N 164 120.332 120.332 121.342 -1.010 18942 4274 1 5 . 1 1 164 164 ALA C C 164 178.713 178.713 177.231 1.482 18942 4275 1 5 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.088 1.465 18942 4276 1 5 . 1 1 164 164 ALA CB C 164 19.820 19.820 18.380 1.440 18942 4277 1 5 . 1 1 164 164 ALA H H 164 6.801 6.801 7.789 -0.988 18942 4278 1 5 . 1 1 165 165 SER N N 165 120.959 120.959 119.578 1.381 18942 4279 1 5 . 1 1 165 165 SER C C 165 171.079 171.079 175.142 -4.063 18942 4280 1 5 . 1 1 165 165 SER CA C 165 61.464 61.464 59.673 1.791 18942 4281 1 5 . 1 1 165 165 SER CB C 165 61.858 61.858 63.681 -1.823 18942 4282 1 5 . 1 1 165 165 SER H H 165 8.656 8.656 8.145 0.511 18942 4283 1 5 . 1 1 166 166 GLU N N 166 116.428 116.428 121.607 -5.179 18942 4284 1 5 . 1 1 166 166 GLU CA C 166 54.147 54.147 53.638 0.509 18942 4285 1 5 . 1 1 166 166 GLU CB C 166 30.057 30.057 28.979 1.078 18942 4286 1 5 . 1 1 166 166 GLU H H 166 7.949 7.949 7.819 0.130 18942 4287 1 5 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.752 -1.968 18942 4288 1 5 . 1 1 167 167 PRO CB C 167 34.469 34.469 31.865 2.604 18942 4289 1 5 . 1 1 168 168 THR C C 168 176.433 176.433 176.362 0.071 18942 4290 1 5 . 1 1 168 168 THR CA C 168 67.606 67.606 65.665 1.941 18942 4291 1 5 . 1 1 168 168 THR CB C 168 69.086 69.086 68.861 0.225 18942 4292 1 5 . 1 1 169 169 GLU N N 169 118.116 118.116 120.109 -1.993 18942 4293 1 5 . 1 1 169 169 GLU C C 169 177.434 177.434 177.337 0.097 18942 4294 1 5 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.832 0.117 18942 4295 1 5 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.417 -0.846 18942 4296 1 5 . 1 1 169 169 GLU H H 169 9.598 9.598 8.686 0.912 18942 4297 1 5 . 1 1 170 170 LYS N N 170 114.965 114.965 114.067 0.898 18942 4298 1 5 . 1 1 170 170 LYS C C 170 173.967 173.967 176.488 -2.521 18942 4299 1 5 . 1 1 170 170 LYS CA C 170 56.221 56.221 56.173 0.048 18942 4300 1 5 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.499 1.315 18942 4301 1 5 . 1 1 170 170 LYS H H 170 7.300 7.300 7.561 -0.261 18942 4302 1 5 . 1 1 171 171 HIS N N 171 112.017 112.017 116.615 -4.598 18942 4303 1 5 . 1 1 171 171 HIS C C 171 171.860 171.860 173.276 -1.416 18942 4304 1 5 . 1 1 171 171 HIS CA C 171 57.840 57.840 57.141 0.699 18942 4305 1 5 . 1 1 171 171 HIS CB C 171 33.695 33.695 34.025 -0.330 18942 4306 1 5 . 1 1 171 171 HIS H H 171 7.198 7.198 8.110 -0.912 18942 4307 1 5 . 1 1 172 172 PHE N N 172 121.188 121.188 121.338 -0.150 18942 4308 1 5 . 1 1 172 172 PHE C C 172 172.383 172.383 173.614 -1.231 18942 4309 1 5 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.526 -1.316 18942 4310 1 5 . 1 1 172 172 PHE CB C 172 41.412 41.412 42.302 -0.890 18942 4311 1 5 . 1 1 172 172 PHE H H 172 7.342 7.342 8.598 -1.256 18942 4312 1 5 . 1 1 173 173 PHE N N 173 120.855 120.855 122.331 -1.476 18942 4313 1 5 . 1 1 173 173 PHE C C 173 173.751 173.751 172.798 0.953 18942 4314 1 5 . 1 1 173 173 PHE CA C 173 55.895 55.895 55.943 -0.048 18942 4315 1 5 . 1 1 173 173 PHE CB C 173 45.217 45.217 40.400 4.817 18942 4316 1 5 . 1 1 173 173 PHE H H 173 8.012 8.012 8.222 -0.210 18942 4317 1 5 . 1 1 174 174 ASN N N 174 118.624 118.624 118.311 0.313 18942 4318 1 5 . 1 1 174 174 ASN C C 174 176.826 176.826 176.970 -0.144 18942 4319 1 5 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.073 1.225 18942 4320 1 5 . 1 1 174 174 ASN CB C 174 40.549 40.549 39.359 1.190 18942 4321 1 5 . 1 1 174 174 ASN H H 174 8.760 8.760 8.611 0.149 18942 4322 1 5 . 1 1 175 175 VAL N N 175 122.779 122.779 122.012 0.767 18942 4323 1 5 . 1 1 175 175 VAL C C 175 174.743 174.743 176.395 -1.652 18942 4324 1 5 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.375 -0.833 18942 4325 1 5 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.328 0.753 18942 4326 1 5 . 1 1 175 175 VAL H H 175 8.349 8.349 8.336 0.013 18942 4327 1 5 . 1 1 176 176 SER N N 176 111.983 111.983 110.946 1.037 18942 4328 1 5 . 1 1 176 176 SER C C 176 174.583 174.583 174.329 0.254 18942 4329 1 5 . 1 1 176 176 SER CA C 176 57.972 57.972 58.730 -0.758 18942 4330 1 5 . 1 1 176 176 SER CB C 176 63.722 63.722 63.218 0.505 18942 4331 1 5 . 1 1 176 176 SER H H 176 7.933 7.933 8.049 -0.116 18942 4332 1 5 . 1 1 177 177 ASP N N 177 122.321 122.321 122.252 0.069 18942 4333 1 5 . 1 1 177 177 ASP C C 177 178.008 178.008 175.782 2.226 18942 4334 1 5 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.801 0.514 18942 4335 1 5 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.337 -0.651 18942 4336 1 5 . 1 1 177 177 ASP H H 177 7.696 7.696 7.694 0.002 18942 4337 1 5 . 1 1 178 178 GLU N N 178 128.610 128.610 125.362 3.248 18942 4338 1 5 . 1 1 178 178 GLU C C 178 177.787 177.787 177.380 0.407 18942 4339 1 5 . 1 1 178 178 GLU CA C 178 59.124 59.124 57.646 1.478 18942 4340 1 5 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.875 -0.151 18942 4341 1 5 . 1 1 178 178 GLU H H 178 9.211 9.211 8.817 0.394 18942 4342 1 5 . 1 1 179 179 LEU N N 179 117.532 117.532 122.394 -4.862 18942 4343 1 5 . 1 1 179 179 LEU C C 179 178.646 178.646 178.127 0.519 18942 4344 1 5 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.930 -1.855 18942 4345 1 5 . 1 1 179 179 LEU CB C 179 41.784 41.784 41.766 0.019 18942 4346 1 5 . 1 1 179 179 LEU H H 179 8.683 8.683 7.684 0.999 18942 4347 1 5 . 1 1 180 180 ALA N N 180 123.387 123.387 122.171 1.216 18942 4348 1 5 . 1 1 180 180 ALA C C 180 178.175 178.175 179.319 -1.144 18942 4349 1 5 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.546 1.411 18942 4350 1 5 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.745 1.576 18942 4351 1 5 . 1 1 180 180 ALA H H 180 7.627 7.627 8.867 -1.240 18942 4352 1 5 . 1 1 181 181 LEU N N 181 114.375 114.375 117.827 -3.452 18942 4353 1 5 . 1 1 181 181 LEU C C 181 178.681 178.681 178.713 -0.032 18942 4354 1 5 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.407 0.725 18942 4355 1 5 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.432 -0.294 18942 4356 1 5 . 1 1 181 181 LEU H H 181 7.638 7.638 7.883 -0.245 18942 4357 1 5 . 1 1 182 182 VAL N N 182 113.683 113.683 118.500 -4.817 18942 4358 1 5 . 1 1 182 182 VAL C C 182 178.401 178.401 177.765 0.636 18942 4359 1 5 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.339 -1.164 18942 4360 1 5 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.381 0.594 18942 4361 1 5 . 1 1 182 182 VAL H H 182 7.448 7.448 7.527 -0.079 18942 4362 1 5 . 1 1 183 183 THR N N 183 116.081 116.081 117.337 -1.256 18942 4363 1 5 . 1 1 183 183 THR C C 183 176.701 176.701 176.756 -0.055 18942 4364 1 5 . 1 1 183 183 THR CA C 183 66.999 66.999 66.496 0.503 18942 4365 1 5 . 1 1 183 183 THR CB C 183 67.885 67.885 68.485 -0.600 18942 4366 1 5 . 1 1 183 183 THR H H 183 7.527 7.527 7.455 0.072 18942 4367 1 5 . 1 1 184 184 ILE N N 184 124.157 124.157 122.305 1.852 18942 4368 1 5 . 1 1 184 184 ILE C C 184 177.072 177.072 177.822 -0.750 18942 4369 1 5 . 1 1 184 184 ILE CA C 184 66.514 66.514 62.406 4.108 18942 4370 1 5 . 1 1 184 184 ILE CB C 184 38.229 38.229 35.897 2.332 18942 4371 1 5 . 1 1 184 184 ILE H H 184 8.406 8.406 7.946 0.460 18942 4372 1 5 . 1 1 185 185 VAL N N 185 115.165 115.165 120.395 -5.230 18942 4373 1 5 . 1 1 185 185 VAL C C 185 178.544 178.544 178.262 0.282 18942 4374 1 5 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.866 0.136 18942 4375 1 5 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.146 -0.140 18942 4376 1 5 . 1 1 185 185 VAL H H 185 7.429 7.429 7.832 -0.403 18942 4377 1 5 . 1 1 186 186 LYS N N 186 119.326 119.326 118.435 0.891 18942 4378 1 5 . 1 1 186 186 LYS C C 186 179.109 179.109 178.592 0.517 18942 4379 1 5 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.179 0.317 18942 4380 1 5 . 1 1 186 186 LYS CB C 186 32.866 32.866 31.946 0.920 18942 4381 1 5 . 1 1 186 186 LYS H H 186 7.659 7.659 8.002 -0.343 18942 4382 1 5 . 1 1 187 187 THR N N 187 116.582 116.582 115.215 1.367 18942 4383 1 5 . 1 1 187 187 THR C C 187 177.056 177.056 177.025 0.031 18942 4384 1 5 . 1 1 187 187 THR CA C 187 66.358 66.358 65.379 0.980 18942 4385 1 5 . 1 1 187 187 THR CB C 187 69.105 69.105 69.014 0.090 18942 4386 1 5 . 1 1 187 187 THR H H 187 8.377 8.377 7.335 1.042 18942 4387 1 5 . 1 1 188 188 LEU N N 188 121.469 121.469 121.805 -0.336 18942 4388 1 5 . 1 1 188 188 LEU C C 188 178.177 178.177 178.382 -0.205 18942 4389 1 5 . 1 1 188 188 LEU CA C 188 57.524 57.524 56.956 0.568 18942 4390 1 5 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.380 0.936 18942 4391 1 5 . 1 1 188 188 LEU H H 188 8.262 8.262 8.556 -0.294 18942 4392 1 5 . 1 1 189 189 GLY N N 189 104.655 104.655 104.728 -0.073 18942 4393 1 5 . 1 1 189 189 GLY C C 189 174.400 174.400 175.041 -0.641 18942 4394 1 5 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.052 0.915 18942 4395 1 5 . 1 1 189 189 GLY H H 189 7.898 7.898 7.751 0.147 18942 4396 1 5 . 1 1 190 190 GLU N N 190 119.430 119.430 120.789 -1.359 18942 4397 1 5 . 1 1 190 190 GLU C C 190 176.344 176.344 177.517 -1.173 18942 4398 1 5 . 1 1 190 190 GLU CA C 190 56.871 56.871 55.557 1.314 18942 4399 1 5 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.929 -0.276 18942 4400 1 5 . 1 1 190 190 GLU H H 190 7.630 7.630 7.510 0.120 18942 4401 1 5 . 1 1 191 191 ARG N N 191 121.191 121.191 118.353 2.838 18942 4402 1 5 . 1 1 191 191 ARG C C 191 175.205 175.205 176.083 -0.878 18942 4403 1 5 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.501 -1.440 18942 4404 1 5 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.915 -0.059 18942 4405 1 5 . 1 1 191 191 ARG H H 191 8.126 8.126 8.745 -0.619 18942 4406 1 6 . 1 1 2 2 THR N N 2 115.468 115.468 121.373 -5.905 18942 4407 1 6 . 1 1 2 2 THR C C 2 174.211 174.211 173.619 0.592 18942 4408 1 6 . 1 1 2 2 THR CA C 2 61.939 61.939 61.880 0.059 18942 4409 1 6 . 1 1 2 2 THR CB C 2 70.018 70.018 67.973 2.045 18942 4410 1 6 . 1 1 2 2 THR H H 2 8.002 8.002 8.638 -0.636 18942 4411 1 6 . 1 1 3 3 GLN N N 3 122.804 122.804 121.639 1.165 18942 4412 1 6 . 1 1 3 3 GLN C C 3 174.443 174.443 174.370 0.073 18942 4413 1 6 . 1 1 3 3 GLN CA C 3 56.560 56.560 54.584 1.976 18942 4414 1 6 . 1 1 3 3 GLN CB C 3 30.049 30.049 31.096 -1.048 18942 4415 1 6 . 1 1 3 3 GLN H H 3 8.225 8.225 7.875 0.350 18942 4416 1 6 . 1 1 4 4 LEU N N 4 120.941 120.941 119.079 1.862 18942 4417 1 6 . 1 1 4 4 LEU C C 4 174.867 174.867 175.773 -0.906 18942 4418 1 6 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.189 0.311 18942 4419 1 6 . 1 1 4 4 LEU CB C 4 47.427 47.427 45.791 1.636 18942 4420 1 6 . 1 1 4 4 LEU H H 4 6.832 6.832 8.641 -1.809 18942 4421 1 6 . 1 1 5 5 ASP N N 5 125.936 125.936 123.441 2.495 18942 4422 1 6 . 1 1 5 5 ASP C C 5 173.417 173.417 175.401 -1.984 18942 4423 1 6 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.913 -0.306 18942 4424 1 6 . 1 1 5 5 ASP CB C 5 42.393 42.393 41.189 1.204 18942 4425 1 6 . 1 1 5 5 ASP H H 5 8.760 8.760 8.524 0.236 18942 4426 1 6 . 1 1 6 6 ILE N N 6 122.489 122.489 124.598 -2.109 18942 4427 1 6 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.717 0.401 18942 4428 1 6 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.779 -1.985 18942 4429 1 6 . 1 1 6 6 ILE H H 6 8.897 8.897 9.274 -0.377 18942 4430 1 6 . 1 1 7 7 VAL N N 7 124.979 124.979 124.050 0.929 18942 4431 1 6 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.601 0.465 18942 4432 1 6 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.537 -1.375 18942 4433 1 6 . 1 1 7 7 VAL H H 7 9.009 9.009 8.959 0.050 18942 4434 1 6 . 1 1 8 8 ILE N N 8 127.861 127.861 127.999 -0.138 18942 4435 1 6 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.176 1.665 18942 4436 1 6 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.272 -0.256 18942 4437 1 6 . 1 1 8 8 ILE H H 8 8.758 8.758 9.241 -0.483 18942 4438 1 6 . 1 1 9 9 VAL N N 9 129.205 129.205 127.716 1.489 18942 4439 1 6 . 1 1 9 9 VAL C C 9 173.949 173.949 175.089 -1.140 18942 4440 1 6 . 1 1 9 9 VAL CA C 9 61.475 61.475 60.832 0.643 18942 4441 1 6 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.924 -0.528 18942 4442 1 6 . 1 1 9 9 VAL H H 9 9.713 9.713 9.200 0.513 18942 4443 1 6 . 1 1 10 10 LEU N N 10 123.753 123.753 127.041 -3.288 18942 4444 1 6 . 1 1 10 10 LEU C C 10 174.175 174.175 174.602 -0.427 18942 4445 1 6 . 1 1 10 10 LEU CA C 10 53.726 53.726 53.176 0.550 18942 4446 1 6 . 1 1 10 10 LEU CB C 10 44.609 44.609 44.838 -0.229 18942 4447 1 6 . 1 1 10 10 LEU H H 10 9.261 9.261 9.234 0.027 18942 4448 1 6 . 1 1 11 11 ASP N N 11 125.333 125.333 119.949 5.384 18942 4449 1 6 . 1 1 11 11 ASP C C 11 174.405 174.405 176.224 -1.819 18942 4450 1 6 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.179 1.374 18942 4451 1 6 . 1 1 11 11 ASP CB C 11 41.590 41.590 43.922 -2.332 18942 4452 1 6 . 1 1 11 11 ASP H H 11 7.867 7.867 8.474 -0.607 18942 4453 1 6 . 1 1 12 12 GLY N N 12 113.584 113.584 110.814 2.770 18942 4454 1 6 . 1 1 12 12 GLY C C 12 176.010 176.010 174.487 1.523 18942 4455 1 6 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.686 0.028 18942 4456 1 6 . 1 1 12 12 GLY H H 12 8.825 8.825 8.184 0.641 18942 4457 1 6 . 1 1 13 13 SER N N 13 114.408 114.408 118.248 -3.840 18942 4458 1 6 . 1 1 13 13 SER C C 13 173.728 173.728 175.843 -2.115 18942 4459 1 6 . 1 1 13 13 SER CA C 13 58.607 58.607 56.653 1.954 18942 4460 1 6 . 1 1 13 13 SER CB C 13 64.366 64.366 65.760 -1.394 18942 4461 1 6 . 1 1 13 13 SER H H 13 8.668 8.668 8.646 0.022 18942 4462 1 6 . 1 1 14 14 ASN N N 14 117.122 117.122 118.871 -1.749 18942 4463 1 6 . 1 1 14 14 ASN C C 14 175.323 175.323 176.161 -0.838 18942 4464 1 6 . 1 1 14 14 ASN CA C 14 55.132 55.132 55.348 -0.216 18942 4465 1 6 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.190 -0.455 18942 4466 1 6 . 1 1 14 14 ASN H H 14 8.800 8.800 8.517 0.283 18942 4467 1 6 . 1 1 15 15 SER N N 15 109.840 109.840 113.585 -3.745 18942 4468 1 6 . 1 1 15 15 SER C C 15 175.252 175.252 174.166 1.086 18942 4469 1 6 . 1 1 15 15 SER CA C 15 60.352 60.352 59.179 1.173 18942 4470 1 6 . 1 1 15 15 SER CB C 15 62.281 62.281 63.636 -1.355 18942 4471 1 6 . 1 1 15 15 SER H H 15 8.949 8.949 7.748 1.201 18942 4472 1 6 . 1 1 16 16 ILE N N 16 125.955 125.955 120.627 5.328 18942 4473 1 6 . 1 1 16 16 ILE C C 16 175.772 175.772 175.963 -0.191 18942 4474 1 6 . 1 1 16 16 ILE CA C 16 59.419 59.419 59.390 0.029 18942 4475 1 6 . 1 1 16 16 ILE CB C 16 34.858 34.858 40.466 -5.608 18942 4476 1 6 . 1 1 16 16 ILE H H 16 7.463 7.463 7.337 0.126 18942 4477 1 6 . 1 1 17 17 TYR N N 17 125.148 125.148 125.107 0.041 18942 4478 1 6 . 1 1 17 17 TYR CA C 17 55.534 55.534 57.332 -1.798 18942 4479 1 6 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.521 5.112 18942 4480 1 6 . 1 1 17 17 TYR H H 17 8.097 8.097 8.474 -0.377 18942 4481 1 6 . 1 1 18 18 PRO C C 18 177.356 177.356 177.366 -0.010 18942 4482 1 6 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.184 -0.479 18942 4483 1 6 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.357 0.613 18942 4484 1 6 . 1 1 19 19 TRP N N 19 125.777 125.777 122.910 2.867 18942 4485 1 6 . 1 1 19 19 TRP C C 19 177.067 177.067 177.282 -0.215 18942 4486 1 6 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.093 0.553 18942 4487 1 6 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.816 -0.126 18942 4488 1 6 . 1 1 19 19 TRP H H 19 9.064 9.064 9.090 -0.026 18942 4489 1 6 . 1 1 20 20 ASP N N 20 112.639 112.639 119.806 -7.167 18942 4490 1 6 . 1 1 20 20 ASP C C 20 178.681 178.681 178.362 0.319 18942 4491 1 6 . 1 1 20 20 ASP CA C 20 56.214 56.214 56.958 -0.744 18942 4492 1 6 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.280 0.104 18942 4493 1 6 . 1 1 20 20 ASP H H 20 8.476 8.476 8.579 -0.103 18942 4494 1 6 . 1 1 21 21 SER N N 21 113.464 113.464 115.590 -2.126 18942 4495 1 6 . 1 1 21 21 SER C C 21 176.264 176.264 176.553 -0.289 18942 4496 1 6 . 1 1 21 21 SER CA C 21 61.853 61.853 61.358 0.495 18942 4497 1 6 . 1 1 21 21 SER CB C 21 63.207 63.207 62.962 0.245 18942 4498 1 6 . 1 1 21 21 SER H H 21 7.436 7.436 7.824 -0.388 18942 4499 1 6 . 1 1 22 22 VAL N N 22 123.136 123.136 121.575 1.561 18942 4500 1 6 . 1 1 22 22 VAL C C 22 177.581 177.581 177.229 0.352 18942 4501 1 6 . 1 1 22 22 VAL CA C 22 66.778 66.778 66.053 0.725 18942 4502 1 6 . 1 1 22 22 VAL CB C 22 30.884 30.884 30.804 0.080 18942 4503 1 6 . 1 1 22 22 VAL H H 22 7.130 7.130 7.266 -0.136 18942 4504 1 6 . 1 1 23 23 THR N N 23 110.025 110.025 113.616 -3.591 18942 4505 1 6 . 1 1 23 23 THR C C 23 177.587 177.587 176.332 1.255 18942 4506 1 6 . 1 1 23 23 THR CA C 23 66.080 66.080 66.120 -0.040 18942 4507 1 6 . 1 1 23 23 THR CB C 23 68.089 68.089 68.351 -0.262 18942 4508 1 6 . 1 1 23 23 THR H H 23 7.637 7.637 8.207 -0.570 18942 4509 1 6 . 1 1 24 24 ALA N N 24 123.457 123.457 124.663 -1.206 18942 4510 1 6 . 1 1 24 24 ALA C C 24 178.927 178.927 178.933 -0.006 18942 4511 1 6 . 1 1 24 24 ALA CA C 24 55.464 55.464 55.061 0.403 18942 4512 1 6 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.263 0.228 18942 4513 1 6 . 1 1 24 24 ALA H H 24 7.768 7.768 7.774 -0.006 18942 4514 1 6 . 1 1 25 25 PHE N N 25 118.072 118.072 120.012 -1.940 18942 4515 1 6 . 1 1 25 25 PHE CA C 25 61.317 61.317 60.986 0.331 18942 4516 1 6 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.135 -0.197 18942 4517 1 6 . 1 1 25 25 PHE H H 25 7.064 7.064 7.768 -0.704 18942 4518 1 6 . 1 1 26 26 LEU N N 26 115.251 115.251 119.440 -4.189 18942 4519 1 6 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.925 -0.222 18942 4520 1 6 . 1 1 26 26 LEU CB C 26 42.305 42.305 41.144 1.161 18942 4521 1 6 . 1 1 26 26 LEU H H 26 8.016 8.016 8.507 -0.491 18942 4522 1 6 . 1 1 27 27 ASN N N 27 114.759 114.759 118.244 -3.485 18942 4523 1 6 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.798 0.724 18942 4524 1 6 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.340 2.369 18942 4525 1 6 . 1 1 27 27 ASN H H 27 7.842 7.842 8.534 -0.692 18942 4526 1 6 . 1 1 28 28 ASP N N 28 116.899 116.899 120.001 -3.102 18942 4527 1 6 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.962 -1.353 18942 4528 1 6 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.826 -0.388 18942 4529 1 6 . 1 1 28 28 ASP H H 28 7.802 7.802 7.828 -0.026 18942 4530 1 6 . 1 1 29 29 LEU N N 29 118.230 118.230 122.242 -4.012 18942 4531 1 6 . 1 1 29 29 LEU CA C 29 57.824 57.824 58.027 -0.203 18942 4532 1 6 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.643 0.370 18942 4533 1 6 . 1 1 29 29 LEU H H 29 7.970 7.970 7.669 0.301 18942 4534 1 6 . 1 1 30 30 LEU N N 30 114.781 114.781 118.075 -3.294 18942 4535 1 6 . 1 1 30 30 LEU C C 30 178.917 178.917 179.255 -0.338 18942 4536 1 6 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.350 0.343 18942 4537 1 6 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.365 1.179 18942 4538 1 6 . 1 1 30 30 LEU H H 30 8.000 8.000 8.357 -0.357 18942 4539 1 6 . 1 1 31 31 GLU N N 31 113.705 113.705 117.744 -4.039 18942 4540 1 6 . 1 1 31 31 GLU C C 31 177.554 177.554 178.069 -0.515 18942 4541 1 6 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.788 -0.343 18942 4542 1 6 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.735 -0.311 18942 4543 1 6 . 1 1 31 31 GLU H H 31 7.880 7.880 7.531 0.349 18942 4544 1 6 . 1 1 32 32 ARG N N 32 114.470 114.470 116.401 -1.931 18942 4545 1 6 . 1 1 32 32 ARG C C 32 175.851 175.851 177.080 -1.229 18942 4546 1 6 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.766 -1.217 18942 4547 1 6 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.580 0.006 18942 4548 1 6 . 1 1 32 32 ARG H H 32 7.014 7.014 7.278 -0.264 18942 4549 1 6 . 1 1 33 33 MET N N 33 116.853 116.853 118.850 -1.997 18942 4550 1 6 . 1 1 33 33 MET C C 33 174.809 174.809 175.177 -0.368 18942 4551 1 6 . 1 1 33 33 MET CA C 33 54.694 54.694 53.633 1.061 18942 4552 1 6 . 1 1 33 33 MET CB C 33 35.436 35.436 32.218 3.218 18942 4553 1 6 . 1 1 33 33 MET H H 33 7.528 7.528 7.328 0.200 18942 4554 1 6 . 1 1 34 34 ASP N N 34 123.345 123.345 125.311 -1.966 18942 4555 1 6 . 1 1 34 34 ASP C C 34 173.878 173.878 174.919 -1.041 18942 4556 1 6 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.213 -1.041 18942 4557 1 6 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.641 0.250 18942 4558 1 6 . 1 1 34 34 ASP H H 34 8.784 8.784 8.757 0.027 18942 4559 1 6 . 1 1 35 35 ILE N N 35 123.293 123.293 126.596 -3.303 18942 4560 1 6 . 1 1 35 35 ILE C C 35 176.589 176.589 175.188 1.401 18942 4561 1 6 . 1 1 35 35 ILE CA C 35 58.830 58.830 60.003 -1.173 18942 4562 1 6 . 1 1 35 35 ILE CB C 35 38.073 38.073 37.813 0.260 18942 4563 1 6 . 1 1 35 35 ILE H H 35 7.188 7.188 7.577 -0.389 18942 4564 1 6 . 1 1 36 36 GLY N N 36 112.822 112.822 113.724 -0.902 18942 4565 1 6 . 1 1 36 36 GLY CA C 36 45.744 45.744 45.776 -0.032 18942 4566 1 6 . 1 1 36 36 GLY H H 36 8.748 8.748 8.580 0.168 18942 4567 1 6 . 1 1 37 37 PRO C C 37 178.427 178.427 176.385 2.042 18942 4568 1 6 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.317 0.532 18942 4569 1 6 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.334 -0.133 18942 4570 1 6 . 1 1 38 38 LYS N N 38 116.281 116.281 115.154 1.127 18942 4571 1 6 . 1 1 38 38 LYS C C 38 176.306 176.306 175.033 1.273 18942 4572 1 6 . 1 1 38 38 LYS CA C 38 54.664 54.664 56.117 -1.453 18942 4573 1 6 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.069 0.576 18942 4574 1 6 . 1 1 38 38 LYS H H 38 8.262 8.262 7.831 0.431 18942 4575 1 6 . 1 1 39 39 GLN N N 39 121.587 121.587 118.280 3.307 18942 4576 1 6 . 1 1 39 39 GLN C C 39 176.105 176.105 175.209 0.896 18942 4577 1 6 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.149 1.299 18942 4578 1 6 . 1 1 39 39 GLN CB C 39 29.540 29.540 32.056 -2.516 18942 4579 1 6 . 1 1 39 39 GLN H H 39 7.680 7.680 7.811 -0.131 18942 4580 1 6 . 1 1 40 40 THR N N 40 124.944 124.944 114.680 10.264 18942 4581 1 6 . 1 1 40 40 THR C C 40 172.592 172.592 173.655 -1.063 18942 4582 1 6 . 1 1 40 40 THR CA C 40 63.650 63.650 62.917 0.733 18942 4583 1 6 . 1 1 40 40 THR CB C 40 69.597 69.597 67.344 2.253 18942 4584 1 6 . 1 1 40 40 THR H H 40 8.525 8.525 8.867 -0.342 18942 4585 1 6 . 1 1 41 41 GLN N N 41 122.782 122.782 123.091 -0.309 18942 4586 1 6 . 1 1 41 41 GLN C C 41 174.312 174.312 175.156 -0.844 18942 4587 1 6 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.998 -0.849 18942 4588 1 6 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.948 3.978 18942 4589 1 6 . 1 1 41 41 GLN H H 41 8.821 8.821 8.064 0.757 18942 4590 1 6 . 1 1 42 42 VAL N N 42 118.560 118.560 120.145 -1.585 18942 4591 1 6 . 1 1 42 42 VAL C C 42 173.505 173.505 175.353 -1.848 18942 4592 1 6 . 1 1 42 42 VAL CA C 42 60.005 60.005 59.412 0.593 18942 4593 1 6 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.276 2.559 18942 4594 1 6 . 1 1 42 42 VAL H H 42 8.135 8.135 8.468 -0.333 18942 4595 1 6 . 1 1 43 43 GLY N N 43 110.800 110.800 113.207 -2.407 18942 4596 1 6 . 1 1 43 43 GLY C C 43 172.196 172.196 172.602 -0.406 18942 4597 1 6 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.093 0.197 18942 4598 1 6 . 1 1 43 43 GLY H H 43 8.606 8.606 8.533 0.073 18942 4599 1 6 . 1 1 44 44 ILE N N 44 115.225 115.225 122.753 -7.528 18942 4600 1 6 . 1 1 44 44 ILE C C 44 174.136 174.136 175.163 -1.027 18942 4601 1 6 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.752 0.094 18942 4602 1 6 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.920 1.332 18942 4603 1 6 . 1 1 44 44 ILE H H 44 7.361 7.361 8.147 -0.786 18942 4604 1 6 . 1 1 45 45 VAL N N 45 126.880 126.880 126.319 0.561 18942 4605 1 6 . 1 1 45 45 VAL C C 45 173.113 173.113 174.332 -1.219 18942 4606 1 6 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.511 -0.680 18942 4607 1 6 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.126 0.610 18942 4608 1 6 . 1 1 45 45 VAL H H 45 9.245 9.245 9.111 0.134 18942 4609 1 6 . 1 1 46 46 GLN N N 46 124.650 124.650 125.229 -0.579 18942 4610 1 6 . 1 1 46 46 GLN C C 46 173.879 173.879 174.680 -0.801 18942 4611 1 6 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.368 0.391 18942 4612 1 6 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.340 0.145 18942 4613 1 6 . 1 1 46 46 GLN H H 46 9.333 9.333 8.710 0.623 18942 4614 1 6 . 1 1 47 47 TYR N N 47 123.588 123.588 119.719 3.869 18942 4615 1 6 . 1 1 47 47 TYR C C 47 172.762 172.762 174.180 -1.418 18942 4616 1 6 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.695 -0.276 18942 4617 1 6 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.248 2.256 18942 4618 1 6 . 1 1 47 47 TYR H H 47 9.300 9.300 8.838 0.462 18942 4619 1 6 . 1 1 48 48 GLY N N 48 107.867 107.867 108.083 -0.216 18942 4620 1 6 . 1 1 48 48 GLY C C 48 172.936 172.936 173.902 -0.966 18942 4621 1 6 . 1 1 48 48 GLY CA C 48 48.040 48.040 46.297 1.743 18942 4622 1 6 . 1 1 48 48 GLY H H 48 7.894 7.894 8.122 -0.228 18942 4623 1 6 . 1 1 49 49 GLU N N 49 127.160 127.160 120.996 6.164 18942 4624 1 6 . 1 1 49 49 GLU C C 49 174.960 174.960 176.119 -1.159 18942 4625 1 6 . 1 1 49 49 GLU CA C 49 58.254 58.254 57.890 0.364 18942 4626 1 6 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.771 1.172 18942 4627 1 6 . 1 1 49 49 GLU H H 49 9.355 9.355 8.778 0.577 18942 4628 1 6 . 1 1 50 50 ASN N N 50 112.730 112.730 116.323 -3.593 18942 4629 1 6 . 1 1 50 50 ASN C C 50 174.229 174.229 172.912 1.317 18942 4630 1 6 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.333 -1.527 18942 4631 1 6 . 1 1 50 50 ASN CB C 50 41.127 41.127 42.197 -1.069 18942 4632 1 6 . 1 1 50 50 ASN H H 50 7.494 7.494 7.695 -0.201 18942 4633 1 6 . 1 1 51 51 VAL N N 51 118.965 118.965 119.485 -0.520 18942 4634 1 6 . 1 1 51 51 VAL C C 51 174.904 174.904 175.588 -0.684 18942 4635 1 6 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.665 1.065 18942 4636 1 6 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.511 0.523 18942 4637 1 6 . 1 1 51 51 VAL H H 51 8.647 8.647 8.479 0.168 18942 4638 1 6 . 1 1 52 52 THR N N 52 122.865 122.865 123.564 -0.699 18942 4639 1 6 . 1 1 52 52 THR C C 52 173.383 173.383 173.233 0.150 18942 4640 1 6 . 1 1 52 52 THR CA C 52 61.809 61.809 61.140 0.669 18942 4641 1 6 . 1 1 52 52 THR CB C 52 71.943 71.943 70.598 1.345 18942 4642 1 6 . 1 1 52 52 THR H H 52 9.183 9.183 9.130 0.053 18942 4643 1 6 . 1 1 53 53 HIS N N 53 126.441 126.441 123.192 3.249 18942 4644 1 6 . 1 1 53 53 HIS C C 53 175.728 175.728 174.349 1.379 18942 4645 1 6 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.091 3.071 18942 4646 1 6 . 1 1 53 53 HIS CB C 53 31.084 31.084 29.278 1.806 18942 4647 1 6 . 1 1 53 53 HIS H H 53 8.995 8.995 8.513 0.482 18942 4648 1 6 . 1 1 54 54 GLU N N 54 126.720 126.720 124.367 2.353 18942 4649 1 6 . 1 1 54 54 GLU C C 54 178.106 178.106 175.727 2.379 18942 4650 1 6 . 1 1 54 54 GLU CA C 54 57.886 57.886 58.283 -0.397 18942 4651 1 6 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.578 -2.008 18942 4652 1 6 . 1 1 54 54 GLU H H 54 8.901 8.901 8.715 0.186 18942 4653 1 6 . 1 1 55 55 PHE N N 55 106.460 106.460 117.176 -10.716 18942 4654 1 6 . 1 1 55 55 PHE C C 55 174.320 174.320 175.037 -0.717 18942 4655 1 6 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.185 -0.141 18942 4656 1 6 . 1 1 55 55 PHE CB C 55 40.763 40.763 41.816 -1.053 18942 4657 1 6 . 1 1 55 55 PHE H H 55 7.351 7.351 7.915 -0.564 18942 4658 1 6 . 1 1 56 56 ASN N N 56 119.296 119.296 119.356 -0.060 18942 4659 1 6 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.594 -0.515 18942 4660 1 6 . 1 1 56 56 ASN CB C 56 39.705 39.705 40.035 -0.330 18942 4661 1 6 . 1 1 56 56 ASN H H 56 8.378 8.378 8.565 -0.187 18942 4662 1 6 . 1 1 57 57 LEU C C 57 175.843 175.843 177.902 -2.059 18942 4663 1 6 . 1 1 57 57 LEU CA C 57 58.498 58.498 58.360 0.138 18942 4664 1 6 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.395 1.599 18942 4665 1 6 . 1 1 58 58 ASN N N 58 108.256 108.256 114.758 -6.502 18942 4666 1 6 . 1 1 58 58 ASN C C 58 177.051 177.051 175.094 1.957 18942 4667 1 6 . 1 1 58 58 ASN CA C 58 50.879 50.879 52.700 -1.821 18942 4668 1 6 . 1 1 58 58 ASN CB C 58 38.911 38.911 37.206 1.705 18942 4669 1 6 . 1 1 58 58 ASN H H 58 7.345 7.345 7.862 -0.517 18942 4670 1 6 . 1 1 59 59 LYS N N 59 121.550 121.550 118.372 3.178 18942 4671 1 6 . 1 1 59 59 LYS C C 59 176.380 176.380 175.821 0.559 18942 4672 1 6 . 1 1 59 59 LYS CA C 59 59.241 59.241 56.379 2.862 18942 4673 1 6 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.887 -0.024 18942 4674 1 6 . 1 1 59 59 LYS H H 59 7.793 7.793 7.305 0.488 18942 4675 1 6 . 1 1 60 60 TYR N N 60 115.388 115.388 115.970 -0.582 18942 4676 1 6 . 1 1 60 60 TYR C C 60 176.551 176.551 175.793 0.758 18942 4677 1 6 . 1 1 60 60 TYR CA C 60 56.785 56.785 55.931 0.854 18942 4678 1 6 . 1 1 60 60 TYR CB C 60 40.587 40.587 40.549 0.038 18942 4679 1 6 . 1 1 60 60 TYR H H 60 8.838 8.838 7.135 1.703 18942 4680 1 6 . 1 1 61 61 SER N N 61 113.454 113.454 112.674 0.780 18942 4681 1 6 . 1 1 61 61 SER C C 61 172.093 172.093 173.352 -1.259 18942 4682 1 6 . 1 1 61 61 SER CA C 61 57.686 57.686 58.466 -0.780 18942 4683 1 6 . 1 1 61 61 SER CB C 61 64.641 64.641 66.243 -1.602 18942 4684 1 6 . 1 1 61 61 SER H H 61 8.869 8.869 8.540 0.329 18942 4685 1 6 . 1 1 62 62 SER N N 62 110.923 110.923 116.125 -5.202 18942 4686 1 6 . 1 1 62 62 SER C C 62 174.355 174.355 174.861 -0.506 18942 4687 1 6 . 1 1 62 62 SER CA C 62 56.928 56.928 56.895 0.033 18942 4688 1 6 . 1 1 62 62 SER CB C 62 67.154 67.154 66.075 1.079 18942 4689 1 6 . 1 1 62 62 SER H H 62 7.236 7.236 7.693 -0.457 18942 4690 1 6 . 1 1 63 63 THR N N 63 120.405 120.405 119.566 0.839 18942 4691 1 6 . 1 1 63 63 THR C C 63 175.543 175.543 176.000 -0.457 18942 4692 1 6 . 1 1 63 63 THR CA C 63 69.245 69.245 68.023 1.222 18942 4693 1 6 . 1 1 63 63 THR CB C 63 67.203 67.203 68.670 -1.467 18942 4694 1 6 . 1 1 63 63 THR H H 63 9.263 9.263 8.574 0.689 18942 4695 1 6 . 1 1 64 64 GLU N N 64 119.002 119.002 121.267 -2.265 18942 4696 1 6 . 1 1 64 64 GLU C C 64 178.754 178.754 178.484 0.270 18942 4697 1 6 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.775 0.662 18942 4698 1 6 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.259 0.207 18942 4699 1 6 . 1 1 64 64 GLU H H 64 8.873 8.873 8.615 0.258 18942 4700 1 6 . 1 1 65 65 GLU N N 65 114.467 114.467 119.399 -4.932 18942 4701 1 6 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.173 -0.122 18942 4702 1 6 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.691 1.647 18942 4703 1 6 . 1 1 65 65 GLU H H 65 7.299 7.299 7.723 -0.424 18942 4704 1 6 . 1 1 66 66 VAL N N 66 118.486 118.486 119.393 -0.907 18942 4705 1 6 . 1 1 66 66 VAL C C 66 176.723 176.723 177.654 -0.931 18942 4706 1 6 . 1 1 66 66 VAL CA C 66 66.018 66.018 65.781 0.237 18942 4707 1 6 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.347 0.188 18942 4708 1 6 . 1 1 66 66 VAL H H 66 7.361 7.361 7.455 -0.094 18942 4709 1 6 . 1 1 67 67 LEU N N 67 119.314 119.314 121.701 -2.387 18942 4710 1 6 . 1 1 67 67 LEU C C 67 180.087 180.087 178.204 1.883 18942 4711 1 6 . 1 1 67 67 LEU CA C 67 58.000 58.000 57.964 0.036 18942 4712 1 6 . 1 1 67 67 LEU CB C 67 41.941 41.941 41.629 0.312 18942 4713 1 6 . 1 1 67 67 LEU H H 67 8.154 8.154 8.321 -0.167 18942 4714 1 6 . 1 1 68 68 VAL N N 68 117.110 117.110 118.534 -1.424 18942 4715 1 6 . 1 1 68 68 VAL C C 68 179.736 179.736 177.221 2.515 18942 4716 1 6 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.973 0.220 18942 4717 1 6 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.572 0.624 18942 4718 1 6 . 1 1 68 68 VAL H H 68 7.110 7.110 8.217 -1.107 18942 4719 1 6 . 1 1 69 69 ALA N N 69 119.661 119.661 121.151 -1.490 18942 4720 1 6 . 1 1 69 69 ALA C C 69 181.653 181.653 179.066 2.587 18942 4721 1 6 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.735 0.345 18942 4722 1 6 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.546 2.534 18942 4723 1 6 . 1 1 69 69 ALA H H 69 6.970 6.970 7.554 -0.584 18942 4724 1 6 . 1 1 70 70 ALA N N 70 120.071 120.071 121.522 -1.451 18942 4725 1 6 . 1 1 70 70 ALA C C 70 178.758 178.758 179.104 -0.346 18942 4726 1 6 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.386 -0.283 18942 4727 1 6 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.632 -0.535 18942 4728 1 6 . 1 1 70 70 ALA H H 70 8.881 8.881 8.016 0.865 18942 4729 1 6 . 1 1 71 71 LYS N N 71 112.889 112.889 116.387 -3.498 18942 4730 1 6 . 1 1 71 71 LYS C C 71 177.551 177.551 178.090 -0.539 18942 4731 1 6 . 1 1 71 71 LYS CA C 71 58.190 58.190 57.960 0.230 18942 4732 1 6 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.262 0.575 18942 4733 1 6 . 1 1 71 71 LYS H H 71 7.124 7.124 7.712 -0.588 18942 4734 1 6 . 1 1 72 72 LYS N N 72 114.633 114.633 120.926 -6.293 18942 4735 1 6 . 1 1 72 72 LYS C C 72 176.789 176.789 177.236 -0.447 18942 4736 1 6 . 1 1 72 72 LYS CA C 72 55.865 55.865 58.168 -2.303 18942 4737 1 6 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.412 -0.005 18942 4738 1 6 . 1 1 72 72 LYS H H 72 7.150 7.150 7.588 -0.438 18942 4739 1 6 . 1 1 73 73 ILE N N 73 120.045 120.045 122.438 -2.393 18942 4740 1 6 . 1 1 73 73 ILE C C 73 176.494 176.494 174.546 1.948 18942 4741 1 6 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.662 1.367 18942 4742 1 6 . 1 1 73 73 ILE CB C 73 37.347 37.347 36.583 0.764 18942 4743 1 6 . 1 1 73 73 ILE H H 73 7.164 7.164 7.938 -0.774 18942 4744 1 6 . 1 1 74 74 VAL N N 74 126.199 126.199 122.322 3.877 18942 4745 1 6 . 1 1 74 74 VAL C C 74 174.021 174.021 174.278 -0.257 18942 4746 1 6 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.680 -0.033 18942 4747 1 6 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.304 0.669 18942 4748 1 6 . 1 1 74 74 VAL H H 74 8.174 8.174 7.483 0.691 18942 4749 1 6 . 1 1 75 75 GLN N N 75 123.009 123.009 123.011 -0.002 18942 4750 1 6 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.920 0.558 18942 4751 1 6 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.703 -2.572 18942 4752 1 6 . 1 1 75 75 GLN H H 75 7.569 7.569 6.975 0.594 18942 4753 1 6 . 1 1 76 76 ARG N N 76 129.740 129.740 123.851 5.889 18942 4754 1 6 . 1 1 76 76 ARG C C 76 178.628 178.628 176.009 2.619 18942 4755 1 6 . 1 1 76 76 ARG CA C 76 57.917 57.917 56.086 1.831 18942 4756 1 6 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.942 -1.163 18942 4757 1 6 . 1 1 76 76 ARG H H 76 9.670 9.670 8.565 1.105 18942 4758 1 6 . 1 1 77 77 GLY N N 77 106.443 106.443 105.905 0.538 18942 4759 1 6 . 1 1 77 77 GLY C C 77 174.221 174.221 173.261 0.960 18942 4760 1 6 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.208 0.708 18942 4761 1 6 . 1 1 77 77 GLY H H 77 7.360 7.360 7.548 -0.188 18942 4762 1 6 . 1 1 78 78 GLY N N 78 103.622 103.622 109.201 -5.579 18942 4763 1 6 . 1 1 78 78 GLY C C 78 172.710 172.710 174.402 -1.692 18942 4764 1 6 . 1 1 78 78 GLY CA C 78 46.986 46.986 43.932 3.054 18942 4765 1 6 . 1 1 78 78 GLY H H 78 7.851 7.851 8.176 -0.325 18942 4766 1 6 . 1 1 79 79 ARG N N 79 124.452 124.452 122.224 2.228 18942 4767 1 6 . 1 1 79 79 ARG C C 79 174.484 174.484 176.168 -1.684 18942 4768 1 6 . 1 1 79 79 ARG CA C 79 57.437 57.437 55.071 2.366 18942 4769 1 6 . 1 1 79 79 ARG CB C 79 30.338 30.338 30.586 -0.248 18942 4770 1 6 . 1 1 79 79 ARG H H 79 9.952 9.952 9.707 0.245 18942 4771 1 6 . 1 1 80 80 GLN N N 80 113.887 113.887 117.313 -3.426 18942 4772 1 6 . 1 1 80 80 GLN C C 80 173.824 173.824 173.434 0.390 18942 4773 1 6 . 1 1 80 80 GLN CA C 80 55.041 55.041 55.162 -0.121 18942 4774 1 6 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.276 2.380 18942 4775 1 6 . 1 1 80 80 GLN H H 80 7.411 7.411 7.425 -0.014 18942 4776 1 6 . 1 1 81 81 THR N N 81 117.791 117.791 116.366 1.425 18942 4777 1 6 . 1 1 81 81 THR C C 81 175.393 175.393 173.226 2.167 18942 4778 1 6 . 1 1 81 81 THR CA C 81 62.222 62.222 61.682 0.540 18942 4779 1 6 . 1 1 81 81 THR CB C 81 71.140 71.140 70.337 0.803 18942 4780 1 6 . 1 1 81 81 THR H H 81 11.198 11.198 8.394 2.804 18942 4781 1 6 . 1 1 82 82 MET N N 82 128.338 128.338 127.932 0.406 18942 4782 1 6 . 1 1 82 82 MET C C 82 175.011 175.011 176.432 -1.421 18942 4783 1 6 . 1 1 82 82 MET CA C 82 52.078 52.078 52.645 -0.567 18942 4784 1 6 . 1 1 82 82 MET CB C 82 29.146 29.146 33.033 -3.887 18942 4785 1 6 . 1 1 82 82 MET H H 82 8.679 8.679 9.102 -0.423 18942 4786 1 6 . 1 1 83 83 THR N N 83 120.032 120.032 119.186 0.846 18942 4787 1 6 . 1 1 83 83 THR C C 83 175.014 175.014 176.066 -1.052 18942 4788 1 6 . 1 1 83 83 THR CA C 83 65.627 65.627 66.064 -0.438 18942 4789 1 6 . 1 1 83 83 THR CB C 83 69.254 69.254 68.699 0.555 18942 4790 1 6 . 1 1 83 83 THR H H 83 6.986 6.986 9.745 -2.759 18942 4791 1 6 . 1 1 84 84 ALA N N 84 126.207 126.207 123.381 2.826 18942 4792 1 6 . 1 1 84 84 ALA C C 84 179.500 179.500 179.256 0.244 18942 4793 1 6 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.799 1.270 18942 4794 1 6 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.091 -1.361 18942 4795 1 6 . 1 1 84 84 ALA H H 84 10.069 10.069 8.038 2.031 18942 4796 1 6 . 1 1 85 85 LEU N N 85 119.501 119.501 118.781 0.720 18942 4797 1 6 . 1 1 85 85 LEU C C 85 181.098 181.098 179.038 2.060 18942 4798 1 6 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.326 0.580 18942 4799 1 6 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.681 0.088 18942 4800 1 6 . 1 1 85 85 LEU H H 85 8.166 8.166 7.589 0.577 18942 4801 1 6 . 1 1 86 86 GLY N N 86 110.546 110.546 107.398 3.148 18942 4802 1 6 . 1 1 86 86 GLY C C 86 174.135 174.135 176.234 -2.099 18942 4803 1 6 . 1 1 86 86 GLY CA C 86 47.323 47.323 46.878 0.445 18942 4804 1 6 . 1 1 86 86 GLY H H 86 8.720 8.720 7.562 1.158 18942 4805 1 6 . 1 1 87 87 ILE N N 87 120.213 120.213 121.909 -1.696 18942 4806 1 6 . 1 1 87 87 ILE C C 87 177.503 177.503 177.625 -0.122 18942 4807 1 6 . 1 1 87 87 ILE CA C 87 66.253 66.253 63.103 3.150 18942 4808 1 6 . 1 1 87 87 ILE CB C 87 38.911 38.911 36.619 2.292 18942 4809 1 6 . 1 1 87 87 ILE H H 87 8.141 8.141 7.783 0.358 18942 4810 1 6 . 1 1 88 88 ASP N N 88 118.326 118.326 120.348 -2.022 18942 4811 1 6 . 1 1 88 88 ASP C C 88 178.751 178.751 178.638 0.113 18942 4812 1 6 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.603 -0.035 18942 4813 1 6 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.951 2.297 18942 4814 1 6 . 1 1 88 88 ASP H H 88 8.512 8.512 8.457 0.055 18942 4815 1 6 . 1 1 89 89 THR N N 89 112.028 112.028 116.293 -4.265 18942 4816 1 6 . 1 1 89 89 THR C C 89 176.400 176.400 176.379 0.021 18942 4817 1 6 . 1 1 89 89 THR CA C 89 68.345 68.345 65.531 2.814 18942 4818 1 6 . 1 1 89 89 THR CB C 89 67.082 67.082 68.988 -1.906 18942 4819 1 6 . 1 1 89 89 THR H H 89 8.470 8.470 7.933 0.537 18942 4820 1 6 . 1 1 90 90 ALA N N 90 124.209 124.209 124.179 0.030 18942 4821 1 6 . 1 1 90 90 ALA C C 90 178.756 178.756 178.790 -0.034 18942 4822 1 6 . 1 1 90 90 ALA CA C 90 56.016 56.016 54.872 1.144 18942 4823 1 6 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.355 0.654 18942 4824 1 6 . 1 1 90 90 ALA H H 90 8.159 8.159 8.067 0.092 18942 4825 1 6 . 1 1 91 91 ARG N N 91 116.481 116.481 117.165 -0.684 18942 4826 1 6 . 1 1 91 91 ARG C C 91 177.990 177.990 178.472 -0.482 18942 4827 1 6 . 1 1 91 91 ARG CA C 91 60.729 60.729 59.555 1.174 18942 4828 1 6 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.072 -0.154 18942 4829 1 6 . 1 1 91 91 ARG H H 91 8.479 8.479 8.363 0.116 18942 4830 1 6 . 1 1 92 92 LYS N N 92 113.675 113.675 117.995 -4.320 18942 4831 1 6 . 1 1 92 92 LYS C C 92 178.208 178.208 177.568 0.640 18942 4832 1 6 . 1 1 92 92 LYS CA C 92 58.980 58.980 58.216 0.764 18942 4833 1 6 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.077 1.156 18942 4834 1 6 . 1 1 92 92 LYS H H 92 8.073 8.073 7.560 0.513 18942 4835 1 6 . 1 1 93 93 GLU N N 93 112.950 112.950 118.040 -5.090 18942 4836 1 6 . 1 1 93 93 GLU C C 93 178.160 178.160 177.307 0.853 18942 4837 1 6 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.928 -0.628 18942 4838 1 6 . 1 1 93 93 GLU CB C 93 33.059 33.059 29.851 3.208 18942 4839 1 6 . 1 1 93 93 GLU H H 93 8.678 8.678 8.012 0.666 18942 4840 1 6 . 1 1 94 94 ALA N N 94 119.150 119.150 122.242 -3.092 18942 4841 1 6 . 1 1 94 94 ALA C C 94 177.262 177.262 178.456 -1.194 18942 4842 1 6 . 1 1 94 94 ALA CA C 94 55.111 55.111 53.458 1.653 18942 4843 1 6 . 1 1 94 94 ALA CB C 94 20.213 20.213 19.265 0.948 18942 4844 1 6 . 1 1 94 94 ALA H H 94 8.529 8.529 7.607 0.922 18942 4845 1 6 . 1 1 95 95 PHE N N 95 111.282 111.282 118.625 -7.343 18942 4846 1 6 . 1 1 95 95 PHE C C 95 175.308 175.308 174.838 0.470 18942 4847 1 6 . 1 1 95 95 PHE CA C 95 56.984 56.984 56.703 0.281 18942 4848 1 6 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.142 0.823 18942 4849 1 6 . 1 1 95 95 PHE H H 95 6.981 6.981 7.624 -0.643 18942 4850 1 6 . 1 1 96 96 THR N N 96 106.274 106.274 114.619 -8.345 18942 4851 1 6 . 1 1 96 96 THR CA C 96 59.540 59.540 59.487 0.053 18942 4852 1 6 . 1 1 96 96 THR CB C 96 71.910 71.910 70.819 1.091 18942 4853 1 6 . 1 1 96 96 THR H H 96 6.842 6.842 7.612 -0.770 18942 4854 1 6 . 1 1 98 98 ALA C C 98 179.284 179.284 178.477 0.807 18942 4855 1 6 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.079 0.942 18942 4856 1 6 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.779 -0.123 18942 4857 1 6 . 1 1 99 99 ARG N N 99 114.439 114.439 117.234 -2.795 18942 4858 1 6 . 1 1 99 99 ARG C C 99 174.052 174.052 175.635 -1.583 18942 4859 1 6 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.879 1.836 18942 4860 1 6 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.439 -0.165 18942 4861 1 6 . 1 1 99 99 ARG H H 99 7.061 7.061 7.753 -0.692 18942 4862 1 6 . 1 1 100 100 GLY N N 100 101.608 101.608 107.294 -5.686 18942 4863 1 6 . 1 1 100 100 GLY C C 100 174.164 174.164 173.192 0.972 18942 4864 1 6 . 1 1 100 100 GLY CA C 100 45.710 45.710 45.030 0.680 18942 4865 1 6 . 1 1 100 100 GLY H H 100 7.496 7.496 7.658 -0.162 18942 4866 1 6 . 1 1 101 101 ALA N N 101 123.007 123.007 121.009 1.998 18942 4867 1 6 . 1 1 101 101 ALA C C 101 177.955 177.955 177.121 0.834 18942 4868 1 6 . 1 1 101 101 ALA CA C 101 53.120 53.120 50.844 2.276 18942 4869 1 6 . 1 1 101 101 ALA CB C 101 18.525 18.525 21.527 -3.002 18942 4870 1 6 . 1 1 101 101 ALA H H 101 7.691 7.691 7.567 0.124 18942 4871 1 6 . 1 1 102 102 ARG N N 102 124.837 124.837 121.780 3.057 18942 4872 1 6 . 1 1 102 102 ARG C C 102 176.459 176.459 177.910 -1.451 18942 4873 1 6 . 1 1 102 102 ARG CA C 102 55.186 55.186 55.062 0.124 18942 4874 1 6 . 1 1 102 102 ARG CB C 102 32.273 32.273 30.899 1.374 18942 4875 1 6 . 1 1 102 102 ARG H H 102 9.456 9.456 8.551 0.905 18942 4876 1 6 . 1 1 103 103 ARG N N 103 123.729 123.729 119.988 3.741 18942 4877 1 6 . 1 1 103 103 ARG CA C 103 57.793 57.793 55.942 1.851 18942 4878 1 6 . 1 1 103 103 ARG CB C 103 30.039 30.039 28.726 1.313 18942 4879 1 6 . 1 1 103 103 ARG H H 103 8.520 8.520 8.692 -0.172 18942 4880 1 6 . 1 1 104 104 GLY N N 104 108.061 108.061 107.801 0.260 18942 4881 1 6 . 1 1 104 104 GLY CA C 104 45.909 45.909 45.106 0.803 18942 4882 1 6 . 1 1 104 104 GLY H H 104 8.345 8.345 7.556 0.789 18942 4883 1 6 . 1 1 105 105 VAL N N 105 118.807 118.807 120.837 -2.030 18942 4884 1 6 . 1 1 105 105 VAL C C 105 176.102 176.102 174.673 1.429 18942 4885 1 6 . 1 1 105 105 VAL CA C 105 61.805 61.805 61.474 0.331 18942 4886 1 6 . 1 1 105 105 VAL CB C 105 31.820 31.820 31.901 -0.081 18942 4887 1 6 . 1 1 105 105 VAL H H 105 7.298 7.298 8.406 -1.108 18942 4888 1 6 . 1 1 106 106 LYS N N 106 127.841 127.841 124.177 3.664 18942 4889 1 6 . 1 1 106 106 LYS C C 106 174.143 174.143 174.911 -0.768 18942 4890 1 6 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.614 1.033 18942 4891 1 6 . 1 1 106 106 LYS CB C 106 33.387 33.387 30.361 3.026 18942 4892 1 6 . 1 1 106 106 LYS H H 106 8.288 8.288 7.931 0.357 18942 4893 1 6 . 1 1 107 107 LYS N N 107 122.939 122.939 121.799 1.140 18942 4894 1 6 . 1 1 107 107 LYS C C 107 176.540 176.540 175.979 0.561 18942 4895 1 6 . 1 1 107 107 LYS CA C 107 55.587 55.587 56.238 -0.651 18942 4896 1 6 . 1 1 107 107 LYS CB C 107 35.607 35.607 32.897 2.711 18942 4897 1 6 . 1 1 107 107 LYS H H 107 8.401 8.401 8.211 0.190 18942 4898 1 6 . 1 1 108 108 VAL N N 108 122.376 122.376 124.924 -2.548 18942 4899 1 6 . 1 1 108 108 VAL C C 108 174.507 174.507 174.970 -0.463 18942 4900 1 6 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.635 -0.624 18942 4901 1 6 . 1 1 108 108 VAL CB C 108 36.923 36.923 35.069 1.854 18942 4902 1 6 . 1 1 108 108 VAL H H 108 8.940 8.940 9.145 -0.205 18942 4903 1 6 . 1 1 109 109 MET N N 109 124.377 124.377 125.805 -1.428 18942 4904 1 6 . 1 1 109 109 MET C C 109 175.232 175.232 174.778 0.454 18942 4905 1 6 . 1 1 109 109 MET CA C 109 54.123 54.123 54.848 -0.725 18942 4906 1 6 . 1 1 109 109 MET CB C 109 39.360 39.360 35.908 3.452 18942 4907 1 6 . 1 1 109 109 MET H H 109 9.599 9.599 9.475 0.124 18942 4908 1 6 . 1 1 110 110 VAL N N 110 123.296 123.296 125.349 -2.053 18942 4909 1 6 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.719 -0.521 18942 4910 1 6 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.103 1.072 18942 4911 1 6 . 1 1 110 110 VAL H H 110 8.484 8.484 9.422 -0.938 18942 4912 1 6 . 1 1 111 111 ILE N N 111 128.689 128.689 127.662 1.027 18942 4913 1 6 . 1 1 111 111 ILE C C 111 173.965 173.965 174.726 -0.761 18942 4914 1 6 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.525 1.812 18942 4915 1 6 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.836 -0.547 18942 4916 1 6 . 1 1 111 111 ILE H H 111 9.330 9.330 9.177 0.153 18942 4917 1 6 . 1 1 112 112 VAL N N 112 127.498 127.498 124.958 2.540 18942 4918 1 6 . 1 1 112 112 VAL C C 112 174.932 174.932 174.651 0.281 18942 4919 1 6 . 1 1 112 112 VAL CA C 112 60.642 60.642 59.617 1.026 18942 4920 1 6 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.396 -1.206 18942 4921 1 6 . 1 1 112 112 VAL H H 112 8.376 8.376 8.377 -0.001 18942 4922 1 6 . 1 1 113 113 THR N N 113 116.756 116.756 117.486 -0.730 18942 4923 1 6 . 1 1 113 113 THR C C 113 170.881 170.881 172.596 -1.715 18942 4924 1 6 . 1 1 113 113 THR CA C 113 60.693 60.693 59.917 0.776 18942 4925 1 6 . 1 1 113 113 THR CB C 113 67.772 67.772 70.087 -2.315 18942 4926 1 6 . 1 1 113 113 THR H H 113 8.521 8.521 8.617 -0.096 18942 4927 1 6 . 1 1 114 114 ASP N N 114 122.719 122.719 121.865 0.854 18942 4928 1 6 . 1 1 114 114 ASP C C 114 177.015 177.015 176.698 0.317 18942 4929 1 6 . 1 1 114 114 ASP CA C 114 54.041 54.041 53.393 0.648 18942 4930 1 6 . 1 1 114 114 ASP CB C 114 42.671 42.671 43.227 -0.556 18942 4931 1 6 . 1 1 114 114 ASP H H 114 7.341 7.341 8.605 -1.264 18942 4932 1 6 . 1 1 115 115 GLY N N 115 103.370 103.370 108.787 -5.417 18942 4933 1 6 . 1 1 115 115 GLY C C 115 171.751 171.751 174.155 -2.404 18942 4934 1 6 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.560 1.110 18942 4935 1 6 . 1 1 115 115 GLY H H 115 7.312 7.312 8.088 -0.776 18942 4936 1 6 . 1 1 116 116 GLU N N 116 120.631 120.631 117.057 3.574 18942 4937 1 6 . 1 1 116 116 GLU C C 116 175.037 175.037 176.595 -1.558 18942 4938 1 6 . 1 1 116 116 GLU CA C 116 54.252 54.252 53.827 0.425 18942 4939 1 6 . 1 1 116 116 GLU CB C 116 27.313 27.313 29.824 -2.511 18942 4940 1 6 . 1 1 116 116 GLU H H 116 7.332 7.332 8.149 -0.817 18942 4941 1 6 . 1 1 117 117 SER N N 117 116.730 116.730 118.480 -1.750 18942 4942 1 6 . 1 1 117 117 SER C C 117 176.356 176.356 174.059 2.297 18942 4943 1 6 . 1 1 117 117 SER CA C 117 57.832 57.832 58.461 -0.629 18942 4944 1 6 . 1 1 117 117 SER CB C 117 66.407 66.407 61.423 4.984 18942 4945 1 6 . 1 1 117 117 SER H H 117 7.964 7.964 7.927 0.037 18942 4946 1 6 . 1 1 118 118 HIS N N 118 115.543 115.543 118.674 -3.131 18942 4947 1 6 . 1 1 118 118 HIS C C 118 176.602 176.602 175.038 1.564 18942 4948 1 6 . 1 1 118 118 HIS CA C 118 59.291 59.291 56.575 2.716 18942 4949 1 6 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.241 2.578 18942 4950 1 6 . 1 1 118 118 HIS H H 118 9.274 9.274 8.207 1.067 18942 4951 1 6 . 1 1 119 119 ASP N N 119 120.197 120.197 119.836 0.361 18942 4952 1 6 . 1 1 119 119 ASP CA C 119 52.565 52.565 52.707 -0.142 18942 4953 1 6 . 1 1 119 119 ASP CB C 119 40.309 40.309 40.843 -0.534 18942 4954 1 6 . 1 1 119 119 ASP H H 119 8.160 8.160 8.213 -0.053 18942 4955 1 6 . 1 1 120 120 ASN CA C 120 56.154 56.154 54.184 1.970 18942 4956 1 6 . 1 1 120 120 ASN CB C 120 38.139 38.139 37.813 0.326 18942 4957 1 6 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.056 -1.585 18942 4958 1 6 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.653 -0.143 18942 4959 1 6 . 1 1 122 122 ARG N N 122 117.636 117.636 118.919 -1.283 18942 4960 1 6 . 1 1 122 122 ARG CA C 122 55.611 55.611 59.140 -3.529 18942 4961 1 6 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.436 1.350 18942 4962 1 6 . 1 1 122 122 ARG H H 122 7.299 7.299 7.777 -0.478 18942 4963 1 6 . 1 1 123 123 LEU N N 123 119.507 119.507 117.926 1.581 18942 4964 1 6 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.301 0.170 18942 4965 1 6 . 1 1 123 123 LEU CB C 123 42.176 42.176 40.908 1.268 18942 4966 1 6 . 1 1 123 123 LEU H H 123 7.065 7.065 7.613 -0.548 18942 4967 1 6 . 1 1 124 124 LYS N N 124 116.723 116.723 118.240 -1.517 18942 4968 1 6 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.540 0.933 18942 4969 1 6 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.710 0.165 18942 4970 1 6 . 1 1 124 124 LYS H H 124 8.426 8.426 8.409 0.017 18942 4971 1 6 . 1 1 125 125 LYS N N 125 119.329 119.329 120.082 -0.753 18942 4972 1 6 . 1 1 125 125 LYS CA C 125 58.352 58.352 59.079 -0.727 18942 4973 1 6 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.169 -0.684 18942 4974 1 6 . 1 1 125 125 LYS H H 125 7.746 7.746 7.433 0.313 18942 4975 1 6 . 1 1 126 126 VAL N N 126 117.688 117.688 119.738 -2.050 18942 4976 1 6 . 1 1 126 126 VAL C C 126 178.187 178.187 178.385 -0.198 18942 4977 1 6 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.313 -0.171 18942 4978 1 6 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.642 0.334 18942 4979 1 6 . 1 1 126 126 VAL H H 126 7.450 7.450 7.767 -0.317 18942 4980 1 6 . 1 1 127 127 ILE N N 127 120.125 120.125 121.503 -1.378 18942 4981 1 6 . 1 1 127 127 ILE C C 127 178.008 178.008 178.786 -0.778 18942 4982 1 6 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.159 -0.876 18942 4983 1 6 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.752 -2.383 18942 4984 1 6 . 1 1 127 127 ILE H H 127 8.653 8.653 8.611 0.042 18942 4985 1 6 . 1 1 128 128 GLN N N 128 121.110 121.110 118.941 2.169 18942 4986 1 6 . 1 1 128 128 GLN C C 128 178.258 178.258 178.018 0.240 18942 4987 1 6 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.033 -0.236 18942 4988 1 6 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.058 -0.553 18942 4989 1 6 . 1 1 128 128 GLN H H 128 8.009 8.009 8.251 -0.242 18942 4990 1 6 . 1 1 129 129 ASP N N 129 119.024 119.024 121.479 -2.455 18942 4991 1 6 . 1 1 129 129 ASP C C 129 179.705 179.705 178.327 1.378 18942 4992 1 6 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.890 0.172 18942 4993 1 6 . 1 1 129 129 ASP CB C 129 39.777 39.777 41.140 -1.363 18942 4994 1 6 . 1 1 129 129 ASP H H 129 8.428 8.428 7.987 0.442 18942 4995 1 6 . 1 1 130 130 CYS N N 130 115.536 115.536 117.779 -2.243 18942 4996 1 6 . 1 1 130 130 CYS C C 130 176.824 176.824 176.634 0.190 18942 4997 1 6 . 1 1 130 130 CYS CA C 130 64.211 64.211 61.443 2.768 18942 4998 1 6 . 1 1 130 130 CYS CB C 130 27.770 27.770 26.718 1.052 18942 4999 1 6 . 1 1 130 130 CYS H H 130 7.608 7.608 8.530 -0.922 18942 5000 1 6 . 1 1 131 131 GLU N N 131 123.098 123.098 122.108 0.990 18942 5001 1 6 . 1 1 131 131 GLU C C 131 180.904 180.904 179.063 1.841 18942 5002 1 6 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.305 -0.295 18942 5003 1 6 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.440 -0.022 18942 5004 1 6 . 1 1 131 131 GLU H H 131 8.538 8.538 8.326 0.212 18942 5005 1 6 . 1 1 132 132 ASP N N 132 121.058 121.058 120.061 0.997 18942 5006 1 6 . 1 1 132 132 ASP C C 132 177.666 177.666 177.759 -0.093 18942 5007 1 6 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.480 0.522 18942 5008 1 6 . 1 1 132 132 ASP CB C 132 40.439 40.439 41.148 -0.709 18942 5009 1 6 . 1 1 132 132 ASP H H 132 8.844 8.844 7.764 1.080 18942 5010 1 6 . 1 1 133 133 GLU N N 133 116.312 116.312 116.306 0.006 18942 5011 1 6 . 1 1 133 133 GLU C C 133 174.841 174.841 175.062 -0.221 18942 5012 1 6 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.326 -0.028 18942 5013 1 6 . 1 1 133 133 GLU CB C 133 30.266 30.266 29.960 0.306 18942 5014 1 6 . 1 1 133 133 GLU H H 133 6.997 6.997 7.606 -0.609 18942 5015 1 6 . 1 1 134 134 ASN N N 134 113.879 113.879 114.470 -0.591 18942 5016 1 6 . 1 1 134 134 ASN C C 134 174.994 174.994 175.007 -0.013 18942 5017 1 6 . 1 1 134 134 ASN CA C 134 54.449 54.449 53.747 0.702 18942 5018 1 6 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.091 1.056 18942 5019 1 6 . 1 1 134 134 ASN H H 134 8.069 8.069 7.742 0.327 18942 5020 1 6 . 1 1 135 135 ILE N N 135 118.502 118.502 118.910 -0.408 18942 5021 1 6 . 1 1 135 135 ILE C C 135 175.226 175.226 176.459 -1.233 18942 5022 1 6 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.388 -0.102 18942 5023 1 6 . 1 1 135 135 ILE CB C 135 39.056 39.056 38.742 0.314 18942 5024 1 6 . 1 1 135 135 ILE H H 135 7.583 7.583 8.119 -0.536 18942 5025 1 6 . 1 1 136 136 GLN N N 136 131.359 131.359 127.220 4.139 18942 5026 1 6 . 1 1 136 136 GLN C C 136 174.743 174.743 175.137 -0.394 18942 5027 1 6 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.576 0.512 18942 5028 1 6 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.535 0.850 18942 5029 1 6 . 1 1 136 136 GLN H H 136 7.950 7.950 8.707 -0.757 18942 5030 1 6 . 1 1 137 137 ARG N N 137 124.191 124.191 122.774 1.417 18942 5031 1 6 . 1 1 137 137 ARG C C 137 175.598 175.598 174.797 0.801 18942 5032 1 6 . 1 1 137 137 ARG CA C 137 54.853 54.853 54.847 0.006 18942 5033 1 6 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.167 -1.047 18942 5034 1 6 . 1 1 137 137 ARG H H 137 9.182 9.182 8.061 1.121 18942 5035 1 6 . 1 1 138 138 PHE N N 138 121.323 121.323 123.537 -2.214 18942 5036 1 6 . 1 1 138 138 PHE C C 138 175.241 175.241 174.559 0.682 18942 5037 1 6 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.761 -0.120 18942 5038 1 6 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.913 -0.519 18942 5039 1 6 . 1 1 138 138 PHE H H 138 9.214 9.214 9.491 -0.277 18942 5040 1 6 . 1 1 139 139 SER N N 139 118.044 118.044 119.261 -1.217 18942 5041 1 6 . 1 1 139 139 SER C C 139 171.137 171.137 173.843 -2.706 18942 5042 1 6 . 1 1 139 139 SER CA C 139 55.777 55.777 57.421 -1.644 18942 5043 1 6 . 1 1 139 139 SER CB C 139 66.783 66.783 64.675 2.108 18942 5044 1 6 . 1 1 139 139 SER H H 139 9.601 9.601 9.563 0.038 18942 5045 1 6 . 1 1 140 140 ILE N N 140 123.236 123.236 126.096 -2.860 18942 5046 1 6 . 1 1 140 140 ILE C C 140 174.822 174.822 174.293 0.529 18942 5047 1 6 . 1 1 140 140 ILE CA C 140 56.556 56.556 59.868 -3.312 18942 5048 1 6 . 1 1 140 140 ILE CB C 140 37.629 37.629 41.101 -3.472 18942 5049 1 6 . 1 1 140 140 ILE H H 140 9.066 9.066 9.209 -0.143 18942 5050 1 6 . 1 1 141 141 ALA N N 141 125.375 125.375 128.912 -3.537 18942 5051 1 6 . 1 1 141 141 ALA C C 141 177.131 177.131 175.380 1.751 18942 5052 1 6 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.522 1.595 18942 5053 1 6 . 1 1 141 141 ALA CB C 141 21.403 21.403 22.390 -0.987 18942 5054 1 6 . 1 1 141 141 ALA H H 141 8.790 8.790 8.905 -0.115 18942 5055 1 6 . 1 1 142 142 ILE N N 142 123.744 123.744 122.007 1.737 18942 5056 1 6 . 1 1 142 142 ILE C C 142 174.758 174.758 174.244 0.514 18942 5057 1 6 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.898 -1.705 18942 5058 1 6 . 1 1 142 142 ILE CB C 142 39.082 39.082 41.396 -2.314 18942 5059 1 6 . 1 1 142 142 ILE H H 142 7.973 7.973 8.008 -0.035 18942 5060 1 6 . 1 1 143 143 LEU N N 143 123.041 123.041 125.806 -2.765 18942 5061 1 6 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.923 1.049 18942 5062 1 6 . 1 1 143 143 LEU CB C 143 43.790 43.790 43.840 -0.050 18942 5063 1 6 . 1 1 143 143 LEU H H 143 8.019 8.019 8.388 -0.369 18942 5064 1 6 . 1 1 144 144 GLY N N 144 108.993 108.993 105.825 3.168 18942 5065 1 6 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.679 1.560 18942 5066 1 6 . 1 1 144 144 GLY H H 144 8.581 8.581 8.763 -0.182 18942 5067 1 6 . 1 1 145 145 SER N N 145 114.953 114.953 118.817 -3.864 18942 5068 1 6 . 1 1 145 145 SER CA C 145 58.614 58.614 58.348 0.266 18942 5069 1 6 . 1 1 145 145 SER CB C 145 63.966 63.966 61.787 2.179 18942 5070 1 6 . 1 1 145 145 SER H H 145 8.589 8.589 7.935 0.654 18942 5071 1 6 . 1 1 146 146 TYR N N 146 117.249 117.249 123.964 -6.715 18942 5072 1 6 . 1 1 146 146 TYR CA C 146 56.684 56.684 61.013 -4.329 18942 5073 1 6 . 1 1 146 146 TYR CB C 146 39.174 39.174 37.824 1.350 18942 5074 1 6 . 1 1 146 146 TYR H H 146 7.476 7.476 8.423 -0.947 18942 5075 1 6 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.852 0.035 18942 5076 1 6 . 1 1 147 147 ASN CB C 147 38.657 38.657 38.092 0.565 18942 5077 1 6 . 1 1 148 148 ARG N N 148 123.288 123.288 117.530 5.758 18942 5078 1 6 . 1 1 148 148 ARG CA C 148 55.535 55.535 56.133 -0.598 18942 5079 1 6 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.579 0.185 18942 5080 1 6 . 1 1 148 148 ARG H H 148 8.404 8.404 8.027 0.377 18942 5081 1 6 . 1 1 149 149 GLY N N 149 107.339 107.339 109.434 -2.095 18942 5082 1 6 . 1 1 149 149 GLY CA C 149 45.929 45.929 43.905 2.024 18942 5083 1 6 . 1 1 149 149 GLY H H 149 8.224 8.224 7.828 0.396 18942 5084 1 6 . 1 1 150 150 ASN N N 150 119.090 119.090 119.331 -0.241 18942 5085 1 6 . 1 1 150 150 ASN C C 150 175.341 175.341 175.053 0.288 18942 5086 1 6 . 1 1 150 150 ASN CA C 150 53.387 53.387 53.117 0.270 18942 5087 1 6 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.051 1.655 18942 5088 1 6 . 1 1 150 150 ASN H H 150 8.309 8.309 8.629 -0.320 18942 5089 1 6 . 1 1 151 151 LEU N N 151 121.177 121.177 121.099 0.078 18942 5090 1 6 . 1 1 151 151 LEU C C 151 177.527 177.527 177.015 0.512 18942 5091 1 6 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.659 1.078 18942 5092 1 6 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.921 -0.248 18942 5093 1 6 . 1 1 151 151 LEU H H 151 7.929 7.929 8.248 -0.319 18942 5094 1 6 . 1 1 152 152 SER N N 152 115.325 115.325 114.718 0.607 18942 5095 1 6 . 1 1 152 152 SER C C 152 175.354 175.354 176.144 -0.790 18942 5096 1 6 . 1 1 152 152 SER CA C 152 57.739 57.739 57.814 -0.075 18942 5097 1 6 . 1 1 152 152 SER CB C 152 63.247 63.247 62.871 0.376 18942 5098 1 6 . 1 1 152 152 SER H H 152 8.185 8.185 8.126 0.059 18942 5099 1 6 . 1 1 153 153 THR N N 153 115.287 115.287 121.234 -5.947 18942 5100 1 6 . 1 1 153 153 THR C C 153 175.758 175.758 176.316 -0.558 18942 5101 1 6 . 1 1 153 153 THR CA C 153 63.577 63.577 65.354 -1.777 18942 5102 1 6 . 1 1 153 153 THR CB C 153 69.280 69.280 68.900 0.380 18942 5103 1 6 . 1 1 153 153 THR H H 153 8.134 8.134 8.761 -0.627 18942 5104 1 6 . 1 1 154 154 GLU N N 154 121.501 121.501 120.780 0.721 18942 5105 1 6 . 1 1 154 154 GLU C C 154 178.589 178.589 178.697 -0.108 18942 5106 1 6 . 1 1 154 154 GLU CA C 154 59.978 59.978 59.298 0.680 18942 5107 1 6 . 1 1 154 154 GLU CB C 154 29.348 29.348 29.012 0.336 18942 5108 1 6 . 1 1 154 154 GLU H H 154 8.342 8.342 8.721 -0.379 18942 5109 1 6 . 1 1 155 155 LYS N N 155 117.473 117.473 118.514 -1.041 18942 5110 1 6 . 1 1 155 155 LYS C C 155 179.039 179.039 179.131 -0.092 18942 5111 1 6 . 1 1 155 155 LYS CA C 155 58.776 58.776 58.016 0.760 18942 5112 1 6 . 1 1 155 155 LYS CB C 155 31.843 31.843 32.029 -0.186 18942 5113 1 6 . 1 1 155 155 LYS H H 155 7.752 7.752 7.681 0.071 18942 5114 1 6 . 1 1 156 156 PHE N N 156 120.254 120.254 117.770 2.484 18942 5115 1 6 . 1 1 156 156 PHE C C 156 178.765 178.765 177.740 1.025 18942 5116 1 6 . 1 1 156 156 PHE CA C 156 57.339 57.339 61.131 -3.792 18942 5117 1 6 . 1 1 156 156 PHE CB C 156 37.037 37.037 39.295 -2.258 18942 5118 1 6 . 1 1 156 156 PHE H H 156 7.072 7.072 7.657 -0.585 18942 5119 1 6 . 1 1 157 157 VAL N N 157 118.268 118.268 118.336 -0.068 18942 5120 1 6 . 1 1 157 157 VAL C C 157 177.861 177.861 177.616 0.245 18942 5121 1 6 . 1 1 157 157 VAL CA C 157 67.455 67.455 65.325 2.130 18942 5122 1 6 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.379 0.484 18942 5123 1 6 . 1 1 157 157 VAL H H 157 8.007 8.007 8.063 -0.056 18942 5124 1 6 . 1 1 158 158 GLU N N 158 117.100 117.100 120.824 -3.724 18942 5125 1 6 . 1 1 158 158 GLU C C 158 179.377 179.377 178.559 0.818 18942 5126 1 6 . 1 1 158 158 GLU CA C 158 59.491 59.491 60.380 -0.889 18942 5127 1 6 . 1 1 158 158 GLU CB C 158 29.346 29.346 29.323 0.023 18942 5128 1 6 . 1 1 158 158 GLU H H 158 7.875 7.875 8.246 -0.371 18942 5129 1 6 . 1 1 159 159 GLU N N 159 119.959 119.959 116.838 3.121 18942 5130 1 6 . 1 1 159 159 GLU C C 159 179.622 179.622 177.913 1.709 18942 5131 1 6 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.688 1.663 18942 5132 1 6 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.089 0.270 18942 5133 1 6 . 1 1 159 159 GLU H H 159 7.746 7.746 8.501 -0.755 18942 5134 1 6 . 1 1 160 160 ILE N N 160 119.530 119.530 118.143 1.387 18942 5135 1 6 . 1 1 160 160 ILE C C 160 180.262 180.262 177.904 2.358 18942 5136 1 6 . 1 1 160 160 ILE CA C 160 66.305 66.305 63.172 3.134 18942 5137 1 6 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.873 0.445 18942 5138 1 6 . 1 1 160 160 ILE H H 160 8.094 8.094 7.567 0.527 18942 5139 1 6 . 1 1 161 161 LYS N N 161 121.437 121.437 120.923 0.514 18942 5140 1 6 . 1 1 161 161 LYS C C 161 178.518 178.518 178.951 -0.433 18942 5141 1 6 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.182 1.474 18942 5142 1 6 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.242 1.359 18942 5143 1 6 . 1 1 161 161 LYS H H 161 8.500 8.500 8.452 0.048 18942 5144 1 6 . 1 1 162 162 SER N N 162 113.380 113.380 115.513 -2.133 18942 5145 1 6 . 1 1 162 162 SER C C 162 174.773 174.773 175.344 -0.571 18942 5146 1 6 . 1 1 162 162 SER CA C 162 61.208 61.208 59.672 1.536 18942 5147 1 6 . 1 1 162 162 SER CB C 162 62.725 62.725 62.582 0.143 18942 5148 1 6 . 1 1 162 162 SER H H 162 7.653 7.653 7.694 -0.041 18942 5149 1 6 . 1 1 163 163 ILE N N 163 121.115 121.115 120.358 0.757 18942 5150 1 6 . 1 1 163 163 ILE C C 163 175.371 175.371 176.038 -0.667 18942 5151 1 6 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.724 -0.870 18942 5152 1 6 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.157 1.480 18942 5153 1 6 . 1 1 163 163 ILE H H 163 7.068 7.068 7.474 -0.406 18942 5154 1 6 . 1 1 164 164 ALA N N 164 120.332 120.332 120.896 -0.564 18942 5155 1 6 . 1 1 164 164 ALA C C 164 178.713 178.713 177.167 1.546 18942 5156 1 6 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.788 0.765 18942 5157 1 6 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.122 0.698 18942 5158 1 6 . 1 1 164 164 ALA H H 164 6.801 6.801 7.291 -0.490 18942 5159 1 6 . 1 1 165 165 SER N N 165 120.959 120.959 119.297 1.662 18942 5160 1 6 . 1 1 165 165 SER C C 165 171.079 171.079 175.099 -4.020 18942 5161 1 6 . 1 1 165 165 SER CA C 165 61.464 61.464 59.619 1.845 18942 5162 1 6 . 1 1 165 165 SER CB C 165 61.858 61.858 63.738 -1.880 18942 5163 1 6 . 1 1 165 165 SER H H 165 8.656 8.656 8.563 0.093 18942 5164 1 6 . 1 1 166 166 GLU N N 166 116.428 116.428 121.594 -5.166 18942 5165 1 6 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.545 -0.398 18942 5166 1 6 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.418 0.639 18942 5167 1 6 . 1 1 166 166 GLU H H 166 7.949 7.949 7.842 0.107 18942 5168 1 6 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.548 -1.764 18942 5169 1 6 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.169 2.300 18942 5170 1 6 . 1 1 168 168 THR C C 168 176.433 176.433 176.574 -0.141 18942 5171 1 6 . 1 1 168 168 THR CA C 168 67.606 67.606 65.642 1.964 18942 5172 1 6 . 1 1 168 168 THR CB C 168 69.086 69.086 68.685 0.401 18942 5173 1 6 . 1 1 169 169 GLU N N 169 118.116 118.116 120.638 -2.522 18942 5174 1 6 . 1 1 169 169 GLU C C 169 177.434 177.434 177.333 0.101 18942 5175 1 6 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.800 0.149 18942 5176 1 6 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.347 -0.776 18942 5177 1 6 . 1 1 169 169 GLU H H 169 9.598 9.598 8.728 0.870 18942 5178 1 6 . 1 1 170 170 LYS N N 170 114.965 114.965 113.767 1.198 18942 5179 1 6 . 1 1 170 170 LYS C C 170 173.967 173.967 176.121 -2.154 18942 5180 1 6 . 1 1 170 170 LYS CA C 170 56.221 56.221 55.701 0.520 18942 5181 1 6 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.576 1.238 18942 5182 1 6 . 1 1 170 170 LYS H H 170 7.300 7.300 7.606 -0.306 18942 5183 1 6 . 1 1 171 171 HIS N N 171 112.017 112.017 115.520 -3.503 18942 5184 1 6 . 1 1 171 171 HIS C C 171 171.860 171.860 173.164 -1.304 18942 5185 1 6 . 1 1 171 171 HIS CA C 171 57.840 57.840 57.267 0.573 18942 5186 1 6 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.648 0.047 18942 5187 1 6 . 1 1 171 171 HIS H H 171 7.198 7.198 8.148 -0.950 18942 5188 1 6 . 1 1 172 172 PHE N N 172 121.188 121.188 121.695 -0.507 18942 5189 1 6 . 1 1 172 172 PHE C C 172 172.383 172.383 173.093 -0.710 18942 5190 1 6 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.170 -0.960 18942 5191 1 6 . 1 1 172 172 PHE CB C 172 41.412 41.412 41.430 -0.018 18942 5192 1 6 . 1 1 172 172 PHE H H 172 7.342 7.342 8.369 -1.027 18942 5193 1 6 . 1 1 173 173 PHE N N 173 120.855 120.855 123.840 -2.985 18942 5194 1 6 . 1 1 173 173 PHE C C 173 173.751 173.751 173.280 0.471 18942 5195 1 6 . 1 1 173 173 PHE CA C 173 55.895 55.895 56.689 -0.794 18942 5196 1 6 . 1 1 173 173 PHE CB C 173 45.217 45.217 43.790 1.427 18942 5197 1 6 . 1 1 173 173 PHE H H 173 8.012 8.012 8.364 -0.352 18942 5198 1 6 . 1 1 174 174 ASN N N 174 118.624 118.624 118.163 0.461 18942 5199 1 6 . 1 1 174 174 ASN C C 174 176.826 176.826 176.916 -0.090 18942 5200 1 6 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.031 1.267 18942 5201 1 6 . 1 1 174 174 ASN CB C 174 40.549 40.549 41.333 -0.784 18942 5202 1 6 . 1 1 174 174 ASN H H 174 8.760 8.760 8.495 0.265 18942 5203 1 6 . 1 1 175 175 VAL N N 175 122.779 122.779 122.150 0.629 18942 5204 1 6 . 1 1 175 175 VAL C C 175 174.743 174.743 176.485 -1.742 18942 5205 1 6 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.467 -0.925 18942 5206 1 6 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.559 0.522 18942 5207 1 6 . 1 1 175 175 VAL H H 175 8.349 8.349 8.125 0.224 18942 5208 1 6 . 1 1 176 176 SER N N 176 111.983 111.983 112.131 -0.148 18942 5209 1 6 . 1 1 176 176 SER C C 176 174.583 174.583 174.244 0.339 18942 5210 1 6 . 1 1 176 176 SER CA C 176 57.972 57.972 59.149 -1.177 18942 5211 1 6 . 1 1 176 176 SER CB C 176 63.722 63.722 63.259 0.463 18942 5212 1 6 . 1 1 176 176 SER H H 176 7.933 7.933 7.967 -0.034 18942 5213 1 6 . 1 1 177 177 ASP N N 177 122.321 122.321 121.753 0.568 18942 5214 1 6 . 1 1 177 177 ASP C C 177 178.008 178.008 176.154 1.854 18942 5215 1 6 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.370 0.945 18942 5216 1 6 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.980 -1.294 18942 5217 1 6 . 1 1 177 177 ASP H H 177 7.696 7.696 7.512 0.184 18942 5218 1 6 . 1 1 178 178 GLU N N 178 128.610 128.610 126.331 2.279 18942 5219 1 6 . 1 1 178 178 GLU C C 178 177.787 177.787 177.505 0.282 18942 5220 1 6 . 1 1 178 178 GLU CA C 178 59.124 59.124 58.129 0.995 18942 5221 1 6 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.454 0.270 18942 5222 1 6 . 1 1 178 178 GLU H H 178 9.211 9.211 8.842 0.369 18942 5223 1 6 . 1 1 179 179 LEU N N 179 117.532 117.532 120.122 -2.590 18942 5224 1 6 . 1 1 179 179 LEU C C 179 178.646 178.646 178.041 0.605 18942 5225 1 6 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.358 -1.283 18942 5226 1 6 . 1 1 179 179 LEU CB C 179 41.784 41.784 40.777 1.007 18942 5227 1 6 . 1 1 179 179 LEU H H 179 8.683 8.683 8.661 0.022 18942 5228 1 6 . 1 1 180 180 ALA N N 180 123.387 123.387 122.442 0.945 18942 5229 1 6 . 1 1 180 180 ALA C C 180 178.175 178.175 179.011 -0.836 18942 5230 1 6 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.530 1.427 18942 5231 1 6 . 1 1 180 180 ALA CB C 180 19.321 19.321 18.060 1.261 18942 5232 1 6 . 1 1 180 180 ALA H H 180 7.627 7.627 7.310 0.317 18942 5233 1 6 . 1 1 181 181 LEU N N 181 114.375 114.375 118.240 -3.865 18942 5234 1 6 . 1 1 181 181 LEU C C 181 178.681 178.681 178.825 -0.144 18942 5235 1 6 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.279 0.853 18942 5236 1 6 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.468 -0.330 18942 5237 1 6 . 1 1 181 181 LEU H H 181 7.638 7.638 7.354 0.284 18942 5238 1 6 . 1 1 182 182 VAL N N 182 113.683 113.683 119.342 -5.659 18942 5239 1 6 . 1 1 182 182 VAL C C 182 178.401 178.401 178.025 0.376 18942 5240 1 6 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.919 -1.744 18942 5241 1 6 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.288 0.688 18942 5242 1 6 . 1 1 182 182 VAL H H 182 7.448 7.448 7.380 0.068 18942 5243 1 6 . 1 1 183 183 THR N N 183 116.081 116.081 117.253 -1.172 18942 5244 1 6 . 1 1 183 183 THR C C 183 176.701 176.701 176.716 -0.015 18942 5245 1 6 . 1 1 183 183 THR CA C 183 66.999 66.999 66.987 0.012 18942 5246 1 6 . 1 1 183 183 THR CB C 183 67.885 67.885 68.588 -0.703 18942 5247 1 6 . 1 1 183 183 THR H H 183 7.527 7.527 7.897 -0.370 18942 5248 1 6 . 1 1 184 184 ILE N N 184 124.157 124.157 122.752 1.405 18942 5249 1 6 . 1 1 184 184 ILE C C 184 177.072 177.072 177.647 -0.575 18942 5250 1 6 . 1 1 184 184 ILE CA C 184 66.514 66.514 65.676 0.838 18942 5251 1 6 . 1 1 184 184 ILE CB C 184 38.229 38.229 37.157 1.072 18942 5252 1 6 . 1 1 184 184 ILE H H 184 8.406 8.406 7.761 0.645 18942 5253 1 6 . 1 1 185 185 VAL N N 185 115.165 115.165 119.886 -4.721 18942 5254 1 6 . 1 1 185 185 VAL C C 185 178.544 178.544 177.926 0.618 18942 5255 1 6 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.808 0.194 18942 5256 1 6 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.268 -0.262 18942 5257 1 6 . 1 1 185 185 VAL H H 185 7.429 7.429 8.133 -0.704 18942 5258 1 6 . 1 1 186 186 LYS N N 186 119.326 119.326 118.162 1.164 18942 5259 1 6 . 1 1 186 186 LYS C C 186 179.109 179.109 177.978 1.131 18942 5260 1 6 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.169 0.327 18942 5261 1 6 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.387 0.479 18942 5262 1 6 . 1 1 186 186 LYS H H 186 7.659 7.659 8.132 -0.473 18942 5263 1 6 . 1 1 187 187 THR N N 187 116.582 116.582 113.730 2.852 18942 5264 1 6 . 1 1 187 187 THR C C 187 177.056 177.056 176.609 0.447 18942 5265 1 6 . 1 1 187 187 THR CA C 187 66.358 66.358 65.038 1.320 18942 5266 1 6 . 1 1 187 187 THR CB C 187 69.105 69.105 69.373 -0.268 18942 5267 1 6 . 1 1 187 187 THR H H 187 8.377 8.377 7.510 0.867 18942 5268 1 6 . 1 1 188 188 LEU N N 188 121.469 121.469 122.900 -1.431 18942 5269 1 6 . 1 1 188 188 LEU C C 188 178.177 178.177 178.912 -0.735 18942 5270 1 6 . 1 1 188 188 LEU CA C 188 57.524 57.524 57.345 0.179 18942 5271 1 6 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.685 0.631 18942 5272 1 6 . 1 1 188 188 LEU H H 188 8.262 8.262 8.438 -0.176 18942 5273 1 6 . 1 1 189 189 GLY N N 189 104.655 104.655 104.711 -0.056 18942 5274 1 6 . 1 1 189 189 GLY C C 189 174.400 174.400 174.851 -0.451 18942 5275 1 6 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.317 0.650 18942 5276 1 6 . 1 1 189 189 GLY H H 189 7.898 7.898 7.781 0.117 18942 5277 1 6 . 1 1 190 190 GLU N N 190 119.430 119.430 120.186 -0.756 18942 5278 1 6 . 1 1 190 190 GLU C C 190 176.344 176.344 177.640 -1.296 18942 5279 1 6 . 1 1 190 190 GLU CA C 190 56.871 56.871 55.493 1.378 18942 5280 1 6 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.482 0.171 18942 5281 1 6 . 1 1 190 190 GLU H H 190 7.630 7.630 7.570 0.060 18942 5282 1 6 . 1 1 191 191 ARG N N 191 121.191 121.191 122.527 -1.336 18942 5283 1 6 . 1 1 191 191 ARG C C 191 175.205 175.205 176.103 -0.898 18942 5284 1 6 . 1 1 191 191 ARG CA C 191 56.061 56.061 58.415 -2.354 18942 5285 1 6 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.776 0.081 18942 5286 1 6 . 1 1 191 191 ARG H H 191 8.126 8.126 8.731 -0.605 18942 5287 1 7 . 1 1 2 2 THR N N 2 115.468 115.468 117.267 -1.799 18942 5288 1 7 . 1 1 2 2 THR C C 2 174.211 174.211 174.197 0.014 18942 5289 1 7 . 1 1 2 2 THR CA C 2 61.939 61.939 61.998 -0.059 18942 5290 1 7 . 1 1 2 2 THR CB C 2 70.018 70.018 69.148 0.870 18942 5291 1 7 . 1 1 2 2 THR H H 2 8.002 8.002 8.540 -0.538 18942 5292 1 7 . 1 1 3 3 GLN N N 3 122.804 122.804 120.923 1.881 18942 5293 1 7 . 1 1 3 3 GLN C C 3 174.443 174.443 174.445 -0.002 18942 5294 1 7 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.352 1.208 18942 5295 1 7 . 1 1 3 3 GLN CB C 3 30.049 30.049 29.836 0.213 18942 5296 1 7 . 1 1 3 3 GLN H H 3 8.225 8.225 7.836 0.389 18942 5297 1 7 . 1 1 4 4 LEU N N 4 120.941 120.941 121.813 -0.872 18942 5298 1 7 . 1 1 4 4 LEU C C 4 174.867 174.867 175.710 -0.843 18942 5299 1 7 . 1 1 4 4 LEU CA C 4 54.500 54.500 52.622 1.878 18942 5300 1 7 . 1 1 4 4 LEU CB C 4 47.427 47.427 45.551 1.876 18942 5301 1 7 . 1 1 4 4 LEU H H 4 6.832 6.832 8.273 -1.441 18942 5302 1 7 . 1 1 5 5 ASP N N 5 125.936 125.936 122.729 3.207 18942 5303 1 7 . 1 1 5 5 ASP C C 5 173.417 173.417 175.164 -1.747 18942 5304 1 7 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.626 -0.019 18942 5305 1 7 . 1 1 5 5 ASP CB C 5 42.393 42.393 40.916 1.477 18942 5306 1 7 . 1 1 5 5 ASP H H 5 8.760 8.760 8.550 0.210 18942 5307 1 7 . 1 1 6 6 ILE N N 6 122.489 122.489 124.498 -2.009 18942 5308 1 7 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.871 0.247 18942 5309 1 7 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.720 -1.926 18942 5310 1 7 . 1 1 6 6 ILE H H 6 8.897 8.897 9.339 -0.442 18942 5311 1 7 . 1 1 7 7 VAL N N 7 124.979 124.979 125.017 -0.038 18942 5312 1 7 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.586 0.480 18942 5313 1 7 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.468 -1.306 18942 5314 1 7 . 1 1 7 7 VAL H H 7 9.009 9.009 9.268 -0.259 18942 5315 1 7 . 1 1 8 8 ILE N N 8 127.861 127.861 127.942 -0.081 18942 5316 1 7 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.056 1.785 18942 5317 1 7 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.775 -0.759 18942 5318 1 7 . 1 1 8 8 ILE H H 8 8.758 8.758 9.160 -0.402 18942 5319 1 7 . 1 1 9 9 VAL N N 9 129.205 129.205 127.805 1.400 18942 5320 1 7 . 1 1 9 9 VAL C C 9 173.949 173.949 174.885 -0.936 18942 5321 1 7 . 1 1 9 9 VAL CA C 9 61.475 61.475 60.914 0.561 18942 5322 1 7 . 1 1 9 9 VAL CB C 9 32.396 32.396 33.437 -1.041 18942 5323 1 7 . 1 1 9 9 VAL H H 9 9.713 9.713 9.093 0.620 18942 5324 1 7 . 1 1 10 10 LEU N N 10 123.753 123.753 127.963 -4.210 18942 5325 1 7 . 1 1 10 10 LEU C C 10 174.175 174.175 175.294 -1.119 18942 5326 1 7 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.863 0.863 18942 5327 1 7 . 1 1 10 10 LEU CB C 10 44.609 44.609 43.858 0.751 18942 5328 1 7 . 1 1 10 10 LEU H H 10 9.261 9.261 8.817 0.444 18942 5329 1 7 . 1 1 11 11 ASP N N 11 125.333 125.333 121.701 3.632 18942 5330 1 7 . 1 1 11 11 ASP C C 11 174.405 174.405 176.126 -1.721 18942 5331 1 7 . 1 1 11 11 ASP CA C 11 53.553 53.553 53.332 0.221 18942 5332 1 7 . 1 1 11 11 ASP CB C 11 41.590 41.590 42.854 -1.264 18942 5333 1 7 . 1 1 11 11 ASP H H 11 7.867 7.867 8.588 -0.721 18942 5334 1 7 . 1 1 12 12 GLY N N 12 113.584 113.584 112.047 1.537 18942 5335 1 7 . 1 1 12 12 GLY C C 12 176.010 176.010 174.170 1.840 18942 5336 1 7 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.110 0.604 18942 5337 1 7 . 1 1 12 12 GLY H H 12 8.825 8.825 8.546 0.279 18942 5338 1 7 . 1 1 13 13 SER N N 13 114.408 114.408 117.305 -2.897 18942 5339 1 7 . 1 1 13 13 SER C C 13 173.728 173.728 175.706 -1.978 18942 5340 1 7 . 1 1 13 13 SER CA C 13 58.607 58.607 57.933 0.674 18942 5341 1 7 . 1 1 13 13 SER CB C 13 64.366 64.366 64.867 -0.501 18942 5342 1 7 . 1 1 13 13 SER H H 13 8.668 8.668 8.698 -0.030 18942 5343 1 7 . 1 1 14 14 ASN N N 14 117.122 117.122 119.286 -2.164 18942 5344 1 7 . 1 1 14 14 ASN C C 14 175.323 175.323 176.517 -1.194 18942 5345 1 7 . 1 1 14 14 ASN CA C 14 55.132 55.132 55.506 -0.374 18942 5346 1 7 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.258 -0.523 18942 5347 1 7 . 1 1 14 14 ASN H H 14 8.800 8.800 8.845 -0.045 18942 5348 1 7 . 1 1 15 15 SER N N 15 109.840 109.840 112.740 -2.900 18942 5349 1 7 . 1 1 15 15 SER C C 15 175.252 175.252 174.380 0.872 18942 5350 1 7 . 1 1 15 15 SER CA C 15 60.352 60.352 59.212 1.140 18942 5351 1 7 . 1 1 15 15 SER CB C 15 62.281 62.281 63.507 -1.226 18942 5352 1 7 . 1 1 15 15 SER H H 15 8.949 8.949 8.345 0.604 18942 5353 1 7 . 1 1 16 16 ILE N N 16 125.955 125.955 120.504 5.451 18942 5354 1 7 . 1 1 16 16 ILE C C 16 175.772 175.772 175.770 0.002 18942 5355 1 7 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.149 -0.730 18942 5356 1 7 . 1 1 16 16 ILE CB C 16 34.858 34.858 39.568 -4.710 18942 5357 1 7 . 1 1 16 16 ILE H H 16 7.463 7.463 7.382 0.081 18942 5358 1 7 . 1 1 17 17 TYR N N 17 125.148 125.148 123.388 1.760 18942 5359 1 7 . 1 1 17 17 TYR CA C 17 55.534 55.534 56.523 -0.989 18942 5360 1 7 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.865 4.768 18942 5361 1 7 . 1 1 17 17 TYR H H 17 8.097 8.097 8.377 -0.280 18942 5362 1 7 . 1 1 18 18 PRO C C 18 177.356 177.356 177.325 0.031 18942 5363 1 7 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.364 -0.659 18942 5364 1 7 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.292 0.678 18942 5365 1 7 . 1 1 19 19 TRP N N 19 125.777 125.777 123.513 2.264 18942 5366 1 7 . 1 1 19 19 TRP C C 19 177.067 177.067 177.193 -0.126 18942 5367 1 7 . 1 1 19 19 TRP CA C 19 59.646 59.646 58.848 0.798 18942 5368 1 7 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.956 -0.266 18942 5369 1 7 . 1 1 19 19 TRP H H 19 9.064 9.064 8.992 0.072 18942 5370 1 7 . 1 1 20 20 ASP N N 20 112.639 112.639 119.287 -6.648 18942 5371 1 7 . 1 1 20 20 ASP C C 20 178.681 178.681 178.188 0.493 18942 5372 1 7 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.069 -0.855 18942 5373 1 7 . 1 1 20 20 ASP CB C 20 40.384 40.384 39.458 0.926 18942 5374 1 7 . 1 1 20 20 ASP H H 20 8.476 8.476 8.680 -0.204 18942 5375 1 7 . 1 1 21 21 SER N N 21 113.464 113.464 116.230 -2.766 18942 5376 1 7 . 1 1 21 21 SER C C 21 176.264 176.264 176.486 -0.222 18942 5377 1 7 . 1 1 21 21 SER CA C 21 61.853 61.853 61.397 0.456 18942 5378 1 7 . 1 1 21 21 SER CB C 21 63.207 63.207 63.110 0.097 18942 5379 1 7 . 1 1 21 21 SER H H 21 7.436 7.436 7.695 -0.259 18942 5380 1 7 . 1 1 22 22 VAL N N 22 123.136 123.136 121.671 1.465 18942 5381 1 7 . 1 1 22 22 VAL C C 22 177.581 177.581 177.226 0.355 18942 5382 1 7 . 1 1 22 22 VAL CA C 22 66.778 66.778 66.181 0.597 18942 5383 1 7 . 1 1 22 22 VAL CB C 22 30.884 30.884 30.849 0.035 18942 5384 1 7 . 1 1 22 22 VAL H H 22 7.130 7.130 7.228 -0.098 18942 5385 1 7 . 1 1 23 23 THR N N 23 110.025 110.025 113.154 -3.129 18942 5386 1 7 . 1 1 23 23 THR C C 23 177.587 177.587 176.392 1.195 18942 5387 1 7 . 1 1 23 23 THR CA C 23 66.080 66.080 66.127 -0.047 18942 5388 1 7 . 1 1 23 23 THR CB C 23 68.089 68.089 68.401 -0.312 18942 5389 1 7 . 1 1 23 23 THR H H 23 7.637 7.637 8.202 -0.565 18942 5390 1 7 . 1 1 24 24 ALA N N 24 123.457 123.457 124.449 -0.992 18942 5391 1 7 . 1 1 24 24 ALA C C 24 178.927 178.927 179.347 -0.420 18942 5392 1 7 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.873 0.591 18942 5393 1 7 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.057 0.434 18942 5394 1 7 . 1 1 24 24 ALA H H 24 7.768 7.768 7.740 0.028 18942 5395 1 7 . 1 1 25 25 PHE N N 25 118.072 118.072 119.784 -1.712 18942 5396 1 7 . 1 1 25 25 PHE CA C 25 61.317 61.317 60.651 0.666 18942 5397 1 7 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.198 -0.260 18942 5398 1 7 . 1 1 25 25 PHE H H 25 7.064 7.064 7.743 -0.679 18942 5399 1 7 . 1 1 26 26 LEU N N 26 115.251 115.251 119.600 -4.349 18942 5400 1 7 . 1 1 26 26 LEU CA C 26 57.703 57.703 58.022 -0.319 18942 5401 1 7 . 1 1 26 26 LEU CB C 26 42.305 42.305 41.265 1.040 18942 5402 1 7 . 1 1 26 26 LEU H H 26 8.016 8.016 8.524 -0.508 18942 5403 1 7 . 1 1 27 27 ASN N N 27 114.759 114.759 118.902 -4.143 18942 5404 1 7 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.844 0.679 18942 5405 1 7 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.301 2.408 18942 5406 1 7 . 1 1 27 27 ASN H H 27 7.842 7.842 8.508 -0.666 18942 5407 1 7 . 1 1 28 28 ASP N N 28 116.899 116.899 120.562 -3.663 18942 5408 1 7 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.566 -0.957 18942 5409 1 7 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.768 -0.330 18942 5410 1 7 . 1 1 28 28 ASP H H 28 7.802 7.802 7.839 -0.037 18942 5411 1 7 . 1 1 29 29 LEU N N 29 118.230 118.230 122.399 -4.169 18942 5412 1 7 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.863 -0.039 18942 5413 1 7 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.597 0.416 18942 5414 1 7 . 1 1 29 29 LEU H H 29 7.970 7.970 7.614 0.356 18942 5415 1 7 . 1 1 30 30 LEU N N 30 114.781 114.781 118.308 -3.527 18942 5416 1 7 . 1 1 30 30 LEU C C 30 178.917 178.917 178.812 0.105 18942 5417 1 7 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.378 0.315 18942 5418 1 7 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.510 1.034 18942 5419 1 7 . 1 1 30 30 LEU H H 30 8.000 8.000 8.184 -0.184 18942 5420 1 7 . 1 1 31 31 GLU N N 31 113.705 113.705 117.873 -4.168 18942 5421 1 7 . 1 1 31 31 GLU C C 31 177.554 177.554 178.300 -0.746 18942 5422 1 7 . 1 1 31 31 GLU CA C 31 58.445 58.445 59.011 -0.566 18942 5423 1 7 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.842 -0.418 18942 5424 1 7 . 1 1 31 31 GLU H H 31 7.880 7.880 8.142 -0.262 18942 5425 1 7 . 1 1 32 32 ARG N N 32 114.470 114.470 116.854 -2.384 18942 5426 1 7 . 1 1 32 32 ARG C C 32 175.851 175.851 177.138 -1.287 18942 5427 1 7 . 1 1 32 32 ARG CA C 32 55.549 55.549 57.075 -1.526 18942 5428 1 7 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.633 -0.047 18942 5429 1 7 . 1 1 32 32 ARG H H 32 7.014 7.014 7.465 -0.451 18942 5430 1 7 . 1 1 33 33 MET N N 33 116.853 116.853 118.213 -1.360 18942 5431 1 7 . 1 1 33 33 MET C C 33 174.809 174.809 175.700 -0.891 18942 5432 1 7 . 1 1 33 33 MET CA C 33 54.694 54.694 54.438 0.257 18942 5433 1 7 . 1 1 33 33 MET CB C 33 35.436 35.436 32.872 2.564 18942 5434 1 7 . 1 1 33 33 MET H H 33 7.528 7.528 7.341 0.187 18942 5435 1 7 . 1 1 34 34 ASP N N 34 123.345 123.345 123.542 -0.197 18942 5436 1 7 . 1 1 34 34 ASP C C 34 173.878 173.878 175.104 -1.226 18942 5437 1 7 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.056 -0.884 18942 5438 1 7 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.680 0.211 18942 5439 1 7 . 1 1 34 34 ASP H H 34 8.784 8.784 8.592 0.192 18942 5440 1 7 . 1 1 35 35 ILE N N 35 123.293 123.293 125.006 -1.713 18942 5441 1 7 . 1 1 35 35 ILE C C 35 176.589 176.589 175.949 0.640 18942 5442 1 7 . 1 1 35 35 ILE CA C 35 58.830 58.830 58.620 0.210 18942 5443 1 7 . 1 1 35 35 ILE CB C 35 38.073 38.073 35.631 2.442 18942 5444 1 7 . 1 1 35 35 ILE H H 35 7.188 7.188 7.636 -0.448 18942 5445 1 7 . 1 1 36 36 GLY N N 36 112.822 112.822 113.710 -0.888 18942 5446 1 7 . 1 1 36 36 GLY CA C 36 45.744 45.744 45.575 0.169 18942 5447 1 7 . 1 1 36 36 GLY H H 36 8.748 8.748 8.051 0.697 18942 5448 1 7 . 1 1 37 37 PRO C C 37 178.427 178.427 176.097 2.330 18942 5449 1 7 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.311 0.538 18942 5450 1 7 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.820 -0.618 18942 5451 1 7 . 1 1 38 38 LYS N N 38 116.281 116.281 114.830 1.451 18942 5452 1 7 . 1 1 38 38 LYS C C 38 176.306 176.306 174.986 1.320 18942 5453 1 7 . 1 1 38 38 LYS CA C 38 54.664 54.664 55.954 -1.290 18942 5454 1 7 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.298 0.347 18942 5455 1 7 . 1 1 38 38 LYS H H 38 8.262 8.262 7.772 0.490 18942 5456 1 7 . 1 1 39 39 GLN N N 39 121.587 121.587 118.116 3.471 18942 5457 1 7 . 1 1 39 39 GLN C C 39 176.105 176.105 175.091 1.014 18942 5458 1 7 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.396 1.052 18942 5459 1 7 . 1 1 39 39 GLN CB C 39 29.540 29.540 32.195 -2.655 18942 5460 1 7 . 1 1 39 39 GLN H H 39 7.680 7.680 7.626 0.054 18942 5461 1 7 . 1 1 40 40 THR N N 40 124.944 124.944 114.031 10.913 18942 5462 1 7 . 1 1 40 40 THR C C 40 172.592 172.592 173.957 -1.365 18942 5463 1 7 . 1 1 40 40 THR CA C 40 63.650 63.650 63.070 0.580 18942 5464 1 7 . 1 1 40 40 THR CB C 40 69.597 69.597 67.082 2.515 18942 5465 1 7 . 1 1 40 40 THR H H 40 8.525 8.525 8.569 -0.044 18942 5466 1 7 . 1 1 41 41 GLN N N 41 122.782 122.782 121.379 1.403 18942 5467 1 7 . 1 1 41 41 GLN C C 41 174.312 174.312 174.973 -0.661 18942 5468 1 7 . 1 1 41 41 GLN CA C 41 55.149 55.149 56.033 -0.884 18942 5469 1 7 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.888 4.038 18942 5470 1 7 . 1 1 41 41 GLN H H 41 8.821 8.821 8.023 0.798 18942 5471 1 7 . 1 1 42 42 VAL N N 42 118.560 118.560 120.171 -1.611 18942 5472 1 7 . 1 1 42 42 VAL C C 42 173.505 173.505 175.420 -1.915 18942 5473 1 7 . 1 1 42 42 VAL CA C 42 60.005 60.005 59.332 0.673 18942 5474 1 7 . 1 1 42 42 VAL CB C 42 36.835 36.835 33.784 3.051 18942 5475 1 7 . 1 1 42 42 VAL H H 42 8.135 8.135 8.220 -0.085 18942 5476 1 7 . 1 1 43 43 GLY N N 43 110.800 110.800 113.552 -2.752 18942 5477 1 7 . 1 1 43 43 GLY C C 43 172.196 172.196 172.789 -0.593 18942 5478 1 7 . 1 1 43 43 GLY CA C 43 43.290 43.290 42.910 0.380 18942 5479 1 7 . 1 1 43 43 GLY H H 43 8.606 8.606 8.628 -0.022 18942 5480 1 7 . 1 1 44 44 ILE N N 44 115.225 115.225 121.845 -6.620 18942 5481 1 7 . 1 1 44 44 ILE C C 44 174.136 174.136 175.074 -0.938 18942 5482 1 7 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.752 0.094 18942 5483 1 7 . 1 1 44 44 ILE CB C 44 41.252 41.252 40.307 0.945 18942 5484 1 7 . 1 1 44 44 ILE H H 44 7.361 7.361 8.441 -1.080 18942 5485 1 7 . 1 1 45 45 VAL N N 45 126.880 126.880 126.369 0.511 18942 5486 1 7 . 1 1 45 45 VAL C C 45 173.113 173.113 174.322 -1.209 18942 5487 1 7 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.544 -0.712 18942 5488 1 7 . 1 1 45 45 VAL CB C 45 35.735 35.735 34.582 1.153 18942 5489 1 7 . 1 1 45 45 VAL H H 45 9.245 9.245 9.178 0.067 18942 5490 1 7 . 1 1 46 46 GLN N N 46 124.650 124.650 125.619 -0.969 18942 5491 1 7 . 1 1 46 46 GLN C C 46 173.879 173.879 174.669 -0.790 18942 5492 1 7 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.454 0.305 18942 5493 1 7 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.358 0.128 18942 5494 1 7 . 1 1 46 46 GLN H H 46 9.333 9.333 8.462 0.871 18942 5495 1 7 . 1 1 47 47 TYR N N 47 123.588 123.588 119.106 4.482 18942 5496 1 7 . 1 1 47 47 TYR C C 47 172.762 172.762 173.401 -0.639 18942 5497 1 7 . 1 1 47 47 TYR CA C 47 55.419 55.419 56.369 -0.950 18942 5498 1 7 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.199 2.305 18942 5499 1 7 . 1 1 47 47 TYR H H 47 9.300 9.300 8.168 1.132 18942 5500 1 7 . 1 1 48 48 GLY N N 48 107.867 107.867 109.561 -1.694 18942 5501 1 7 . 1 1 48 48 GLY C C 48 172.936 172.936 173.524 -0.588 18942 5502 1 7 . 1 1 48 48 GLY CA C 48 48.040 48.040 46.223 1.817 18942 5503 1 7 . 1 1 48 48 GLY H H 48 7.894 7.894 8.486 -0.592 18942 5504 1 7 . 1 1 49 49 GLU N N 49 127.160 127.160 120.463 6.697 18942 5505 1 7 . 1 1 49 49 GLU C C 49 174.960 174.960 176.400 -1.440 18942 5506 1 7 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.138 0.116 18942 5507 1 7 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.682 1.261 18942 5508 1 7 . 1 1 49 49 GLU H H 49 9.355 9.355 8.751 0.604 18942 5509 1 7 . 1 1 50 50 ASN N N 50 112.730 112.730 115.886 -3.156 18942 5510 1 7 . 1 1 50 50 ASN C C 50 174.229 174.229 173.193 1.036 18942 5511 1 7 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.249 -1.444 18942 5512 1 7 . 1 1 50 50 ASN CB C 50 41.127 41.127 41.833 -0.706 18942 5513 1 7 . 1 1 50 50 ASN H H 50 7.494 7.494 7.712 -0.218 18942 5514 1 7 . 1 1 51 51 VAL N N 51 118.965 118.965 119.791 -0.826 18942 5515 1 7 . 1 1 51 51 VAL C C 51 174.904 174.904 175.861 -0.957 18942 5516 1 7 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.922 0.808 18942 5517 1 7 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.299 0.735 18942 5518 1 7 . 1 1 51 51 VAL H H 51 8.647 8.647 8.563 0.084 18942 5519 1 7 . 1 1 52 52 THR N N 52 122.865 122.865 121.241 1.624 18942 5520 1 7 . 1 1 52 52 THR C C 52 173.383 173.383 173.191 0.192 18942 5521 1 7 . 1 1 52 52 THR CA C 52 61.809 61.809 60.769 1.040 18942 5522 1 7 . 1 1 52 52 THR CB C 52 71.943 71.943 70.969 0.974 18942 5523 1 7 . 1 1 52 52 THR H H 52 9.183 9.183 8.979 0.204 18942 5524 1 7 . 1 1 53 53 HIS N N 53 126.441 126.441 122.078 4.363 18942 5525 1 7 . 1 1 53 53 HIS C C 53 175.728 175.728 174.346 1.382 18942 5526 1 7 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.009 3.153 18942 5527 1 7 . 1 1 53 53 HIS CB C 53 31.084 31.084 29.616 1.468 18942 5528 1 7 . 1 1 53 53 HIS H H 53 8.995 8.995 8.401 0.594 18942 5529 1 7 . 1 1 54 54 GLU N N 54 126.720 126.720 124.206 2.514 18942 5530 1 7 . 1 1 54 54 GLU C C 54 178.106 178.106 175.441 2.665 18942 5531 1 7 . 1 1 54 54 GLU CA C 54 57.886 57.886 57.971 -0.085 18942 5532 1 7 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.357 -1.787 18942 5533 1 7 . 1 1 54 54 GLU H H 54 8.901 8.901 8.983 -0.082 18942 5534 1 7 . 1 1 55 55 PHE N N 55 106.460 106.460 116.455 -9.995 18942 5535 1 7 . 1 1 55 55 PHE C C 55 174.320 174.320 175.110 -0.790 18942 5536 1 7 . 1 1 55 55 PHE CA C 55 57.044 57.044 56.528 0.516 18942 5537 1 7 . 1 1 55 55 PHE CB C 55 40.763 40.763 41.892 -1.129 18942 5538 1 7 . 1 1 55 55 PHE H H 55 7.351 7.351 7.931 -0.580 18942 5539 1 7 . 1 1 56 56 ASN N N 56 119.296 119.296 118.704 0.592 18942 5540 1 7 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.864 -0.785 18942 5541 1 7 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.475 0.230 18942 5542 1 7 . 1 1 56 56 ASN H H 56 8.378 8.378 8.621 -0.243 18942 5543 1 7 . 1 1 57 57 LEU C C 57 175.843 175.843 178.019 -2.176 18942 5544 1 7 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.658 0.840 18942 5545 1 7 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.818 1.176 18942 5546 1 7 . 1 1 58 58 ASN N N 58 108.256 108.256 115.469 -7.213 18942 5547 1 7 . 1 1 58 58 ASN C C 58 177.051 177.051 175.486 1.565 18942 5548 1 7 . 1 1 58 58 ASN CA C 58 50.879 50.879 53.598 -2.719 18942 5549 1 7 . 1 1 58 58 ASN CB C 58 38.911 38.911 38.090 0.821 18942 5550 1 7 . 1 1 58 58 ASN H H 58 7.345 7.345 7.807 -0.462 18942 5551 1 7 . 1 1 59 59 LYS N N 59 121.550 121.550 118.736 2.814 18942 5552 1 7 . 1 1 59 59 LYS C C 59 176.380 176.380 174.949 1.431 18942 5553 1 7 . 1 1 59 59 LYS CA C 59 59.241 59.241 55.095 4.146 18942 5554 1 7 . 1 1 59 59 LYS CB C 59 32.863 32.863 31.568 1.295 18942 5555 1 7 . 1 1 59 59 LYS H H 59 7.793 7.793 7.139 0.654 18942 5556 1 7 . 1 1 60 60 TYR N N 60 115.388 115.388 118.691 -3.303 18942 5557 1 7 . 1 1 60 60 TYR C C 60 176.551 176.551 174.904 1.647 18942 5558 1 7 . 1 1 60 60 TYR CA C 60 56.785 56.785 57.342 -0.557 18942 5559 1 7 . 1 1 60 60 TYR CB C 60 40.587 40.587 39.331 1.256 18942 5560 1 7 . 1 1 60 60 TYR H H 60 8.838 8.838 7.403 1.435 18942 5561 1 7 . 1 1 61 61 SER N N 61 113.454 113.454 119.402 -5.948 18942 5562 1 7 . 1 1 61 61 SER C C 61 172.093 172.093 174.321 -2.228 18942 5563 1 7 . 1 1 61 61 SER CA C 61 57.686 57.686 59.648 -1.962 18942 5564 1 7 . 1 1 61 61 SER CB C 61 64.641 64.641 65.141 -0.501 18942 5565 1 7 . 1 1 61 61 SER H H 61 8.869 8.869 9.672 -0.803 18942 5566 1 7 . 1 1 62 62 SER N N 62 110.923 110.923 112.465 -1.542 18942 5567 1 7 . 1 1 62 62 SER C C 62 174.355 174.355 174.324 0.031 18942 5568 1 7 . 1 1 62 62 SER CA C 62 56.928 56.928 57.190 -0.262 18942 5569 1 7 . 1 1 62 62 SER CB C 62 67.154 67.154 66.140 1.014 18942 5570 1 7 . 1 1 62 62 SER H H 62 7.236 7.236 7.478 -0.242 18942 5571 1 7 . 1 1 63 63 THR N N 63 120.405 120.405 119.002 1.403 18942 5572 1 7 . 1 1 63 63 THR C C 63 175.543 175.543 176.149 -0.606 18942 5573 1 7 . 1 1 63 63 THR CA C 63 69.245 69.245 68.091 1.154 18942 5574 1 7 . 1 1 63 63 THR CB C 63 67.203 67.203 68.665 -1.462 18942 5575 1 7 . 1 1 63 63 THR H H 63 9.263 9.263 8.514 0.749 18942 5576 1 7 . 1 1 64 64 GLU N N 64 119.002 119.002 121.558 -2.556 18942 5577 1 7 . 1 1 64 64 GLU C C 64 178.754 178.754 178.453 0.301 18942 5578 1 7 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.786 0.651 18942 5579 1 7 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.265 0.201 18942 5580 1 7 . 1 1 64 64 GLU H H 64 8.873 8.873 8.646 0.227 18942 5581 1 7 . 1 1 65 65 GLU N N 65 114.467 114.467 119.486 -5.019 18942 5582 1 7 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.301 -0.250 18942 5583 1 7 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.595 1.743 18942 5584 1 7 . 1 1 65 65 GLU H H 65 7.299 7.299 7.668 -0.369 18942 5585 1 7 . 1 1 66 66 VAL N N 66 118.486 118.486 119.334 -0.848 18942 5586 1 7 . 1 1 66 66 VAL C C 66 176.723 176.723 177.952 -1.229 18942 5587 1 7 . 1 1 66 66 VAL CA C 66 66.018 66.018 65.849 0.169 18942 5588 1 7 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.333 0.202 18942 5589 1 7 . 1 1 66 66 VAL H H 66 7.361 7.361 7.653 -0.292 18942 5590 1 7 . 1 1 67 67 LEU N N 67 119.314 119.314 121.677 -2.363 18942 5591 1 7 . 1 1 67 67 LEU C C 67 180.087 180.087 178.349 1.738 18942 5592 1 7 . 1 1 67 67 LEU CA C 67 58.000 58.000 57.889 0.111 18942 5593 1 7 . 1 1 67 67 LEU CB C 67 41.941 41.941 41.660 0.281 18942 5594 1 7 . 1 1 67 67 LEU H H 67 8.154 8.154 8.401 -0.247 18942 5595 1 7 . 1 1 68 68 VAL N N 68 117.110 117.110 118.696 -1.586 18942 5596 1 7 . 1 1 68 68 VAL C C 68 179.736 179.736 177.311 2.425 18942 5597 1 7 . 1 1 68 68 VAL CA C 68 66.193 66.193 66.010 0.183 18942 5598 1 7 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.594 0.602 18942 5599 1 7 . 1 1 68 68 VAL H H 68 7.110 7.110 8.345 -1.235 18942 5600 1 7 . 1 1 69 69 ALA N N 69 119.661 119.661 121.506 -1.845 18942 5601 1 7 . 1 1 69 69 ALA C C 69 181.653 181.653 179.173 2.480 18942 5602 1 7 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.988 0.092 18942 5603 1 7 . 1 1 69 69 ALA CB C 69 20.080 20.080 18.035 2.045 18942 5604 1 7 . 1 1 69 69 ALA H H 69 6.970 6.970 7.689 -0.719 18942 5605 1 7 . 1 1 70 70 ALA N N 70 120.071 120.071 121.824 -1.753 18942 5606 1 7 . 1 1 70 70 ALA C C 70 178.758 178.758 179.048 -0.290 18942 5607 1 7 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.584 -0.481 18942 5608 1 7 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.591 -0.494 18942 5609 1 7 . 1 1 70 70 ALA H H 70 8.881 8.881 8.195 0.686 18942 5610 1 7 . 1 1 71 71 LYS N N 71 112.889 112.889 116.403 -3.514 18942 5611 1 7 . 1 1 71 71 LYS C C 71 177.551 177.551 178.160 -0.609 18942 5612 1 7 . 1 1 71 71 LYS CA C 71 58.190 58.190 58.244 -0.054 18942 5613 1 7 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.361 0.476 18942 5614 1 7 . 1 1 71 71 LYS H H 71 7.124 7.124 7.766 -0.642 18942 5615 1 7 . 1 1 72 72 LYS N N 72 114.633 114.633 120.941 -6.308 18942 5616 1 7 . 1 1 72 72 LYS C C 72 176.789 176.789 177.310 -0.521 18942 5617 1 7 . 1 1 72 72 LYS CA C 72 55.865 55.865 58.116 -2.251 18942 5618 1 7 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.604 -0.197 18942 5619 1 7 . 1 1 72 72 LYS H H 72 7.150 7.150 7.594 -0.444 18942 5620 1 7 . 1 1 73 73 ILE N N 73 120.045 120.045 122.372 -2.327 18942 5621 1 7 . 1 1 73 73 ILE C C 73 176.494 176.494 174.708 1.786 18942 5622 1 7 . 1 1 73 73 ILE CA C 73 63.029 63.029 62.238 0.791 18942 5623 1 7 . 1 1 73 73 ILE CB C 73 37.347 37.347 37.009 0.338 18942 5624 1 7 . 1 1 73 73 ILE H H 73 7.164 7.164 8.463 -1.299 18942 5625 1 7 . 1 1 74 74 VAL N N 74 126.199 126.199 121.965 4.234 18942 5626 1 7 . 1 1 74 74 VAL C C 74 174.021 174.021 174.034 -0.013 18942 5627 1 7 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.288 0.359 18942 5628 1 7 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.740 0.233 18942 5629 1 7 . 1 1 74 74 VAL H H 74 8.174 8.174 7.587 0.587 18942 5630 1 7 . 1 1 75 75 GLN N N 75 123.009 123.009 125.531 -2.522 18942 5631 1 7 . 1 1 75 75 GLN CA C 75 55.478 55.478 55.123 0.355 18942 5632 1 7 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.414 -2.283 18942 5633 1 7 . 1 1 75 75 GLN H H 75 7.569 7.569 6.924 0.645 18942 5634 1 7 . 1 1 76 76 ARG N N 76 129.740 129.740 124.197 5.543 18942 5635 1 7 . 1 1 76 76 ARG C C 76 178.628 178.628 175.513 3.115 18942 5636 1 7 . 1 1 76 76 ARG CA C 76 57.917 57.917 55.742 2.175 18942 5637 1 7 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.825 -1.046 18942 5638 1 7 . 1 1 76 76 ARG H H 76 9.670 9.670 8.656 1.014 18942 5639 1 7 . 1 1 77 77 GLY N N 77 106.443 106.443 105.146 1.297 18942 5640 1 7 . 1 1 77 77 GLY C C 77 174.221 174.221 172.727 1.494 18942 5641 1 7 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.526 0.390 18942 5642 1 7 . 1 1 77 77 GLY H H 77 7.360 7.360 7.539 -0.179 18942 5643 1 7 . 1 1 78 78 GLY N N 78 103.622 103.622 105.907 -2.285 18942 5644 1 7 . 1 1 78 78 GLY C C 78 172.710 172.710 173.558 -0.848 18942 5645 1 7 . 1 1 78 78 GLY CA C 78 46.986 46.986 45.139 1.847 18942 5646 1 7 . 1 1 78 78 GLY H H 78 7.851 7.851 7.999 -0.148 18942 5647 1 7 . 1 1 79 79 ARG N N 79 124.452 124.452 123.674 0.778 18942 5648 1 7 . 1 1 79 79 ARG C C 79 174.484 174.484 175.868 -1.384 18942 5649 1 7 . 1 1 79 79 ARG CA C 79 57.437 57.437 55.276 2.161 18942 5650 1 7 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.131 -0.793 18942 5651 1 7 . 1 1 79 79 ARG H H 79 9.952 9.952 9.540 0.412 18942 5652 1 7 . 1 1 80 80 GLN N N 80 113.887 113.887 116.633 -2.746 18942 5653 1 7 . 1 1 80 80 GLN C C 80 173.824 173.824 173.551 0.273 18942 5654 1 7 . 1 1 80 80 GLN CA C 80 55.041 55.041 55.470 -0.429 18942 5655 1 7 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.365 2.290 18942 5656 1 7 . 1 1 80 80 GLN H H 80 7.411 7.411 7.636 -0.225 18942 5657 1 7 . 1 1 81 81 THR N N 81 117.791 117.791 119.925 -2.134 18942 5658 1 7 . 1 1 81 81 THR C C 81 175.393 175.393 173.247 2.146 18942 5659 1 7 . 1 1 81 81 THR CA C 81 62.222 62.222 61.861 0.361 18942 5660 1 7 . 1 1 81 81 THR CB C 81 71.140 71.140 69.577 1.563 18942 5661 1 7 . 1 1 81 81 THR H H 81 11.198 11.198 8.640 2.558 18942 5662 1 7 . 1 1 82 82 MET N N 82 128.338 128.338 126.907 1.431 18942 5663 1 7 . 1 1 82 82 MET C C 82 175.011 175.011 176.857 -1.846 18942 5664 1 7 . 1 1 82 82 MET CA C 82 52.078 52.078 54.252 -2.174 18942 5665 1 7 . 1 1 82 82 MET CB C 82 29.146 29.146 34.160 -5.014 18942 5666 1 7 . 1 1 82 82 MET H H 82 8.679 8.679 9.217 -0.538 18942 5667 1 7 . 1 1 83 83 THR N N 83 120.032 120.032 116.562 3.470 18942 5668 1 7 . 1 1 83 83 THR C C 83 175.014 175.014 176.003 -0.989 18942 5669 1 7 . 1 1 83 83 THR CA C 83 65.627 65.627 65.837 -0.210 18942 5670 1 7 . 1 1 83 83 THR CB C 83 69.254 69.254 69.130 0.123 18942 5671 1 7 . 1 1 83 83 THR H H 83 6.986 6.986 9.586 -2.600 18942 5672 1 7 . 1 1 84 84 ALA N N 84 126.207 126.207 124.109 2.098 18942 5673 1 7 . 1 1 84 84 ALA C C 84 179.500 179.500 178.969 0.531 18942 5674 1 7 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.978 1.091 18942 5675 1 7 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.095 -1.365 18942 5676 1 7 . 1 1 84 84 ALA H H 84 10.069 10.069 7.906 2.163 18942 5677 1 7 . 1 1 85 85 LEU N N 85 119.501 119.501 118.151 1.350 18942 5678 1 7 . 1 1 85 85 LEU C C 85 181.098 181.098 178.582 2.516 18942 5679 1 7 . 1 1 85 85 LEU CA C 85 57.906 57.906 56.981 0.925 18942 5680 1 7 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.807 -0.039 18942 5681 1 7 . 1 1 85 85 LEU H H 85 8.166 8.166 7.539 0.627 18942 5682 1 7 . 1 1 86 86 GLY N N 86 110.546 110.546 107.852 2.694 18942 5683 1 7 . 1 1 86 86 GLY C C 86 174.135 174.135 176.223 -2.088 18942 5684 1 7 . 1 1 86 86 GLY CA C 86 47.323 47.323 46.998 0.325 18942 5685 1 7 . 1 1 86 86 GLY H H 86 8.720 8.720 7.658 1.062 18942 5686 1 7 . 1 1 87 87 ILE N N 87 120.213 120.213 122.434 -2.221 18942 5687 1 7 . 1 1 87 87 ILE C C 87 177.503 177.503 177.295 0.208 18942 5688 1 7 . 1 1 87 87 ILE CA C 87 66.253 66.253 63.936 2.317 18942 5689 1 7 . 1 1 87 87 ILE CB C 87 38.911 38.911 36.540 2.371 18942 5690 1 7 . 1 1 87 87 ILE H H 87 8.141 8.141 8.377 -0.236 18942 5691 1 7 . 1 1 88 88 ASP N N 88 118.326 118.326 120.506 -2.180 18942 5692 1 7 . 1 1 88 88 ASP C C 88 178.751 178.751 178.559 0.192 18942 5693 1 7 . 1 1 88 88 ASP CA C 88 57.569 57.569 58.192 -0.623 18942 5694 1 7 . 1 1 88 88 ASP CB C 88 43.248 43.248 41.113 2.135 18942 5695 1 7 . 1 1 88 88 ASP H H 88 8.512 8.512 8.102 0.410 18942 5696 1 7 . 1 1 89 89 THR N N 89 112.028 112.028 116.212 -4.184 18942 5697 1 7 . 1 1 89 89 THR C C 89 176.400 176.400 176.531 -0.131 18942 5698 1 7 . 1 1 89 89 THR CA C 89 68.345 68.345 65.205 3.140 18942 5699 1 7 . 1 1 89 89 THR CB C 89 67.082 67.082 68.949 -1.867 18942 5700 1 7 . 1 1 89 89 THR H H 89 8.470 8.470 7.674 0.796 18942 5701 1 7 . 1 1 90 90 ALA N N 90 124.209 124.209 124.164 0.045 18942 5702 1 7 . 1 1 90 90 ALA C C 90 178.756 178.756 178.689 0.067 18942 5703 1 7 . 1 1 90 90 ALA CA C 90 56.016 56.016 54.733 1.284 18942 5704 1 7 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.407 0.602 18942 5705 1 7 . 1 1 90 90 ALA H H 90 8.159 8.159 8.179 -0.020 18942 5706 1 7 . 1 1 91 91 ARG N N 91 116.481 116.481 117.179 -0.698 18942 5707 1 7 . 1 1 91 91 ARG C C 91 177.990 177.990 178.045 -0.055 18942 5708 1 7 . 1 1 91 91 ARG CA C 91 60.729 60.729 59.156 1.573 18942 5709 1 7 . 1 1 91 91 ARG CB C 91 29.918 29.918 29.991 -0.073 18942 5710 1 7 . 1 1 91 91 ARG H H 91 8.479 8.479 8.415 0.064 18942 5711 1 7 . 1 1 92 92 LYS N N 92 113.675 113.675 117.389 -3.714 18942 5712 1 7 . 1 1 92 92 LYS C C 92 178.208 178.208 177.576 0.632 18942 5713 1 7 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.795 1.185 18942 5714 1 7 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.239 0.994 18942 5715 1 7 . 1 1 92 92 LYS H H 92 8.073 8.073 7.637 0.436 18942 5716 1 7 . 1 1 93 93 GLU N N 93 112.950 112.950 117.890 -4.940 18942 5717 1 7 . 1 1 93 93 GLU C C 93 178.160 178.160 176.630 1.530 18942 5718 1 7 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.680 -0.380 18942 5719 1 7 . 1 1 93 93 GLU CB C 93 33.059 33.059 29.994 3.065 18942 5720 1 7 . 1 1 93 93 GLU H H 93 8.678 8.678 8.015 0.663 18942 5721 1 7 . 1 1 94 94 ALA N N 94 119.150 119.150 121.121 -1.971 18942 5722 1 7 . 1 1 94 94 ALA C C 94 177.262 177.262 177.053 0.209 18942 5723 1 7 . 1 1 94 94 ALA CA C 94 55.111 55.111 52.864 2.247 18942 5724 1 7 . 1 1 94 94 ALA CB C 94 20.213 20.213 20.037 0.176 18942 5725 1 7 . 1 1 94 94 ALA H H 94 8.529 8.529 7.456 1.073 18942 5726 1 7 . 1 1 95 95 PHE N N 95 111.282 111.282 118.445 -7.163 18942 5727 1 7 . 1 1 95 95 PHE C C 95 175.308 175.308 174.557 0.751 18942 5728 1 7 . 1 1 95 95 PHE CA C 95 56.984 56.984 56.186 0.798 18942 5729 1 7 . 1 1 95 95 PHE CB C 95 37.965 37.965 39.273 -1.308 18942 5730 1 7 . 1 1 95 95 PHE H H 95 6.981 6.981 7.600 -0.619 18942 5731 1 7 . 1 1 96 96 THR N N 96 106.274 106.274 112.675 -6.401 18942 5732 1 7 . 1 1 96 96 THR CA C 96 59.540 59.540 59.272 0.268 18942 5733 1 7 . 1 1 96 96 THR CB C 96 71.910 71.910 70.556 1.354 18942 5734 1 7 . 1 1 96 96 THR H H 96 6.842 6.842 7.701 -0.859 18942 5735 1 7 . 1 1 98 98 ALA C C 98 179.284 179.284 178.557 0.727 18942 5736 1 7 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.227 0.794 18942 5737 1 7 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.701 -0.045 18942 5738 1 7 . 1 1 99 99 ARG N N 99 114.439 114.439 116.040 -1.601 18942 5739 1 7 . 1 1 99 99 ARG C C 99 174.052 174.052 176.090 -2.038 18942 5740 1 7 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.989 1.726 18942 5741 1 7 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.732 -0.458 18942 5742 1 7 . 1 1 99 99 ARG H H 99 7.061 7.061 7.803 -0.742 18942 5743 1 7 . 1 1 100 100 GLY N N 100 101.608 101.608 106.453 -4.845 18942 5744 1 7 . 1 1 100 100 GLY C C 100 174.164 174.164 173.700 0.464 18942 5745 1 7 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.943 0.767 18942 5746 1 7 . 1 1 100 100 GLY H H 100 7.496 7.496 7.892 -0.396 18942 5747 1 7 . 1 1 101 101 ALA N N 101 123.007 123.007 122.816 0.191 18942 5748 1 7 . 1 1 101 101 ALA C C 101 177.955 177.955 177.803 0.152 18942 5749 1 7 . 1 1 101 101 ALA CA C 101 53.120 53.120 52.200 0.920 18942 5750 1 7 . 1 1 101 101 ALA CB C 101 18.525 18.525 20.183 -1.658 18942 5751 1 7 . 1 1 101 101 ALA H H 101 7.691 7.691 7.610 0.081 18942 5752 1 7 . 1 1 102 102 ARG N N 102 124.837 124.837 121.876 2.961 18942 5753 1 7 . 1 1 102 102 ARG C C 102 176.459 176.459 176.981 -0.522 18942 5754 1 7 . 1 1 102 102 ARG CA C 102 55.186 55.186 54.874 0.312 18942 5755 1 7 . 1 1 102 102 ARG CB C 102 32.273 32.273 30.927 1.346 18942 5756 1 7 . 1 1 102 102 ARG H H 102 9.456 9.456 9.421 0.035 18942 5757 1 7 . 1 1 103 103 ARG N N 103 123.729 123.729 119.039 4.690 18942 5758 1 7 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.057 1.736 18942 5759 1 7 . 1 1 103 103 ARG CB C 103 30.039 30.039 29.390 0.649 18942 5760 1 7 . 1 1 103 103 ARG H H 103 8.520 8.520 8.533 -0.013 18942 5761 1 7 . 1 1 104 104 GLY N N 104 108.061 108.061 107.800 0.261 18942 5762 1 7 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.825 1.083 18942 5763 1 7 . 1 1 104 104 GLY H H 104 8.345 8.345 7.862 0.483 18942 5764 1 7 . 1 1 105 105 VAL N N 105 118.807 118.807 120.170 -1.363 18942 5765 1 7 . 1 1 105 105 VAL C C 105 176.102 176.102 174.548 1.554 18942 5766 1 7 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.520 1.285 18942 5767 1 7 . 1 1 105 105 VAL CB C 105 31.820 31.820 32.439 -0.619 18942 5768 1 7 . 1 1 105 105 VAL H H 105 7.298 7.298 8.680 -1.382 18942 5769 1 7 . 1 1 106 106 LYS N N 106 127.841 127.841 125.580 2.261 18942 5770 1 7 . 1 1 106 106 LYS C C 106 174.143 174.143 174.878 -0.735 18942 5771 1 7 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.946 0.701 18942 5772 1 7 . 1 1 106 106 LYS CB C 106 33.387 33.387 30.912 2.475 18942 5773 1 7 . 1 1 106 106 LYS H H 106 8.288 8.288 8.607 -0.319 18942 5774 1 7 . 1 1 107 107 LYS N N 107 122.939 122.939 121.627 1.312 18942 5775 1 7 . 1 1 107 107 LYS C C 107 176.540 176.540 176.000 0.540 18942 5776 1 7 . 1 1 107 107 LYS CA C 107 55.587 55.587 56.091 -0.504 18942 5777 1 7 . 1 1 107 107 LYS CB C 107 35.607 35.607 32.443 3.164 18942 5778 1 7 . 1 1 107 107 LYS H H 107 8.401 8.401 8.133 0.268 18942 5779 1 7 . 1 1 108 108 VAL N N 108 122.376 122.376 125.632 -3.256 18942 5780 1 7 . 1 1 108 108 VAL C C 108 174.507 174.507 175.244 -0.737 18942 5781 1 7 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.678 -0.667 18942 5782 1 7 . 1 1 108 108 VAL CB C 108 36.923 36.923 34.241 2.682 18942 5783 1 7 . 1 1 108 108 VAL H H 108 8.940 8.940 9.210 -0.270 18942 5784 1 7 . 1 1 109 109 MET N N 109 124.377 124.377 127.022 -2.645 18942 5785 1 7 . 1 1 109 109 MET C C 109 175.232 175.232 174.934 0.298 18942 5786 1 7 . 1 1 109 109 MET CA C 109 54.123 54.123 54.706 -0.584 18942 5787 1 7 . 1 1 109 109 MET CB C 109 39.360 39.360 34.781 4.579 18942 5788 1 7 . 1 1 109 109 MET H H 109 9.599 9.599 9.449 0.150 18942 5789 1 7 . 1 1 110 110 VAL N N 110 123.296 123.296 125.900 -2.604 18942 5790 1 7 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.758 -0.560 18942 5791 1 7 . 1 1 110 110 VAL CB C 110 34.175 34.175 32.901 1.274 18942 5792 1 7 . 1 1 110 110 VAL H H 110 8.484 8.484 9.333 -0.849 18942 5793 1 7 . 1 1 111 111 ILE N N 111 128.689 128.689 128.175 0.514 18942 5794 1 7 . 1 1 111 111 ILE C C 111 173.965 173.965 174.706 -0.741 18942 5795 1 7 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.484 1.853 18942 5796 1 7 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.922 -0.633 18942 5797 1 7 . 1 1 111 111 ILE H H 111 9.330 9.330 8.959 0.371 18942 5798 1 7 . 1 1 112 112 VAL N N 112 127.498 127.498 126.199 1.299 18942 5799 1 7 . 1 1 112 112 VAL C C 112 174.932 174.932 174.816 0.116 18942 5800 1 7 . 1 1 112 112 VAL CA C 112 60.642 60.642 60.223 0.419 18942 5801 1 7 . 1 1 112 112 VAL CB C 112 33.190 33.190 33.912 -0.722 18942 5802 1 7 . 1 1 112 112 VAL H H 112 8.376 8.376 8.233 0.143 18942 5803 1 7 . 1 1 113 113 THR N N 113 116.756 116.756 117.240 -0.484 18942 5804 1 7 . 1 1 113 113 THR C C 113 170.881 170.881 172.745 -1.864 18942 5805 1 7 . 1 1 113 113 THR CA C 113 60.693 60.693 59.641 1.052 18942 5806 1 7 . 1 1 113 113 THR CB C 113 67.772 67.772 70.210 -2.438 18942 5807 1 7 . 1 1 113 113 THR H H 113 8.521 8.521 8.750 -0.229 18942 5808 1 7 . 1 1 114 114 ASP N N 114 122.719 122.719 123.360 -0.641 18942 5809 1 7 . 1 1 114 114 ASP C C 114 177.015 177.015 175.331 1.684 18942 5810 1 7 . 1 1 114 114 ASP CA C 114 54.041 54.041 54.142 -0.102 18942 5811 1 7 . 1 1 114 114 ASP CB C 114 42.671 42.671 42.863 -0.192 18942 5812 1 7 . 1 1 114 114 ASP H H 114 7.341 7.341 8.774 -1.433 18942 5813 1 7 . 1 1 115 115 GLY N N 115 103.370 103.370 107.925 -4.555 18942 5814 1 7 . 1 1 115 115 GLY C C 115 171.751 171.751 173.803 -2.052 18942 5815 1 7 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.603 1.067 18942 5816 1 7 . 1 1 115 115 GLY H H 115 7.312 7.312 8.041 -0.729 18942 5817 1 7 . 1 1 116 116 GLU N N 116 120.631 120.631 123.054 -2.423 18942 5818 1 7 . 1 1 116 116 GLU C C 116 175.037 175.037 176.125 -1.088 18942 5819 1 7 . 1 1 116 116 GLU CA C 116 54.252 54.252 55.109 -0.857 18942 5820 1 7 . 1 1 116 116 GLU CB C 116 27.313 27.313 29.682 -2.369 18942 5821 1 7 . 1 1 116 116 GLU H H 116 7.332 7.332 8.618 -1.286 18942 5822 1 7 . 1 1 117 117 SER N N 117 116.730 116.730 117.664 -0.934 18942 5823 1 7 . 1 1 117 117 SER C C 117 176.356 176.356 173.622 2.734 18942 5824 1 7 . 1 1 117 117 SER CA C 117 57.832 57.832 59.801 -1.969 18942 5825 1 7 . 1 1 117 117 SER CB C 117 66.407 66.407 61.971 4.436 18942 5826 1 7 . 1 1 117 117 SER H H 117 7.964 7.964 8.566 -0.602 18942 5827 1 7 . 1 1 118 118 HIS N N 118 115.543 115.543 122.817 -7.274 18942 5828 1 7 . 1 1 118 118 HIS C C 118 176.602 176.602 174.221 2.381 18942 5829 1 7 . 1 1 118 118 HIS CA C 118 59.291 59.291 56.122 3.169 18942 5830 1 7 . 1 1 118 118 HIS CB C 118 32.819 32.819 31.984 0.835 18942 5831 1 7 . 1 1 118 118 HIS H H 118 9.274 9.274 8.422 0.852 18942 5832 1 7 . 1 1 119 119 ASP N N 119 120.197 120.197 120.253 -0.056 18942 5833 1 7 . 1 1 119 119 ASP CA C 119 52.565 52.565 53.395 -0.830 18942 5834 1 7 . 1 1 119 119 ASP CB C 119 40.309 40.309 42.870 -2.561 18942 5835 1 7 . 1 1 119 119 ASP H H 119 8.160 8.160 8.413 -0.253 18942 5836 1 7 . 1 1 120 120 ASN CA C 120 56.154 56.154 52.880 3.274 18942 5837 1 7 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.502 -0.363 18942 5838 1 7 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.899 -2.428 18942 5839 1 7 . 1 1 121 121 HIS CB C 121 29.510 29.510 30.007 -0.497 18942 5840 1 7 . 1 1 122 122 ARG N N 122 117.636 117.636 119.027 -1.391 18942 5841 1 7 . 1 1 122 122 ARG CA C 122 55.611 55.611 60.160 -4.549 18942 5842 1 7 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.256 1.530 18942 5843 1 7 . 1 1 122 122 ARG H H 122 7.299 7.299 8.480 -1.181 18942 5844 1 7 . 1 1 123 123 LEU N N 123 119.507 119.507 117.581 1.926 18942 5845 1 7 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.119 0.352 18942 5846 1 7 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.031 1.145 18942 5847 1 7 . 1 1 123 123 LEU H H 123 7.065 7.065 7.925 -0.860 18942 5848 1 7 . 1 1 124 124 LYS N N 124 116.723 116.723 119.408 -2.685 18942 5849 1 7 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.118 1.355 18942 5850 1 7 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.715 0.160 18942 5851 1 7 . 1 1 124 124 LYS H H 124 8.426 8.426 7.953 0.473 18942 5852 1 7 . 1 1 125 125 LYS N N 125 119.329 119.329 120.062 -0.733 18942 5853 1 7 . 1 1 125 125 LYS CA C 125 58.352 58.352 59.124 -0.772 18942 5854 1 7 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.395 -0.911 18942 5855 1 7 . 1 1 125 125 LYS H H 125 7.746 7.746 7.732 0.014 18942 5856 1 7 . 1 1 126 126 VAL N N 126 117.688 117.688 119.343 -1.655 18942 5857 1 7 . 1 1 126 126 VAL C C 126 178.187 178.187 178.124 0.063 18942 5858 1 7 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.300 -0.158 18942 5859 1 7 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.733 0.243 18942 5860 1 7 . 1 1 126 126 VAL H H 126 7.450 7.450 8.101 -0.651 18942 5861 1 7 . 1 1 127 127 ILE N N 127 120.125 120.125 121.066 -0.941 18942 5862 1 7 . 1 1 127 127 ILE C C 127 178.008 178.008 178.671 -0.663 18942 5863 1 7 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.272 -0.989 18942 5864 1 7 . 1 1 127 127 ILE CB C 127 35.369 35.369 38.025 -2.655 18942 5865 1 7 . 1 1 127 127 ILE H H 127 8.653 8.653 8.231 0.422 18942 5866 1 7 . 1 1 128 128 GLN N N 128 121.110 121.110 119.440 1.670 18942 5867 1 7 . 1 1 128 128 GLN C C 128 178.258 178.258 178.030 0.228 18942 5868 1 7 . 1 1 128 128 GLN CA C 128 58.797 58.797 58.818 -0.021 18942 5869 1 7 . 1 1 128 128 GLN CB C 128 27.505 27.505 27.778 -0.273 18942 5870 1 7 . 1 1 128 128 GLN H H 128 8.009 8.009 8.117 -0.108 18942 5871 1 7 . 1 1 129 129 ASP N N 129 119.024 119.024 121.815 -2.791 18942 5872 1 7 . 1 1 129 129 ASP C C 129 179.705 179.705 178.320 1.385 18942 5873 1 7 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.983 0.079 18942 5874 1 7 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.961 -1.184 18942 5875 1 7 . 1 1 129 129 ASP H H 129 8.428 8.428 8.056 0.372 18942 5876 1 7 . 1 1 130 130 CYS N N 130 115.536 115.536 117.690 -2.154 18942 5877 1 7 . 1 1 130 130 CYS C C 130 176.824 176.824 176.514 0.310 18942 5878 1 7 . 1 1 130 130 CYS CA C 130 64.211 64.211 61.059 3.152 18942 5879 1 7 . 1 1 130 130 CYS CB C 130 27.770 27.770 26.930 0.840 18942 5880 1 7 . 1 1 130 130 CYS H H 130 7.608 7.608 8.104 -0.496 18942 5881 1 7 . 1 1 131 131 GLU N N 131 123.098 123.098 122.586 0.512 18942 5882 1 7 . 1 1 131 131 GLU C C 131 180.904 180.904 179.143 1.761 18942 5883 1 7 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.569 -0.559 18942 5884 1 7 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.532 -0.114 18942 5885 1 7 . 1 1 131 131 GLU H H 131 8.538 8.538 8.198 0.340 18942 5886 1 7 . 1 1 132 132 ASP N N 132 121.058 121.058 119.819 1.239 18942 5887 1 7 . 1 1 132 132 ASP C C 132 177.666 177.666 177.882 -0.216 18942 5888 1 7 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.735 0.267 18942 5889 1 7 . 1 1 132 132 ASP CB C 132 40.439 40.439 40.971 -0.532 18942 5890 1 7 . 1 1 132 132 ASP H H 132 8.844 8.844 7.827 1.017 18942 5891 1 7 . 1 1 133 133 GLU N N 133 116.312 116.312 116.774 -0.462 18942 5892 1 7 . 1 1 133 133 GLU C C 133 174.841 174.841 175.330 -0.489 18942 5893 1 7 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.414 -0.116 18942 5894 1 7 . 1 1 133 133 GLU CB C 133 30.266 30.266 29.383 0.883 18942 5895 1 7 . 1 1 133 133 GLU H H 133 6.997 6.997 7.599 -0.602 18942 5896 1 7 . 1 1 134 134 ASN N N 134 113.879 113.879 113.655 0.224 18942 5897 1 7 . 1 1 134 134 ASN C C 134 174.994 174.994 174.831 0.163 18942 5898 1 7 . 1 1 134 134 ASN CA C 134 54.449 54.449 53.855 0.594 18942 5899 1 7 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.201 0.946 18942 5900 1 7 . 1 1 134 134 ASN H H 134 8.069 8.069 7.753 0.316 18942 5901 1 7 . 1 1 135 135 ILE N N 135 118.502 118.502 119.702 -1.200 18942 5902 1 7 . 1 1 135 135 ILE C C 135 175.226 175.226 175.385 -0.159 18942 5903 1 7 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.155 0.131 18942 5904 1 7 . 1 1 135 135 ILE CB C 135 39.056 39.056 38.800 0.256 18942 5905 1 7 . 1 1 135 135 ILE H H 135 7.583 7.583 8.111 -0.528 18942 5906 1 7 . 1 1 136 136 GLN N N 136 131.359 131.359 126.985 4.374 18942 5907 1 7 . 1 1 136 136 GLN C C 136 174.743 174.743 174.878 -0.135 18942 5908 1 7 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.568 0.520 18942 5909 1 7 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.316 1.069 18942 5910 1 7 . 1 1 136 136 GLN H H 136 7.950 7.950 8.526 -0.576 18942 5911 1 7 . 1 1 137 137 ARG N N 137 124.191 124.191 122.445 1.746 18942 5912 1 7 . 1 1 137 137 ARG C C 137 175.598 175.598 174.142 1.456 18942 5913 1 7 . 1 1 137 137 ARG CA C 137 54.853 54.853 53.807 1.046 18942 5914 1 7 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.553 -1.433 18942 5915 1 7 . 1 1 137 137 ARG H H 137 9.182 9.182 7.738 1.444 18942 5916 1 7 . 1 1 138 138 PHE N N 138 121.323 121.323 120.552 0.771 18942 5917 1 7 . 1 1 138 138 PHE C C 138 175.241 175.241 174.559 0.682 18942 5918 1 7 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.842 -0.201 18942 5919 1 7 . 1 1 138 138 PHE CB C 138 42.394 42.394 43.268 -0.874 18942 5920 1 7 . 1 1 138 138 PHE H H 138 9.214 9.214 9.262 -0.048 18942 5921 1 7 . 1 1 139 139 SER N N 139 118.044 118.044 118.023 0.021 18942 5922 1 7 . 1 1 139 139 SER C C 139 171.137 171.137 173.465 -2.328 18942 5923 1 7 . 1 1 139 139 SER CA C 139 55.777 55.777 57.640 -1.863 18942 5924 1 7 . 1 1 139 139 SER CB C 139 66.783 66.783 64.529 2.254 18942 5925 1 7 . 1 1 139 139 SER H H 139 9.601 9.601 9.376 0.225 18942 5926 1 7 . 1 1 140 140 ILE N N 140 123.236 123.236 125.170 -1.934 18942 5927 1 7 . 1 1 140 140 ILE C C 140 174.822 174.822 173.985 0.837 18942 5928 1 7 . 1 1 140 140 ILE CA C 140 56.556 56.556 59.608 -3.052 18942 5929 1 7 . 1 1 140 140 ILE CB C 140 37.629 37.629 40.647 -3.018 18942 5930 1 7 . 1 1 140 140 ILE H H 140 9.066 9.066 9.137 -0.071 18942 5931 1 7 . 1 1 141 141 ALA N N 141 125.375 125.375 128.863 -3.488 18942 5932 1 7 . 1 1 141 141 ALA C C 141 177.131 177.131 175.409 1.722 18942 5933 1 7 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.390 1.727 18942 5934 1 7 . 1 1 141 141 ALA CB C 141 21.403 21.403 22.041 -0.638 18942 5935 1 7 . 1 1 141 141 ALA H H 141 8.790 8.790 8.799 -0.009 18942 5936 1 7 . 1 1 142 142 ILE N N 142 123.744 123.744 123.546 0.198 18942 5937 1 7 . 1 1 142 142 ILE C C 142 174.758 174.758 173.809 0.949 18942 5938 1 7 . 1 1 142 142 ILE CA C 142 58.193 58.193 60.297 -2.104 18942 5939 1 7 . 1 1 142 142 ILE CB C 142 39.082 39.082 40.490 -1.408 18942 5940 1 7 . 1 1 142 142 ILE H H 142 7.973 7.973 8.338 -0.365 18942 5941 1 7 . 1 1 143 143 LEU N N 143 123.041 123.041 124.521 -1.480 18942 5942 1 7 . 1 1 143 143 LEU CA C 143 54.972 54.972 54.567 0.405 18942 5943 1 7 . 1 1 143 143 LEU CB C 143 43.790 43.790 44.541 -0.751 18942 5944 1 7 . 1 1 143 143 LEU H H 143 8.019 8.019 8.154 -0.135 18942 5945 1 7 . 1 1 144 144 GLY N N 144 108.993 108.993 106.698 2.295 18942 5946 1 7 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.934 1.305 18942 5947 1 7 . 1 1 144 144 GLY H H 144 8.581 8.581 8.399 0.182 18942 5948 1 7 . 1 1 145 145 SER N N 145 114.953 114.953 118.547 -3.594 18942 5949 1 7 . 1 1 145 145 SER CA C 145 58.614 58.614 57.215 1.399 18942 5950 1 7 . 1 1 145 145 SER CB C 145 63.966 63.966 62.307 1.659 18942 5951 1 7 . 1 1 145 145 SER H H 145 8.589 8.589 8.240 0.349 18942 5952 1 7 . 1 1 146 146 TYR N N 146 117.249 117.249 121.905 -4.656 18942 5953 1 7 . 1 1 146 146 TYR CA C 146 56.684 56.684 60.448 -3.764 18942 5954 1 7 . 1 1 146 146 TYR CB C 146 39.174 39.174 36.974 2.200 18942 5955 1 7 . 1 1 146 146 TYR H H 146 7.476 7.476 7.594 -0.118 18942 5956 1 7 . 1 1 147 147 ASN CA C 147 53.886 53.886 54.008 -0.122 18942 5957 1 7 . 1 1 147 147 ASN CB C 147 38.657 38.657 38.421 0.236 18942 5958 1 7 . 1 1 148 148 ARG N N 148 123.288 123.288 122.938 0.350 18942 5959 1 7 . 1 1 148 148 ARG CA C 148 55.535 55.535 54.956 0.579 18942 5960 1 7 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.019 0.745 18942 5961 1 7 . 1 1 148 148 ARG H H 148 8.404 8.404 8.400 0.004 18942 5962 1 7 . 1 1 149 149 GLY N N 149 107.339 107.339 109.254 -1.915 18942 5963 1 7 . 1 1 149 149 GLY CA C 149 45.929 45.929 45.381 0.548 18942 5964 1 7 . 1 1 149 149 GLY H H 149 8.224 8.224 7.794 0.430 18942 5965 1 7 . 1 1 150 150 ASN N N 150 119.090 119.090 119.949 -0.859 18942 5966 1 7 . 1 1 150 150 ASN C C 150 175.341 175.341 175.335 0.006 18942 5967 1 7 . 1 1 150 150 ASN CA C 150 53.387 53.387 53.080 0.307 18942 5968 1 7 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.824 0.882 18942 5969 1 7 . 1 1 150 150 ASN H H 150 8.309 8.309 8.665 -0.356 18942 5970 1 7 . 1 1 151 151 LEU N N 151 121.177 121.177 117.564 3.613 18942 5971 1 7 . 1 1 151 151 LEU C C 151 177.527 177.527 177.013 0.514 18942 5972 1 7 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.896 0.841 18942 5973 1 7 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.282 0.391 18942 5974 1 7 . 1 1 151 151 LEU H H 151 7.929 7.929 7.777 0.152 18942 5975 1 7 . 1 1 152 152 SER N N 152 115.325 115.325 115.734 -0.409 18942 5976 1 7 . 1 1 152 152 SER C C 152 175.354 175.354 176.061 -0.707 18942 5977 1 7 . 1 1 152 152 SER CA C 152 57.739 57.739 57.822 -0.083 18942 5978 1 7 . 1 1 152 152 SER CB C 152 63.247 63.247 63.458 -0.211 18942 5979 1 7 . 1 1 152 152 SER H H 152 8.185 8.185 8.280 -0.095 18942 5980 1 7 . 1 1 153 153 THR N N 153 115.287 115.287 119.154 -3.867 18942 5981 1 7 . 1 1 153 153 THR C C 153 175.758 175.758 176.278 -0.520 18942 5982 1 7 . 1 1 153 153 THR CA C 153 63.577 63.577 64.596 -1.019 18942 5983 1 7 . 1 1 153 153 THR CB C 153 69.280 69.280 68.750 0.530 18942 5984 1 7 . 1 1 153 153 THR H H 153 8.134 8.134 8.765 -0.631 18942 5985 1 7 . 1 1 154 154 GLU N N 154 121.501 121.501 121.355 0.146 18942 5986 1 7 . 1 1 154 154 GLU C C 154 178.589 178.589 178.454 0.135 18942 5987 1 7 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.906 1.072 18942 5988 1 7 . 1 1 154 154 GLU CB C 154 29.348 29.348 29.043 0.305 18942 5989 1 7 . 1 1 154 154 GLU H H 154 8.342 8.342 8.182 0.160 18942 5990 1 7 . 1 1 155 155 LYS N N 155 117.473 117.473 118.632 -1.159 18942 5991 1 7 . 1 1 155 155 LYS C C 155 179.039 179.039 178.972 0.067 18942 5992 1 7 . 1 1 155 155 LYS CA C 155 58.776 58.776 57.966 0.810 18942 5993 1 7 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.840 0.003 18942 5994 1 7 . 1 1 155 155 LYS H H 155 7.752 7.752 7.797 -0.045 18942 5995 1 7 . 1 1 156 156 PHE N N 156 120.254 120.254 117.171 3.083 18942 5996 1 7 . 1 1 156 156 PHE C C 156 178.765 178.765 177.618 1.147 18942 5997 1 7 . 1 1 156 156 PHE CA C 156 57.339 57.339 59.989 -2.650 18942 5998 1 7 . 1 1 156 156 PHE CB C 156 37.037 37.037 39.055 -2.018 18942 5999 1 7 . 1 1 156 156 PHE H H 156 7.072 7.072 7.432 -0.360 18942 6000 1 7 . 1 1 157 157 VAL N N 157 118.268 118.268 120.539 -2.271 18942 6001 1 7 . 1 1 157 157 VAL C C 157 177.861 177.861 177.529 0.332 18942 6002 1 7 . 1 1 157 157 VAL CA C 157 67.455 67.455 66.668 0.787 18942 6003 1 7 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.771 0.092 18942 6004 1 7 . 1 1 157 157 VAL H H 157 8.007 8.007 7.879 0.128 18942 6005 1 7 . 1 1 158 158 GLU N N 158 117.100 117.100 119.909 -2.809 18942 6006 1 7 . 1 1 158 158 GLU C C 158 179.377 179.377 178.499 0.878 18942 6007 1 7 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.800 -0.309 18942 6008 1 7 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.469 0.877 18942 6009 1 7 . 1 1 158 158 GLU H H 158 7.875 7.875 8.630 -0.755 18942 6010 1 7 . 1 1 159 159 GLU N N 159 119.959 119.959 119.396 0.563 18942 6011 1 7 . 1 1 159 159 GLU C C 159 179.622 179.622 178.152 1.470 18942 6012 1 7 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.836 1.515 18942 6013 1 7 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.260 0.099 18942 6014 1 7 . 1 1 159 159 GLU H H 159 7.746 7.746 8.319 -0.573 18942 6015 1 7 . 1 1 160 160 ILE N N 160 119.530 119.530 118.726 0.804 18942 6016 1 7 . 1 1 160 160 ILE C C 160 180.262 180.262 177.923 2.339 18942 6017 1 7 . 1 1 160 160 ILE CA C 160 66.305 66.305 64.334 1.971 18942 6018 1 7 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.706 0.613 18942 6019 1 7 . 1 1 160 160 ILE H H 160 8.094 8.094 7.443 0.651 18942 6020 1 7 . 1 1 161 161 LYS N N 161 121.437 121.437 121.005 0.432 18942 6021 1 7 . 1 1 161 161 LYS C C 161 178.518 178.518 178.948 -0.430 18942 6022 1 7 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.364 1.292 18942 6023 1 7 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.113 1.488 18942 6024 1 7 . 1 1 161 161 LYS H H 161 8.500 8.500 8.460 0.040 18942 6025 1 7 . 1 1 162 162 SER N N 162 113.380 113.380 115.532 -2.152 18942 6026 1 7 . 1 1 162 162 SER C C 162 174.773 174.773 175.185 -0.412 18942 6027 1 7 . 1 1 162 162 SER CA C 162 61.208 61.208 60.905 0.303 18942 6028 1 7 . 1 1 162 162 SER CB C 162 62.725 62.725 62.998 -0.273 18942 6029 1 7 . 1 1 162 162 SER H H 162 7.653 7.653 7.752 -0.099 18942 6030 1 7 . 1 1 163 163 ILE N N 163 121.115 121.115 120.675 0.440 18942 6031 1 7 . 1 1 163 163 ILE C C 163 175.371 175.371 174.983 0.388 18942 6032 1 7 . 1 1 163 163 ILE CA C 163 62.854 62.854 61.026 1.828 18942 6033 1 7 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.186 1.451 18942 6034 1 7 . 1 1 163 163 ILE H H 163 7.068 7.068 7.575 -0.507 18942 6035 1 7 . 1 1 164 164 ALA N N 164 120.332 120.332 121.609 -1.277 18942 6036 1 7 . 1 1 164 164 ALA C C 164 178.713 178.713 177.047 1.666 18942 6037 1 7 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.688 0.865 18942 6038 1 7 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.128 0.692 18942 6039 1 7 . 1 1 164 164 ALA H H 164 6.801 6.801 7.274 -0.473 18942 6040 1 7 . 1 1 165 165 SER N N 165 120.959 120.959 119.661 1.298 18942 6041 1 7 . 1 1 165 165 SER C C 165 171.079 171.079 175.176 -4.097 18942 6042 1 7 . 1 1 165 165 SER CA C 165 61.464 61.464 60.245 1.219 18942 6043 1 7 . 1 1 165 165 SER CB C 165 61.858 61.858 63.691 -1.833 18942 6044 1 7 . 1 1 165 165 SER H H 165 8.656 8.656 8.781 -0.125 18942 6045 1 7 . 1 1 166 166 GLU N N 166 116.428 116.428 121.452 -5.024 18942 6046 1 7 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.327 -0.180 18942 6047 1 7 . 1 1 166 166 GLU CB C 166 30.057 30.057 30.004 0.053 18942 6048 1 7 . 1 1 166 166 GLU H H 166 7.949 7.949 8.236 -0.287 18942 6049 1 7 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.739 -1.955 18942 6050 1 7 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.068 2.401 18942 6051 1 7 . 1 1 168 168 THR C C 168 176.433 176.433 176.390 0.043 18942 6052 1 7 . 1 1 168 168 THR CA C 168 67.606 67.606 66.023 1.583 18942 6053 1 7 . 1 1 168 168 THR CB C 168 69.086 69.086 68.733 0.353 18942 6054 1 7 . 1 1 169 169 GLU N N 169 118.116 118.116 120.175 -2.059 18942 6055 1 7 . 1 1 169 169 GLU C C 169 177.434 177.434 177.291 0.143 18942 6056 1 7 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.431 0.518 18942 6057 1 7 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.391 -0.820 18942 6058 1 7 . 1 1 169 169 GLU H H 169 9.598 9.598 8.720 0.878 18942 6059 1 7 . 1 1 170 170 LYS N N 170 114.965 114.965 113.957 1.008 18942 6060 1 7 . 1 1 170 170 LYS C C 170 173.967 173.967 176.478 -2.511 18942 6061 1 7 . 1 1 170 170 LYS CA C 170 56.221 56.221 56.283 -0.062 18942 6062 1 7 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.674 1.140 18942 6063 1 7 . 1 1 170 170 LYS H H 170 7.300 7.300 7.454 -0.154 18942 6064 1 7 . 1 1 171 171 HIS N N 171 112.017 112.017 115.921 -3.904 18942 6065 1 7 . 1 1 171 171 HIS C C 171 171.860 171.860 173.436 -1.576 18942 6066 1 7 . 1 1 171 171 HIS CA C 171 57.840 57.840 56.349 1.490 18942 6067 1 7 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.397 0.298 18942 6068 1 7 . 1 1 171 171 HIS H H 171 7.198 7.198 7.560 -0.362 18942 6069 1 7 . 1 1 172 172 PHE N N 172 121.188 121.188 121.825 -0.637 18942 6070 1 7 . 1 1 172 172 PHE C C 172 172.383 172.383 173.360 -0.977 18942 6071 1 7 . 1 1 172 172 PHE CA C 172 55.210 55.210 57.078 -1.868 18942 6072 1 7 . 1 1 172 172 PHE CB C 172 41.412 41.412 40.583 0.829 18942 6073 1 7 . 1 1 172 172 PHE H H 172 7.342 7.342 8.243 -0.901 18942 6074 1 7 . 1 1 173 173 PHE N N 173 120.855 120.855 123.616 -2.761 18942 6075 1 7 . 1 1 173 173 PHE C C 173 173.751 173.751 173.732 0.019 18942 6076 1 7 . 1 1 173 173 PHE CA C 173 55.895 55.895 56.173 -0.278 18942 6077 1 7 . 1 1 173 173 PHE CB C 173 45.217 45.217 42.781 2.436 18942 6078 1 7 . 1 1 173 173 PHE H H 173 8.012 8.012 8.514 -0.502 18942 6079 1 7 . 1 1 174 174 ASN N N 174 118.624 118.624 118.547 0.077 18942 6080 1 7 . 1 1 174 174 ASN C C 174 176.826 176.826 176.700 0.126 18942 6081 1 7 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.466 0.832 18942 6082 1 7 . 1 1 174 174 ASN CB C 174 40.549 40.549 41.754 -1.204 18942 6083 1 7 . 1 1 174 174 ASN H H 174 8.760 8.760 8.624 0.136 18942 6084 1 7 . 1 1 175 175 VAL N N 175 122.779 122.779 122.584 0.195 18942 6085 1 7 . 1 1 175 175 VAL C C 175 174.743 174.743 176.055 -1.312 18942 6086 1 7 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.364 -0.822 18942 6087 1 7 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.301 0.780 18942 6088 1 7 . 1 1 175 175 VAL H H 175 8.349 8.349 8.134 0.215 18942 6089 1 7 . 1 1 176 176 SER N N 176 111.983 111.983 110.837 1.146 18942 6090 1 7 . 1 1 176 176 SER C C 176 174.583 174.583 173.705 0.878 18942 6091 1 7 . 1 1 176 176 SER CA C 176 57.972 57.972 58.998 -1.026 18942 6092 1 7 . 1 1 176 176 SER CB C 176 63.722 63.722 63.216 0.506 18942 6093 1 7 . 1 1 176 176 SER H H 176 7.933 7.933 7.950 -0.017 18942 6094 1 7 . 1 1 177 177 ASP N N 177 122.321 122.321 121.684 0.637 18942 6095 1 7 . 1 1 177 177 ASP C C 177 178.008 178.008 175.721 2.287 18942 6096 1 7 . 1 1 177 177 ASP CA C 177 54.315 54.315 52.945 1.370 18942 6097 1 7 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.476 -0.789 18942 6098 1 7 . 1 1 177 177 ASP H H 177 7.696 7.696 7.447 0.249 18942 6099 1 7 . 1 1 178 178 GLU N N 178 128.610 128.610 126.158 2.452 18942 6100 1 7 . 1 1 178 178 GLU C C 178 177.787 177.787 177.735 0.052 18942 6101 1 7 . 1 1 178 178 GLU CA C 178 59.124 59.124 58.234 0.890 18942 6102 1 7 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.509 0.215 18942 6103 1 7 . 1 1 178 178 GLU H H 178 9.211 9.211 8.878 0.333 18942 6104 1 7 . 1 1 179 179 LEU N N 179 117.532 117.532 119.918 -2.386 18942 6105 1 7 . 1 1 179 179 LEU C C 179 178.646 178.646 178.588 0.058 18942 6106 1 7 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.200 -1.125 18942 6107 1 7 . 1 1 179 179 LEU CB C 179 41.784 41.784 40.816 0.968 18942 6108 1 7 . 1 1 179 179 LEU H H 179 8.683 8.683 8.607 0.076 18942 6109 1 7 . 1 1 180 180 ALA N N 180 123.387 123.387 122.643 0.744 18942 6110 1 7 . 1 1 180 180 ALA C C 180 178.175 178.175 179.105 -0.930 18942 6111 1 7 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.906 1.051 18942 6112 1 7 . 1 1 180 180 ALA CB C 180 19.321 19.321 18.091 1.230 18942 6113 1 7 . 1 1 180 180 ALA H H 180 7.627 7.627 7.905 -0.278 18942 6114 1 7 . 1 1 181 181 LEU N N 181 114.375 114.375 118.385 -4.010 18942 6115 1 7 . 1 1 181 181 LEU C C 181 178.681 178.681 178.692 -0.011 18942 6116 1 7 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.188 0.944 18942 6117 1 7 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.479 -0.341 18942 6118 1 7 . 1 1 181 181 LEU H H 181 7.638 7.638 7.391 0.247 18942 6119 1 7 . 1 1 182 182 VAL N N 182 113.683 113.683 119.116 -5.433 18942 6120 1 7 . 1 1 182 182 VAL C C 182 178.401 178.401 177.847 0.554 18942 6121 1 7 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.834 -1.659 18942 6122 1 7 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.281 0.694 18942 6123 1 7 . 1 1 182 182 VAL H H 182 7.448 7.448 7.259 0.189 18942 6124 1 7 . 1 1 183 183 THR N N 183 116.081 116.081 117.370 -1.289 18942 6125 1 7 . 1 1 183 183 THR C C 183 176.701 176.701 176.673 0.028 18942 6126 1 7 . 1 1 183 183 THR CA C 183 66.999 66.999 67.073 -0.074 18942 6127 1 7 . 1 1 183 183 THR CB C 183 67.885 67.885 68.601 -0.716 18942 6128 1 7 . 1 1 183 183 THR H H 183 7.527 7.527 7.790 -0.263 18942 6129 1 7 . 1 1 184 184 ILE N N 184 124.157 124.157 122.272 1.885 18942 6130 1 7 . 1 1 184 184 ILE C C 184 177.072 177.072 177.616 -0.544 18942 6131 1 7 . 1 1 184 184 ILE CA C 184 66.514 66.514 65.582 0.932 18942 6132 1 7 . 1 1 184 184 ILE CB C 184 38.229 38.229 36.945 1.284 18942 6133 1 7 . 1 1 184 184 ILE H H 184 8.406 8.406 7.351 1.055 18942 6134 1 7 . 1 1 185 185 VAL N N 185 115.165 115.165 120.161 -4.996 18942 6135 1 7 . 1 1 185 185 VAL C C 185 178.544 178.544 178.101 0.443 18942 6136 1 7 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.793 0.209 18942 6137 1 7 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.423 -0.417 18942 6138 1 7 . 1 1 185 185 VAL H H 185 7.429 7.429 8.057 -0.628 18942 6139 1 7 . 1 1 186 186 LYS N N 186 119.326 119.326 116.986 2.340 18942 6140 1 7 . 1 1 186 186 LYS C C 186 179.109 179.109 178.198 0.911 18942 6141 1 7 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.112 0.384 18942 6142 1 7 . 1 1 186 186 LYS CB C 186 32.866 32.866 31.887 0.979 18942 6143 1 7 . 1 1 186 186 LYS H H 186 7.659 7.659 8.187 -0.527 18942 6144 1 7 . 1 1 187 187 THR N N 187 116.582 116.582 115.567 1.015 18942 6145 1 7 . 1 1 187 187 THR C C 187 177.056 177.056 176.315 0.741 18942 6146 1 7 . 1 1 187 187 THR CA C 187 66.358 66.358 65.544 0.814 18942 6147 1 7 . 1 1 187 187 THR CB C 187 69.105 69.105 69.408 -0.303 18942 6148 1 7 . 1 1 187 187 THR H H 187 8.377 8.377 7.311 1.066 18942 6149 1 7 . 1 1 188 188 LEU N N 188 121.469 121.469 121.279 0.190 18942 6150 1 7 . 1 1 188 188 LEU C C 188 178.177 178.177 178.348 -0.171 18942 6151 1 7 . 1 1 188 188 LEU CA C 188 57.524 57.524 56.770 0.754 18942 6152 1 7 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.530 0.786 18942 6153 1 7 . 1 1 188 188 LEU H H 188 8.262 8.262 8.517 -0.255 18942 6154 1 7 . 1 1 189 189 GLY N N 189 104.655 104.655 104.912 -0.257 18942 6155 1 7 . 1 1 189 189 GLY C C 189 174.400 174.400 174.924 -0.524 18942 6156 1 7 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.339 0.628 18942 6157 1 7 . 1 1 189 189 GLY H H 189 7.898 7.898 7.670 0.228 18942 6158 1 7 . 1 1 190 190 GLU N N 190 119.430 119.430 119.596 -0.166 18942 6159 1 7 . 1 1 190 190 GLU C C 190 176.344 176.344 177.268 -0.924 18942 6160 1 7 . 1 1 190 190 GLU CA C 190 56.871 56.871 54.792 2.079 18942 6161 1 7 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.993 -0.340 18942 6162 1 7 . 1 1 190 190 GLU H H 190 7.630 7.630 7.531 0.099 18942 6163 1 7 . 1 1 191 191 ARG N N 191 121.191 121.191 118.148 3.043 18942 6164 1 7 . 1 1 191 191 ARG C C 191 175.205 175.205 175.507 -0.302 18942 6165 1 7 . 1 1 191 191 ARG CA C 191 56.061 56.061 56.883 -0.822 18942 6166 1 7 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.555 0.301 18942 6167 1 7 . 1 1 191 191 ARG H H 191 8.126 8.126 8.755 -0.629 18942 6168 1 8 . 1 1 2 2 THR N N 2 115.468 115.468 121.595 -6.127 18942 6169 1 8 . 1 1 2 2 THR C C 2 174.211 174.211 174.071 0.140 18942 6170 1 8 . 1 1 2 2 THR CA C 2 61.939 61.939 62.131 -0.192 18942 6171 1 8 . 1 1 2 2 THR CB C 2 70.018 70.018 68.315 1.703 18942 6172 1 8 . 1 1 2 2 THR H H 2 8.002 8.002 8.735 -0.733 18942 6173 1 8 . 1 1 3 3 GLN N N 3 122.804 122.804 126.072 -3.268 18942 6174 1 8 . 1 1 3 3 GLN C C 3 174.443 174.443 174.631 -0.188 18942 6175 1 8 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.489 1.071 18942 6176 1 8 . 1 1 3 3 GLN CB C 3 30.049 30.049 29.193 0.856 18942 6177 1 8 . 1 1 3 3 GLN H H 3 8.225 8.225 7.989 0.236 18942 6178 1 8 . 1 1 4 4 LEU N N 4 120.941 120.941 121.439 -0.498 18942 6179 1 8 . 1 1 4 4 LEU C C 4 174.867 174.867 174.670 0.197 18942 6180 1 8 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.391 0.109 18942 6181 1 8 . 1 1 4 4 LEU CB C 4 47.427 47.427 44.894 2.533 18942 6182 1 8 . 1 1 4 4 LEU H H 4 6.832 6.832 8.001 -1.169 18942 6183 1 8 . 1 1 5 5 ASP N N 5 125.936 125.936 122.620 3.316 18942 6184 1 8 . 1 1 5 5 ASP C C 5 173.417 173.417 175.426 -2.009 18942 6185 1 8 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.369 0.238 18942 6186 1 8 . 1 1 5 5 ASP CB C 5 42.393 42.393 41.983 0.410 18942 6187 1 8 . 1 1 5 5 ASP H H 5 8.760 8.760 8.341 0.419 18942 6188 1 8 . 1 1 6 6 ILE N N 6 122.489 122.489 124.149 -1.660 18942 6189 1 8 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.657 0.461 18942 6190 1 8 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.740 -1.946 18942 6191 1 8 . 1 1 6 6 ILE H H 6 8.897 8.897 9.223 -0.326 18942 6192 1 8 . 1 1 7 7 VAL N N 7 124.979 124.979 125.443 -0.464 18942 6193 1 8 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.453 0.613 18942 6194 1 8 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.439 -1.277 18942 6195 1 8 . 1 1 7 7 VAL H H 7 9.009 9.009 8.374 0.635 18942 6196 1 8 . 1 1 8 8 ILE N N 8 127.861 127.861 128.229 -0.368 18942 6197 1 8 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.297 1.544 18942 6198 1 8 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.139 -0.123 18942 6199 1 8 . 1 1 8 8 ILE H H 8 8.758 8.758 9.228 -0.470 18942 6200 1 8 . 1 1 9 9 VAL N N 9 129.205 129.205 127.888 1.317 18942 6201 1 8 . 1 1 9 9 VAL C C 9 173.949 173.949 174.950 -1.001 18942 6202 1 8 . 1 1 9 9 VAL CA C 9 61.475 61.475 61.013 0.462 18942 6203 1 8 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.445 -0.049 18942 6204 1 8 . 1 1 9 9 VAL H H 9 9.713 9.713 9.223 0.490 18942 6205 1 8 . 1 1 10 10 LEU N N 10 123.753 123.753 127.090 -3.337 18942 6206 1 8 . 1 1 10 10 LEU C C 10 174.175 174.175 174.561 -0.386 18942 6207 1 8 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.960 0.766 18942 6208 1 8 . 1 1 10 10 LEU CB C 10 44.609 44.609 44.694 -0.085 18942 6209 1 8 . 1 1 10 10 LEU H H 10 9.261 9.261 9.354 -0.093 18942 6210 1 8 . 1 1 11 11 ASP N N 11 125.333 125.333 119.596 5.737 18942 6211 1 8 . 1 1 11 11 ASP C C 11 174.405 174.405 176.315 -1.910 18942 6212 1 8 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.036 1.517 18942 6213 1 8 . 1 1 11 11 ASP CB C 11 41.590 41.590 43.677 -2.087 18942 6214 1 8 . 1 1 11 11 ASP H H 11 7.867 7.867 8.375 -0.508 18942 6215 1 8 . 1 1 12 12 GLY N N 12 113.584 113.584 111.210 2.374 18942 6216 1 8 . 1 1 12 12 GLY C C 12 176.010 176.010 174.429 1.581 18942 6217 1 8 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.312 0.402 18942 6218 1 8 . 1 1 12 12 GLY H H 12 8.825 8.825 8.276 0.549 18942 6219 1 8 . 1 1 13 13 SER N N 13 114.408 114.408 116.558 -2.150 18942 6220 1 8 . 1 1 13 13 SER C C 13 173.728 173.728 175.075 -1.347 18942 6221 1 8 . 1 1 13 13 SER CA C 13 58.607 58.607 59.838 -1.231 18942 6222 1 8 . 1 1 13 13 SER CB C 13 64.366 64.366 64.451 -0.085 18942 6223 1 8 . 1 1 13 13 SER H H 13 8.668 8.668 8.241 0.427 18942 6224 1 8 . 1 1 14 14 ASN N N 14 117.122 117.122 119.083 -1.961 18942 6225 1 8 . 1 1 14 14 ASN C C 14 175.323 175.323 175.918 -0.595 18942 6226 1 8 . 1 1 14 14 ASN CA C 14 55.132 55.132 54.922 0.210 18942 6227 1 8 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.758 -1.023 18942 6228 1 8 . 1 1 14 14 ASN H H 14 8.800 8.800 8.349 0.451 18942 6229 1 8 . 1 1 15 15 SER N N 15 109.840 109.840 112.197 -2.357 18942 6230 1 8 . 1 1 15 15 SER C C 15 175.252 175.252 174.790 0.462 18942 6231 1 8 . 1 1 15 15 SER CA C 15 60.352 60.352 58.545 1.807 18942 6232 1 8 . 1 1 15 15 SER CB C 15 62.281 62.281 63.422 -1.141 18942 6233 1 8 . 1 1 15 15 SER H H 15 8.949 8.949 8.061 0.888 18942 6234 1 8 . 1 1 16 16 ILE N N 16 125.955 125.955 122.983 2.972 18942 6235 1 8 . 1 1 16 16 ILE C C 16 175.772 175.772 175.868 -0.096 18942 6236 1 8 . 1 1 16 16 ILE CA C 16 59.419 59.419 59.776 -0.358 18942 6237 1 8 . 1 1 16 16 ILE CB C 16 34.858 34.858 38.463 -3.605 18942 6238 1 8 . 1 1 16 16 ILE H H 16 7.463 7.463 7.148 0.315 18942 6239 1 8 . 1 1 17 17 TYR N N 17 125.148 125.148 126.067 -0.919 18942 6240 1 8 . 1 1 17 17 TYR CA C 17 55.534 55.534 56.858 -1.324 18942 6241 1 8 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.491 5.142 18942 6242 1 8 . 1 1 17 17 TYR H H 17 8.097 8.097 8.392 -0.295 18942 6243 1 8 . 1 1 18 18 PRO C C 18 177.356 177.356 177.517 -0.161 18942 6244 1 8 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.348 -0.643 18942 6245 1 8 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.128 0.842 18942 6246 1 8 . 1 1 19 19 TRP N N 19 125.777 125.777 126.480 -0.703 18942 6247 1 8 . 1 1 19 19 TRP C C 19 177.067 177.067 177.321 -0.254 18942 6248 1 8 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.303 0.343 18942 6249 1 8 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.797 -0.107 18942 6250 1 8 . 1 1 19 19 TRP H H 19 9.064 9.064 8.992 0.072 18942 6251 1 8 . 1 1 20 20 ASP N N 20 112.639 112.639 120.601 -7.962 18942 6252 1 8 . 1 1 20 20 ASP C C 20 178.681 178.681 178.491 0.190 18942 6253 1 8 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.808 -1.594 18942 6254 1 8 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.766 -0.382 18942 6255 1 8 . 1 1 20 20 ASP H H 20 8.476 8.476 8.712 -0.236 18942 6256 1 8 . 1 1 21 21 SER N N 21 113.464 113.464 115.715 -2.251 18942 6257 1 8 . 1 1 21 21 SER C C 21 176.264 176.264 176.446 -0.182 18942 6258 1 8 . 1 1 21 21 SER CA C 21 61.853 61.853 61.946 -0.093 18942 6259 1 8 . 1 1 21 21 SER CB C 21 63.207 63.207 63.229 -0.022 18942 6260 1 8 . 1 1 21 21 SER H H 21 7.436 7.436 7.874 -0.438 18942 6261 1 8 . 1 1 22 22 VAL N N 22 123.136 123.136 121.669 1.467 18942 6262 1 8 . 1 1 22 22 VAL C C 22 177.581 177.581 176.943 0.638 18942 6263 1 8 . 1 1 22 22 VAL CA C 22 66.778 66.778 65.154 1.624 18942 6264 1 8 . 1 1 22 22 VAL CB C 22 30.884 30.884 31.201 -0.317 18942 6265 1 8 . 1 1 22 22 VAL H H 22 7.130 7.130 7.933 -0.803 18942 6266 1 8 . 1 1 23 23 THR N N 23 110.025 110.025 114.163 -4.138 18942 6267 1 8 . 1 1 23 23 THR C C 23 177.587 177.587 176.439 1.148 18942 6268 1 8 . 1 1 23 23 THR CA C 23 66.080 66.080 66.146 -0.066 18942 6269 1 8 . 1 1 23 23 THR CB C 23 68.089 68.089 68.407 -0.318 18942 6270 1 8 . 1 1 23 23 THR H H 23 7.637 7.637 7.888 -0.251 18942 6271 1 8 . 1 1 24 24 ALA N N 24 123.457 123.457 124.081 -0.624 18942 6272 1 8 . 1 1 24 24 ALA C C 24 178.927 178.927 178.875 0.052 18942 6273 1 8 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.840 0.624 18942 6274 1 8 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.301 0.190 18942 6275 1 8 . 1 1 24 24 ALA H H 24 7.768 7.768 7.679 0.089 18942 6276 1 8 . 1 1 25 25 PHE N N 25 118.072 118.072 120.488 -2.416 18942 6277 1 8 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.508 -0.191 18942 6278 1 8 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.225 -0.287 18942 6279 1 8 . 1 1 25 25 PHE H H 25 7.064 7.064 8.026 -0.962 18942 6280 1 8 . 1 1 26 26 LEU N N 26 115.251 115.251 119.058 -3.807 18942 6281 1 8 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.505 0.198 18942 6282 1 8 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.481 1.824 18942 6283 1 8 . 1 1 26 26 LEU H H 26 8.016 8.016 8.638 -0.622 18942 6284 1 8 . 1 1 27 27 ASN N N 27 114.759 114.759 119.551 -4.792 18942 6285 1 8 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.917 0.606 18942 6286 1 8 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.312 2.397 18942 6287 1 8 . 1 1 27 27 ASN H H 27 7.842 7.842 8.500 -0.658 18942 6288 1 8 . 1 1 28 28 ASP N N 28 116.899 116.899 119.925 -3.026 18942 6289 1 8 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.090 -0.481 18942 6290 1 8 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.855 -0.417 18942 6291 1 8 . 1 1 28 28 ASP H H 28 7.802 7.802 8.250 -0.448 18942 6292 1 8 . 1 1 29 29 LEU N N 29 118.230 118.230 121.756 -3.526 18942 6293 1 8 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.811 0.013 18942 6294 1 8 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.691 0.322 18942 6295 1 8 . 1 1 29 29 LEU H H 29 7.970 7.970 7.734 0.236 18942 6296 1 8 . 1 1 30 30 LEU N N 30 114.781 114.781 118.494 -3.713 18942 6297 1 8 . 1 1 30 30 LEU C C 30 178.917 178.917 178.892 0.025 18942 6298 1 8 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.305 0.388 18942 6299 1 8 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.861 0.683 18942 6300 1 8 . 1 1 30 30 LEU H H 30 8.000 8.000 8.387 -0.387 18942 6301 1 8 . 1 1 31 31 GLU N N 31 113.705 113.705 117.191 -3.486 18942 6302 1 8 . 1 1 31 31 GLU C C 31 177.554 177.554 178.022 -0.468 18942 6303 1 8 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.442 0.003 18942 6304 1 8 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.657 -0.233 18942 6305 1 8 . 1 1 31 31 GLU H H 31 7.880 7.880 8.103 -0.223 18942 6306 1 8 . 1 1 32 32 ARG N N 32 114.470 114.470 116.196 -1.726 18942 6307 1 8 . 1 1 32 32 ARG C C 32 175.851 175.851 176.660 -0.809 18942 6308 1 8 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.694 -1.145 18942 6309 1 8 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.821 -0.235 18942 6310 1 8 . 1 1 32 32 ARG H H 32 7.014 7.014 7.405 -0.391 18942 6311 1 8 . 1 1 33 33 MET N N 33 116.853 116.853 119.134 -2.281 18942 6312 1 8 . 1 1 33 33 MET C C 33 174.809 174.809 175.644 -0.835 18942 6313 1 8 . 1 1 33 33 MET CA C 33 54.694 54.694 53.914 0.780 18942 6314 1 8 . 1 1 33 33 MET CB C 33 35.436 35.436 32.158 3.278 18942 6315 1 8 . 1 1 33 33 MET H H 33 7.528 7.528 7.418 0.110 18942 6316 1 8 . 1 1 34 34 ASP N N 34 123.345 123.345 126.623 -3.278 18942 6317 1 8 . 1 1 34 34 ASP C C 34 173.878 173.878 175.227 -1.349 18942 6318 1 8 . 1 1 34 34 ASP CA C 34 53.172 53.172 53.934 -0.762 18942 6319 1 8 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.681 0.210 18942 6320 1 8 . 1 1 34 34 ASP H H 34 8.784 8.784 8.738 0.046 18942 6321 1 8 . 1 1 35 35 ILE N N 35 123.293 123.293 126.082 -2.789 18942 6322 1 8 . 1 1 35 35 ILE C C 35 176.589 176.589 176.207 0.382 18942 6323 1 8 . 1 1 35 35 ILE CA C 35 58.830 58.830 59.172 -0.342 18942 6324 1 8 . 1 1 35 35 ILE CB C 35 38.073 38.073 35.566 2.507 18942 6325 1 8 . 1 1 35 35 ILE H H 35 7.188 7.188 7.706 -0.518 18942 6326 1 8 . 1 1 36 36 GLY N N 36 112.822 112.822 113.985 -1.163 18942 6327 1 8 . 1 1 36 36 GLY CA C 36 45.744 45.744 44.872 0.872 18942 6328 1 8 . 1 1 36 36 GLY H H 36 8.748 8.748 7.821 0.927 18942 6329 1 8 . 1 1 37 37 PRO C C 37 178.427 178.427 176.930 1.497 18942 6330 1 8 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.552 0.298 18942 6331 1 8 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.507 -0.305 18942 6332 1 8 . 1 1 38 38 LYS N N 38 116.281 116.281 116.238 0.043 18942 6333 1 8 . 1 1 38 38 LYS C C 38 176.306 176.306 174.951 1.355 18942 6334 1 8 . 1 1 38 38 LYS CA C 38 54.664 54.664 56.511 -1.847 18942 6335 1 8 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.323 0.322 18942 6336 1 8 . 1 1 38 38 LYS H H 38 8.262 8.262 7.980 0.282 18942 6337 1 8 . 1 1 39 39 GLN N N 39 121.587 121.587 118.301 3.286 18942 6338 1 8 . 1 1 39 39 GLN C C 39 176.105 176.105 174.946 1.159 18942 6339 1 8 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.293 1.155 18942 6340 1 8 . 1 1 39 39 GLN CB C 39 29.540 29.540 31.982 -2.442 18942 6341 1 8 . 1 1 39 39 GLN H H 39 7.680 7.680 7.785 -0.105 18942 6342 1 8 . 1 1 40 40 THR N N 40 124.944 124.944 114.417 10.527 18942 6343 1 8 . 1 1 40 40 THR C C 40 172.592 172.592 173.571 -0.979 18942 6344 1 8 . 1 1 40 40 THR CA C 40 63.650 63.650 63.148 0.502 18942 6345 1 8 . 1 1 40 40 THR CB C 40 69.597 69.597 66.862 2.735 18942 6346 1 8 . 1 1 40 40 THR H H 40 8.525 8.525 8.647 -0.122 18942 6347 1 8 . 1 1 41 41 GLN N N 41 122.782 122.782 122.631 0.151 18942 6348 1 8 . 1 1 41 41 GLN C C 41 174.312 174.312 174.492 -0.180 18942 6349 1 8 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.562 -0.413 18942 6350 1 8 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.913 4.013 18942 6351 1 8 . 1 1 41 41 GLN H H 41 8.821 8.821 7.942 0.879 18942 6352 1 8 . 1 1 42 42 VAL N N 42 118.560 118.560 121.313 -2.753 18942 6353 1 8 . 1 1 42 42 VAL C C 42 173.505 173.505 175.446 -1.941 18942 6354 1 8 . 1 1 42 42 VAL CA C 42 60.005 60.005 59.453 0.552 18942 6355 1 8 . 1 1 42 42 VAL CB C 42 36.835 36.835 33.812 3.023 18942 6356 1 8 . 1 1 42 42 VAL H H 42 8.135 8.135 8.278 -0.143 18942 6357 1 8 . 1 1 43 43 GLY N N 43 110.800 110.800 113.337 -2.537 18942 6358 1 8 . 1 1 43 43 GLY C C 43 172.196 172.196 172.683 -0.487 18942 6359 1 8 . 1 1 43 43 GLY CA C 43 43.290 43.290 42.984 0.306 18942 6360 1 8 . 1 1 43 43 GLY H H 43 8.606 8.606 8.409 0.197 18942 6361 1 8 . 1 1 44 44 ILE N N 44 115.225 115.225 123.835 -8.610 18942 6362 1 8 . 1 1 44 44 ILE C C 44 174.136 174.136 175.407 -1.271 18942 6363 1 8 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.975 -0.129 18942 6364 1 8 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.337 1.915 18942 6365 1 8 . 1 1 44 44 ILE H H 44 7.361 7.361 8.550 -1.189 18942 6366 1 8 . 1 1 45 45 VAL N N 45 126.880 126.880 126.318 0.562 18942 6367 1 8 . 1 1 45 45 VAL C C 45 173.113 173.113 174.222 -1.109 18942 6368 1 8 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.524 -0.692 18942 6369 1 8 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.376 0.359 18942 6370 1 8 . 1 1 45 45 VAL H H 45 9.245 9.245 9.298 -0.053 18942 6371 1 8 . 1 1 46 46 GLN N N 46 124.650 124.650 126.506 -1.856 18942 6372 1 8 . 1 1 46 46 GLN C C 46 173.879 173.879 174.385 -0.506 18942 6373 1 8 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.490 0.269 18942 6374 1 8 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.864 -0.378 18942 6375 1 8 . 1 1 46 46 GLN H H 46 9.333 9.333 9.244 0.089 18942 6376 1 8 . 1 1 47 47 TYR N N 47 123.588 123.588 123.494 0.094 18942 6377 1 8 . 1 1 47 47 TYR C C 47 172.762 172.762 174.098 -1.336 18942 6378 1 8 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.239 0.180 18942 6379 1 8 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.001 2.503 18942 6380 1 8 . 1 1 47 47 TYR H H 47 9.300 9.300 9.172 0.128 18942 6381 1 8 . 1 1 48 48 GLY N N 48 107.867 107.867 109.434 -1.567 18942 6382 1 8 . 1 1 48 48 GLY C C 48 172.936 172.936 173.895 -0.959 18942 6383 1 8 . 1 1 48 48 GLY CA C 48 48.040 48.040 46.329 1.711 18942 6384 1 8 . 1 1 48 48 GLY H H 48 7.894 7.894 8.057 -0.163 18942 6385 1 8 . 1 1 49 49 GLU N N 49 127.160 127.160 120.732 6.428 18942 6386 1 8 . 1 1 49 49 GLU C C 49 174.960 174.960 176.493 -1.533 18942 6387 1 8 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.633 -0.379 18942 6388 1 8 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.932 1.011 18942 6389 1 8 . 1 1 49 49 GLU H H 49 9.355 9.355 8.609 0.746 18942 6390 1 8 . 1 1 50 50 ASN N N 50 112.730 112.730 114.110 -1.380 18942 6391 1 8 . 1 1 50 50 ASN C C 50 174.229 174.229 173.203 1.026 18942 6392 1 8 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.471 -1.665 18942 6393 1 8 . 1 1 50 50 ASN CB C 50 41.127 41.127 42.062 -0.936 18942 6394 1 8 . 1 1 50 50 ASN H H 50 7.494 7.494 7.713 -0.219 18942 6395 1 8 . 1 1 51 51 VAL N N 51 118.965 118.965 120.110 -1.145 18942 6396 1 8 . 1 1 51 51 VAL C C 51 174.904 174.904 175.304 -0.400 18942 6397 1 8 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.764 0.966 18942 6398 1 8 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.108 0.926 18942 6399 1 8 . 1 1 51 51 VAL H H 51 8.647 8.647 8.456 0.191 18942 6400 1 8 . 1 1 52 52 THR N N 52 122.865 122.865 123.723 -0.858 18942 6401 1 8 . 1 1 52 52 THR C C 52 173.383 173.383 173.126 0.257 18942 6402 1 8 . 1 1 52 52 THR CA C 52 61.809 61.809 61.008 0.801 18942 6403 1 8 . 1 1 52 52 THR CB C 52 71.943 71.943 70.579 1.363 18942 6404 1 8 . 1 1 52 52 THR H H 52 9.183 9.183 9.201 -0.018 18942 6405 1 8 . 1 1 53 53 HIS N N 53 126.441 126.441 123.067 3.374 18942 6406 1 8 . 1 1 53 53 HIS C C 53 175.728 175.728 174.985 0.743 18942 6407 1 8 . 1 1 53 53 HIS CA C 53 57.162 57.162 53.820 3.342 18942 6408 1 8 . 1 1 53 53 HIS CB C 53 31.084 31.084 30.068 1.016 18942 6409 1 8 . 1 1 53 53 HIS H H 53 8.995 8.995 8.340 0.655 18942 6410 1 8 . 1 1 54 54 GLU N N 54 126.720 126.720 123.191 3.529 18942 6411 1 8 . 1 1 54 54 GLU C C 54 178.106 178.106 176.594 1.512 18942 6412 1 8 . 1 1 54 54 GLU CA C 54 57.886 57.886 58.059 -0.173 18942 6413 1 8 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.310 -1.740 18942 6414 1 8 . 1 1 54 54 GLU H H 54 8.901 8.901 8.820 0.081 18942 6415 1 8 . 1 1 55 55 PHE N N 55 106.460 106.460 118.649 -12.189 18942 6416 1 8 . 1 1 55 55 PHE C C 55 174.320 174.320 174.489 -0.169 18942 6417 1 8 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.450 -0.406 18942 6418 1 8 . 1 1 55 55 PHE CB C 55 40.763 40.763 40.462 0.301 18942 6419 1 8 . 1 1 55 55 PHE H H 55 7.351 7.351 8.042 -0.691 18942 6420 1 8 . 1 1 56 56 ASN N N 56 119.296 119.296 122.849 -3.553 18942 6421 1 8 . 1 1 56 56 ASN CA C 56 52.079 52.079 53.101 -1.022 18942 6422 1 8 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.171 0.534 18942 6423 1 8 . 1 1 56 56 ASN H H 56 8.378 8.378 8.684 -0.306 18942 6424 1 8 . 1 1 57 57 LEU C C 57 175.843 175.843 177.748 -1.905 18942 6425 1 8 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.173 1.325 18942 6426 1 8 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.208 1.786 18942 6427 1 8 . 1 1 58 58 ASN N N 58 108.256 108.256 115.201 -6.945 18942 6428 1 8 . 1 1 58 58 ASN C C 58 177.051 177.051 175.750 1.301 18942 6429 1 8 . 1 1 58 58 ASN CA C 58 50.879 50.879 53.522 -2.643 18942 6430 1 8 . 1 1 58 58 ASN CB C 58 38.911 38.911 38.705 0.206 18942 6431 1 8 . 1 1 58 58 ASN H H 58 7.345 7.345 8.125 -0.780 18942 6432 1 8 . 1 1 59 59 LYS N N 59 121.550 121.550 119.406 2.144 18942 6433 1 8 . 1 1 59 59 LYS C C 59 176.380 176.380 176.507 -0.127 18942 6434 1 8 . 1 1 59 59 LYS CA C 59 59.241 59.241 54.794 4.447 18942 6435 1 8 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.297 0.566 18942 6436 1 8 . 1 1 59 59 LYS H H 59 7.793 7.793 7.719 0.074 18942 6437 1 8 . 1 1 60 60 TYR N N 60 115.388 115.388 117.380 -1.992 18942 6438 1 8 . 1 1 60 60 TYR C C 60 176.551 176.551 175.407 1.144 18942 6439 1 8 . 1 1 60 60 TYR CA C 60 56.785 56.785 57.488 -0.703 18942 6440 1 8 . 1 1 60 60 TYR CB C 60 40.587 40.587 38.523 2.064 18942 6441 1 8 . 1 1 60 60 TYR H H 60 8.838 8.838 7.860 0.978 18942 6442 1 8 . 1 1 61 61 SER N N 61 113.454 113.454 114.978 -1.524 18942 6443 1 8 . 1 1 61 61 SER C C 61 172.093 172.093 173.009 -0.916 18942 6444 1 8 . 1 1 61 61 SER CA C 61 57.686 57.686 58.419 -0.733 18942 6445 1 8 . 1 1 61 61 SER CB C 61 64.641 64.641 65.246 -0.605 18942 6446 1 8 . 1 1 61 61 SER H H 61 8.869 8.869 8.512 0.357 18942 6447 1 8 . 1 1 62 62 SER N N 62 110.923 110.923 113.382 -2.459 18942 6448 1 8 . 1 1 62 62 SER C C 62 174.355 174.355 174.726 -0.371 18942 6449 1 8 . 1 1 62 62 SER CA C 62 56.928 56.928 56.745 0.183 18942 6450 1 8 . 1 1 62 62 SER CB C 62 67.154 67.154 66.533 0.621 18942 6451 1 8 . 1 1 62 62 SER H H 62 7.236 7.236 7.529 -0.293 18942 6452 1 8 . 1 1 63 63 THR N N 63 120.405 120.405 117.132 3.273 18942 6453 1 8 . 1 1 63 63 THR C C 63 175.543 175.543 176.481 -0.938 18942 6454 1 8 . 1 1 63 63 THR CA C 63 69.245 69.245 67.464 1.781 18942 6455 1 8 . 1 1 63 63 THR CB C 63 67.203 67.203 68.701 -1.498 18942 6456 1 8 . 1 1 63 63 THR H H 63 9.263 9.263 8.523 0.740 18942 6457 1 8 . 1 1 64 64 GLU N N 64 119.002 119.002 121.193 -2.191 18942 6458 1 8 . 1 1 64 64 GLU C C 64 178.754 178.754 178.466 0.288 18942 6459 1 8 . 1 1 64 64 GLU CA C 64 60.437 60.437 60.006 0.431 18942 6460 1 8 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.047 0.419 18942 6461 1 8 . 1 1 64 64 GLU H H 64 8.873 8.873 8.686 0.187 18942 6462 1 8 . 1 1 65 65 GLU N N 65 114.467 114.467 118.818 -4.351 18942 6463 1 8 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.033 0.018 18942 6464 1 8 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.498 1.840 18942 6465 1 8 . 1 1 65 65 GLU H H 65 7.299 7.299 7.787 -0.488 18942 6466 1 8 . 1 1 66 66 VAL N N 66 118.486 118.486 119.900 -1.414 18942 6467 1 8 . 1 1 66 66 VAL C C 66 176.723 176.723 178.066 -1.343 18942 6468 1 8 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.222 -0.205 18942 6469 1 8 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.768 -0.233 18942 6470 1 8 . 1 1 66 66 VAL H H 66 7.361 7.361 7.703 -0.342 18942 6471 1 8 . 1 1 67 67 LEU N N 67 119.314 119.314 121.844 -2.530 18942 6472 1 8 . 1 1 67 67 LEU C C 67 180.087 180.087 178.610 1.477 18942 6473 1 8 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.383 -0.383 18942 6474 1 8 . 1 1 67 67 LEU CB C 67 41.941 41.941 42.088 -0.147 18942 6475 1 8 . 1 1 67 67 LEU H H 67 8.154 8.154 8.352 -0.198 18942 6476 1 8 . 1 1 68 68 VAL N N 68 117.110 117.110 118.390 -1.280 18942 6477 1 8 . 1 1 68 68 VAL C C 68 179.736 179.736 177.230 2.506 18942 6478 1 8 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.856 0.338 18942 6479 1 8 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.766 0.430 18942 6480 1 8 . 1 1 68 68 VAL H H 68 7.110 7.110 8.402 -1.292 18942 6481 1 8 . 1 1 69 69 ALA N N 69 119.661 119.661 121.722 -2.061 18942 6482 1 8 . 1 1 69 69 ALA C C 69 181.653 181.653 178.878 2.775 18942 6483 1 8 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.703 0.377 18942 6484 1 8 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.260 2.820 18942 6485 1 8 . 1 1 69 69 ALA H H 69 6.970 6.970 7.601 -0.631 18942 6486 1 8 . 1 1 70 70 ALA N N 70 120.071 120.071 120.425 -0.354 18942 6487 1 8 . 1 1 70 70 ALA C C 70 178.758 178.758 179.065 -0.307 18942 6488 1 8 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.188 -0.085 18942 6489 1 8 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.541 -0.444 18942 6490 1 8 . 1 1 70 70 ALA H H 70 8.881 8.881 8.102 0.779 18942 6491 1 8 . 1 1 71 71 LYS N N 71 112.889 112.889 115.097 -2.208 18942 6492 1 8 . 1 1 71 71 LYS C C 71 177.551 177.551 178.023 -0.472 18942 6493 1 8 . 1 1 71 71 LYS CA C 71 58.190 58.190 57.823 0.367 18942 6494 1 8 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.334 0.503 18942 6495 1 8 . 1 1 71 71 LYS H H 71 7.124 7.124 7.640 -0.516 18942 6496 1 8 . 1 1 72 72 LYS N N 72 114.633 114.633 119.603 -4.970 18942 6497 1 8 . 1 1 72 72 LYS C C 72 176.789 176.789 177.082 -0.293 18942 6498 1 8 . 1 1 72 72 LYS CA C 72 55.865 55.865 57.667 -1.802 18942 6499 1 8 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.494 -0.087 18942 6500 1 8 . 1 1 72 72 LYS H H 72 7.150 7.150 7.554 -0.404 18942 6501 1 8 . 1 1 73 73 ILE N N 73 120.045 120.045 121.949 -1.904 18942 6502 1 8 . 1 1 73 73 ILE C C 73 176.494 176.494 174.872 1.622 18942 6503 1 8 . 1 1 73 73 ILE CA C 73 63.029 63.029 62.172 0.856 18942 6504 1 8 . 1 1 73 73 ILE CB C 73 37.347 37.347 37.108 0.239 18942 6505 1 8 . 1 1 73 73 ILE H H 73 7.164 7.164 7.805 -0.641 18942 6506 1 8 . 1 1 74 74 VAL N N 74 126.199 126.199 123.420 2.779 18942 6507 1 8 . 1 1 74 74 VAL C C 74 174.021 174.021 174.153 -0.132 18942 6508 1 8 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.554 0.093 18942 6509 1 8 . 1 1 74 74 VAL CB C 74 33.973 33.973 34.676 -0.703 18942 6510 1 8 . 1 1 74 74 VAL H H 74 8.174 8.174 7.962 0.212 18942 6511 1 8 . 1 1 75 75 GLN N N 75 123.009 123.009 121.951 1.058 18942 6512 1 8 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.750 0.728 18942 6513 1 8 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.828 -2.696 18942 6514 1 8 . 1 1 75 75 GLN H H 75 7.569 7.569 6.890 0.679 18942 6515 1 8 . 1 1 76 76 ARG N N 76 129.740 129.740 122.475 7.265 18942 6516 1 8 . 1 1 76 76 ARG C C 76 178.628 178.628 176.395 2.233 18942 6517 1 8 . 1 1 76 76 ARG CA C 76 57.917 57.917 55.879 2.038 18942 6518 1 8 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.842 -1.063 18942 6519 1 8 . 1 1 76 76 ARG H H 76 9.670 9.670 8.550 1.120 18942 6520 1 8 . 1 1 77 77 GLY N N 77 106.443 106.443 107.127 -0.684 18942 6521 1 8 . 1 1 77 77 GLY C C 77 174.221 174.221 173.402 0.819 18942 6522 1 8 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.334 0.582 18942 6523 1 8 . 1 1 77 77 GLY H H 77 7.360 7.360 8.096 -0.736 18942 6524 1 8 . 1 1 78 78 GLY N N 78 103.622 103.622 110.303 -6.681 18942 6525 1 8 . 1 1 78 78 GLY C C 78 172.710 172.710 172.880 -0.170 18942 6526 1 8 . 1 1 78 78 GLY CA C 78 46.986 46.986 43.889 3.097 18942 6527 1 8 . 1 1 78 78 GLY H H 78 7.851 7.851 8.612 -0.761 18942 6528 1 8 . 1 1 79 79 ARG N N 79 124.452 124.452 118.971 5.481 18942 6529 1 8 . 1 1 79 79 ARG C C 79 174.484 174.484 175.836 -1.352 18942 6530 1 8 . 1 1 79 79 ARG CA C 79 57.437 57.437 56.040 1.397 18942 6531 1 8 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.892 -1.554 18942 6532 1 8 . 1 1 79 79 ARG H H 79 9.952 9.952 9.109 0.843 18942 6533 1 8 . 1 1 80 80 GLN N N 80 113.887 113.887 118.086 -4.199 18942 6534 1 8 . 1 1 80 80 GLN C C 80 173.824 173.824 173.527 0.297 18942 6535 1 8 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.438 0.603 18942 6536 1 8 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.818 1.837 18942 6537 1 8 . 1 1 80 80 GLN H H 80 7.411 7.411 7.603 -0.192 18942 6538 1 8 . 1 1 81 81 THR N N 81 117.791 117.791 119.718 -1.927 18942 6539 1 8 . 1 1 81 81 THR C C 81 175.393 175.393 173.674 1.719 18942 6540 1 8 . 1 1 81 81 THR CA C 81 62.222 62.222 61.550 0.673 18942 6541 1 8 . 1 1 81 81 THR CB C 81 71.140 71.140 69.771 1.369 18942 6542 1 8 . 1 1 81 81 THR H H 81 11.198 11.198 8.412 2.786 18942 6543 1 8 . 1 1 82 82 MET N N 82 128.338 128.338 128.535 -0.197 18942 6544 1 8 . 1 1 82 82 MET C C 82 175.011 175.011 176.207 -1.196 18942 6545 1 8 . 1 1 82 82 MET CA C 82 52.078 52.078 52.712 -0.634 18942 6546 1 8 . 1 1 82 82 MET CB C 82 29.146 29.146 33.041 -3.896 18942 6547 1 8 . 1 1 82 82 MET H H 82 8.679 8.679 9.127 -0.448 18942 6548 1 8 . 1 1 83 83 THR N N 83 120.032 120.032 122.209 -2.177 18942 6549 1 8 . 1 1 83 83 THR C C 83 175.014 175.014 175.883 -0.869 18942 6550 1 8 . 1 1 83 83 THR CA C 83 65.627 65.627 66.861 -1.234 18942 6551 1 8 . 1 1 83 83 THR CB C 83 69.254 69.254 68.724 0.530 18942 6552 1 8 . 1 1 83 83 THR H H 83 6.986 6.986 8.906 -1.920 18942 6553 1 8 . 1 1 84 84 ALA N N 84 126.207 126.207 123.286 2.921 18942 6554 1 8 . 1 1 84 84 ALA C C 84 179.500 179.500 179.162 0.338 18942 6555 1 8 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.846 1.223 18942 6556 1 8 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.160 -1.430 18942 6557 1 8 . 1 1 84 84 ALA H H 84 10.069 10.069 8.077 1.992 18942 6558 1 8 . 1 1 85 85 LEU N N 85 119.501 119.501 120.067 -0.566 18942 6559 1 8 . 1 1 85 85 LEU C C 85 181.098 181.098 178.906 2.192 18942 6560 1 8 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.628 0.278 18942 6561 1 8 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.676 0.092 18942 6562 1 8 . 1 1 85 85 LEU H H 85 8.166 8.166 7.563 0.603 18942 6563 1 8 . 1 1 86 86 GLY N N 86 110.546 110.546 107.431 3.115 18942 6564 1 8 . 1 1 86 86 GLY C C 86 174.135 174.135 176.033 -1.898 18942 6565 1 8 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.031 0.292 18942 6566 1 8 . 1 1 86 86 GLY H H 86 8.720 8.720 7.807 0.913 18942 6567 1 8 . 1 1 87 87 ILE N N 87 120.213 120.213 121.904 -1.691 18942 6568 1 8 . 1 1 87 87 ILE C C 87 177.503 177.503 177.336 0.167 18942 6569 1 8 . 1 1 87 87 ILE CA C 87 66.253 66.253 65.236 1.017 18942 6570 1 8 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.662 1.249 18942 6571 1 8 . 1 1 87 87 ILE H H 87 8.141 8.141 7.713 0.428 18942 6572 1 8 . 1 1 88 88 ASP N N 88 118.326 118.326 120.156 -1.830 18942 6573 1 8 . 1 1 88 88 ASP C C 88 178.751 178.751 178.673 0.078 18942 6574 1 8 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.758 -0.189 18942 6575 1 8 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.906 2.342 18942 6576 1 8 . 1 1 88 88 ASP H H 88 8.512 8.512 8.500 0.012 18942 6577 1 8 . 1 1 89 89 THR N N 89 112.028 112.028 116.002 -3.974 18942 6578 1 8 . 1 1 89 89 THR C C 89 176.400 176.400 176.237 0.163 18942 6579 1 8 . 1 1 89 89 THR CA C 89 68.345 68.345 65.468 2.877 18942 6580 1 8 . 1 1 89 89 THR CB C 89 67.082 67.082 68.960 -1.878 18942 6581 1 8 . 1 1 89 89 THR H H 89 8.470 8.470 7.994 0.476 18942 6582 1 8 . 1 1 90 90 ALA N N 90 124.209 124.209 125.130 -0.921 18942 6583 1 8 . 1 1 90 90 ALA C C 90 178.756 178.756 178.825 -0.069 18942 6584 1 8 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.311 0.705 18942 6585 1 8 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.372 0.637 18942 6586 1 8 . 1 1 90 90 ALA H H 90 8.159 8.159 8.019 0.140 18942 6587 1 8 . 1 1 91 91 ARG N N 91 116.481 116.481 116.010 0.471 18942 6588 1 8 . 1 1 91 91 ARG C C 91 177.990 177.990 177.996 -0.006 18942 6589 1 8 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.684 2.045 18942 6590 1 8 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.070 -0.152 18942 6591 1 8 . 1 1 91 91 ARG H H 91 8.479 8.479 7.990 0.489 18942 6592 1 8 . 1 1 92 92 LYS N N 92 113.675 113.675 116.173 -2.498 18942 6593 1 8 . 1 1 92 92 LYS C C 92 178.208 178.208 176.461 1.747 18942 6594 1 8 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.632 1.348 18942 6595 1 8 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.091 1.142 18942 6596 1 8 . 1 1 92 92 LYS H H 92 8.073 8.073 7.605 0.468 18942 6597 1 8 . 1 1 93 93 GLU N N 93 112.950 112.950 117.696 -4.746 18942 6598 1 8 . 1 1 93 93 GLU C C 93 178.160 178.160 177.014 1.146 18942 6599 1 8 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.683 -0.383 18942 6600 1 8 . 1 1 93 93 GLU CB C 93 33.059 33.059 31.529 1.530 18942 6601 1 8 . 1 1 93 93 GLU H H 93 8.678 8.678 8.112 0.566 18942 6602 1 8 . 1 1 94 94 ALA N N 94 119.150 119.150 123.653 -4.503 18942 6603 1 8 . 1 1 94 94 ALA C C 94 177.262 177.262 179.538 -2.276 18942 6604 1 8 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.558 0.553 18942 6605 1 8 . 1 1 94 94 ALA CB C 94 20.213 20.213 18.988 1.225 18942 6606 1 8 . 1 1 94 94 ALA H H 94 8.529 8.529 7.759 0.770 18942 6607 1 8 . 1 1 95 95 PHE N N 95 111.282 111.282 118.468 -7.186 18942 6608 1 8 . 1 1 95 95 PHE C C 95 175.308 175.308 174.997 0.311 18942 6609 1 8 . 1 1 95 95 PHE CA C 95 56.984 56.984 56.679 0.305 18942 6610 1 8 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.397 0.568 18942 6611 1 8 . 1 1 95 95 PHE H H 95 6.981 6.981 8.188 -1.207 18942 6612 1 8 . 1 1 96 96 THR N N 96 106.274 106.274 110.689 -4.415 18942 6613 1 8 . 1 1 96 96 THR CA C 96 59.540 59.540 59.833 -0.293 18942 6614 1 8 . 1 1 96 96 THR CB C 96 71.910 71.910 72.031 -0.121 18942 6615 1 8 . 1 1 96 96 THR H H 96 6.842 6.842 7.371 -0.529 18942 6616 1 8 . 1 1 98 98 ALA C C 98 179.284 179.284 179.154 0.130 18942 6617 1 8 . 1 1 98 98 ALA CA C 98 55.021 55.021 53.633 1.387 18942 6618 1 8 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.516 0.140 18942 6619 1 8 . 1 1 99 99 ARG N N 99 114.439 114.439 117.542 -3.103 18942 6620 1 8 . 1 1 99 99 ARG C C 99 174.052 174.052 176.174 -2.122 18942 6621 1 8 . 1 1 99 99 ARG CA C 99 56.715 56.715 55.041 1.674 18942 6622 1 8 . 1 1 99 99 ARG CB C 99 30.274 30.274 31.002 -0.728 18942 6623 1 8 . 1 1 99 99 ARG H H 99 7.061 7.061 7.639 -0.578 18942 6624 1 8 . 1 1 100 100 GLY N N 100 101.608 101.608 105.116 -3.508 18942 6625 1 8 . 1 1 100 100 GLY C C 100 174.164 174.164 173.725 0.439 18942 6626 1 8 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.571 1.139 18942 6627 1 8 . 1 1 100 100 GLY H H 100 7.496 7.496 7.575 -0.079 18942 6628 1 8 . 1 1 101 101 ALA N N 101 123.007 123.007 123.554 -0.547 18942 6629 1 8 . 1 1 101 101 ALA C C 101 177.955 177.955 177.222 0.733 18942 6630 1 8 . 1 1 101 101 ALA CA C 101 53.120 53.120 51.468 1.652 18942 6631 1 8 . 1 1 101 101 ALA CB C 101 18.525 18.525 19.955 -1.430 18942 6632 1 8 . 1 1 101 101 ALA H H 101 7.691 7.691 7.921 -0.230 18942 6633 1 8 . 1 1 102 102 ARG N N 102 124.837 124.837 122.251 2.586 18942 6634 1 8 . 1 1 102 102 ARG C C 102 176.459 176.459 176.407 0.052 18942 6635 1 8 . 1 1 102 102 ARG CA C 102 55.186 55.186 54.886 0.300 18942 6636 1 8 . 1 1 102 102 ARG CB C 102 32.273 32.273 31.178 1.095 18942 6637 1 8 . 1 1 102 102 ARG H H 102 9.456 9.456 9.183 0.273 18942 6638 1 8 . 1 1 103 103 ARG N N 103 123.729 123.729 121.181 2.548 18942 6639 1 8 . 1 1 103 103 ARG CA C 103 57.793 57.793 55.923 1.870 18942 6640 1 8 . 1 1 103 103 ARG CB C 103 30.039 30.039 30.604 -0.565 18942 6641 1 8 . 1 1 103 103 ARG H H 103 8.520 8.520 8.583 -0.063 18942 6642 1 8 . 1 1 104 104 GLY N N 104 108.061 108.061 112.694 -4.633 18942 6643 1 8 . 1 1 104 104 GLY CA C 104 45.909 45.909 45.021 0.888 18942 6644 1 8 . 1 1 104 104 GLY H H 104 8.345 8.345 8.805 -0.460 18942 6645 1 8 . 1 1 105 105 VAL N N 105 118.807 118.807 117.723 1.084 18942 6646 1 8 . 1 1 105 105 VAL C C 105 176.102 176.102 174.742 1.360 18942 6647 1 8 . 1 1 105 105 VAL CA C 105 61.805 61.805 59.437 2.369 18942 6648 1 8 . 1 1 105 105 VAL CB C 105 31.820 31.820 34.399 -2.579 18942 6649 1 8 . 1 1 105 105 VAL H H 105 7.298 7.298 7.552 -0.254 18942 6650 1 8 . 1 1 106 106 LYS N N 106 127.841 127.841 124.090 3.751 18942 6651 1 8 . 1 1 106 106 LYS C C 106 174.143 174.143 175.807 -1.664 18942 6652 1 8 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.406 1.241 18942 6653 1 8 . 1 1 106 106 LYS CB C 106 33.387 33.387 31.689 1.698 18942 6654 1 8 . 1 1 106 106 LYS H H 106 8.288 8.288 8.568 -0.280 18942 6655 1 8 . 1 1 107 107 LYS N N 107 122.939 122.939 125.409 -2.470 18942 6656 1 8 . 1 1 107 107 LYS C C 107 176.540 176.540 175.737 0.803 18942 6657 1 8 . 1 1 107 107 LYS CA C 107 55.587 55.587 55.548 0.039 18942 6658 1 8 . 1 1 107 107 LYS CB C 107 35.607 35.607 33.227 2.380 18942 6659 1 8 . 1 1 107 107 LYS H H 107 8.401 8.401 8.391 0.010 18942 6660 1 8 . 1 1 108 108 VAL N N 108 122.376 122.376 125.491 -3.115 18942 6661 1 8 . 1 1 108 108 VAL C C 108 174.507 174.507 174.773 -0.266 18942 6662 1 8 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.604 -0.593 18942 6663 1 8 . 1 1 108 108 VAL CB C 108 36.923 36.923 35.232 1.691 18942 6664 1 8 . 1 1 108 108 VAL H H 108 8.940 8.940 9.026 -0.086 18942 6665 1 8 . 1 1 109 109 MET N N 109 124.377 124.377 124.857 -0.480 18942 6666 1 8 . 1 1 109 109 MET C C 109 175.232 175.232 174.729 0.503 18942 6667 1 8 . 1 1 109 109 MET CA C 109 54.123 54.123 54.602 -0.479 18942 6668 1 8 . 1 1 109 109 MET CB C 109 39.360 39.360 36.063 3.297 18942 6669 1 8 . 1 1 109 109 MET H H 109 9.599 9.599 9.286 0.313 18942 6670 1 8 . 1 1 110 110 VAL N N 110 123.296 123.296 124.890 -1.594 18942 6671 1 8 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.503 -0.305 18942 6672 1 8 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.677 0.498 18942 6673 1 8 . 1 1 110 110 VAL H H 110 8.484 8.484 9.262 -0.778 18942 6674 1 8 . 1 1 111 111 ILE N N 111 128.689 128.689 127.028 1.661 18942 6675 1 8 . 1 1 111 111 ILE C C 111 173.965 173.965 175.003 -1.038 18942 6676 1 8 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.320 2.017 18942 6677 1 8 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.494 -0.205 18942 6678 1 8 . 1 1 111 111 ILE H H 111 9.330 9.330 9.224 0.106 18942 6679 1 8 . 1 1 112 112 VAL N N 112 127.498 127.498 125.317 2.181 18942 6680 1 8 . 1 1 112 112 VAL C C 112 174.932 174.932 175.723 -0.791 18942 6681 1 8 . 1 1 112 112 VAL CA C 112 60.642 60.642 61.677 -1.035 18942 6682 1 8 . 1 1 112 112 VAL CB C 112 33.190 33.190 33.411 -0.222 18942 6683 1 8 . 1 1 112 112 VAL H H 112 8.376 8.376 8.285 0.091 18942 6684 1 8 . 1 1 113 113 THR N N 113 116.756 116.756 124.370 -7.614 18942 6685 1 8 . 1 1 113 113 THR C C 113 170.881 170.881 173.337 -2.456 18942 6686 1 8 . 1 1 113 113 THR CA C 113 60.693 60.693 62.449 -1.756 18942 6687 1 8 . 1 1 113 113 THR CB C 113 67.772 67.772 69.402 -1.630 18942 6688 1 8 . 1 1 113 113 THR H H 113 8.521 8.521 8.914 -0.393 18942 6689 1 8 . 1 1 114 114 ASP N N 114 122.719 122.719 125.632 -2.913 18942 6690 1 8 . 1 1 114 114 ASP C C 114 177.015 177.015 176.082 0.933 18942 6691 1 8 . 1 1 114 114 ASP CA C 114 54.041 54.041 53.956 0.085 18942 6692 1 8 . 1 1 114 114 ASP CB C 114 42.671 42.671 42.937 -0.266 18942 6693 1 8 . 1 1 114 114 ASP H H 114 7.341 7.341 8.635 -1.294 18942 6694 1 8 . 1 1 115 115 GLY N N 115 103.370 103.370 108.067 -4.697 18942 6695 1 8 . 1 1 115 115 GLY C C 115 171.751 171.751 173.203 -1.452 18942 6696 1 8 . 1 1 115 115 GLY CA C 115 46.670 46.670 44.962 1.708 18942 6697 1 8 . 1 1 115 115 GLY H H 115 7.312 7.312 8.067 -0.755 18942 6698 1 8 . 1 1 116 116 GLU N N 116 120.631 120.631 122.056 -1.425 18942 6699 1 8 . 1 1 116 116 GLU C C 116 175.037 175.037 175.270 -0.233 18942 6700 1 8 . 1 1 116 116 GLU CA C 116 54.252 54.252 56.334 -2.082 18942 6701 1 8 . 1 1 116 116 GLU CB C 116 27.313 27.313 31.731 -4.418 18942 6702 1 8 . 1 1 116 116 GLU H H 116 7.332 7.332 8.833 -1.501 18942 6703 1 8 . 1 1 117 117 SER N N 117 116.730 116.730 118.787 -2.057 18942 6704 1 8 . 1 1 117 117 SER C C 117 176.356 176.356 174.774 1.582 18942 6705 1 8 . 1 1 117 117 SER CA C 117 57.832 57.832 59.527 -1.695 18942 6706 1 8 . 1 1 117 117 SER CB C 117 66.407 66.407 62.897 3.510 18942 6707 1 8 . 1 1 117 117 SER H H 117 7.964 7.964 9.082 -1.118 18942 6708 1 8 . 1 1 118 118 HIS N N 118 115.543 115.543 122.871 -7.328 18942 6709 1 8 . 1 1 118 118 HIS C C 118 176.602 176.602 174.487 2.115 18942 6710 1 8 . 1 1 118 118 HIS CA C 118 59.291 59.291 57.217 2.075 18942 6711 1 8 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.215 2.604 18942 6712 1 8 . 1 1 118 118 HIS H H 118 9.274 9.274 8.323 0.951 18942 6713 1 8 . 1 1 119 119 ASP N N 119 120.197 120.197 119.002 1.195 18942 6714 1 8 . 1 1 119 119 ASP CA C 119 52.565 52.565 53.446 -0.881 18942 6715 1 8 . 1 1 119 119 ASP CB C 119 40.309 40.309 42.275 -1.966 18942 6716 1 8 . 1 1 119 119 ASP H H 119 8.160 8.160 7.947 0.213 18942 6717 1 8 . 1 1 120 120 ASN CA C 120 56.154 56.154 53.848 2.306 18942 6718 1 8 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.244 -0.105 18942 6719 1 8 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.377 -1.905 18942 6720 1 8 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.964 -0.454 18942 6721 1 8 . 1 1 122 122 ARG N N 122 117.636 117.636 119.672 -2.036 18942 6722 1 8 . 1 1 122 122 ARG CA C 122 55.611 55.611 59.062 -3.451 18942 6723 1 8 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.037 1.749 18942 6724 1 8 . 1 1 122 122 ARG H H 122 7.299 7.299 9.186 -1.887 18942 6725 1 8 . 1 1 123 123 LEU N N 123 119.507 119.507 121.487 -1.980 18942 6726 1 8 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.114 0.357 18942 6727 1 8 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.176 1.000 18942 6728 1 8 . 1 1 123 123 LEU H H 123 7.065 7.065 8.039 -0.974 18942 6729 1 8 . 1 1 124 124 LYS N N 124 116.723 116.723 118.559 -1.836 18942 6730 1 8 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.719 0.754 18942 6731 1 8 . 1 1 124 124 LYS CB C 124 31.875 31.875 32.192 -0.317 18942 6732 1 8 . 1 1 124 124 LYS H H 124 8.426 8.426 7.801 0.625 18942 6733 1 8 . 1 1 125 125 LYS N N 125 119.329 119.329 119.840 -0.511 18942 6734 1 8 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.961 -0.609 18942 6735 1 8 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.058 -0.574 18942 6736 1 8 . 1 1 125 125 LYS H H 125 7.746 7.746 7.344 0.402 18942 6737 1 8 . 1 1 126 126 VAL N N 126 117.688 117.688 119.853 -2.165 18942 6738 1 8 . 1 1 126 126 VAL C C 126 178.187 178.187 178.805 -0.618 18942 6739 1 8 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.556 -0.414 18942 6740 1 8 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.679 0.297 18942 6741 1 8 . 1 1 126 126 VAL H H 126 7.450 7.450 8.425 -0.975 18942 6742 1 8 . 1 1 127 127 ILE N N 127 120.125 120.125 120.310 -0.185 18942 6743 1 8 . 1 1 127 127 ILE C C 127 178.008 178.008 177.531 0.477 18942 6744 1 8 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.616 -1.333 18942 6745 1 8 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.429 -2.060 18942 6746 1 8 . 1 1 127 127 ILE H H 127 8.653 8.653 7.983 0.670 18942 6747 1 8 . 1 1 128 128 GLN N N 128 121.110 121.110 120.401 0.709 18942 6748 1 8 . 1 1 128 128 GLN C C 128 178.258 178.258 178.161 0.097 18942 6749 1 8 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.465 -0.668 18942 6750 1 8 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.373 -0.868 18942 6751 1 8 . 1 1 128 128 GLN H H 128 8.009 8.009 8.172 -0.163 18942 6752 1 8 . 1 1 129 129 ASP N N 129 119.024 119.024 120.992 -1.968 18942 6753 1 8 . 1 1 129 129 ASP C C 129 179.705 179.705 178.694 1.011 18942 6754 1 8 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.808 0.254 18942 6755 1 8 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.586 -0.809 18942 6756 1 8 . 1 1 129 129 ASP H H 129 8.428 8.428 8.204 0.224 18942 6757 1 8 . 1 1 130 130 CYS N N 130 115.536 115.536 117.750 -2.214 18942 6758 1 8 . 1 1 130 130 CYS C C 130 176.824 176.824 176.289 0.535 18942 6759 1 8 . 1 1 130 130 CYS CA C 130 64.211 64.211 64.171 0.039 18942 6760 1 8 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.371 0.399 18942 6761 1 8 . 1 1 130 130 CYS H H 130 7.608 7.608 8.462 -0.854 18942 6762 1 8 . 1 1 131 131 GLU N N 131 123.098 123.098 121.255 1.843 18942 6763 1 8 . 1 1 131 131 GLU C C 131 180.904 180.904 178.012 2.892 18942 6764 1 8 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.272 -0.262 18942 6765 1 8 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.538 -0.120 18942 6766 1 8 . 1 1 131 131 GLU H H 131 8.538 8.538 8.175 0.363 18942 6767 1 8 . 1 1 132 132 ASP N N 132 121.058 121.058 119.683 1.375 18942 6768 1 8 . 1 1 132 132 ASP C C 132 177.666 177.666 178.065 -0.399 18942 6769 1 8 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.498 0.504 18942 6770 1 8 . 1 1 132 132 ASP CB C 132 40.439 40.439 40.966 -0.527 18942 6771 1 8 . 1 1 132 132 ASP H H 132 8.844 8.844 8.057 0.787 18942 6772 1 8 . 1 1 133 133 GLU N N 133 116.312 116.312 117.696 -1.384 18942 6773 1 8 . 1 1 133 133 GLU C C 133 174.841 174.841 176.059 -1.218 18942 6774 1 8 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.525 -0.227 18942 6775 1 8 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.273 -0.007 18942 6776 1 8 . 1 1 133 133 GLU H H 133 6.997 6.997 8.075 -1.078 18942 6777 1 8 . 1 1 134 134 ASN N N 134 113.879 113.879 115.786 -1.907 18942 6778 1 8 . 1 1 134 134 ASN C C 134 174.994 174.994 174.311 0.683 18942 6779 1 8 . 1 1 134 134 ASN CA C 134 54.449 54.449 54.265 0.184 18942 6780 1 8 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.758 0.389 18942 6781 1 8 . 1 1 134 134 ASN H H 134 8.069 8.069 7.595 0.474 18942 6782 1 8 . 1 1 135 135 ILE N N 135 118.502 118.502 119.025 -0.523 18942 6783 1 8 . 1 1 135 135 ILE C C 135 175.226 175.226 175.890 -0.664 18942 6784 1 8 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.508 -0.222 18942 6785 1 8 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.176 -0.120 18942 6786 1 8 . 1 1 135 135 ILE H H 135 7.583 7.583 8.192 -0.609 18942 6787 1 8 . 1 1 136 136 GLN N N 136 131.359 131.359 125.300 6.059 18942 6788 1 8 . 1 1 136 136 GLN C C 136 174.743 174.743 174.796 -0.053 18942 6789 1 8 . 1 1 136 136 GLN CA C 136 56.088 56.088 54.822 1.266 18942 6790 1 8 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.832 0.553 18942 6791 1 8 . 1 1 136 136 GLN H H 136 7.950 7.950 8.295 -0.345 18942 6792 1 8 . 1 1 137 137 ARG N N 137 124.191 124.191 125.311 -1.120 18942 6793 1 8 . 1 1 137 137 ARG C C 137 175.598 175.598 174.926 0.672 18942 6794 1 8 . 1 1 137 137 ARG CA C 137 54.853 54.853 55.163 -0.310 18942 6795 1 8 . 1 1 137 137 ARG CB C 137 31.120 31.120 31.202 -0.082 18942 6796 1 8 . 1 1 137 137 ARG H H 137 9.182 9.182 8.326 0.856 18942 6797 1 8 . 1 1 138 138 PHE N N 138 121.323 121.323 124.106 -2.783 18942 6798 1 8 . 1 1 138 138 PHE C C 138 175.241 175.241 175.268 -0.027 18942 6799 1 8 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.688 -0.047 18942 6800 1 8 . 1 1 138 138 PHE CB C 138 42.394 42.394 41.975 0.419 18942 6801 1 8 . 1 1 138 138 PHE H H 138 9.214 9.214 9.153 0.061 18942 6802 1 8 . 1 1 139 139 SER N N 139 118.044 118.044 119.750 -1.706 18942 6803 1 8 . 1 1 139 139 SER C C 139 171.137 171.137 173.367 -2.230 18942 6804 1 8 . 1 1 139 139 SER CA C 139 55.777 55.777 57.904 -2.127 18942 6805 1 8 . 1 1 139 139 SER CB C 139 66.783 66.783 64.557 2.226 18942 6806 1 8 . 1 1 139 139 SER H H 139 9.601 9.601 8.900 0.701 18942 6807 1 8 . 1 1 140 140 ILE N N 140 123.236 123.236 123.881 -0.645 18942 6808 1 8 . 1 1 140 140 ILE C C 140 174.822 174.822 174.430 0.392 18942 6809 1 8 . 1 1 140 140 ILE CA C 140 56.556 56.556 57.604 -1.048 18942 6810 1 8 . 1 1 140 140 ILE CB C 140 37.629 37.629 37.171 0.458 18942 6811 1 8 . 1 1 140 140 ILE H H 140 9.066 9.066 8.809 0.257 18942 6812 1 8 . 1 1 141 141 ALA N N 141 125.375 125.375 130.631 -5.256 18942 6813 1 8 . 1 1 141 141 ALA C C 141 177.131 177.131 175.688 1.443 18942 6814 1 8 . 1 1 141 141 ALA CA C 141 51.117 51.117 50.020 1.097 18942 6815 1 8 . 1 1 141 141 ALA CB C 141 21.403 21.403 21.093 0.310 18942 6816 1 8 . 1 1 141 141 ALA H H 141 8.790 8.790 8.805 -0.015 18942 6817 1 8 . 1 1 142 142 ILE N N 142 123.744 123.744 126.548 -2.804 18942 6818 1 8 . 1 1 142 142 ILE C C 142 174.758 174.758 174.002 0.756 18942 6819 1 8 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.933 -1.740 18942 6820 1 8 . 1 1 142 142 ILE CB C 142 39.082 39.082 39.885 -0.802 18942 6821 1 8 . 1 1 142 142 ILE H H 142 7.973 7.973 8.111 -0.138 18942 6822 1 8 . 1 1 143 143 LEU N N 143 123.041 123.041 125.733 -2.692 18942 6823 1 8 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.997 0.975 18942 6824 1 8 . 1 1 143 143 LEU CB C 143 43.790 43.790 45.022 -1.232 18942 6825 1 8 . 1 1 143 143 LEU H H 143 8.019 8.019 7.861 0.158 18942 6826 1 8 . 1 1 144 144 GLY N N 144 108.993 108.993 107.357 1.636 18942 6827 1 8 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.067 2.172 18942 6828 1 8 . 1 1 144 144 GLY H H 144 8.581 8.581 7.677 0.904 18942 6829 1 8 . 1 1 145 145 SER N N 145 114.953 114.953 114.800 0.153 18942 6830 1 8 . 1 1 145 145 SER CA C 145 58.614 58.614 59.379 -0.765 18942 6831 1 8 . 1 1 145 145 SER CB C 145 63.966 63.966 63.339 0.627 18942 6832 1 8 . 1 1 145 145 SER H H 145 8.589 8.589 8.338 0.251 18942 6833 1 8 . 1 1 146 146 TYR N N 146 117.249 117.249 122.328 -5.079 18942 6834 1 8 . 1 1 146 146 TYR CA C 146 56.684 56.684 57.814 -1.130 18942 6835 1 8 . 1 1 146 146 TYR CB C 146 39.174 39.174 37.835 1.339 18942 6836 1 8 . 1 1 146 146 TYR H H 146 7.476 7.476 7.859 -0.383 18942 6837 1 8 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.545 0.341 18942 6838 1 8 . 1 1 147 147 ASN CB C 147 38.657 38.657 40.018 -1.361 18942 6839 1 8 . 1 1 148 148 ARG N N 148 123.288 123.288 122.841 0.447 18942 6840 1 8 . 1 1 148 148 ARG CA C 148 55.535 55.535 55.902 -0.367 18942 6841 1 8 . 1 1 148 148 ARG CB C 148 30.764 30.764 31.289 -0.525 18942 6842 1 8 . 1 1 148 148 ARG H H 148 8.404 8.404 8.699 -0.295 18942 6843 1 8 . 1 1 149 149 GLY N N 149 107.339 107.339 109.388 -2.049 18942 6844 1 8 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.163 1.766 18942 6845 1 8 . 1 1 149 149 GLY H H 149 8.224 8.224 7.992 0.232 18942 6846 1 8 . 1 1 150 150 ASN N N 150 119.090 119.090 122.357 -3.267 18942 6847 1 8 . 1 1 150 150 ASN C C 150 175.341 175.341 175.638 -0.297 18942 6848 1 8 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.434 0.953 18942 6849 1 8 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.096 1.610 18942 6850 1 8 . 1 1 150 150 ASN H H 150 8.309 8.309 8.766 -0.457 18942 6851 1 8 . 1 1 151 151 LEU N N 151 121.177 121.177 119.383 1.794 18942 6852 1 8 . 1 1 151 151 LEU C C 151 177.527 177.527 176.603 0.924 18942 6853 1 8 . 1 1 151 151 LEU CA C 151 55.737 55.737 55.368 0.369 18942 6854 1 8 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.415 0.258 18942 6855 1 8 . 1 1 151 151 LEU H H 151 7.929 7.929 7.865 0.064 18942 6856 1 8 . 1 1 152 152 SER N N 152 115.325 115.325 113.268 2.057 18942 6857 1 8 . 1 1 152 152 SER C C 152 175.354 175.354 175.344 0.010 18942 6858 1 8 . 1 1 152 152 SER CA C 152 57.739 57.739 58.818 -1.079 18942 6859 1 8 . 1 1 152 152 SER CB C 152 63.247 63.247 61.357 1.890 18942 6860 1 8 . 1 1 152 152 SER H H 152 8.185 8.185 8.025 0.160 18942 6861 1 8 . 1 1 153 153 THR N N 153 115.287 115.287 117.771 -2.484 18942 6862 1 8 . 1 1 153 153 THR C C 153 175.758 175.758 175.932 -0.174 18942 6863 1 8 . 1 1 153 153 THR CA C 153 63.577 63.577 66.269 -2.692 18942 6864 1 8 . 1 1 153 153 THR CB C 153 69.280 69.280 68.684 0.595 18942 6865 1 8 . 1 1 153 153 THR H H 153 8.134 8.134 8.612 -0.478 18942 6866 1 8 . 1 1 154 154 GLU N N 154 121.501 121.501 120.939 0.562 18942 6867 1 8 . 1 1 154 154 GLU C C 154 178.589 178.589 178.303 0.286 18942 6868 1 8 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.995 0.983 18942 6869 1 8 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.477 0.871 18942 6870 1 8 . 1 1 154 154 GLU H H 154 8.342 8.342 8.516 -0.174 18942 6871 1 8 . 1 1 155 155 LYS N N 155 117.473 117.473 118.905 -1.432 18942 6872 1 8 . 1 1 155 155 LYS C C 155 179.039 179.039 178.949 0.090 18942 6873 1 8 . 1 1 155 155 LYS CA C 155 58.776 58.776 57.840 0.936 18942 6874 1 8 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.986 -0.143 18942 6875 1 8 . 1 1 155 155 LYS H H 155 7.752 7.752 7.718 0.034 18942 6876 1 8 . 1 1 156 156 PHE N N 156 120.254 120.254 118.188 2.066 18942 6877 1 8 . 1 1 156 156 PHE C C 156 178.765 178.765 177.315 1.450 18942 6878 1 8 . 1 1 156 156 PHE CA C 156 57.339 57.339 57.539 -0.200 18942 6879 1 8 . 1 1 156 156 PHE CB C 156 37.037 37.037 38.722 -1.685 18942 6880 1 8 . 1 1 156 156 PHE H H 156 7.072 7.072 7.301 -0.229 18942 6881 1 8 . 1 1 157 157 VAL N N 157 118.268 118.268 120.246 -1.978 18942 6882 1 8 . 1 1 157 157 VAL C C 157 177.861 177.861 177.336 0.525 18942 6883 1 8 . 1 1 157 157 VAL CA C 157 67.455 67.455 66.887 0.568 18942 6884 1 8 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.947 -0.084 18942 6885 1 8 . 1 1 157 157 VAL H H 157 8.007 8.007 8.230 -0.223 18942 6886 1 8 . 1 1 158 158 GLU N N 158 117.100 117.100 119.617 -2.517 18942 6887 1 8 . 1 1 158 158 GLU C C 158 179.377 179.377 178.431 0.946 18942 6888 1 8 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.822 -0.331 18942 6889 1 8 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.882 0.464 18942 6890 1 8 . 1 1 158 158 GLU H H 158 7.875 7.875 8.282 -0.407 18942 6891 1 8 . 1 1 159 159 GLU N N 159 119.959 119.959 119.281 0.678 18942 6892 1 8 . 1 1 159 159 GLU C C 159 179.622 179.622 178.300 1.322 18942 6893 1 8 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.797 1.554 18942 6894 1 8 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.282 0.077 18942 6895 1 8 . 1 1 159 159 GLU H H 159 7.746 7.746 7.871 -0.125 18942 6896 1 8 . 1 1 160 160 ILE N N 160 119.530 119.530 119.024 0.506 18942 6897 1 8 . 1 1 160 160 ILE C C 160 180.262 180.262 177.906 2.356 18942 6898 1 8 . 1 1 160 160 ILE CA C 160 66.305 66.305 62.914 3.391 18942 6899 1 8 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.497 0.822 18942 6900 1 8 . 1 1 160 160 ILE H H 160 8.094 8.094 7.404 0.690 18942 6901 1 8 . 1 1 161 161 LYS N N 161 121.437 121.437 121.300 0.137 18942 6902 1 8 . 1 1 161 161 LYS C C 161 178.518 178.518 178.424 0.094 18942 6903 1 8 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.347 1.309 18942 6904 1 8 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.482 1.119 18942 6905 1 8 . 1 1 161 161 LYS H H 161 8.500 8.500 8.520 -0.020 18942 6906 1 8 . 1 1 162 162 SER N N 162 113.380 113.380 115.461 -2.081 18942 6907 1 8 . 1 1 162 162 SER C C 162 174.773 174.773 175.073 -0.300 18942 6908 1 8 . 1 1 162 162 SER CA C 162 61.208 61.208 60.926 0.282 18942 6909 1 8 . 1 1 162 162 SER CB C 162 62.725 62.725 62.815 -0.090 18942 6910 1 8 . 1 1 162 162 SER H H 162 7.653 7.653 7.688 -0.035 18942 6911 1 8 . 1 1 163 163 ILE N N 163 121.115 121.115 119.844 1.271 18942 6912 1 8 . 1 1 163 163 ILE C C 163 175.371 175.371 175.593 -0.222 18942 6913 1 8 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.813 -0.959 18942 6914 1 8 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.053 1.584 18942 6915 1 8 . 1 1 163 163 ILE H H 163 7.068 7.068 7.290 -0.222 18942 6916 1 8 . 1 1 164 164 ALA N N 164 120.332 120.332 120.857 -0.525 18942 6917 1 8 . 1 1 164 164 ALA C C 164 178.713 178.713 176.947 1.766 18942 6918 1 8 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.210 1.343 18942 6919 1 8 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.530 0.290 18942 6920 1 8 . 1 1 164 164 ALA H H 164 6.801 6.801 7.540 -0.739 18942 6921 1 8 . 1 1 165 165 SER N N 165 120.959 120.959 119.253 1.706 18942 6922 1 8 . 1 1 165 165 SER C C 165 171.079 171.079 174.999 -3.920 18942 6923 1 8 . 1 1 165 165 SER CA C 165 61.464 61.464 59.204 2.260 18942 6924 1 8 . 1 1 165 165 SER CB C 165 61.858 61.858 63.650 -1.792 18942 6925 1 8 . 1 1 165 165 SER H H 165 8.656 8.656 8.667 -0.011 18942 6926 1 8 . 1 1 166 166 GLU N N 166 116.428 116.428 121.795 -5.367 18942 6927 1 8 . 1 1 166 166 GLU CA C 166 54.147 54.147 53.572 0.575 18942 6928 1 8 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.330 0.727 18942 6929 1 8 . 1 1 166 166 GLU H H 166 7.949 7.949 7.719 0.230 18942 6930 1 8 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.425 -1.641 18942 6931 1 8 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.223 2.246 18942 6932 1 8 . 1 1 168 168 THR C C 168 176.433 176.433 176.405 0.028 18942 6933 1 8 . 1 1 168 168 THR CA C 168 67.606 67.606 65.290 2.316 18942 6934 1 8 . 1 1 168 168 THR CB C 168 69.086 69.086 68.969 0.117 18942 6935 1 8 . 1 1 169 169 GLU N N 169 118.116 118.116 119.557 -1.441 18942 6936 1 8 . 1 1 169 169 GLU C C 169 177.434 177.434 177.216 0.218 18942 6937 1 8 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.219 0.730 18942 6938 1 8 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.578 -1.008 18942 6939 1 8 . 1 1 169 169 GLU H H 169 9.598 9.598 8.595 1.003 18942 6940 1 8 . 1 1 170 170 LYS N N 170 114.965 114.965 113.826 1.139 18942 6941 1 8 . 1 1 170 170 LYS C C 170 173.967 173.967 176.358 -2.391 18942 6942 1 8 . 1 1 170 170 LYS CA C 170 56.221 56.221 56.317 -0.096 18942 6943 1 8 . 1 1 170 170 LYS CB C 170 33.814 33.814 33.309 0.505 18942 6944 1 8 . 1 1 170 170 LYS H H 170 7.300 7.300 7.607 -0.307 18942 6945 1 8 . 1 1 171 171 HIS N N 171 112.017 112.017 116.613 -4.596 18942 6946 1 8 . 1 1 171 171 HIS C C 171 171.860 171.860 172.784 -0.924 18942 6947 1 8 . 1 1 171 171 HIS CA C 171 57.840 57.840 56.428 1.412 18942 6948 1 8 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.834 -0.139 18942 6949 1 8 . 1 1 171 171 HIS H H 171 7.198 7.198 8.063 -0.865 18942 6950 1 8 . 1 1 172 172 PHE N N 172 121.188 121.188 121.286 -0.098 18942 6951 1 8 . 1 1 172 172 PHE C C 172 172.383 172.383 173.007 -0.624 18942 6952 1 8 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.710 -1.500 18942 6953 1 8 . 1 1 172 172 PHE CB C 172 41.412 41.412 41.746 -0.334 18942 6954 1 8 . 1 1 172 172 PHE H H 172 7.342 7.342 8.366 -1.024 18942 6955 1 8 . 1 1 173 173 PHE N N 173 120.855 120.855 122.622 -1.767 18942 6956 1 8 . 1 1 173 173 PHE C C 173 173.751 173.751 172.637 1.114 18942 6957 1 8 . 1 1 173 173 PHE CA C 173 55.895 55.895 55.497 0.398 18942 6958 1 8 . 1 1 173 173 PHE CB C 173 45.217 45.217 40.363 4.854 18942 6959 1 8 . 1 1 173 173 PHE H H 173 8.012 8.012 8.281 -0.269 18942 6960 1 8 . 1 1 174 174 ASN N N 174 118.624 118.624 117.607 1.017 18942 6961 1 8 . 1 1 174 174 ASN C C 174 176.826 176.826 176.562 0.264 18942 6962 1 8 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.245 1.053 18942 6963 1 8 . 1 1 174 174 ASN CB C 174 40.549 40.549 40.102 0.446 18942 6964 1 8 . 1 1 174 174 ASN H H 174 8.760 8.760 8.488 0.272 18942 6965 1 8 . 1 1 175 175 VAL N N 175 122.779 122.779 121.610 1.169 18942 6966 1 8 . 1 1 175 175 VAL C C 175 174.743 174.743 176.085 -1.342 18942 6967 1 8 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.224 -0.682 18942 6968 1 8 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.277 0.804 18942 6969 1 8 . 1 1 175 175 VAL H H 175 8.349 8.349 8.195 0.154 18942 6970 1 8 . 1 1 176 176 SER N N 176 111.983 111.983 110.173 1.810 18942 6971 1 8 . 1 1 176 176 SER C C 176 174.583 174.583 173.627 0.956 18942 6972 1 8 . 1 1 176 176 SER CA C 176 57.972 57.972 58.920 -0.948 18942 6973 1 8 . 1 1 176 176 SER CB C 176 63.722 63.722 63.316 0.407 18942 6974 1 8 . 1 1 176 176 SER H H 176 7.933 7.933 7.996 -0.063 18942 6975 1 8 . 1 1 177 177 ASP N N 177 122.321 122.321 122.181 0.140 18942 6976 1 8 . 1 1 177 177 ASP C C 177 178.008 178.008 175.972 2.036 18942 6977 1 8 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.562 0.753 18942 6978 1 8 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.035 -0.348 18942 6979 1 8 . 1 1 177 177 ASP H H 177 7.696 7.696 7.566 0.130 18942 6980 1 8 . 1 1 178 178 GLU N N 178 128.610 128.610 125.271 3.339 18942 6981 1 8 . 1 1 178 178 GLU C C 178 177.787 177.787 176.727 1.060 18942 6982 1 8 . 1 1 178 178 GLU CA C 178 59.124 59.124 57.380 1.744 18942 6983 1 8 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.695 0.029 18942 6984 1 8 . 1 1 178 178 GLU H H 178 9.211 9.211 8.784 0.427 18942 6985 1 8 . 1 1 179 179 LEU N N 179 117.532 117.532 122.604 -5.072 18942 6986 1 8 . 1 1 179 179 LEU C C 179 178.646 178.646 178.022 0.624 18942 6987 1 8 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.940 -1.865 18942 6988 1 8 . 1 1 179 179 LEU CB C 179 41.784 41.784 41.735 0.049 18942 6989 1 8 . 1 1 179 179 LEU H H 179 8.683 8.683 7.877 0.806 18942 6990 1 8 . 1 1 180 180 ALA N N 180 123.387 123.387 121.811 1.576 18942 6991 1 8 . 1 1 180 180 ALA C C 180 178.175 178.175 179.188 -1.013 18942 6992 1 8 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.291 1.666 18942 6993 1 8 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.764 1.557 18942 6994 1 8 . 1 1 180 180 ALA H H 180 7.627 7.627 9.028 -1.401 18942 6995 1 8 . 1 1 181 181 LEU N N 181 114.375 114.375 118.119 -3.744 18942 6996 1 8 . 1 1 181 181 LEU C C 181 178.681 178.681 178.674 0.007 18942 6997 1 8 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.417 0.715 18942 6998 1 8 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.420 -0.282 18942 6999 1 8 . 1 1 181 181 LEU H H 181 7.638 7.638 7.847 -0.209 18942 7000 1 8 . 1 1 182 182 VAL N N 182 113.683 113.683 118.434 -4.751 18942 7001 1 8 . 1 1 182 182 VAL C C 182 178.401 178.401 177.728 0.673 18942 7002 1 8 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.384 -1.209 18942 7003 1 8 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.387 0.588 18942 7004 1 8 . 1 1 182 182 VAL H H 182 7.448 7.448 7.555 -0.107 18942 7005 1 8 . 1 1 183 183 THR N N 183 116.081 116.081 117.588 -1.507 18942 7006 1 8 . 1 1 183 183 THR C C 183 176.701 176.701 176.734 -0.033 18942 7007 1 8 . 1 1 183 183 THR CA C 183 66.999 66.999 66.558 0.441 18942 7008 1 8 . 1 1 183 183 THR CB C 183 67.885 67.885 68.480 -0.595 18942 7009 1 8 . 1 1 183 183 THR H H 183 7.527 7.527 7.403 0.124 18942 7010 1 8 . 1 1 184 184 ILE N N 184 124.157 124.157 122.383 1.774 18942 7011 1 8 . 1 1 184 184 ILE C C 184 177.072 177.072 177.316 -0.244 18942 7012 1 8 . 1 1 184 184 ILE CA C 184 66.514 66.514 63.923 2.591 18942 7013 1 8 . 1 1 184 184 ILE CB C 184 38.229 38.229 36.924 1.305 18942 7014 1 8 . 1 1 184 184 ILE H H 184 8.406 8.406 7.933 0.473 18942 7015 1 8 . 1 1 185 185 VAL N N 185 115.165 115.165 120.227 -5.062 18942 7016 1 8 . 1 1 185 185 VAL C C 185 178.544 178.544 178.018 0.526 18942 7017 1 8 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.660 0.342 18942 7018 1 8 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.146 -0.140 18942 7019 1 8 . 1 1 185 185 VAL H H 185 7.429 7.429 7.692 -0.263 18942 7020 1 8 . 1 1 186 186 LYS N N 186 119.326 119.326 118.652 0.674 18942 7021 1 8 . 1 1 186 186 LYS C C 186 179.109 179.109 178.738 0.371 18942 7022 1 8 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.239 0.258 18942 7023 1 8 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.102 0.764 18942 7024 1 8 . 1 1 186 186 LYS H H 186 7.659 7.659 8.073 -0.414 18942 7025 1 8 . 1 1 187 187 THR N N 187 116.582 116.582 114.953 1.629 18942 7026 1 8 . 1 1 187 187 THR C C 187 177.056 177.056 176.994 0.062 18942 7027 1 8 . 1 1 187 187 THR CA C 187 66.358 66.358 65.566 0.792 18942 7028 1 8 . 1 1 187 187 THR CB C 187 69.105 69.105 69.317 -0.212 18942 7029 1 8 . 1 1 187 187 THR H H 187 8.377 8.377 7.587 0.790 18942 7030 1 8 . 1 1 188 188 LEU N N 188 121.469 121.469 121.267 0.202 18942 7031 1 8 . 1 1 188 188 LEU C C 188 178.177 178.177 178.013 0.164 18942 7032 1 8 . 1 1 188 188 LEU CA C 188 57.524 57.524 56.484 1.040 18942 7033 1 8 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.775 0.541 18942 7034 1 8 . 1 1 188 188 LEU H H 188 8.262 8.262 8.403 -0.141 18942 7035 1 8 . 1 1 189 189 GLY N N 189 104.655 104.655 104.987 -0.332 18942 7036 1 8 . 1 1 189 189 GLY C C 189 174.400 174.400 175.163 -0.763 18942 7037 1 8 . 1 1 189 189 GLY CA C 189 45.967 45.967 44.733 1.234 18942 7038 1 8 . 1 1 189 189 GLY H H 189 7.898 7.898 7.562 0.336 18942 7039 1 8 . 1 1 190 190 GLU N N 190 119.430 119.430 120.446 -1.016 18942 7040 1 8 . 1 1 190 190 GLU C C 190 176.344 176.344 177.500 -1.156 18942 7041 1 8 . 1 1 190 190 GLU CA C 190 56.871 56.871 55.629 1.242 18942 7042 1 8 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.608 0.045 18942 7043 1 8 . 1 1 190 190 GLU H H 190 7.630 7.630 7.471 0.159 18942 7044 1 8 . 1 1 191 191 ARG N N 191 121.191 121.191 119.391 1.800 18942 7045 1 8 . 1 1 191 191 ARG C C 191 175.205 175.205 176.347 -1.142 18942 7046 1 8 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.887 -1.826 18942 7047 1 8 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.607 0.249 18942 7048 1 8 . 1 1 191 191 ARG H H 191 8.126 8.126 8.681 -0.555 18942 7049 1 9 . 1 1 2 2 THR N N 2 115.468 115.468 121.986 -6.518 18942 7050 1 9 . 1 1 2 2 THR C C 2 174.211 174.211 172.933 1.278 18942 7051 1 9 . 1 1 2 2 THR CA C 2 61.939 61.939 62.454 -0.515 18942 7052 1 9 . 1 1 2 2 THR CB C 2 70.018 70.018 68.136 1.882 18942 7053 1 9 . 1 1 2 2 THR H H 2 8.002 8.002 8.522 -0.520 18942 7054 1 9 . 1 1 3 3 GLN N N 3 122.804 122.804 120.831 1.973 18942 7055 1 9 . 1 1 3 3 GLN C C 3 174.443 174.443 173.749 0.694 18942 7056 1 9 . 1 1 3 3 GLN CA C 3 56.560 56.560 54.653 1.907 18942 7057 1 9 . 1 1 3 3 GLN CB C 3 30.049 30.049 32.228 -2.179 18942 7058 1 9 . 1 1 3 3 GLN H H 3 8.225 8.225 7.986 0.239 18942 7059 1 9 . 1 1 4 4 LEU N N 4 120.941 120.941 115.247 5.694 18942 7060 1 9 . 1 1 4 4 LEU C C 4 174.867 174.867 174.923 -0.056 18942 7061 1 9 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.094 0.406 18942 7062 1 9 . 1 1 4 4 LEU CB C 4 47.427 47.427 46.010 1.417 18942 7063 1 9 . 1 1 4 4 LEU H H 4 6.832 6.832 8.671 -1.839 18942 7064 1 9 . 1 1 5 5 ASP N N 5 125.936 125.936 123.369 2.567 18942 7065 1 9 . 1 1 5 5 ASP C C 5 173.417 173.417 175.420 -2.003 18942 7066 1 9 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.701 -0.094 18942 7067 1 9 . 1 1 5 5 ASP CB C 5 42.393 42.393 41.428 0.965 18942 7068 1 9 . 1 1 5 5 ASP H H 5 8.760 8.760 8.215 0.545 18942 7069 1 9 . 1 1 6 6 ILE N N 6 122.489 122.489 125.090 -2.601 18942 7070 1 9 . 1 1 6 6 ILE CA C 6 60.118 60.118 60.092 0.026 18942 7071 1 9 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.145 -1.351 18942 7072 1 9 . 1 1 6 6 ILE H H 6 8.897 8.897 9.346 -0.449 18942 7073 1 9 . 1 1 7 7 VAL N N 7 124.979 124.979 126.790 -1.811 18942 7074 1 9 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.385 0.681 18942 7075 1 9 . 1 1 7 7 VAL CB C 7 34.162 34.162 34.964 -0.802 18942 7076 1 9 . 1 1 7 7 VAL H H 7 9.009 9.009 9.236 -0.227 18942 7077 1 9 . 1 1 8 8 ILE N N 8 127.861 127.861 128.698 -0.837 18942 7078 1 9 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.067 1.774 18942 7079 1 9 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.500 -0.484 18942 7080 1 9 . 1 1 8 8 ILE H H 8 8.758 8.758 9.223 -0.465 18942 7081 1 9 . 1 1 9 9 VAL N N 9 129.205 129.205 127.784 1.421 18942 7082 1 9 . 1 1 9 9 VAL C C 9 173.949 173.949 175.015 -1.066 18942 7083 1 9 . 1 1 9 9 VAL CA C 9 61.475 61.475 60.894 0.581 18942 7084 1 9 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.878 -0.482 18942 7085 1 9 . 1 1 9 9 VAL H H 9 9.713 9.713 9.140 0.573 18942 7086 1 9 . 1 1 10 10 LEU N N 10 123.753 123.753 127.716 -3.963 18942 7087 1 9 . 1 1 10 10 LEU C C 10 174.175 174.175 175.460 -1.285 18942 7088 1 9 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.805 0.921 18942 7089 1 9 . 1 1 10 10 LEU CB C 10 44.609 44.609 44.079 0.530 18942 7090 1 9 . 1 1 10 10 LEU H H 10 9.261 9.261 9.206 0.055 18942 7091 1 9 . 1 1 11 11 ASP N N 11 125.333 125.333 120.392 4.941 18942 7092 1 9 . 1 1 11 11 ASP C C 11 174.405 174.405 176.166 -1.761 18942 7093 1 9 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.334 1.219 18942 7094 1 9 . 1 1 11 11 ASP CB C 11 41.590 41.590 43.507 -1.917 18942 7095 1 9 . 1 1 11 11 ASP H H 11 7.867 7.867 8.518 -0.651 18942 7096 1 9 . 1 1 12 12 GLY N N 12 113.584 113.584 110.313 3.271 18942 7097 1 9 . 1 1 12 12 GLY C C 12 176.010 176.010 173.976 2.034 18942 7098 1 9 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.609 0.105 18942 7099 1 9 . 1 1 12 12 GLY H H 12 8.825 8.825 8.148 0.677 18942 7100 1 9 . 1 1 13 13 SER N N 13 114.408 114.408 116.755 -2.347 18942 7101 1 9 . 1 1 13 13 SER C C 13 173.728 173.728 175.322 -1.594 18942 7102 1 9 . 1 1 13 13 SER CA C 13 58.607 58.607 57.375 1.232 18942 7103 1 9 . 1 1 13 13 SER CB C 13 64.366 64.366 64.540 -0.174 18942 7104 1 9 . 1 1 13 13 SER H H 13 8.668 8.668 8.747 -0.079 18942 7105 1 9 . 1 1 14 14 ASN N N 14 117.122 117.122 120.459 -3.337 18942 7106 1 9 . 1 1 14 14 ASN C C 14 175.323 175.323 174.573 0.750 18942 7107 1 9 . 1 1 14 14 ASN CA C 14 55.132 55.132 53.627 1.505 18942 7108 1 9 . 1 1 14 14 ASN CB C 14 37.735 37.735 37.212 0.523 18942 7109 1 9 . 1 1 14 14 ASN H H 14 8.800 8.800 8.470 0.330 18942 7110 1 9 . 1 1 15 15 SER N N 15 109.840 109.840 113.590 -3.750 18942 7111 1 9 . 1 1 15 15 SER C C 15 175.252 175.252 173.513 1.739 18942 7112 1 9 . 1 1 15 15 SER CA C 15 60.352 60.352 58.311 2.041 18942 7113 1 9 . 1 1 15 15 SER CB C 15 62.281 62.281 64.805 -2.524 18942 7114 1 9 . 1 1 15 15 SER H H 15 8.949 8.949 8.153 0.796 18942 7115 1 9 . 1 1 16 16 ILE N N 16 125.955 125.955 117.214 8.741 18942 7116 1 9 . 1 1 16 16 ILE C C 16 175.772 175.772 174.548 1.224 18942 7117 1 9 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.139 -0.721 18942 7118 1 9 . 1 1 16 16 ILE CB C 16 34.858 34.858 39.515 -4.657 18942 7119 1 9 . 1 1 16 16 ILE H H 16 7.463 7.463 7.251 0.212 18942 7120 1 9 . 1 1 17 17 TYR N N 17 125.148 125.148 118.812 6.336 18942 7121 1 9 . 1 1 17 17 TYR CA C 17 55.534 55.534 55.172 0.362 18942 7122 1 9 . 1 1 17 17 TYR CB C 17 42.633 42.633 38.376 4.257 18942 7123 1 9 . 1 1 17 17 TYR H H 17 8.097 8.097 8.279 -0.182 18942 7124 1 9 . 1 1 18 18 PRO C C 18 177.356 177.356 177.331 0.025 18942 7125 1 9 . 1 1 18 18 PRO CA C 18 62.705 62.705 62.264 0.441 18942 7126 1 9 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.610 0.360 18942 7127 1 9 . 1 1 19 19 TRP N N 19 125.777 125.777 120.529 5.248 18942 7128 1 9 . 1 1 19 19 TRP C C 19 177.067 177.067 177.156 -0.089 18942 7129 1 9 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.142 0.504 18942 7130 1 9 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.931 -0.241 18942 7131 1 9 . 1 1 19 19 TRP H H 19 9.064 9.064 8.946 0.118 18942 7132 1 9 . 1 1 20 20 ASP N N 20 112.639 112.639 118.880 -6.241 18942 7133 1 9 . 1 1 20 20 ASP C C 20 178.681 178.681 178.209 0.472 18942 7134 1 9 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.050 -0.836 18942 7135 1 9 . 1 1 20 20 ASP CB C 20 40.384 40.384 39.269 1.115 18942 7136 1 9 . 1 1 20 20 ASP H H 20 8.476 8.476 8.657 -0.181 18942 7137 1 9 . 1 1 21 21 SER N N 21 113.464 113.464 116.163 -2.699 18942 7138 1 9 . 1 1 21 21 SER C C 21 176.264 176.264 176.465 -0.201 18942 7139 1 9 . 1 1 21 21 SER CA C 21 61.853 61.853 61.342 0.512 18942 7140 1 9 . 1 1 21 21 SER CB C 21 63.207 63.207 63.152 0.055 18942 7141 1 9 . 1 1 21 21 SER H H 21 7.436 7.436 7.598 -0.162 18942 7142 1 9 . 1 1 22 22 VAL N N 22 123.136 123.136 121.933 1.203 18942 7143 1 9 . 1 1 22 22 VAL C C 22 177.581 177.581 177.237 0.344 18942 7144 1 9 . 1 1 22 22 VAL CA C 22 66.778 66.778 66.369 0.409 18942 7145 1 9 . 1 1 22 22 VAL CB C 22 30.884 30.884 30.898 -0.014 18942 7146 1 9 . 1 1 22 22 VAL H H 22 7.130 7.130 7.072 0.058 18942 7147 1 9 . 1 1 23 23 THR N N 23 110.025 110.025 112.816 -2.791 18942 7148 1 9 . 1 1 23 23 THR C C 23 177.587 177.587 176.292 1.295 18942 7149 1 9 . 1 1 23 23 THR CA C 23 66.080 66.080 65.930 0.150 18942 7150 1 9 . 1 1 23 23 THR CB C 23 68.089 68.089 68.376 -0.287 18942 7151 1 9 . 1 1 23 23 THR H H 23 7.637 7.637 8.208 -0.571 18942 7152 1 9 . 1 1 24 24 ALA N N 24 123.457 123.457 124.689 -1.232 18942 7153 1 9 . 1 1 24 24 ALA C C 24 178.927 178.927 179.372 -0.445 18942 7154 1 9 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.888 0.576 18942 7155 1 9 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.034 0.457 18942 7156 1 9 . 1 1 24 24 ALA H H 24 7.768 7.768 7.723 0.045 18942 7157 1 9 . 1 1 25 25 PHE N N 25 118.072 118.072 119.541 -1.469 18942 7158 1 9 . 1 1 25 25 PHE CA C 25 61.317 61.317 60.453 0.865 18942 7159 1 9 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.233 -0.295 18942 7160 1 9 . 1 1 25 25 PHE H H 25 7.064 7.064 7.789 -0.725 18942 7161 1 9 . 1 1 26 26 LEU N N 26 115.251 115.251 119.943 -4.692 18942 7162 1 9 . 1 1 26 26 LEU CA C 26 57.703 57.703 58.035 -0.332 18942 7163 1 9 . 1 1 26 26 LEU CB C 26 42.305 42.305 41.183 1.122 18942 7164 1 9 . 1 1 26 26 LEU H H 26 8.016 8.016 8.362 -0.346 18942 7165 1 9 . 1 1 27 27 ASN N N 27 114.759 114.759 118.226 -3.467 18942 7166 1 9 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.731 0.792 18942 7167 1 9 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.326 2.383 18942 7168 1 9 . 1 1 27 27 ASN H H 27 7.842 7.842 8.519 -0.677 18942 7169 1 9 . 1 1 28 28 ASP N N 28 116.899 116.899 120.240 -3.341 18942 7170 1 9 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.321 -0.712 18942 7171 1 9 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.829 -0.391 18942 7172 1 9 . 1 1 28 28 ASP H H 28 7.802 7.802 7.738 0.064 18942 7173 1 9 . 1 1 29 29 LEU N N 29 118.230 118.230 122.700 -4.470 18942 7174 1 9 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.929 -0.105 18942 7175 1 9 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.649 0.364 18942 7176 1 9 . 1 1 29 29 LEU H H 29 7.970 7.970 7.750 0.220 18942 7177 1 9 . 1 1 30 30 LEU N N 30 114.781 114.781 118.050 -3.269 18942 7178 1 9 . 1 1 30 30 LEU C C 30 178.917 178.917 179.426 -0.509 18942 7179 1 9 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.084 0.609 18942 7180 1 9 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.171 1.373 18942 7181 1 9 . 1 1 30 30 LEU H H 30 8.000 8.000 8.207 -0.207 18942 7182 1 9 . 1 1 31 31 GLU N N 31 113.705 113.705 117.595 -3.890 18942 7183 1 9 . 1 1 31 31 GLU C C 31 177.554 177.554 177.858 -0.304 18942 7184 1 9 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.789 -0.344 18942 7185 1 9 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.676 -0.252 18942 7186 1 9 . 1 1 31 31 GLU H H 31 7.880 7.880 7.782 0.098 18942 7187 1 9 . 1 1 32 32 ARG N N 32 114.470 114.470 116.987 -2.517 18942 7188 1 9 . 1 1 32 32 ARG C C 32 175.851 175.851 177.087 -1.236 18942 7189 1 9 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.717 -1.168 18942 7190 1 9 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.865 -0.279 18942 7191 1 9 . 1 1 32 32 ARG H H 32 7.014 7.014 7.334 -0.320 18942 7192 1 9 . 1 1 33 33 MET N N 33 116.853 116.853 119.729 -2.876 18942 7193 1 9 . 1 1 33 33 MET C C 33 174.809 174.809 174.817 -0.008 18942 7194 1 9 . 1 1 33 33 MET CA C 33 54.694 54.694 55.871 -1.177 18942 7195 1 9 . 1 1 33 33 MET CB C 33 35.436 35.436 33.561 1.875 18942 7196 1 9 . 1 1 33 33 MET H H 33 7.528 7.528 7.350 0.178 18942 7197 1 9 . 1 1 34 34 ASP N N 34 123.345 123.345 124.416 -1.071 18942 7198 1 9 . 1 1 34 34 ASP C C 34 173.878 173.878 174.898 -1.020 18942 7199 1 9 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.349 -1.177 18942 7200 1 9 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.633 0.258 18942 7201 1 9 . 1 1 34 34 ASP H H 34 8.784 8.784 8.771 0.013 18942 7202 1 9 . 1 1 35 35 ILE N N 35 123.293 123.293 125.417 -2.124 18942 7203 1 9 . 1 1 35 35 ILE C C 35 176.589 176.589 175.144 1.445 18942 7204 1 9 . 1 1 35 35 ILE CA C 35 58.830 58.830 59.943 -1.113 18942 7205 1 9 . 1 1 35 35 ILE CB C 35 38.073 38.073 38.055 0.018 18942 7206 1 9 . 1 1 35 35 ILE H H 35 7.188 7.188 7.614 -0.426 18942 7207 1 9 . 1 1 36 36 GLY N N 36 112.822 112.822 113.266 -0.444 18942 7208 1 9 . 1 1 36 36 GLY CA C 36 45.744 45.744 45.983 -0.239 18942 7209 1 9 . 1 1 36 36 GLY H H 36 8.748 8.748 8.694 0.054 18942 7210 1 9 . 1 1 37 37 PRO C C 37 178.427 178.427 176.922 1.505 18942 7211 1 9 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.778 0.071 18942 7212 1 9 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.243 -0.041 18942 7213 1 9 . 1 1 38 38 LYS N N 38 116.281 116.281 113.878 2.403 18942 7214 1 9 . 1 1 38 38 LYS C C 38 176.306 176.306 175.045 1.261 18942 7215 1 9 . 1 1 38 38 LYS CA C 38 54.664 54.664 55.776 -1.112 18942 7216 1 9 . 1 1 38 38 LYS CB C 38 32.645 32.645 31.939 0.706 18942 7217 1 9 . 1 1 38 38 LYS H H 38 8.262 8.262 7.994 0.268 18942 7218 1 9 . 1 1 39 39 GLN N N 39 121.587 121.587 118.882 2.705 18942 7219 1 9 . 1 1 39 39 GLN C C 39 176.105 176.105 175.250 0.855 18942 7220 1 9 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.462 0.986 18942 7221 1 9 . 1 1 39 39 GLN CB C 39 29.540 29.540 31.839 -2.299 18942 7222 1 9 . 1 1 39 39 GLN H H 39 7.680 7.680 7.714 -0.034 18942 7223 1 9 . 1 1 40 40 THR N N 40 124.944 124.944 113.727 11.217 18942 7224 1 9 . 1 1 40 40 THR C C 40 172.592 172.592 173.679 -1.087 18942 7225 1 9 . 1 1 40 40 THR CA C 40 63.650 63.650 62.808 0.842 18942 7226 1 9 . 1 1 40 40 THR CB C 40 69.597 69.597 67.503 2.094 18942 7227 1 9 . 1 1 40 40 THR H H 40 8.525 8.525 8.654 -0.129 18942 7228 1 9 . 1 1 41 41 GLN N N 41 122.782 122.782 123.769 -0.987 18942 7229 1 9 . 1 1 41 41 GLN C C 41 174.312 174.312 174.929 -0.617 18942 7230 1 9 . 1 1 41 41 GLN CA C 41 55.149 55.149 56.038 -0.889 18942 7231 1 9 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.881 4.045 18942 7232 1 9 . 1 1 41 41 GLN H H 41 8.821 8.821 8.185 0.636 18942 7233 1 9 . 1 1 42 42 VAL N N 42 118.560 118.560 125.361 -6.801 18942 7234 1 9 . 1 1 42 42 VAL C C 42 173.505 173.505 175.466 -1.961 18942 7235 1 9 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.619 -0.614 18942 7236 1 9 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.414 2.421 18942 7237 1 9 . 1 1 42 42 VAL H H 42 8.135 8.135 8.629 -0.494 18942 7238 1 9 . 1 1 43 43 GLY N N 43 110.800 110.800 114.147 -3.347 18942 7239 1 9 . 1 1 43 43 GLY C C 43 172.196 172.196 172.431 -0.235 18942 7240 1 9 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.083 0.207 18942 7241 1 9 . 1 1 43 43 GLY H H 43 8.606 8.606 8.929 -0.323 18942 7242 1 9 . 1 1 44 44 ILE N N 44 115.225 115.225 124.114 -8.889 18942 7243 1 9 . 1 1 44 44 ILE C C 44 174.136 174.136 175.137 -1.001 18942 7244 1 9 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.889 -0.043 18942 7245 1 9 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.883 1.369 18942 7246 1 9 . 1 1 44 44 ILE H H 44 7.361 7.361 8.405 -1.044 18942 7247 1 9 . 1 1 45 45 VAL N N 45 126.880 126.880 126.100 0.780 18942 7248 1 9 . 1 1 45 45 VAL C C 45 173.113 173.113 174.222 -1.109 18942 7249 1 9 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.486 -0.654 18942 7250 1 9 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.144 0.591 18942 7251 1 9 . 1 1 45 45 VAL H H 45 9.245 9.245 9.147 0.098 18942 7252 1 9 . 1 1 46 46 GLN N N 46 124.650 124.650 124.759 -0.109 18942 7253 1 9 . 1 1 46 46 GLN C C 46 173.879 173.879 174.873 -0.994 18942 7254 1 9 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.372 0.387 18942 7255 1 9 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.033 0.452 18942 7256 1 9 . 1 1 46 46 GLN H H 46 9.333 9.333 8.656 0.677 18942 7257 1 9 . 1 1 47 47 TYR N N 47 123.588 123.588 118.908 4.680 18942 7258 1 9 . 1 1 47 47 TYR C C 47 172.762 172.762 174.140 -1.378 18942 7259 1 9 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.596 -0.177 18942 7260 1 9 . 1 1 47 47 TYR CB C 47 44.504 44.504 42.358 2.146 18942 7261 1 9 . 1 1 47 47 TYR H H 47 9.300 9.300 9.043 0.257 18942 7262 1 9 . 1 1 48 48 GLY N N 48 107.867 107.867 108.891 -1.024 18942 7263 1 9 . 1 1 48 48 GLY C C 48 172.936 172.936 173.618 -0.682 18942 7264 1 9 . 1 1 48 48 GLY CA C 48 48.040 48.040 46.271 1.769 18942 7265 1 9 . 1 1 48 48 GLY H H 48 7.894 7.894 8.151 -0.257 18942 7266 1 9 . 1 1 49 49 GLU N N 49 127.160 127.160 120.265 6.895 18942 7267 1 9 . 1 1 49 49 GLU C C 49 174.960 174.960 176.176 -1.216 18942 7268 1 9 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.140 0.114 18942 7269 1 9 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.767 1.176 18942 7270 1 9 . 1 1 49 49 GLU H H 49 9.355 9.355 8.606 0.749 18942 7271 1 9 . 1 1 50 50 ASN N N 50 112.730 112.730 115.704 -2.974 18942 7272 1 9 . 1 1 50 50 ASN C C 50 174.229 174.229 172.881 1.348 18942 7273 1 9 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.351 -1.545 18942 7274 1 9 . 1 1 50 50 ASN CB C 50 41.127 41.127 41.271 -0.144 18942 7275 1 9 . 1 1 50 50 ASN H H 50 7.494 7.494 7.715 -0.221 18942 7276 1 9 . 1 1 51 51 VAL N N 51 118.965 118.965 120.297 -1.332 18942 7277 1 9 . 1 1 51 51 VAL C C 51 174.904 174.904 175.447 -0.543 18942 7278 1 9 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.652 1.078 18942 7279 1 9 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.505 0.529 18942 7280 1 9 . 1 1 51 51 VAL H H 51 8.647 8.647 8.543 0.104 18942 7281 1 9 . 1 1 52 52 THR N N 52 122.865 122.865 123.013 -0.148 18942 7282 1 9 . 1 1 52 52 THR C C 52 173.383 173.383 173.227 0.156 18942 7283 1 9 . 1 1 52 52 THR CA C 52 61.809 61.809 61.029 0.780 18942 7284 1 9 . 1 1 52 52 THR CB C 52 71.943 71.943 70.339 1.604 18942 7285 1 9 . 1 1 52 52 THR H H 52 9.183 9.183 9.217 -0.035 18942 7286 1 9 . 1 1 53 53 HIS N N 53 126.441 126.441 122.373 4.068 18942 7287 1 9 . 1 1 53 53 HIS C C 53 175.728 175.728 174.274 1.454 18942 7288 1 9 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.120 3.042 18942 7289 1 9 . 1 1 53 53 HIS CB C 53 31.084 31.084 30.014 1.070 18942 7290 1 9 . 1 1 53 53 HIS H H 53 8.995 8.995 8.207 0.788 18942 7291 1 9 . 1 1 54 54 GLU N N 54 126.720 126.720 124.379 2.341 18942 7292 1 9 . 1 1 54 54 GLU C C 54 178.106 178.106 175.692 2.414 18942 7293 1 9 . 1 1 54 54 GLU CA C 54 57.886 57.886 57.600 0.286 18942 7294 1 9 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.304 -1.734 18942 7295 1 9 . 1 1 54 54 GLU H H 54 8.901 8.901 8.906 -0.005 18942 7296 1 9 . 1 1 55 55 PHE N N 55 106.460 106.460 117.840 -11.380 18942 7297 1 9 . 1 1 55 55 PHE C C 55 174.320 174.320 176.036 -1.716 18942 7298 1 9 . 1 1 55 55 PHE CA C 55 57.044 57.044 56.567 0.477 18942 7299 1 9 . 1 1 55 55 PHE CB C 55 40.763 40.763 40.916 -0.153 18942 7300 1 9 . 1 1 55 55 PHE H H 55 7.351 7.351 8.275 -0.924 18942 7301 1 9 . 1 1 56 56 ASN N N 56 119.296 119.296 119.186 0.110 18942 7302 1 9 . 1 1 56 56 ASN CA C 56 52.079 52.079 53.180 -1.101 18942 7303 1 9 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.214 0.491 18942 7304 1 9 . 1 1 56 56 ASN H H 56 8.378 8.378 8.561 -0.183 18942 7305 1 9 . 1 1 57 57 LEU C C 57 175.843 175.843 178.041 -2.198 18942 7306 1 9 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.602 0.896 18942 7307 1 9 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.993 1.001 18942 7308 1 9 . 1 1 58 58 ASN N N 58 108.256 108.256 114.906 -6.650 18942 7309 1 9 . 1 1 58 58 ASN C C 58 177.051 177.051 174.356 2.695 18942 7310 1 9 . 1 1 58 58 ASN CA C 58 50.879 50.879 52.191 -1.312 18942 7311 1 9 . 1 1 58 58 ASN CB C 58 38.911 38.911 37.490 1.421 18942 7312 1 9 . 1 1 58 58 ASN H H 58 7.345 7.345 7.860 -0.515 18942 7313 1 9 . 1 1 59 59 LYS N N 59 121.550 121.550 120.939 0.611 18942 7314 1 9 . 1 1 59 59 LYS C C 59 176.380 176.380 176.395 -0.015 18942 7315 1 9 . 1 1 59 59 LYS CA C 59 59.241 59.241 55.812 3.429 18942 7316 1 9 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.942 -0.079 18942 7317 1 9 . 1 1 59 59 LYS H H 59 7.793 7.793 7.259 0.534 18942 7318 1 9 . 1 1 60 60 TYR N N 60 115.388 115.388 114.791 0.597 18942 7319 1 9 . 1 1 60 60 TYR C C 60 176.551 176.551 175.435 1.116 18942 7320 1 9 . 1 1 60 60 TYR CA C 60 56.785 56.785 56.334 0.451 18942 7321 1 9 . 1 1 60 60 TYR CB C 60 40.587 40.587 39.859 0.728 18942 7322 1 9 . 1 1 60 60 TYR H H 60 8.838 8.838 7.298 1.540 18942 7323 1 9 . 1 1 61 61 SER N N 61 113.454 113.454 113.583 -0.129 18942 7324 1 9 . 1 1 61 61 SER C C 61 172.093 172.093 174.006 -1.913 18942 7325 1 9 . 1 1 61 61 SER CA C 61 57.686 57.686 58.440 -0.754 18942 7326 1 9 . 1 1 61 61 SER CB C 61 64.641 64.641 65.652 -1.011 18942 7327 1 9 . 1 1 61 61 SER H H 61 8.869 8.869 9.806 -0.937 18942 7328 1 9 . 1 1 62 62 SER N N 62 110.923 110.923 117.178 -6.255 18942 7329 1 9 . 1 1 62 62 SER C C 62 174.355 174.355 175.037 -0.682 18942 7330 1 9 . 1 1 62 62 SER CA C 62 56.928 56.928 56.637 0.291 18942 7331 1 9 . 1 1 62 62 SER CB C 62 67.154 67.154 65.717 1.437 18942 7332 1 9 . 1 1 62 62 SER H H 62 7.236 7.236 8.600 -1.364 18942 7333 1 9 . 1 1 63 63 THR N N 63 120.405 120.405 119.612 0.793 18942 7334 1 9 . 1 1 63 63 THR C C 63 175.543 175.543 176.155 -0.612 18942 7335 1 9 . 1 1 63 63 THR CA C 63 69.245 69.245 67.788 1.457 18942 7336 1 9 . 1 1 63 63 THR CB C 63 67.203 67.203 68.613 -1.410 18942 7337 1 9 . 1 1 63 63 THR H H 63 9.263 9.263 8.649 0.614 18942 7338 1 9 . 1 1 64 64 GLU N N 64 119.002 119.002 122.124 -3.122 18942 7339 1 9 . 1 1 64 64 GLU C C 64 178.754 178.754 178.578 0.176 18942 7340 1 9 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.995 0.442 18942 7341 1 9 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.180 0.286 18942 7342 1 9 . 1 1 64 64 GLU H H 64 8.873 8.873 8.765 0.108 18942 7343 1 9 . 1 1 65 65 GLU N N 65 114.467 114.467 119.040 -4.573 18942 7344 1 9 . 1 1 65 65 GLU CA C 65 59.051 59.051 58.968 0.083 18942 7345 1 9 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.562 1.776 18942 7346 1 9 . 1 1 65 65 GLU H H 65 7.299 7.299 7.724 -0.425 18942 7347 1 9 . 1 1 66 66 VAL N N 66 118.486 118.486 119.617 -1.131 18942 7348 1 9 . 1 1 66 66 VAL C C 66 176.723 176.723 177.906 -1.183 18942 7349 1 9 . 1 1 66 66 VAL CA C 66 66.018 66.018 65.859 0.159 18942 7350 1 9 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.248 0.287 18942 7351 1 9 . 1 1 66 66 VAL H H 66 7.361 7.361 7.345 0.016 18942 7352 1 9 . 1 1 67 67 LEU N N 67 119.314 119.314 121.092 -1.778 18942 7353 1 9 . 1 1 67 67 LEU C C 67 180.087 180.087 178.420 1.667 18942 7354 1 9 . 1 1 67 67 LEU CA C 67 58.000 58.000 57.687 0.313 18942 7355 1 9 . 1 1 67 67 LEU CB C 67 41.941 41.941 41.481 0.460 18942 7356 1 9 . 1 1 67 67 LEU H H 67 8.154 8.154 8.306 -0.152 18942 7357 1 9 . 1 1 68 68 VAL N N 68 117.110 117.110 119.038 -1.928 18942 7358 1 9 . 1 1 68 68 VAL C C 68 179.736 179.736 177.820 1.916 18942 7359 1 9 . 1 1 68 68 VAL CA C 68 66.193 66.193 66.967 -0.774 18942 7360 1 9 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.392 0.804 18942 7361 1 9 . 1 1 68 68 VAL H H 68 7.110 7.110 8.330 -1.220 18942 7362 1 9 . 1 1 69 69 ALA N N 69 119.661 119.661 121.112 -1.451 18942 7363 1 9 . 1 1 69 69 ALA C C 69 181.653 181.653 179.232 2.421 18942 7364 1 9 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.998 0.082 18942 7365 1 9 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.725 2.355 18942 7366 1 9 . 1 1 69 69 ALA H H 69 6.970 6.970 8.004 -1.034 18942 7367 1 9 . 1 1 70 70 ALA N N 70 120.071 120.071 121.309 -1.238 18942 7368 1 9 . 1 1 70 70 ALA C C 70 178.758 178.758 179.071 -0.313 18942 7369 1 9 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.356 -0.253 18942 7370 1 9 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.704 -0.607 18942 7371 1 9 . 1 1 70 70 ALA H H 70 8.881 8.881 8.160 0.721 18942 7372 1 9 . 1 1 71 71 LYS N N 71 112.889 112.889 116.661 -3.772 18942 7373 1 9 . 1 1 71 71 LYS C C 71 177.551 177.551 178.189 -0.638 18942 7374 1 9 . 1 1 71 71 LYS CA C 71 58.190 58.190 58.123 0.067 18942 7375 1 9 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.266 0.571 18942 7376 1 9 . 1 1 71 71 LYS H H 71 7.124 7.124 8.039 -0.915 18942 7377 1 9 . 1 1 72 72 LYS N N 72 114.633 114.633 120.608 -5.975 18942 7378 1 9 . 1 1 72 72 LYS C C 72 176.789 176.789 177.263 -0.474 18942 7379 1 9 . 1 1 72 72 LYS CA C 72 55.865 55.865 58.006 -2.141 18942 7380 1 9 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.548 -0.141 18942 7381 1 9 . 1 1 72 72 LYS H H 72 7.150 7.150 7.606 -0.456 18942 7382 1 9 . 1 1 73 73 ILE N N 73 120.045 120.045 122.552 -2.507 18942 7383 1 9 . 1 1 73 73 ILE C C 73 176.494 176.494 174.822 1.672 18942 7384 1 9 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.938 1.091 18942 7385 1 9 . 1 1 73 73 ILE CB C 73 37.347 37.347 36.730 0.617 18942 7386 1 9 . 1 1 73 73 ILE H H 73 7.164 7.164 8.185 -1.021 18942 7387 1 9 . 1 1 74 74 VAL N N 74 126.199 126.199 122.232 3.967 18942 7388 1 9 . 1 1 74 74 VAL C C 74 174.021 174.021 174.040 -0.019 18942 7389 1 9 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.385 0.262 18942 7390 1 9 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.578 0.395 18942 7391 1 9 . 1 1 74 74 VAL H H 74 8.174 8.174 7.558 0.616 18942 7392 1 9 . 1 1 75 75 GLN N N 75 123.009 123.009 124.614 -1.605 18942 7393 1 9 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.989 0.489 18942 7394 1 9 . 1 1 75 75 GLN CB C 75 27.131 27.131 28.983 -1.851 18942 7395 1 9 . 1 1 75 75 GLN H H 75 7.569 7.569 6.674 0.895 18942 7396 1 9 . 1 1 76 76 ARG N N 76 129.740 129.740 123.468 6.272 18942 7397 1 9 . 1 1 76 76 ARG C C 76 178.628 178.628 176.198 2.430 18942 7398 1 9 . 1 1 76 76 ARG CA C 76 57.917 57.917 56.417 1.500 18942 7399 1 9 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.653 -0.874 18942 7400 1 9 . 1 1 76 76 ARG H H 76 9.670 9.670 8.673 0.997 18942 7401 1 9 . 1 1 77 77 GLY N N 77 106.443 106.443 105.260 1.183 18942 7402 1 9 . 1 1 77 77 GLY C C 77 174.221 174.221 172.466 1.755 18942 7403 1 9 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.841 0.075 18942 7404 1 9 . 1 1 77 77 GLY H H 77 7.360 7.360 7.505 -0.145 18942 7405 1 9 . 1 1 78 78 GLY N N 78 103.622 103.622 105.574 -1.952 18942 7406 1 9 . 1 1 78 78 GLY C C 78 172.710 172.710 174.535 -1.825 18942 7407 1 9 . 1 1 78 78 GLY CA C 78 46.986 46.986 44.726 2.260 18942 7408 1 9 . 1 1 78 78 GLY H H 78 7.851 7.851 8.008 -0.158 18942 7409 1 9 . 1 1 79 79 ARG N N 79 124.452 124.452 122.351 2.101 18942 7410 1 9 . 1 1 79 79 ARG C C 79 174.484 174.484 176.693 -2.209 18942 7411 1 9 . 1 1 79 79 ARG CA C 79 57.437 57.437 57.879 -0.442 18942 7412 1 9 . 1 1 79 79 ARG CB C 79 30.338 30.338 30.347 -0.009 18942 7413 1 9 . 1 1 79 79 ARG H H 79 9.952 9.952 8.588 1.364 18942 7414 1 9 . 1 1 80 80 GLN N N 80 113.887 113.887 115.590 -1.703 18942 7415 1 9 . 1 1 80 80 GLN C C 80 173.824 173.824 174.062 -0.238 18942 7416 1 9 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.759 0.282 18942 7417 1 9 . 1 1 80 80 GLN CB C 80 35.655 35.655 32.363 3.292 18942 7418 1 9 . 1 1 80 80 GLN H H 80 7.411 7.411 7.931 -0.519 18942 7419 1 9 . 1 1 81 81 THR N N 81 117.791 117.791 116.239 1.552 18942 7420 1 9 . 1 1 81 81 THR C C 81 175.393 175.393 172.884 2.509 18942 7421 1 9 . 1 1 81 81 THR CA C 81 62.222 62.222 61.595 0.627 18942 7422 1 9 . 1 1 81 81 THR CB C 81 71.140 71.140 69.817 1.323 18942 7423 1 9 . 1 1 81 81 THR H H 81 11.198 11.198 8.338 2.860 18942 7424 1 9 . 1 1 82 82 MET N N 82 128.338 128.338 127.840 0.498 18942 7425 1 9 . 1 1 82 82 MET C C 82 175.011 175.011 176.993 -1.982 18942 7426 1 9 . 1 1 82 82 MET CA C 82 52.078 52.078 54.231 -2.153 18942 7427 1 9 . 1 1 82 82 MET CB C 82 29.146 29.146 33.987 -4.841 18942 7428 1 9 . 1 1 82 82 MET H H 82 8.679 8.679 8.933 -0.254 18942 7429 1 9 . 1 1 83 83 THR N N 83 120.032 120.032 119.438 0.594 18942 7430 1 9 . 1 1 83 83 THR C C 83 175.014 175.014 176.126 -1.112 18942 7431 1 9 . 1 1 83 83 THR CA C 83 65.627 65.627 65.482 0.145 18942 7432 1 9 . 1 1 83 83 THR CB C 83 69.254 69.254 68.807 0.447 18942 7433 1 9 . 1 1 83 83 THR H H 83 6.986 6.986 8.768 -1.782 18942 7434 1 9 . 1 1 84 84 ALA N N 84 126.207 126.207 123.345 2.862 18942 7435 1 9 . 1 1 84 84 ALA C C 84 179.500 179.500 179.135 0.365 18942 7436 1 9 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.598 1.471 18942 7437 1 9 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.082 -1.352 18942 7438 1 9 . 1 1 84 84 ALA H H 84 10.069 10.069 8.360 1.709 18942 7439 1 9 . 1 1 85 85 LEU N N 85 119.501 119.501 118.303 1.198 18942 7440 1 9 . 1 1 85 85 LEU C C 85 181.098 181.098 179.160 1.938 18942 7441 1 9 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.216 0.690 18942 7442 1 9 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.574 0.194 18942 7443 1 9 . 1 1 85 85 LEU H H 85 8.166 8.166 7.759 0.407 18942 7444 1 9 . 1 1 86 86 GLY N N 86 110.546 110.546 107.519 3.027 18942 7445 1 9 . 1 1 86 86 GLY C C 86 174.135 174.135 176.152 -2.017 18942 7446 1 9 . 1 1 86 86 GLY CA C 86 47.323 47.323 46.843 0.480 18942 7447 1 9 . 1 1 86 86 GLY H H 86 8.720 8.720 7.534 1.186 18942 7448 1 9 . 1 1 87 87 ILE N N 87 120.213 120.213 121.511 -1.298 18942 7449 1 9 . 1 1 87 87 ILE C C 87 177.503 177.503 177.445 0.058 18942 7450 1 9 . 1 1 87 87 ILE CA C 87 66.253 66.253 63.006 3.247 18942 7451 1 9 . 1 1 87 87 ILE CB C 87 38.911 38.911 36.675 2.236 18942 7452 1 9 . 1 1 87 87 ILE H H 87 8.141 8.141 7.525 0.616 18942 7453 1 9 . 1 1 88 88 ASP N N 88 118.326 118.326 120.137 -1.811 18942 7454 1 9 . 1 1 88 88 ASP C C 88 178.751 178.751 178.654 0.097 18942 7455 1 9 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.636 -0.067 18942 7456 1 9 . 1 1 88 88 ASP CB C 88 43.248 43.248 41.002 2.246 18942 7457 1 9 . 1 1 88 88 ASP H H 88 8.512 8.512 8.615 -0.103 18942 7458 1 9 . 1 1 89 89 THR N N 89 112.028 112.028 116.618 -4.590 18942 7459 1 9 . 1 1 89 89 THR C C 89 176.400 176.400 176.009 0.391 18942 7460 1 9 . 1 1 89 89 THR CA C 89 68.345 68.345 65.963 2.382 18942 7461 1 9 . 1 1 89 89 THR CB C 89 67.082 67.082 69.009 -1.927 18942 7462 1 9 . 1 1 89 89 THR H H 89 8.470 8.470 7.860 0.610 18942 7463 1 9 . 1 1 90 90 ALA N N 90 124.209 124.209 124.577 -0.368 18942 7464 1 9 . 1 1 90 90 ALA C C 90 178.756 178.756 178.750 0.006 18942 7465 1 9 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.166 0.850 18942 7466 1 9 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.239 0.770 18942 7467 1 9 . 1 1 90 90 ALA H H 90 8.159 8.159 8.184 -0.025 18942 7468 1 9 . 1 1 91 91 ARG N N 91 116.481 116.481 115.538 0.943 18942 7469 1 9 . 1 1 91 91 ARG C C 91 177.990 177.990 177.970 0.020 18942 7470 1 9 . 1 1 91 91 ARG CA C 91 60.729 60.729 59.165 1.564 18942 7471 1 9 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.083 -0.165 18942 7472 1 9 . 1 1 91 91 ARG H H 91 8.479 8.479 7.969 0.510 18942 7473 1 9 . 1 1 92 92 LYS N N 92 113.675 113.675 118.071 -4.396 18942 7474 1 9 . 1 1 92 92 LYS C C 92 178.208 178.208 177.629 0.579 18942 7475 1 9 . 1 1 92 92 LYS CA C 92 58.980 58.980 58.034 0.946 18942 7476 1 9 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.155 1.078 18942 7477 1 9 . 1 1 92 92 LYS H H 92 8.073 8.073 7.271 0.802 18942 7478 1 9 . 1 1 93 93 GLU N N 93 112.950 112.950 117.445 -4.495 18942 7479 1 9 . 1 1 93 93 GLU C C 93 178.160 178.160 176.649 1.511 18942 7480 1 9 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.367 -0.067 18942 7481 1 9 . 1 1 93 93 GLU CB C 93 33.059 33.059 30.410 2.649 18942 7482 1 9 . 1 1 93 93 GLU H H 93 8.678 8.678 8.425 0.253 18942 7483 1 9 . 1 1 94 94 ALA N N 94 119.150 119.150 122.530 -3.380 18942 7484 1 9 . 1 1 94 94 ALA C C 94 177.262 177.262 178.371 -1.109 18942 7485 1 9 . 1 1 94 94 ALA CA C 94 55.111 55.111 53.063 2.048 18942 7486 1 9 . 1 1 94 94 ALA CB C 94 20.213 20.213 19.595 0.618 18942 7487 1 9 . 1 1 94 94 ALA H H 94 8.529 8.529 7.709 0.820 18942 7488 1 9 . 1 1 95 95 PHE N N 95 111.282 111.282 119.153 -7.871 18942 7489 1 9 . 1 1 95 95 PHE C C 95 175.308 175.308 174.743 0.565 18942 7490 1 9 . 1 1 95 95 PHE CA C 95 56.984 56.984 55.745 1.238 18942 7491 1 9 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.142 0.823 18942 7492 1 9 . 1 1 95 95 PHE H H 95 6.981 6.981 7.854 -0.873 18942 7493 1 9 . 1 1 96 96 THR N N 96 106.274 106.274 114.692 -8.418 18942 7494 1 9 . 1 1 96 96 THR CA C 96 59.540 59.540 59.479 0.061 18942 7495 1 9 . 1 1 96 96 THR CB C 96 71.910 71.910 70.747 1.163 18942 7496 1 9 . 1 1 96 96 THR H H 96 6.842 6.842 7.532 -0.690 18942 7497 1 9 . 1 1 98 98 ALA C C 98 179.284 179.284 178.654 0.630 18942 7498 1 9 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.312 0.709 18942 7499 1 9 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.715 -0.059 18942 7500 1 9 . 1 1 99 99 ARG N N 99 114.439 114.439 116.991 -2.552 18942 7501 1 9 . 1 1 99 99 ARG C C 99 174.052 174.052 175.899 -1.847 18942 7502 1 9 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.623 2.092 18942 7503 1 9 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.341 -0.067 18942 7504 1 9 . 1 1 99 99 ARG H H 99 7.061 7.061 7.842 -0.781 18942 7505 1 9 . 1 1 100 100 GLY N N 100 101.608 101.608 107.257 -5.649 18942 7506 1 9 . 1 1 100 100 GLY C C 100 174.164 174.164 173.022 1.142 18942 7507 1 9 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.981 0.729 18942 7508 1 9 . 1 1 100 100 GLY H H 100 7.496 7.496 7.934 -0.438 18942 7509 1 9 . 1 1 101 101 ALA N N 101 123.007 123.007 121.125 1.882 18942 7510 1 9 . 1 1 101 101 ALA C C 101 177.955 177.955 177.154 0.801 18942 7511 1 9 . 1 1 101 101 ALA CA C 101 53.120 53.120 50.640 2.480 18942 7512 1 9 . 1 1 101 101 ALA CB C 101 18.525 18.525 21.358 -2.833 18942 7513 1 9 . 1 1 101 101 ALA H H 101 7.691 7.691 7.614 0.077 18942 7514 1 9 . 1 1 102 102 ARG N N 102 124.837 124.837 122.195 2.642 18942 7515 1 9 . 1 1 102 102 ARG C C 102 176.459 176.459 176.796 -0.337 18942 7516 1 9 . 1 1 102 102 ARG CA C 102 55.186 55.186 55.177 0.009 18942 7517 1 9 . 1 1 102 102 ARG CB C 102 32.273 32.273 31.049 1.224 18942 7518 1 9 . 1 1 102 102 ARG H H 102 9.456 9.456 8.639 0.817 18942 7519 1 9 . 1 1 103 103 ARG N N 103 123.729 123.729 119.646 4.083 18942 7520 1 9 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.193 1.600 18942 7521 1 9 . 1 1 103 103 ARG CB C 103 30.039 30.039 29.176 0.863 18942 7522 1 9 . 1 1 103 103 ARG H H 103 8.520 8.520 8.586 -0.066 18942 7523 1 9 . 1 1 104 104 GLY N N 104 108.061 108.061 107.647 0.414 18942 7524 1 9 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.771 1.138 18942 7525 1 9 . 1 1 104 104 GLY H H 104 8.345 8.345 8.057 0.288 18942 7526 1 9 . 1 1 105 105 VAL N N 105 118.807 118.807 120.841 -2.034 18942 7527 1 9 . 1 1 105 105 VAL C C 105 176.102 176.102 174.735 1.367 18942 7528 1 9 . 1 1 105 105 VAL CA C 105 61.805 61.805 61.659 0.146 18942 7529 1 9 . 1 1 105 105 VAL CB C 105 31.820 31.820 31.415 0.405 18942 7530 1 9 . 1 1 105 105 VAL H H 105 7.298 7.298 7.769 -0.471 18942 7531 1 9 . 1 1 106 106 LYS N N 106 127.841 127.841 124.412 3.429 18942 7532 1 9 . 1 1 106 106 LYS C C 106 174.143 174.143 174.842 -0.699 18942 7533 1 9 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.587 1.060 18942 7534 1 9 . 1 1 106 106 LYS CB C 106 33.387 33.387 30.366 3.021 18942 7535 1 9 . 1 1 106 106 LYS H H 106 8.288 8.288 7.980 0.308 18942 7536 1 9 . 1 1 107 107 LYS N N 107 122.939 122.939 122.315 0.624 18942 7537 1 9 . 1 1 107 107 LYS C C 107 176.540 176.540 175.915 0.625 18942 7538 1 9 . 1 1 107 107 LYS CA C 107 55.587 55.587 56.017 -0.430 18942 7539 1 9 . 1 1 107 107 LYS CB C 107 35.607 35.607 33.344 2.263 18942 7540 1 9 . 1 1 107 107 LYS H H 107 8.401 8.401 8.278 0.123 18942 7541 1 9 . 1 1 108 108 VAL N N 108 122.376 122.376 124.862 -2.486 18942 7542 1 9 . 1 1 108 108 VAL C C 108 174.507 174.507 174.953 -0.446 18942 7543 1 9 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.738 -0.727 18942 7544 1 9 . 1 1 108 108 VAL CB C 108 36.923 36.923 34.935 1.988 18942 7545 1 9 . 1 1 108 108 VAL H H 108 8.940 8.940 9.367 -0.427 18942 7546 1 9 . 1 1 109 109 MET N N 109 124.377 124.377 126.570 -2.193 18942 7547 1 9 . 1 1 109 109 MET C C 109 175.232 175.232 174.857 0.375 18942 7548 1 9 . 1 1 109 109 MET CA C 109 54.123 54.123 54.734 -0.612 18942 7549 1 9 . 1 1 109 109 MET CB C 109 39.360 39.360 35.509 3.851 18942 7550 1 9 . 1 1 109 109 MET H H 109 9.599 9.599 9.488 0.111 18942 7551 1 9 . 1 1 110 110 VAL N N 110 123.296 123.296 125.237 -1.941 18942 7552 1 9 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.413 -0.215 18942 7553 1 9 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.349 0.826 18942 7554 1 9 . 1 1 110 110 VAL H H 110 8.484 8.484 9.381 -0.897 18942 7555 1 9 . 1 1 111 111 ILE N N 111 128.689 128.689 127.600 1.089 18942 7556 1 9 . 1 1 111 111 ILE C C 111 173.965 173.965 174.781 -0.816 18942 7557 1 9 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.383 1.954 18942 7558 1 9 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.778 -0.489 18942 7559 1 9 . 1 1 111 111 ILE H H 111 9.330 9.330 9.116 0.214 18942 7560 1 9 . 1 1 112 112 VAL N N 112 127.498 127.498 125.101 2.397 18942 7561 1 9 . 1 1 112 112 VAL C C 112 174.932 174.932 174.490 0.442 18942 7562 1 9 . 1 1 112 112 VAL CA C 112 60.642 60.642 59.786 0.856 18942 7563 1 9 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.296 -1.106 18942 7564 1 9 . 1 1 112 112 VAL H H 112 8.376 8.376 8.385 -0.009 18942 7565 1 9 . 1 1 113 113 THR N N 113 116.756 116.756 118.820 -2.064 18942 7566 1 9 . 1 1 113 113 THR C C 113 170.881 170.881 172.811 -1.930 18942 7567 1 9 . 1 1 113 113 THR CA C 113 60.693 60.693 60.367 0.326 18942 7568 1 9 . 1 1 113 113 THR CB C 113 67.772 67.772 70.388 -2.616 18942 7569 1 9 . 1 1 113 113 THR H H 113 8.521 8.521 8.925 -0.404 18942 7570 1 9 . 1 1 114 114 ASP N N 114 122.719 122.719 124.451 -1.732 18942 7571 1 9 . 1 1 114 114 ASP C C 114 177.015 177.015 176.337 0.678 18942 7572 1 9 . 1 1 114 114 ASP CA C 114 54.041 54.041 52.849 1.192 18942 7573 1 9 . 1 1 114 114 ASP CB C 114 42.671 42.671 42.846 -0.175 18942 7574 1 9 . 1 1 114 114 ASP H H 114 7.341 7.341 8.390 -1.049 18942 7575 1 9 . 1 1 115 115 GLY N N 115 103.370 103.370 109.458 -6.088 18942 7576 1 9 . 1 1 115 115 GLY C C 115 171.751 171.751 174.686 -2.935 18942 7577 1 9 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.425 1.245 18942 7578 1 9 . 1 1 115 115 GLY H H 115 7.312 7.312 7.858 -0.546 18942 7579 1 9 . 1 1 116 116 GLU N N 116 120.631 120.631 119.276 1.355 18942 7580 1 9 . 1 1 116 116 GLU C C 116 175.037 175.037 175.849 -0.812 18942 7581 1 9 . 1 1 116 116 GLU CA C 116 54.252 54.252 53.931 0.321 18942 7582 1 9 . 1 1 116 116 GLU CB C 116 27.313 27.313 28.066 -0.753 18942 7583 1 9 . 1 1 116 116 GLU H H 116 7.332 7.332 8.387 -1.055 18942 7584 1 9 . 1 1 117 117 SER N N 117 116.730 116.730 118.194 -1.464 18942 7585 1 9 . 1 1 117 117 SER C C 117 176.356 176.356 173.955 2.401 18942 7586 1 9 . 1 1 117 117 SER CA C 117 57.832 57.832 59.682 -1.850 18942 7587 1 9 . 1 1 117 117 SER CB C 117 66.407 66.407 63.185 3.222 18942 7588 1 9 . 1 1 117 117 SER H H 117 7.964 7.964 8.100 -0.136 18942 7589 1 9 . 1 1 118 118 HIS N N 118 115.543 115.543 125.680 -10.137 18942 7590 1 9 . 1 1 118 118 HIS C C 118 176.602 176.602 174.638 1.964 18942 7591 1 9 . 1 1 118 118 HIS CA C 118 59.291 59.291 56.732 2.559 18942 7592 1 9 . 1 1 118 118 HIS CB C 118 32.819 32.819 31.062 1.757 18942 7593 1 9 . 1 1 118 118 HIS H H 118 9.274 9.274 8.261 1.013 18942 7594 1 9 . 1 1 119 119 ASP N N 119 120.197 120.197 121.195 -0.998 18942 7595 1 9 . 1 1 119 119 ASP CA C 119 52.565 52.565 52.908 -0.343 18942 7596 1 9 . 1 1 119 119 ASP CB C 119 40.309 40.309 40.950 -0.641 18942 7597 1 9 . 1 1 119 119 ASP H H 119 8.160 8.160 8.616 -0.456 18942 7598 1 9 . 1 1 120 120 ASN CA C 120 56.154 56.154 54.637 1.517 18942 7599 1 9 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.330 -0.191 18942 7600 1 9 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.080 -1.609 18942 7601 1 9 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.730 -0.220 18942 7602 1 9 . 1 1 122 122 ARG N N 122 117.636 117.636 119.583 -1.947 18942 7603 1 9 . 1 1 122 122 ARG CA C 122 55.611 55.611 59.210 -3.599 18942 7604 1 9 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.164 1.622 18942 7605 1 9 . 1 1 122 122 ARG H H 122 7.299 7.299 8.073 -0.774 18942 7606 1 9 . 1 1 123 123 LEU N N 123 119.507 119.507 121.479 -1.972 18942 7607 1 9 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.226 0.245 18942 7608 1 9 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.673 0.503 18942 7609 1 9 . 1 1 123 123 LEU H H 123 7.065 7.065 7.565 -0.500 18942 7610 1 9 . 1 1 124 124 LYS N N 124 116.723 116.723 117.594 -0.871 18942 7611 1 9 . 1 1 124 124 LYS CA C 124 60.473 60.473 58.657 1.816 18942 7612 1 9 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.568 0.307 18942 7613 1 9 . 1 1 124 124 LYS H H 124 8.426 8.426 8.336 0.090 18942 7614 1 9 . 1 1 125 125 LYS N N 125 119.329 119.329 120.504 -1.175 18942 7615 1 9 . 1 1 125 125 LYS CA C 125 58.352 58.352 59.098 -0.746 18942 7616 1 9 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.096 -0.612 18942 7617 1 9 . 1 1 125 125 LYS H H 125 7.746 7.746 7.578 0.168 18942 7618 1 9 . 1 1 126 126 VAL N N 126 117.688 117.688 119.280 -1.592 18942 7619 1 9 . 1 1 126 126 VAL C C 126 178.187 178.187 178.130 0.057 18942 7620 1 9 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.230 -0.088 18942 7621 1 9 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.617 0.359 18942 7622 1 9 . 1 1 126 126 VAL H H 126 7.450 7.450 8.125 -0.675 18942 7623 1 9 . 1 1 127 127 ILE N N 127 120.125 120.125 121.421 -1.296 18942 7624 1 9 . 1 1 127 127 ILE C C 127 178.008 178.008 179.230 -1.222 18942 7625 1 9 . 1 1 127 127 ILE CA C 127 63.283 63.283 63.195 0.088 18942 7626 1 9 . 1 1 127 127 ILE CB C 127 35.369 35.369 36.798 -1.429 18942 7627 1 9 . 1 1 127 127 ILE H H 127 8.653 8.653 8.260 0.393 18942 7628 1 9 . 1 1 128 128 GLN N N 128 121.110 121.110 119.661 1.449 18942 7629 1 9 . 1 1 128 128 GLN C C 128 178.258 178.258 177.964 0.294 18942 7630 1 9 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.020 -0.223 18942 7631 1 9 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.111 -0.606 18942 7632 1 9 . 1 1 128 128 GLN H H 128 8.009 8.009 8.728 -0.719 18942 7633 1 9 . 1 1 129 129 ASP N N 129 119.024 119.024 121.447 -2.423 18942 7634 1 9 . 1 1 129 129 ASP C C 129 179.705 179.705 178.399 1.306 18942 7635 1 9 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.080 0.982 18942 7636 1 9 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.768 -0.991 18942 7637 1 9 . 1 1 129 129 ASP H H 129 8.428 8.428 8.244 0.184 18942 7638 1 9 . 1 1 130 130 CYS N N 130 115.536 115.536 118.141 -2.605 18942 7639 1 9 . 1 1 130 130 CYS C C 130 176.824 176.824 176.561 0.263 18942 7640 1 9 . 1 1 130 130 CYS CA C 130 64.211 64.211 60.728 3.483 18942 7641 1 9 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.235 0.534 18942 7642 1 9 . 1 1 130 130 CYS H H 130 7.608 7.608 8.358 -0.750 18942 7643 1 9 . 1 1 131 131 GLU N N 131 123.098 123.098 122.837 0.261 18942 7644 1 9 . 1 1 131 131 GLU C C 131 180.904 180.904 179.054 1.850 18942 7645 1 9 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.844 -0.834 18942 7646 1 9 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.486 -0.069 18942 7647 1 9 . 1 1 131 131 GLU H H 131 8.538 8.538 8.326 0.212 18942 7648 1 9 . 1 1 132 132 ASP N N 132 121.058 121.058 119.716 1.342 18942 7649 1 9 . 1 1 132 132 ASP C C 132 177.666 177.666 177.959 -0.293 18942 7650 1 9 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.590 0.412 18942 7651 1 9 . 1 1 132 132 ASP CB C 132 40.439 40.439 41.176 -0.737 18942 7652 1 9 . 1 1 132 132 ASP H H 132 8.844 8.844 7.870 0.974 18942 7653 1 9 . 1 1 133 133 GLU N N 133 116.312 116.312 116.609 -0.297 18942 7654 1 9 . 1 1 133 133 GLU C C 133 174.841 174.841 175.411 -0.570 18942 7655 1 9 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.443 -0.145 18942 7656 1 9 . 1 1 133 133 GLU CB C 133 30.266 30.266 29.881 0.385 18942 7657 1 9 . 1 1 133 133 GLU H H 133 6.997 6.997 7.662 -0.665 18942 7658 1 9 . 1 1 134 134 ASN N N 134 113.879 113.879 114.611 -0.732 18942 7659 1 9 . 1 1 134 134 ASN C C 134 174.994 174.994 174.979 0.015 18942 7660 1 9 . 1 1 134 134 ASN CA C 134 54.449 54.449 53.786 0.663 18942 7661 1 9 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.218 0.929 18942 7662 1 9 . 1 1 134 134 ASN H H 134 8.069 8.069 7.680 0.389 18942 7663 1 9 . 1 1 135 135 ILE N N 135 118.502 118.502 118.950 -0.448 18942 7664 1 9 . 1 1 135 135 ILE C C 135 175.226 175.226 176.304 -1.078 18942 7665 1 9 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.167 0.119 18942 7666 1 9 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.005 0.051 18942 7667 1 9 . 1 1 135 135 ILE H H 135 7.583 7.583 7.774 -0.191 18942 7668 1 9 . 1 1 136 136 GLN N N 136 131.359 131.359 127.047 4.312 18942 7669 1 9 . 1 1 136 136 GLN C C 136 174.743 174.743 175.022 -0.279 18942 7670 1 9 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.751 0.337 18942 7671 1 9 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.320 1.065 18942 7672 1 9 . 1 1 136 136 GLN H H 136 7.950 7.950 8.545 -0.595 18942 7673 1 9 . 1 1 137 137 ARG N N 137 124.191 124.191 122.986 1.205 18942 7674 1 9 . 1 1 137 137 ARG C C 137 175.598 175.598 174.384 1.214 18942 7675 1 9 . 1 1 137 137 ARG CA C 137 54.853 54.853 53.882 0.971 18942 7676 1 9 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.685 -1.565 18942 7677 1 9 . 1 1 137 137 ARG H H 137 9.182 9.182 7.999 1.183 18942 7678 1 9 . 1 1 138 138 PHE N N 138 121.323 121.323 121.746 -0.423 18942 7679 1 9 . 1 1 138 138 PHE C C 138 175.241 175.241 174.611 0.630 18942 7680 1 9 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.836 -0.195 18942 7681 1 9 . 1 1 138 138 PHE CB C 138 42.394 42.394 43.402 -1.008 18942 7682 1 9 . 1 1 138 138 PHE H H 138 9.214 9.214 9.546 -0.332 18942 7683 1 9 . 1 1 139 139 SER N N 139 118.044 118.044 118.057 -0.013 18942 7684 1 9 . 1 1 139 139 SER C C 139 171.137 171.137 173.720 -2.583 18942 7685 1 9 . 1 1 139 139 SER CA C 139 55.777 55.777 57.152 -1.375 18942 7686 1 9 . 1 1 139 139 SER CB C 139 66.783 66.783 64.926 1.857 18942 7687 1 9 . 1 1 139 139 SER H H 139 9.601 9.601 9.490 0.111 18942 7688 1 9 . 1 1 140 140 ILE N N 140 123.236 123.236 119.289 3.947 18942 7689 1 9 . 1 1 140 140 ILE C C 140 174.822 174.822 174.102 0.720 18942 7690 1 9 . 1 1 140 140 ILE CA C 140 56.556 56.556 58.328 -1.772 18942 7691 1 9 . 1 1 140 140 ILE CB C 140 37.629 37.629 40.899 -3.270 18942 7692 1 9 . 1 1 140 140 ILE H H 140 9.066 9.066 8.951 0.115 18942 7693 1 9 . 1 1 141 141 ALA N N 141 125.375 125.375 127.015 -1.640 18942 7694 1 9 . 1 1 141 141 ALA C C 141 177.131 177.131 175.658 1.473 18942 7695 1 9 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.703 1.414 18942 7696 1 9 . 1 1 141 141 ALA CB C 141 21.403 21.403 21.265 0.138 18942 7697 1 9 . 1 1 141 141 ALA H H 141 8.790 8.790 8.444 0.346 18942 7698 1 9 . 1 1 142 142 ILE N N 142 123.744 123.744 124.652 -0.908 18942 7699 1 9 . 1 1 142 142 ILE C C 142 174.758 174.758 174.545 0.213 18942 7700 1 9 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.950 -1.757 18942 7701 1 9 . 1 1 142 142 ILE CB C 142 39.082 39.082 41.082 -2.000 18942 7702 1 9 . 1 1 142 142 ILE H H 142 7.973 7.973 7.969 0.004 18942 7703 1 9 . 1 1 143 143 LEU N N 143 123.041 123.041 125.102 -2.061 18942 7704 1 9 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.903 1.069 18942 7705 1 9 . 1 1 143 143 LEU CB C 143 43.790 43.790 44.416 -0.626 18942 7706 1 9 . 1 1 143 143 LEU H H 143 8.019 8.019 8.081 -0.062 18942 7707 1 9 . 1 1 144 144 GLY N N 144 108.993 108.993 104.776 4.217 18942 7708 1 9 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.072 2.167 18942 7709 1 9 . 1 1 144 144 GLY H H 144 8.581 8.581 8.518 0.063 18942 7710 1 9 . 1 1 145 145 SER N N 145 114.953 114.953 118.660 -3.707 18942 7711 1 9 . 1 1 145 145 SER CA C 145 58.614 58.614 57.542 1.072 18942 7712 1 9 . 1 1 145 145 SER CB C 145 63.966 63.966 61.727 2.239 18942 7713 1 9 . 1 1 145 145 SER H H 145 8.589 8.589 7.913 0.676 18942 7714 1 9 . 1 1 146 146 TYR N N 146 117.249 117.249 120.887 -3.638 18942 7715 1 9 . 1 1 146 146 TYR CA C 146 56.684 56.684 60.650 -3.966 18942 7716 1 9 . 1 1 146 146 TYR CB C 146 39.174 39.174 36.854 2.320 18942 7717 1 9 . 1 1 146 146 TYR H H 146 7.476 7.476 7.919 -0.443 18942 7718 1 9 . 1 1 147 147 ASN CA C 147 53.886 53.886 54.153 -0.267 18942 7719 1 9 . 1 1 147 147 ASN CB C 147 38.657 38.657 38.121 0.536 18942 7720 1 9 . 1 1 148 148 ARG N N 148 123.288 123.288 120.821 2.467 18942 7721 1 9 . 1 1 148 148 ARG CA C 148 55.535 55.535 55.621 -0.086 18942 7722 1 9 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.354 0.410 18942 7723 1 9 . 1 1 148 148 ARG H H 148 8.404 8.404 8.379 0.025 18942 7724 1 9 . 1 1 149 149 GLY N N 149 107.339 107.339 109.948 -2.609 18942 7725 1 9 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.850 1.079 18942 7726 1 9 . 1 1 149 149 GLY H H 149 8.224 8.224 7.898 0.326 18942 7727 1 9 . 1 1 150 150 ASN N N 150 119.090 119.090 119.587 -0.497 18942 7728 1 9 . 1 1 150 150 ASN C C 150 175.341 175.341 174.779 0.562 18942 7729 1 9 . 1 1 150 150 ASN CA C 150 53.387 53.387 53.537 -0.150 18942 7730 1 9 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.212 1.494 18942 7731 1 9 . 1 1 150 150 ASN H H 150 8.309 8.309 8.493 -0.184 18942 7732 1 9 . 1 1 151 151 LEU N N 151 121.177 121.177 121.600 -0.423 18942 7733 1 9 . 1 1 151 151 LEU C C 151 177.527 177.527 176.345 1.182 18942 7734 1 9 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.736 1.001 18942 7735 1 9 . 1 1 151 151 LEU CB C 151 42.673 42.673 43.026 -0.353 18942 7736 1 9 . 1 1 151 151 LEU H H 151 7.929 7.929 7.855 0.074 18942 7737 1 9 . 1 1 152 152 SER N N 152 115.325 115.325 113.034 2.291 18942 7738 1 9 . 1 1 152 152 SER C C 152 175.354 175.354 175.578 -0.224 18942 7739 1 9 . 1 1 152 152 SER CA C 152 57.739 57.739 58.130 -0.391 18942 7740 1 9 . 1 1 152 152 SER CB C 152 63.247 63.247 63.797 -0.550 18942 7741 1 9 . 1 1 152 152 SER H H 152 8.185 8.185 7.955 0.230 18942 7742 1 9 . 1 1 153 153 THR N N 153 115.287 115.287 121.035 -5.748 18942 7743 1 9 . 1 1 153 153 THR C C 153 175.758 175.758 175.909 -0.151 18942 7744 1 9 . 1 1 153 153 THR CA C 153 63.577 63.577 64.774 -1.197 18942 7745 1 9 . 1 1 153 153 THR CB C 153 69.280 69.280 68.866 0.414 18942 7746 1 9 . 1 1 153 153 THR H H 153 8.134 8.134 8.692 -0.558 18942 7747 1 9 . 1 1 154 154 GLU N N 154 121.501 121.501 120.883 0.618 18942 7748 1 9 . 1 1 154 154 GLU C C 154 178.589 178.589 178.473 0.116 18942 7749 1 9 . 1 1 154 154 GLU CA C 154 59.978 59.978 59.304 0.673 18942 7750 1 9 . 1 1 154 154 GLU CB C 154 29.348 29.348 29.425 -0.077 18942 7751 1 9 . 1 1 154 154 GLU H H 154 8.342 8.342 8.101 0.241 18942 7752 1 9 . 1 1 155 155 LYS N N 155 117.473 117.473 117.437 0.036 18942 7753 1 9 . 1 1 155 155 LYS C C 155 179.039 179.039 178.145 0.894 18942 7754 1 9 . 1 1 155 155 LYS CA C 155 58.776 58.776 56.713 2.063 18942 7755 1 9 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.918 -0.075 18942 7756 1 9 . 1 1 155 155 LYS H H 155 7.752 7.752 7.603 0.149 18942 7757 1 9 . 1 1 156 156 PHE N N 156 120.254 120.254 118.501 1.753 18942 7758 1 9 . 1 1 156 156 PHE C C 156 178.765 178.765 178.013 0.752 18942 7759 1 9 . 1 1 156 156 PHE CA C 156 57.339 57.339 59.111 -1.772 18942 7760 1 9 . 1 1 156 156 PHE CB C 156 37.037 37.037 40.182 -3.146 18942 7761 1 9 . 1 1 156 156 PHE H H 156 7.072 7.072 7.506 -0.434 18942 7762 1 9 . 1 1 157 157 VAL N N 157 118.268 118.268 115.251 3.017 18942 7763 1 9 . 1 1 157 157 VAL C C 157 177.861 177.861 177.225 0.636 18942 7764 1 9 . 1 1 157 157 VAL CA C 157 67.455 67.455 64.467 2.988 18942 7765 1 9 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.896 -0.033 18942 7766 1 9 . 1 1 157 157 VAL H H 157 8.007 8.007 8.187 -0.180 18942 7767 1 9 . 1 1 158 158 GLU N N 158 117.100 117.100 121.532 -4.432 18942 7768 1 9 . 1 1 158 158 GLU C C 158 179.377 179.377 178.335 1.042 18942 7769 1 9 . 1 1 158 158 GLU CA C 158 59.491 59.491 60.164 -0.673 18942 7770 1 9 . 1 1 158 158 GLU CB C 158 29.346 29.346 29.017 0.329 18942 7771 1 9 . 1 1 158 158 GLU H H 158 7.875 7.875 8.037 -0.162 18942 7772 1 9 . 1 1 159 159 GLU N N 159 119.959 119.959 118.166 1.793 18942 7773 1 9 . 1 1 159 159 GLU C C 159 179.622 179.622 178.723 0.899 18942 7774 1 9 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.913 1.438 18942 7775 1 9 . 1 1 159 159 GLU CB C 159 29.359 29.359 28.651 0.709 18942 7776 1 9 . 1 1 159 159 GLU H H 159 7.746 7.746 8.839 -1.093 18942 7777 1 9 . 1 1 160 160 ILE N N 160 119.530 119.530 120.802 -1.272 18942 7778 1 9 . 1 1 160 160 ILE C C 160 180.262 180.262 178.234 2.028 18942 7779 1 9 . 1 1 160 160 ILE CA C 160 66.305 66.305 64.538 1.767 18942 7780 1 9 . 1 1 160 160 ILE CB C 160 39.319 39.319 37.963 1.356 18942 7781 1 9 . 1 1 160 160 ILE H H 160 8.094 8.094 7.492 0.602 18942 7782 1 9 . 1 1 161 161 LYS N N 161 121.437 121.437 119.642 1.795 18942 7783 1 9 . 1 1 161 161 LYS C C 161 178.518 178.518 178.474 0.044 18942 7784 1 9 . 1 1 161 161 LYS CA C 161 60.656 60.656 58.876 1.780 18942 7785 1 9 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.145 1.456 18942 7786 1 9 . 1 1 161 161 LYS H H 161 8.500 8.500 8.269 0.231 18942 7787 1 9 . 1 1 162 162 SER N N 162 113.380 113.380 114.755 -1.375 18942 7788 1 9 . 1 1 162 162 SER C C 162 174.773 174.773 174.861 -0.088 18942 7789 1 9 . 1 1 162 162 SER CA C 162 61.208 61.208 60.418 0.790 18942 7790 1 9 . 1 1 162 162 SER CB C 162 62.725 62.725 63.288 -0.563 18942 7791 1 9 . 1 1 162 162 SER H H 162 7.653 7.653 8.089 -0.436 18942 7792 1 9 . 1 1 163 163 ILE N N 163 121.115 121.115 120.371 0.744 18942 7793 1 9 . 1 1 163 163 ILE C C 163 175.371 175.371 175.037 0.334 18942 7794 1 9 . 1 1 163 163 ILE CA C 163 62.854 62.854 61.475 1.379 18942 7795 1 9 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.471 1.166 18942 7796 1 9 . 1 1 163 163 ILE H H 163 7.068 7.068 7.232 -0.164 18942 7797 1 9 . 1 1 164 164 ALA N N 164 120.332 120.332 121.233 -0.901 18942 7798 1 9 . 1 1 164 164 ALA C C 164 178.713 178.713 177.294 1.419 18942 7799 1 9 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.594 0.959 18942 7800 1 9 . 1 1 164 164 ALA CB C 164 19.820 19.820 18.465 1.355 18942 7801 1 9 . 1 1 164 164 ALA H H 164 6.801 6.801 7.152 -0.351 18942 7802 1 9 . 1 1 165 165 SER N N 165 120.959 120.959 120.672 0.287 18942 7803 1 9 . 1 1 165 165 SER C C 165 171.079 171.079 175.138 -4.059 18942 7804 1 9 . 1 1 165 165 SER CA C 165 61.464 61.464 60.242 1.222 18942 7805 1 9 . 1 1 165 165 SER CB C 165 61.858 61.858 63.532 -1.674 18942 7806 1 9 . 1 1 165 165 SER H H 165 8.656 8.656 8.387 0.269 18942 7807 1 9 . 1 1 166 166 GLU N N 166 116.428 116.428 121.572 -5.144 18942 7808 1 9 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.473 -0.326 18942 7809 1 9 . 1 1 166 166 GLU CB C 166 30.057 30.057 30.007 0.050 18942 7810 1 9 . 1 1 166 166 GLU H H 166 7.949 7.949 8.077 -0.128 18942 7811 1 9 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.716 -1.932 18942 7812 1 9 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.124 2.345 18942 7813 1 9 . 1 1 168 168 THR C C 168 176.433 176.433 176.358 0.075 18942 7814 1 9 . 1 1 168 168 THR CA C 168 67.606 67.606 65.077 2.529 18942 7815 1 9 . 1 1 168 168 THR CB C 168 69.086 69.086 68.771 0.315 18942 7816 1 9 . 1 1 169 169 GLU N N 169 118.116 118.116 121.165 -3.049 18942 7817 1 9 . 1 1 169 169 GLU C C 169 177.434 177.434 176.814 0.620 18942 7818 1 9 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.768 0.181 18942 7819 1 9 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.367 -0.796 18942 7820 1 9 . 1 1 169 169 GLU H H 169 9.598 9.598 8.660 0.938 18942 7821 1 9 . 1 1 170 170 LYS N N 170 114.965 114.965 113.003 1.962 18942 7822 1 9 . 1 1 170 170 LYS C C 170 173.967 173.967 176.188 -2.221 18942 7823 1 9 . 1 1 170 170 LYS CA C 170 56.221 56.221 55.599 0.622 18942 7824 1 9 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.728 1.086 18942 7825 1 9 . 1 1 170 170 LYS H H 170 7.300 7.300 7.405 -0.105 18942 7826 1 9 . 1 1 171 171 HIS N N 171 112.017 112.017 116.075 -4.058 18942 7827 1 9 . 1 1 171 171 HIS C C 171 171.860 171.860 173.304 -1.444 18942 7828 1 9 . 1 1 171 171 HIS CA C 171 57.840 57.840 56.966 0.874 18942 7829 1 9 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.198 0.497 18942 7830 1 9 . 1 1 171 171 HIS H H 171 7.198 7.198 7.778 -0.580 18942 7831 1 9 . 1 1 172 172 PHE N N 172 121.188 121.188 121.735 -0.547 18942 7832 1 9 . 1 1 172 172 PHE C C 172 172.383 172.383 173.463 -1.080 18942 7833 1 9 . 1 1 172 172 PHE CA C 172 55.210 55.210 57.247 -2.037 18942 7834 1 9 . 1 1 172 172 PHE CB C 172 41.412 41.412 40.526 0.886 18942 7835 1 9 . 1 1 172 172 PHE H H 172 7.342 7.342 7.900 -0.558 18942 7836 1 9 . 1 1 173 173 PHE N N 173 120.855 120.855 123.709 -2.854 18942 7837 1 9 . 1 1 173 173 PHE C C 173 173.751 173.751 173.556 0.195 18942 7838 1 9 . 1 1 173 173 PHE CA C 173 55.895 55.895 56.444 -0.549 18942 7839 1 9 . 1 1 173 173 PHE CB C 173 45.217 45.217 43.187 2.030 18942 7840 1 9 . 1 1 173 173 PHE H H 173 8.012 8.012 8.684 -0.672 18942 7841 1 9 . 1 1 174 174 ASN N N 174 118.624 118.624 118.237 0.387 18942 7842 1 9 . 1 1 174 174 ASN C C 174 176.826 176.826 176.755 0.071 18942 7843 1 9 . 1 1 174 174 ASN CA C 174 53.298 53.298 51.714 1.584 18942 7844 1 9 . 1 1 174 174 ASN CB C 174 40.549 40.549 40.655 -0.106 18942 7845 1 9 . 1 1 174 174 ASN H H 174 8.760 8.760 8.673 0.087 18942 7846 1 9 . 1 1 175 175 VAL N N 175 122.779 122.779 122.952 -0.173 18942 7847 1 9 . 1 1 175 175 VAL C C 175 174.743 174.743 176.052 -1.309 18942 7848 1 9 . 1 1 175 175 VAL CA C 175 64.542 64.542 64.494 0.048 18942 7849 1 9 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.601 0.480 18942 7850 1 9 . 1 1 175 175 VAL H H 175 8.349 8.349 7.988 0.361 18942 7851 1 9 . 1 1 176 176 SER N N 176 111.983 111.983 111.383 0.600 18942 7852 1 9 . 1 1 176 176 SER C C 176 174.583 174.583 174.105 0.478 18942 7853 1 9 . 1 1 176 176 SER CA C 176 57.972 57.972 58.520 -0.548 18942 7854 1 9 . 1 1 176 176 SER CB C 176 63.722 63.722 63.468 0.254 18942 7855 1 9 . 1 1 176 176 SER H H 176 7.933 7.933 7.622 0.311 18942 7856 1 9 . 1 1 177 177 ASP N N 177 122.321 122.321 121.700 0.621 18942 7857 1 9 . 1 1 177 177 ASP C C 177 178.008 178.008 175.898 2.110 18942 7858 1 9 . 1 1 177 177 ASP CA C 177 54.315 54.315 52.877 1.438 18942 7859 1 9 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.814 -1.127 18942 7860 1 9 . 1 1 177 177 ASP H H 177 7.696 7.696 7.370 0.326 18942 7861 1 9 . 1 1 178 178 GLU N N 178 128.610 128.610 126.221 2.389 18942 7862 1 9 . 1 1 178 178 GLU C C 178 177.787 177.787 177.763 0.024 18942 7863 1 9 . 1 1 178 178 GLU CA C 178 59.124 59.124 58.150 0.974 18942 7864 1 9 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.284 0.440 18942 7865 1 9 . 1 1 178 178 GLU H H 178 9.211 9.211 8.866 0.345 18942 7866 1 9 . 1 1 179 179 LEU N N 179 117.532 117.532 120.466 -2.934 18942 7867 1 9 . 1 1 179 179 LEU C C 179 178.646 178.646 178.623 0.023 18942 7868 1 9 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.426 -1.351 18942 7869 1 9 . 1 1 179 179 LEU CB C 179 41.784 41.784 40.551 1.233 18942 7870 1 9 . 1 1 179 179 LEU H H 179 8.683 8.683 8.592 0.091 18942 7871 1 9 . 1 1 180 180 ALA N N 180 123.387 123.387 122.123 1.264 18942 7872 1 9 . 1 1 180 180 ALA C C 180 178.175 178.175 179.104 -0.929 18942 7873 1 9 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.990 0.967 18942 7874 1 9 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.907 1.414 18942 7875 1 9 . 1 1 180 180 ALA H H 180 7.627 7.627 8.317 -0.690 18942 7876 1 9 . 1 1 181 181 LEU N N 181 114.375 114.375 118.100 -3.725 18942 7877 1 9 . 1 1 181 181 LEU C C 181 178.681 178.681 178.607 0.074 18942 7878 1 9 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.081 1.051 18942 7879 1 9 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.480 -0.342 18942 7880 1 9 . 1 1 181 181 LEU H H 181 7.638 7.638 7.395 0.243 18942 7881 1 9 . 1 1 182 182 VAL N N 182 113.683 113.683 119.671 -5.988 18942 7882 1 9 . 1 1 182 182 VAL C C 182 178.401 178.401 177.888 0.513 18942 7883 1 9 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.917 -1.742 18942 7884 1 9 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.335 0.640 18942 7885 1 9 . 1 1 182 182 VAL H H 182 7.448 7.448 7.197 0.251 18942 7886 1 9 . 1 1 183 183 THR N N 183 116.081 116.081 117.251 -1.170 18942 7887 1 9 . 1 1 183 183 THR C C 183 176.701 176.701 176.646 0.055 18942 7888 1 9 . 1 1 183 183 THR CA C 183 66.999 66.999 66.973 0.026 18942 7889 1 9 . 1 1 183 183 THR CB C 183 67.885 67.885 68.608 -0.722 18942 7890 1 9 . 1 1 183 183 THR H H 183 7.527 7.527 7.954 -0.427 18942 7891 1 9 . 1 1 184 184 ILE N N 184 124.157 124.157 122.542 1.615 18942 7892 1 9 . 1 1 184 184 ILE C C 184 177.072 177.072 177.601 -0.529 18942 7893 1 9 . 1 1 184 184 ILE CA C 184 66.514 66.514 65.575 0.939 18942 7894 1 9 . 1 1 184 184 ILE CB C 184 38.229 38.229 37.017 1.212 18942 7895 1 9 . 1 1 184 184 ILE H H 184 8.406 8.406 7.338 1.068 18942 7896 1 9 . 1 1 185 185 VAL N N 185 115.165 115.165 119.125 -3.960 18942 7897 1 9 . 1 1 185 185 VAL C C 185 178.544 178.544 177.758 0.786 18942 7898 1 9 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.754 0.248 18942 7899 1 9 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.182 -0.176 18942 7900 1 9 . 1 1 185 185 VAL H H 185 7.429 7.429 7.863 -0.434 18942 7901 1 9 . 1 1 186 186 LYS N N 186 119.326 119.326 118.538 0.788 18942 7902 1 9 . 1 1 186 186 LYS C C 186 179.109 179.109 178.181 0.928 18942 7903 1 9 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.363 0.133 18942 7904 1 9 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.310 0.556 18942 7905 1 9 . 1 1 186 186 LYS H H 186 7.659 7.659 8.192 -0.533 18942 7906 1 9 . 1 1 187 187 THR N N 187 116.582 116.582 114.189 2.393 18942 7907 1 9 . 1 1 187 187 THR C C 187 177.056 177.056 176.616 0.440 18942 7908 1 9 . 1 1 187 187 THR CA C 187 66.358 66.358 65.371 0.987 18942 7909 1 9 . 1 1 187 187 THR CB C 187 69.105 69.105 69.282 -0.177 18942 7910 1 9 . 1 1 187 187 THR H H 187 8.377 8.377 7.563 0.814 18942 7911 1 9 . 1 1 188 188 LEU N N 188 121.469 121.469 122.783 -1.314 18942 7912 1 9 . 1 1 188 188 LEU C C 188 178.177 178.177 178.723 -0.546 18942 7913 1 9 . 1 1 188 188 LEU CA C 188 57.524 57.524 57.366 0.158 18942 7914 1 9 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.485 0.831 18942 7915 1 9 . 1 1 188 188 LEU H H 188 8.262 8.262 8.546 -0.284 18942 7916 1 9 . 1 1 189 189 GLY N N 189 104.655 104.655 105.432 -0.777 18942 7917 1 9 . 1 1 189 189 GLY C C 189 174.400 174.400 174.731 -0.331 18942 7918 1 9 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.681 0.286 18942 7919 1 9 . 1 1 189 189 GLY H H 189 7.898 7.898 7.930 -0.032 18942 7920 1 9 . 1 1 190 190 GLU N N 190 119.430 119.430 120.092 -0.662 18942 7921 1 9 . 1 1 190 190 GLU C C 190 176.344 176.344 176.852 -0.508 18942 7922 1 9 . 1 1 190 190 GLU CA C 190 56.871 56.871 54.274 2.597 18942 7923 1 9 . 1 1 190 190 GLU CB C 190 30.653 30.653 31.702 -1.049 18942 7924 1 9 . 1 1 190 190 GLU H H 190 7.630 7.630 7.529 0.101 18942 7925 1 9 . 1 1 191 191 ARG N N 191 121.191 121.191 119.225 1.966 18942 7926 1 9 . 1 1 191 191 ARG C C 191 175.205 175.205 175.841 -0.636 18942 7927 1 9 . 1 1 191 191 ARG CA C 191 56.061 56.061 58.938 -2.877 18942 7928 1 9 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.373 0.482 18942 7929 1 9 . 1 1 191 191 ARG H H 191 8.126 8.126 8.866 -0.740 18942 7930 1 10 . 1 1 2 2 THR N N 2 115.468 115.468 121.906 -6.438 18942 7931 1 10 . 1 1 2 2 THR C C 2 174.211 174.211 173.948 0.263 18942 7932 1 10 . 1 1 2 2 THR CA C 2 61.939 61.939 62.266 -0.327 18942 7933 1 10 . 1 1 2 2 THR CB C 2 70.018 70.018 68.014 2.003 18942 7934 1 10 . 1 1 2 2 THR H H 2 8.002 8.002 8.855 -0.853 18942 7935 1 10 . 1 1 3 3 GLN N N 3 122.804 122.804 126.536 -3.732 18942 7936 1 10 . 1 1 3 3 GLN C C 3 174.443 174.443 174.446 -0.003 18942 7937 1 10 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.881 0.679 18942 7938 1 10 . 1 1 3 3 GLN CB C 3 30.049 30.049 29.163 0.886 18942 7939 1 10 . 1 1 3 3 GLN H H 3 8.225 8.225 8.057 0.168 18942 7940 1 10 . 1 1 4 4 LEU N N 4 120.941 120.941 120.214 0.727 18942 7941 1 10 . 1 1 4 4 LEU C C 4 174.867 174.867 174.792 0.075 18942 7942 1 10 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.135 0.365 18942 7943 1 10 . 1 1 4 4 LEU CB C 4 47.427 47.427 44.703 2.724 18942 7944 1 10 . 1 1 4 4 LEU H H 4 6.832 6.832 7.923 -1.091 18942 7945 1 10 . 1 1 5 5 ASP N N 5 125.936 125.936 122.382 3.554 18942 7946 1 10 . 1 1 5 5 ASP C C 5 173.417 173.417 175.248 -1.831 18942 7947 1 10 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.426 0.181 18942 7948 1 10 . 1 1 5 5 ASP CB C 5 42.393 42.393 42.595 -0.202 18942 7949 1 10 . 1 1 5 5 ASP H H 5 8.760 8.760 8.345 0.415 18942 7950 1 10 . 1 1 6 6 ILE N N 6 122.489 122.489 125.026 -2.537 18942 7951 1 10 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.966 0.152 18942 7952 1 10 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.236 -1.442 18942 7953 1 10 . 1 1 6 6 ILE H H 6 8.897 8.897 9.259 -0.362 18942 7954 1 10 . 1 1 7 7 VAL N N 7 124.979 124.979 126.740 -1.761 18942 7955 1 10 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.444 0.622 18942 7956 1 10 . 1 1 7 7 VAL CB C 7 34.162 34.162 34.831 -0.669 18942 7957 1 10 . 1 1 7 7 VAL H H 7 9.009 9.009 8.823 0.186 18942 7958 1 10 . 1 1 8 8 ILE N N 8 127.861 127.861 128.623 -0.762 18942 7959 1 10 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.099 1.742 18942 7960 1 10 . 1 1 8 8 ILE CB C 8 38.016 38.016 37.999 0.017 18942 7961 1 10 . 1 1 8 8 ILE H H 8 8.758 8.758 9.254 -0.496 18942 7962 1 10 . 1 1 9 9 VAL N N 9 129.205 129.205 127.709 1.496 18942 7963 1 10 . 1 1 9 9 VAL C C 9 173.949 173.949 175.099 -1.150 18942 7964 1 10 . 1 1 9 9 VAL CA C 9 61.475 61.475 60.895 0.580 18942 7965 1 10 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.610 -0.214 18942 7966 1 10 . 1 1 9 9 VAL H H 9 9.713 9.713 9.296 0.417 18942 7967 1 10 . 1 1 10 10 LEU N N 10 123.753 123.753 128.380 -4.627 18942 7968 1 10 . 1 1 10 10 LEU C C 10 174.175 174.175 175.369 -1.194 18942 7969 1 10 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.850 0.876 18942 7970 1 10 . 1 1 10 10 LEU CB C 10 44.609 44.609 43.085 1.524 18942 7971 1 10 . 1 1 10 10 LEU H H 10 9.261 9.261 9.083 0.178 18942 7972 1 10 . 1 1 11 11 ASP N N 11 125.333 125.333 121.433 3.900 18942 7973 1 10 . 1 1 11 11 ASP C C 11 174.405 174.405 176.699 -2.294 18942 7974 1 10 . 1 1 11 11 ASP CA C 11 53.553 53.553 53.116 0.437 18942 7975 1 10 . 1 1 11 11 ASP CB C 11 41.590 41.590 41.760 -0.170 18942 7976 1 10 . 1 1 11 11 ASP H H 11 7.867 7.867 8.489 -0.622 18942 7977 1 10 . 1 1 12 12 GLY N N 12 113.584 113.584 113.182 0.402 18942 7978 1 10 . 1 1 12 12 GLY C C 12 176.010 176.010 174.027 1.983 18942 7979 1 10 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.382 0.332 18942 7980 1 10 . 1 1 12 12 GLY H H 12 8.825 8.825 8.152 0.673 18942 7981 1 10 . 1 1 13 13 SER N N 13 114.408 114.408 115.443 -1.035 18942 7982 1 10 . 1 1 13 13 SER C C 13 173.728 173.728 174.731 -1.003 18942 7983 1 10 . 1 1 13 13 SER CA C 13 58.607 58.607 58.444 0.163 18942 7984 1 10 . 1 1 13 13 SER CB C 13 64.366 64.366 64.692 -0.326 18942 7985 1 10 . 1 1 13 13 SER H H 13 8.668 8.668 7.851 0.817 18942 7986 1 10 . 1 1 14 14 ASN N N 14 117.122 117.122 118.241 -1.119 18942 7987 1 10 . 1 1 14 14 ASN C C 14 175.323 175.323 176.249 -0.926 18942 7988 1 10 . 1 1 14 14 ASN CA C 14 55.132 55.132 54.605 0.527 18942 7989 1 10 . 1 1 14 14 ASN CB C 14 37.735 37.735 39.069 -1.334 18942 7990 1 10 . 1 1 14 14 ASN H H 14 8.800 8.800 8.827 -0.027 18942 7991 1 10 . 1 1 15 15 SER N N 15 109.840 109.840 114.339 -4.499 18942 7992 1 10 . 1 1 15 15 SER C C 15 175.252 175.252 174.647 0.605 18942 7993 1 10 . 1 1 15 15 SER CA C 15 60.352 60.352 59.169 1.183 18942 7994 1 10 . 1 1 15 15 SER CB C 15 62.281 62.281 63.527 -1.246 18942 7995 1 10 . 1 1 15 15 SER H H 15 8.949 8.949 8.092 0.857 18942 7996 1 10 . 1 1 16 16 ILE N N 16 125.955 125.955 120.223 5.732 18942 7997 1 10 . 1 1 16 16 ILE C C 16 175.772 175.772 174.845 0.927 18942 7998 1 10 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.567 -1.148 18942 7999 1 10 . 1 1 16 16 ILE CB C 16 34.858 34.858 39.933 -5.075 18942 8000 1 10 . 1 1 16 16 ILE H H 16 7.463 7.463 7.599 -0.136 18942 8001 1 10 . 1 1 17 17 TYR N N 17 125.148 125.148 123.915 1.233 18942 8002 1 10 . 1 1 17 17 TYR CA C 17 55.534 55.534 54.160 1.374 18942 8003 1 10 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.532 5.101 18942 8004 1 10 . 1 1 17 17 TYR H H 17 8.097 8.097 8.315 -0.218 18942 8005 1 10 . 1 1 18 18 PRO C C 18 177.356 177.356 177.484 -0.128 18942 8006 1 10 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.449 -0.744 18942 8007 1 10 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.238 0.732 18942 8008 1 10 . 1 1 19 19 TRP N N 19 125.777 125.777 125.696 0.081 18942 8009 1 10 . 1 1 19 19 TRP C C 19 177.067 177.067 177.018 0.049 18942 8010 1 10 . 1 1 19 19 TRP CA C 19 59.646 59.646 58.813 0.833 18942 8011 1 10 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.921 -0.231 18942 8012 1 10 . 1 1 19 19 TRP H H 19 9.064 9.064 8.933 0.131 18942 8013 1 10 . 1 1 20 20 ASP N N 20 112.639 112.639 120.152 -7.513 18942 8014 1 10 . 1 1 20 20 ASP C C 20 178.681 178.681 178.906 -0.225 18942 8015 1 10 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.922 -1.708 18942 8016 1 10 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.537 -0.153 18942 8017 1 10 . 1 1 20 20 ASP H H 20 8.476 8.476 8.715 -0.239 18942 8018 1 10 . 1 1 21 21 SER N N 21 113.464 113.464 115.913 -2.449 18942 8019 1 10 . 1 1 21 21 SER C C 21 176.264 176.264 176.577 -0.313 18942 8020 1 10 . 1 1 21 21 SER CA C 21 61.853 61.853 61.829 0.024 18942 8021 1 10 . 1 1 21 21 SER CB C 21 63.207 63.207 63.001 0.206 18942 8022 1 10 . 1 1 21 21 SER H H 21 7.436 7.436 7.668 -0.232 18942 8023 1 10 . 1 1 22 22 VAL N N 22 123.136 123.136 121.555 1.581 18942 8024 1 10 . 1 1 22 22 VAL C C 22 177.581 177.581 177.406 0.175 18942 8025 1 10 . 1 1 22 22 VAL CA C 22 66.778 66.778 66.030 0.748 18942 8026 1 10 . 1 1 22 22 VAL CB C 22 30.884 30.884 30.858 0.026 18942 8027 1 10 . 1 1 22 22 VAL H H 22 7.130 7.130 7.511 -0.381 18942 8028 1 10 . 1 1 23 23 THR N N 23 110.025 110.025 113.134 -3.109 18942 8029 1 10 . 1 1 23 23 THR C C 23 177.587 177.587 176.574 1.013 18942 8030 1 10 . 1 1 23 23 THR CA C 23 66.080 66.080 66.104 -0.024 18942 8031 1 10 . 1 1 23 23 THR CB C 23 68.089 68.089 68.468 -0.379 18942 8032 1 10 . 1 1 23 23 THR H H 23 7.637 7.637 8.260 -0.623 18942 8033 1 10 . 1 1 24 24 ALA N N 24 123.457 123.457 124.575 -1.118 18942 8034 1 10 . 1 1 24 24 ALA C C 24 178.927 178.927 178.853 0.074 18942 8035 1 10 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.967 0.497 18942 8036 1 10 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.338 0.153 18942 8037 1 10 . 1 1 24 24 ALA H H 24 7.768 7.768 8.139 -0.371 18942 8038 1 10 . 1 1 25 25 PHE N N 25 118.072 118.072 120.536 -2.464 18942 8039 1 10 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.578 -0.261 18942 8040 1 10 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.271 -0.333 18942 8041 1 10 . 1 1 25 25 PHE H H 25 7.064 7.064 8.259 -1.195 18942 8042 1 10 . 1 1 26 26 LEU N N 26 115.251 115.251 118.907 -3.656 18942 8043 1 10 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.594 0.109 18942 8044 1 10 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.497 1.808 18942 8045 1 10 . 1 1 26 26 LEU H H 26 8.016 8.016 8.588 -0.572 18942 8046 1 10 . 1 1 27 27 ASN N N 27 114.759 114.759 119.357 -4.598 18942 8047 1 10 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.846 0.677 18942 8048 1 10 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.310 2.399 18942 8049 1 10 . 1 1 27 27 ASN H H 27 7.842 7.842 8.495 -0.653 18942 8050 1 10 . 1 1 28 28 ASP N N 28 116.899 116.899 119.681 -2.782 18942 8051 1 10 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.532 -0.923 18942 8052 1 10 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.766 -0.328 18942 8053 1 10 . 1 1 28 28 ASP H H 28 7.802 7.802 8.320 -0.518 18942 8054 1 10 . 1 1 29 29 LEU N N 29 118.230 118.230 122.074 -3.844 18942 8055 1 10 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.913 -0.089 18942 8056 1 10 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.679 0.334 18942 8057 1 10 . 1 1 29 29 LEU H H 29 7.970 7.970 7.657 0.313 18942 8058 1 10 . 1 1 30 30 LEU N N 30 114.781 114.781 118.590 -3.809 18942 8059 1 10 . 1 1 30 30 LEU C C 30 178.917 178.917 179.436 -0.519 18942 8060 1 10 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.055 0.638 18942 8061 1 10 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.403 1.141 18942 8062 1 10 . 1 1 30 30 LEU H H 30 8.000 8.000 8.435 -0.435 18942 8063 1 10 . 1 1 31 31 GLU N N 31 113.705 113.705 117.372 -3.667 18942 8064 1 10 . 1 1 31 31 GLU C C 31 177.554 177.554 177.977 -0.423 18942 8065 1 10 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.301 0.144 18942 8066 1 10 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.656 -0.232 18942 8067 1 10 . 1 1 31 31 GLU H H 31 7.880 7.880 8.102 -0.222 18942 8068 1 10 . 1 1 32 32 ARG N N 32 114.470 114.470 116.296 -1.826 18942 8069 1 10 . 1 1 32 32 ARG C C 32 175.851 175.851 176.644 -0.793 18942 8070 1 10 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.904 -1.355 18942 8071 1 10 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.907 -0.321 18942 8072 1 10 . 1 1 32 32 ARG H H 32 7.014 7.014 7.362 -0.348 18942 8073 1 10 . 1 1 33 33 MET N N 33 116.853 116.853 119.744 -2.891 18942 8074 1 10 . 1 1 33 33 MET C C 33 174.809 174.809 175.046 -0.237 18942 8075 1 10 . 1 1 33 33 MET CA C 33 54.694 54.694 53.691 1.003 18942 8076 1 10 . 1 1 33 33 MET CB C 33 35.436 35.436 31.875 3.561 18942 8077 1 10 . 1 1 33 33 MET H H 33 7.528 7.528 7.529 -0.001 18942 8078 1 10 . 1 1 34 34 ASP N N 34 123.345 123.345 126.147 -2.802 18942 8079 1 10 . 1 1 34 34 ASP C C 34 173.878 173.878 175.386 -1.508 18942 8080 1 10 . 1 1 34 34 ASP CA C 34 53.172 53.172 55.661 -2.489 18942 8081 1 10 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.986 -0.095 18942 8082 1 10 . 1 1 34 34 ASP H H 34 8.784 8.784 8.798 -0.014 18942 8083 1 10 . 1 1 35 35 ILE N N 35 123.293 123.293 126.111 -2.818 18942 8084 1 10 . 1 1 35 35 ILE C C 35 176.589 176.589 175.520 1.069 18942 8085 1 10 . 1 1 35 35 ILE CA C 35 58.830 58.830 60.169 -1.339 18942 8086 1 10 . 1 1 35 35 ILE CB C 35 38.073 38.073 38.346 -0.273 18942 8087 1 10 . 1 1 35 35 ILE H H 35 7.188 7.188 7.650 -0.462 18942 8088 1 10 . 1 1 36 36 GLY N N 36 112.822 112.822 113.829 -1.007 18942 8089 1 10 . 1 1 36 36 GLY CA C 36 45.744 45.744 44.911 0.833 18942 8090 1 10 . 1 1 36 36 GLY H H 36 8.748 8.748 8.453 0.295 18942 8091 1 10 . 1 1 37 37 PRO C C 37 178.427 178.427 176.640 1.787 18942 8092 1 10 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.180 0.669 18942 8093 1 10 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.707 -0.505 18942 8094 1 10 . 1 1 38 38 LYS N N 38 116.281 116.281 117.875 -1.594 18942 8095 1 10 . 1 1 38 38 LYS C C 38 176.306 176.306 174.495 1.811 18942 8096 1 10 . 1 1 38 38 LYS CA C 38 54.664 54.664 56.270 -1.605 18942 8097 1 10 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.514 0.131 18942 8098 1 10 . 1 1 38 38 LYS H H 38 8.262 8.262 7.981 0.281 18942 8099 1 10 . 1 1 39 39 GLN N N 39 121.587 121.587 117.901 3.686 18942 8100 1 10 . 1 1 39 39 GLN C C 39 176.105 176.105 175.103 1.002 18942 8101 1 10 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.641 0.807 18942 8102 1 10 . 1 1 39 39 GLN CB C 39 29.540 29.540 31.842 -2.302 18942 8103 1 10 . 1 1 39 39 GLN H H 39 7.680 7.680 7.932 -0.252 18942 8104 1 10 . 1 1 40 40 THR N N 40 124.944 124.944 115.333 9.611 18942 8105 1 10 . 1 1 40 40 THR C C 40 172.592 172.592 173.572 -0.980 18942 8106 1 10 . 1 1 40 40 THR CA C 40 63.650 63.650 63.242 0.408 18942 8107 1 10 . 1 1 40 40 THR CB C 40 69.597 69.597 66.765 2.832 18942 8108 1 10 . 1 1 40 40 THR H H 40 8.525 8.525 8.837 -0.312 18942 8109 1 10 . 1 1 41 41 GLN N N 41 122.782 122.782 122.106 0.676 18942 8110 1 10 . 1 1 41 41 GLN C C 41 174.312 174.312 174.183 0.129 18942 8111 1 10 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.494 -0.345 18942 8112 1 10 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.778 4.148 18942 8113 1 10 . 1 1 41 41 GLN H H 41 8.821 8.821 8.259 0.562 18942 8114 1 10 . 1 1 42 42 VAL N N 42 118.560 118.560 124.471 -5.911 18942 8115 1 10 . 1 1 42 42 VAL C C 42 173.505 173.505 175.915 -2.410 18942 8116 1 10 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.283 -0.279 18942 8117 1 10 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.792 2.043 18942 8118 1 10 . 1 1 42 42 VAL H H 42 8.135 8.135 8.327 -0.192 18942 8119 1 10 . 1 1 43 43 GLY N N 43 110.800 110.800 114.627 -3.827 18942 8120 1 10 . 1 1 43 43 GLY C C 43 172.196 172.196 172.290 -0.094 18942 8121 1 10 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.454 -0.164 18942 8122 1 10 . 1 1 43 43 GLY H H 43 8.606 8.606 8.632 -0.026 18942 8123 1 10 . 1 1 44 44 ILE N N 44 115.225 115.225 124.213 -8.988 18942 8124 1 10 . 1 1 44 44 ILE C C 44 174.136 174.136 175.311 -1.175 18942 8125 1 10 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.829 0.017 18942 8126 1 10 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.731 1.521 18942 8127 1 10 . 1 1 44 44 ILE H H 44 7.361 7.361 8.207 -0.846 18942 8128 1 10 . 1 1 45 45 VAL N N 45 126.880 126.880 126.108 0.772 18942 8129 1 10 . 1 1 45 45 VAL C C 45 173.113 173.113 174.061 -0.948 18942 8130 1 10 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.333 -0.501 18942 8131 1 10 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.865 -0.130 18942 8132 1 10 . 1 1 45 45 VAL H H 45 9.245 9.245 9.161 0.084 18942 8133 1 10 . 1 1 46 46 GLN N N 46 124.650 124.650 125.546 -0.896 18942 8134 1 10 . 1 1 46 46 GLN C C 46 173.879 173.879 174.308 -0.429 18942 8135 1 10 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.210 0.549 18942 8136 1 10 . 1 1 46 46 GLN CB C 46 32.485 32.485 33.115 -0.630 18942 8137 1 10 . 1 1 46 46 GLN H H 46 9.333 9.333 9.195 0.138 18942 8138 1 10 . 1 1 47 47 TYR N N 47 123.588 123.588 122.639 0.949 18942 8139 1 10 . 1 1 47 47 TYR C C 47 172.762 172.762 174.016 -1.254 18942 8140 1 10 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.189 0.230 18942 8141 1 10 . 1 1 47 47 TYR CB C 47 44.504 44.504 41.706 2.798 18942 8142 1 10 . 1 1 47 47 TYR H H 47 9.300 9.300 8.782 0.518 18942 8143 1 10 . 1 1 48 48 GLY N N 48 107.867 107.867 111.065 -3.198 18942 8144 1 10 . 1 1 48 48 GLY C C 48 172.936 172.936 173.596 -0.660 18942 8145 1 10 . 1 1 48 48 GLY CA C 48 48.040 48.040 45.808 2.232 18942 8146 1 10 . 1 1 48 48 GLY H H 48 7.894 7.894 8.203 -0.309 18942 8147 1 10 . 1 1 49 49 GLU N N 49 127.160 127.160 120.335 6.825 18942 8148 1 10 . 1 1 49 49 GLU C C 49 174.960 174.960 175.994 -1.034 18942 8149 1 10 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.535 -0.281 18942 8150 1 10 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.730 1.213 18942 8151 1 10 . 1 1 49 49 GLU H H 49 9.355 9.355 8.641 0.714 18942 8152 1 10 . 1 1 50 50 ASN N N 50 112.730 112.730 114.902 -2.172 18942 8153 1 10 . 1 1 50 50 ASN C C 50 174.229 174.229 173.089 1.140 18942 8154 1 10 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.278 -1.472 18942 8155 1 10 . 1 1 50 50 ASN CB C 50 41.127 41.127 42.301 -1.174 18942 8156 1 10 . 1 1 50 50 ASN H H 50 7.494 7.494 7.509 -0.015 18942 8157 1 10 . 1 1 51 51 VAL N N 51 118.965 118.965 120.533 -1.568 18942 8158 1 10 . 1 1 51 51 VAL C C 51 174.904 174.904 175.235 -0.331 18942 8159 1 10 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.646 1.084 18942 8160 1 10 . 1 1 51 51 VAL CB C 51 34.034 34.034 32.528 1.506 18942 8161 1 10 . 1 1 51 51 VAL H H 51 8.647 8.647 8.463 0.184 18942 8162 1 10 . 1 1 52 52 THR N N 52 122.865 122.865 123.476 -0.611 18942 8163 1 10 . 1 1 52 52 THR C C 52 173.383 173.383 173.363 0.020 18942 8164 1 10 . 1 1 52 52 THR CA C 52 61.809 61.809 61.355 0.454 18942 8165 1 10 . 1 1 52 52 THR CB C 52 71.943 71.943 70.060 1.883 18942 8166 1 10 . 1 1 52 52 THR H H 52 9.183 9.183 8.514 0.669 18942 8167 1 10 . 1 1 53 53 HIS N N 53 126.441 126.441 123.699 2.742 18942 8168 1 10 . 1 1 53 53 HIS C C 53 175.728 175.728 175.167 0.561 18942 8169 1 10 . 1 1 53 53 HIS CA C 53 57.162 57.162 53.734 3.428 18942 8170 1 10 . 1 1 53 53 HIS CB C 53 31.084 31.084 30.049 1.035 18942 8171 1 10 . 1 1 53 53 HIS H H 53 8.995 8.995 8.360 0.635 18942 8172 1 10 . 1 1 54 54 GLU N N 54 126.720 126.720 122.044 4.676 18942 8173 1 10 . 1 1 54 54 GLU C C 54 178.106 178.106 176.750 1.356 18942 8174 1 10 . 1 1 54 54 GLU CA C 54 57.886 57.886 58.061 -0.175 18942 8175 1 10 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.264 -1.694 18942 8176 1 10 . 1 1 54 54 GLU H H 54 8.901 8.901 8.740 0.161 18942 8177 1 10 . 1 1 55 55 PHE N N 55 106.460 106.460 120.832 -14.372 18942 8178 1 10 . 1 1 55 55 PHE C C 55 174.320 174.320 174.169 0.151 18942 8179 1 10 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.582 -0.538 18942 8180 1 10 . 1 1 55 55 PHE CB C 55 40.763 40.763 39.951 0.812 18942 8181 1 10 . 1 1 55 55 PHE H H 55 7.351 7.351 8.095 -0.744 18942 8182 1 10 . 1 1 56 56 ASN N N 56 119.296 119.296 124.732 -5.436 18942 8183 1 10 . 1 1 56 56 ASN CA C 56 52.079 52.079 53.401 -1.322 18942 8184 1 10 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.212 0.493 18942 8185 1 10 . 1 1 56 56 ASN H H 56 8.378 8.378 8.566 -0.188 18942 8186 1 10 . 1 1 57 57 LEU C C 57 175.843 175.843 177.751 -1.908 18942 8187 1 10 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.678 0.820 18942 8188 1 10 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.306 1.688 18942 8189 1 10 . 1 1 58 58 ASN N N 58 108.256 108.256 113.803 -5.547 18942 8190 1 10 . 1 1 58 58 ASN C C 58 177.051 177.051 175.574 1.477 18942 8191 1 10 . 1 1 58 58 ASN CA C 58 50.879 50.879 52.960 -2.081 18942 8192 1 10 . 1 1 58 58 ASN CB C 58 38.911 38.911 38.548 0.363 18942 8193 1 10 . 1 1 58 58 ASN H H 58 7.345 7.345 8.062 -0.717 18942 8194 1 10 . 1 1 59 59 LYS N N 59 121.550 121.550 119.541 2.009 18942 8195 1 10 . 1 1 59 59 LYS C C 59 176.380 176.380 176.138 0.242 18942 8196 1 10 . 1 1 59 59 LYS CA C 59 59.241 59.241 54.989 4.252 18942 8197 1 10 . 1 1 59 59 LYS CB C 59 32.863 32.863 31.930 0.932 18942 8198 1 10 . 1 1 59 59 LYS H H 59 7.793 7.793 7.392 0.401 18942 8199 1 10 . 1 1 60 60 TYR N N 60 115.388 115.388 118.758 -3.370 18942 8200 1 10 . 1 1 60 60 TYR C C 60 176.551 176.551 174.994 1.557 18942 8201 1 10 . 1 1 60 60 TYR CA C 60 56.785 56.785 58.098 -1.313 18942 8202 1 10 . 1 1 60 60 TYR CB C 60 40.587 40.587 38.929 1.658 18942 8203 1 10 . 1 1 60 60 TYR H H 60 8.838 8.838 7.580 1.258 18942 8204 1 10 . 1 1 61 61 SER N N 61 113.454 113.454 116.018 -2.564 18942 8205 1 10 . 1 1 61 61 SER C C 61 172.093 172.093 173.373 -1.280 18942 8206 1 10 . 1 1 61 61 SER CA C 61 57.686 57.686 58.159 -0.473 18942 8207 1 10 . 1 1 61 61 SER CB C 61 64.641 64.641 65.575 -0.934 18942 8208 1 10 . 1 1 61 61 SER H H 61 8.869 8.869 8.499 0.370 18942 8209 1 10 . 1 1 62 62 SER N N 62 110.923 110.923 112.812 -1.889 18942 8210 1 10 . 1 1 62 62 SER C C 62 174.355 174.355 174.379 -0.024 18942 8211 1 10 . 1 1 62 62 SER CA C 62 56.928 56.928 57.899 -0.971 18942 8212 1 10 . 1 1 62 62 SER CB C 62 67.154 67.154 64.609 2.546 18942 8213 1 10 . 1 1 62 62 SER H H 62 7.236 7.236 7.598 -0.362 18942 8214 1 10 . 1 1 63 63 THR N N 63 120.405 120.405 117.970 2.435 18942 8215 1 10 . 1 1 63 63 THR C C 63 175.543 175.543 176.134 -0.591 18942 8216 1 10 . 1 1 63 63 THR CA C 63 69.245 69.245 67.670 1.575 18942 8217 1 10 . 1 1 63 63 THR CB C 63 67.203 67.203 68.794 -1.591 18942 8218 1 10 . 1 1 63 63 THR H H 63 9.263 9.263 8.582 0.681 18942 8219 1 10 . 1 1 64 64 GLU N N 64 119.002 119.002 121.252 -2.250 18942 8220 1 10 . 1 1 64 64 GLU C C 64 178.754 178.754 178.414 0.340 18942 8221 1 10 . 1 1 64 64 GLU CA C 64 60.437 60.437 60.438 -0.001 18942 8222 1 10 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.195 0.271 18942 8223 1 10 . 1 1 64 64 GLU H H 64 8.873 8.873 8.744 0.129 18942 8224 1 10 . 1 1 65 65 GLU N N 65 114.467 114.467 118.930 -4.463 18942 8225 1 10 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.271 -0.220 18942 8226 1 10 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.674 1.664 18942 8227 1 10 . 1 1 65 65 GLU H H 65 7.299 7.299 7.662 -0.363 18942 8228 1 10 . 1 1 66 66 VAL N N 66 118.486 118.486 119.801 -1.315 18942 8229 1 10 . 1 1 66 66 VAL C C 66 176.723 176.723 178.104 -1.381 18942 8230 1 10 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.238 -0.220 18942 8231 1 10 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.718 -0.183 18942 8232 1 10 . 1 1 66 66 VAL H H 66 7.361 7.361 7.737 -0.376 18942 8233 1 10 . 1 1 67 67 LEU N N 67 119.314 119.314 121.884 -2.570 18942 8234 1 10 . 1 1 67 67 LEU C C 67 180.087 180.087 178.556 1.531 18942 8235 1 10 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.404 -0.404 18942 8236 1 10 . 1 1 67 67 LEU CB C 67 41.941 41.941 42.104 -0.163 18942 8237 1 10 . 1 1 67 67 LEU H H 67 8.154 8.154 8.388 -0.234 18942 8238 1 10 . 1 1 68 68 VAL N N 68 117.110 117.110 118.273 -1.163 18942 8239 1 10 . 1 1 68 68 VAL C C 68 179.736 179.736 177.330 2.406 18942 8240 1 10 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.659 0.534 18942 8241 1 10 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.732 0.464 18942 8242 1 10 . 1 1 68 68 VAL H H 68 7.110 7.110 8.401 -1.291 18942 8243 1 10 . 1 1 69 69 ALA N N 69 119.661 119.661 121.442 -1.781 18942 8244 1 10 . 1 1 69 69 ALA C C 69 181.653 181.653 179.029 2.624 18942 8245 1 10 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.864 0.216 18942 8246 1 10 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.158 2.922 18942 8247 1 10 . 1 1 69 69 ALA H H 69 6.970 6.970 7.779 -0.809 18942 8248 1 10 . 1 1 70 70 ALA N N 70 120.071 120.071 121.145 -1.074 18942 8249 1 10 . 1 1 70 70 ALA C C 70 178.758 178.758 178.996 -0.238 18942 8250 1 10 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.273 -0.170 18942 8251 1 10 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.618 -0.521 18942 8252 1 10 . 1 1 70 70 ALA H H 70 8.881 8.881 7.927 0.954 18942 8253 1 10 . 1 1 71 71 LYS N N 71 112.889 112.889 115.478 -2.589 18942 8254 1 10 . 1 1 71 71 LYS C C 71 177.551 177.551 178.287 -0.736 18942 8255 1 10 . 1 1 71 71 LYS CA C 71 58.190 58.190 58.148 0.042 18942 8256 1 10 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.199 0.638 18942 8257 1 10 . 1 1 71 71 LYS H H 71 7.124 7.124 7.633 -0.509 18942 8258 1 10 . 1 1 72 72 LYS N N 72 114.633 114.633 119.237 -4.604 18942 8259 1 10 . 1 1 72 72 LYS C C 72 176.789 176.789 177.043 -0.254 18942 8260 1 10 . 1 1 72 72 LYS CA C 72 55.865 55.865 57.619 -1.754 18942 8261 1 10 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.501 -0.094 18942 8262 1 10 . 1 1 72 72 LYS H H 72 7.150 7.150 7.556 -0.406 18942 8263 1 10 . 1 1 73 73 ILE N N 73 120.045 120.045 122.365 -2.320 18942 8264 1 10 . 1 1 73 73 ILE C C 73 176.494 176.494 175.225 1.269 18942 8265 1 10 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.659 1.370 18942 8266 1 10 . 1 1 73 73 ILE CB C 73 37.347 37.347 36.872 0.475 18942 8267 1 10 . 1 1 73 73 ILE H H 73 7.164 7.164 7.992 -0.828 18942 8268 1 10 . 1 1 74 74 VAL N N 74 126.199 126.199 122.251 3.948 18942 8269 1 10 . 1 1 74 74 VAL C C 74 174.021 174.021 174.421 -0.400 18942 8270 1 10 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.621 0.026 18942 8271 1 10 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.991 -0.018 18942 8272 1 10 . 1 1 74 74 VAL H H 74 8.174 8.174 7.588 0.586 18942 8273 1 10 . 1 1 75 75 GLN N N 75 123.009 123.009 122.487 0.522 18942 8274 1 10 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.978 0.500 18942 8275 1 10 . 1 1 75 75 GLN CB C 75 27.131 27.131 28.916 -1.785 18942 8276 1 10 . 1 1 75 75 GLN H H 75 7.569 7.569 7.014 0.555 18942 8277 1 10 . 1 1 76 76 ARG N N 76 129.740 129.740 123.254 6.486 18942 8278 1 10 . 1 1 76 76 ARG C C 76 178.628 178.628 176.019 2.609 18942 8279 1 10 . 1 1 76 76 ARG CA C 76 57.917 57.917 56.172 1.745 18942 8280 1 10 . 1 1 76 76 ARG CB C 76 29.779 29.779 31.092 -1.313 18942 8281 1 10 . 1 1 76 76 ARG H H 76 9.670 9.670 8.622 1.048 18942 8282 1 10 . 1 1 77 77 GLY N N 77 106.443 106.443 106.020 0.423 18942 8283 1 10 . 1 1 77 77 GLY C C 77 174.221 174.221 172.533 1.688 18942 8284 1 10 . 1 1 77 77 GLY CA C 77 44.916 44.916 45.158 -0.242 18942 8285 1 10 . 1 1 77 77 GLY H H 77 7.360 7.360 7.463 -0.103 18942 8286 1 10 . 1 1 78 78 GLY N N 78 103.622 103.622 107.986 -4.364 18942 8287 1 10 . 1 1 78 78 GLY C C 78 172.710 172.710 173.203 -0.493 18942 8288 1 10 . 1 1 78 78 GLY CA C 78 46.986 46.986 45.289 1.697 18942 8289 1 10 . 1 1 78 78 GLY H H 78 7.851 7.851 8.265 -0.414 18942 8290 1 10 . 1 1 79 79 ARG N N 79 124.452 124.452 119.735 4.717 18942 8291 1 10 . 1 1 79 79 ARG C C 79 174.484 174.484 174.890 -0.406 18942 8292 1 10 . 1 1 79 79 ARG CA C 79 57.437 57.437 55.466 1.971 18942 8293 1 10 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.544 -1.206 18942 8294 1 10 . 1 1 79 79 ARG H H 79 9.952 9.952 9.138 0.814 18942 8295 1 10 . 1 1 80 80 GLN N N 80 113.887 113.887 118.503 -4.616 18942 8296 1 10 . 1 1 80 80 GLN C C 80 173.824 173.824 174.144 -0.320 18942 8297 1 10 . 1 1 80 80 GLN CA C 80 55.041 55.041 55.093 -0.052 18942 8298 1 10 . 1 1 80 80 GLN CB C 80 35.655 35.655 32.708 2.947 18942 8299 1 10 . 1 1 80 80 GLN H H 80 7.411 7.411 7.817 -0.406 18942 8300 1 10 . 1 1 81 81 THR N N 81 117.791 117.791 123.798 -6.007 18942 8301 1 10 . 1 1 81 81 THR C C 81 175.393 175.393 173.183 2.210 18942 8302 1 10 . 1 1 81 81 THR CA C 81 62.222 62.222 62.102 0.120 18942 8303 1 10 . 1 1 81 81 THR CB C 81 71.140 71.140 69.429 1.711 18942 8304 1 10 . 1 1 81 81 THR H H 81 11.198 11.198 9.417 1.781 18942 8305 1 10 . 1 1 82 82 MET N N 82 128.338 128.338 128.232 0.106 18942 8306 1 10 . 1 1 82 82 MET C C 82 175.011 175.011 175.765 -0.754 18942 8307 1 10 . 1 1 82 82 MET CA C 82 52.078 52.078 52.385 -0.306 18942 8308 1 10 . 1 1 82 82 MET CB C 82 29.146 29.146 32.874 -3.728 18942 8309 1 10 . 1 1 82 82 MET H H 82 8.679 8.679 9.240 -0.561 18942 8310 1 10 . 1 1 83 83 THR N N 83 120.032 120.032 120.828 -0.796 18942 8311 1 10 . 1 1 83 83 THR C C 83 175.014 175.014 175.532 -0.518 18942 8312 1 10 . 1 1 83 83 THR CA C 83 65.627 65.627 66.824 -1.197 18942 8313 1 10 . 1 1 83 83 THR CB C 83 69.254 69.254 68.791 0.463 18942 8314 1 10 . 1 1 83 83 THR H H 83 6.986 6.986 8.662 -1.676 18942 8315 1 10 . 1 1 84 84 ALA N N 84 126.207 126.207 123.652 2.555 18942 8316 1 10 . 1 1 84 84 ALA C C 84 179.500 179.500 178.997 0.503 18942 8317 1 10 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.963 1.106 18942 8318 1 10 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.131 -1.401 18942 8319 1 10 . 1 1 84 84 ALA H H 84 10.069 10.069 8.198 1.871 18942 8320 1 10 . 1 1 85 85 LEU N N 85 119.501 119.501 119.910 -0.409 18942 8321 1 10 . 1 1 85 85 LEU C C 85 181.098 181.098 179.003 2.095 18942 8322 1 10 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.465 0.441 18942 8323 1 10 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.620 0.148 18942 8324 1 10 . 1 1 85 85 LEU H H 85 8.166 8.166 7.440 0.726 18942 8325 1 10 . 1 1 86 86 GLY N N 86 110.546 110.546 107.885 2.661 18942 8326 1 10 . 1 1 86 86 GLY C C 86 174.135 174.135 176.015 -1.880 18942 8327 1 10 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.218 0.105 18942 8328 1 10 . 1 1 86 86 GLY H H 86 8.720 8.720 8.092 0.628 18942 8329 1 10 . 1 1 87 87 ILE N N 87 120.213 120.213 122.200 -1.987 18942 8330 1 10 . 1 1 87 87 ILE C C 87 177.503 177.503 177.393 0.110 18942 8331 1 10 . 1 1 87 87 ILE CA C 87 66.253 66.253 65.361 0.892 18942 8332 1 10 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.758 1.153 18942 8333 1 10 . 1 1 87 87 ILE H H 87 8.141 8.141 8.182 -0.041 18942 8334 1 10 . 1 1 88 88 ASP N N 88 118.326 118.326 120.187 -1.861 18942 8335 1 10 . 1 1 88 88 ASP C C 88 178.751 178.751 178.664 0.087 18942 8336 1 10 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.577 -0.008 18942 8337 1 10 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.961 2.287 18942 8338 1 10 . 1 1 88 88 ASP H H 88 8.512 8.512 8.433 0.079 18942 8339 1 10 . 1 1 89 89 THR N N 89 112.028 112.028 116.146 -4.118 18942 8340 1 10 . 1 1 89 89 THR C C 89 176.400 176.400 176.263 0.137 18942 8341 1 10 . 1 1 89 89 THR CA C 89 68.345 68.345 65.540 2.805 18942 8342 1 10 . 1 1 89 89 THR CB C 89 67.082 67.082 69.037 -1.955 18942 8343 1 10 . 1 1 89 89 THR H H 89 8.470 8.470 8.225 0.245 18942 8344 1 10 . 1 1 90 90 ALA N N 90 124.209 124.209 124.817 -0.608 18942 8345 1 10 . 1 1 90 90 ALA C C 90 178.756 178.756 178.860 -0.104 18942 8346 1 10 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.327 0.689 18942 8347 1 10 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.313 0.696 18942 8348 1 10 . 1 1 90 90 ALA H H 90 8.159 8.159 8.438 -0.279 18942 8349 1 10 . 1 1 91 91 ARG N N 91 116.481 116.481 115.642 0.839 18942 8350 1 10 . 1 1 91 91 ARG C C 91 177.990 177.990 177.201 0.789 18942 8351 1 10 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.816 1.913 18942 8352 1 10 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.323 -0.405 18942 8353 1 10 . 1 1 91 91 ARG H H 91 8.479 8.479 8.037 0.442 18942 8354 1 10 . 1 1 92 92 LYS N N 92 113.675 113.675 116.189 -2.514 18942 8355 1 10 . 1 1 92 92 LYS C C 92 178.208 178.208 176.833 1.375 18942 8356 1 10 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.471 1.509 18942 8357 1 10 . 1 1 92 92 LYS CB C 92 34.233 34.233 32.815 1.418 18942 8358 1 10 . 1 1 92 92 LYS H H 92 8.073 8.073 7.376 0.697 18942 8359 1 10 . 1 1 93 93 GLU N N 93 112.950 112.950 118.632 -5.682 18942 8360 1 10 . 1 1 93 93 GLU C C 93 178.160 178.160 177.858 0.302 18942 8361 1 10 . 1 1 93 93 GLU CA C 93 57.300 57.300 58.079 -0.779 18942 8362 1 10 . 1 1 93 93 GLU CB C 93 33.059 33.059 31.317 1.742 18942 8363 1 10 . 1 1 93 93 GLU H H 93 8.678 8.678 8.149 0.529 18942 8364 1 10 . 1 1 94 94 ALA N N 94 119.150 119.150 124.028 -4.878 18942 8365 1 10 . 1 1 94 94 ALA C C 94 177.262 177.262 179.594 -2.332 18942 8366 1 10 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.702 0.409 18942 8367 1 10 . 1 1 94 94 ALA CB C 94 20.213 20.213 18.954 1.259 18942 8368 1 10 . 1 1 94 94 ALA H H 94 8.529 8.529 7.764 0.765 18942 8369 1 10 . 1 1 95 95 PHE N N 95 111.282 111.282 118.492 -7.210 18942 8370 1 10 . 1 1 95 95 PHE C C 95 175.308 175.308 175.050 0.258 18942 8371 1 10 . 1 1 95 95 PHE CA C 95 56.984 56.984 55.934 1.050 18942 8372 1 10 . 1 1 95 95 PHE CB C 95 37.965 37.965 36.621 1.344 18942 8373 1 10 . 1 1 95 95 PHE H H 95 6.981 6.981 8.206 -1.225 18942 8374 1 10 . 1 1 96 96 THR N N 96 106.274 106.274 110.545 -4.271 18942 8375 1 10 . 1 1 96 96 THR CA C 96 59.540 59.540 59.702 -0.162 18942 8376 1 10 . 1 1 96 96 THR CB C 96 71.910 71.910 72.092 -0.182 18942 8377 1 10 . 1 1 96 96 THR H H 96 6.842 6.842 7.737 -0.895 18942 8378 1 10 . 1 1 98 98 ALA C C 98 179.284 179.284 179.134 0.150 18942 8379 1 10 . 1 1 98 98 ALA CA C 98 55.021 55.021 53.779 1.242 18942 8380 1 10 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.499 0.157 18942 8381 1 10 . 1 1 99 99 ARG N N 99 114.439 114.439 117.478 -3.039 18942 8382 1 10 . 1 1 99 99 ARG C C 99 174.052 174.052 176.418 -2.366 18942 8383 1 10 . 1 1 99 99 ARG CA C 99 56.715 56.715 55.493 1.222 18942 8384 1 10 . 1 1 99 99 ARG CB C 99 30.274 30.274 31.055 -0.781 18942 8385 1 10 . 1 1 99 99 ARG H H 99 7.061 7.061 7.648 -0.587 18942 8386 1 10 . 1 1 100 100 GLY N N 100 101.608 101.608 104.409 -2.801 18942 8387 1 10 . 1 1 100 100 GLY C C 100 174.164 174.164 173.366 0.798 18942 8388 1 10 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.552 1.158 18942 8389 1 10 . 1 1 100 100 GLY H H 100 7.496 7.496 7.767 -0.271 18942 8390 1 10 . 1 1 101 101 ALA N N 101 123.007 123.007 124.347 -1.340 18942 8391 1 10 . 1 1 101 101 ALA C C 101 177.955 177.955 176.871 1.084 18942 8392 1 10 . 1 1 101 101 ALA CA C 101 53.120 53.120 52.394 0.726 18942 8393 1 10 . 1 1 101 101 ALA CB C 101 18.525 18.525 19.822 -1.297 18942 8394 1 10 . 1 1 101 101 ALA H H 101 7.691 7.691 8.023 -0.332 18942 8395 1 10 . 1 1 102 102 ARG N N 102 124.837 124.837 122.626 2.211 18942 8396 1 10 . 1 1 102 102 ARG C C 102 176.459 176.459 175.971 0.488 18942 8397 1 10 . 1 1 102 102 ARG CA C 102 55.186 55.186 53.865 1.321 18942 8398 1 10 . 1 1 102 102 ARG CB C 102 32.273 32.273 31.701 0.572 18942 8399 1 10 . 1 1 102 102 ARG H H 102 9.456 9.456 9.477 -0.021 18942 8400 1 10 . 1 1 103 103 ARG N N 103 123.729 123.729 122.580 1.149 18942 8401 1 10 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.353 1.440 18942 8402 1 10 . 1 1 103 103 ARG CB C 103 30.039 30.039 30.058 -0.019 18942 8403 1 10 . 1 1 103 103 ARG H H 103 8.520 8.520 8.547 -0.027 18942 8404 1 10 . 1 1 104 104 GLY N N 104 108.061 108.061 112.526 -4.465 18942 8405 1 10 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.857 1.052 18942 8406 1 10 . 1 1 104 104 GLY H H 104 8.345 8.345 8.747 -0.402 18942 8407 1 10 . 1 1 105 105 VAL N N 105 118.807 118.807 117.825 0.982 18942 8408 1 10 . 1 1 105 105 VAL C C 105 176.102 176.102 174.805 1.297 18942 8409 1 10 . 1 1 105 105 VAL CA C 105 61.805 61.805 59.578 2.227 18942 8410 1 10 . 1 1 105 105 VAL CB C 105 31.820 31.820 34.543 -2.723 18942 8411 1 10 . 1 1 105 105 VAL H H 105 7.298 7.298 7.663 -0.365 18942 8412 1 10 . 1 1 106 106 LYS N N 106 127.841 127.841 125.094 2.747 18942 8413 1 10 . 1 1 106 106 LYS C C 106 174.143 174.143 175.730 -1.587 18942 8414 1 10 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.754 0.893 18942 8415 1 10 . 1 1 106 106 LYS CB C 106 33.387 33.387 31.883 1.504 18942 8416 1 10 . 1 1 106 106 LYS H H 106 8.288 8.288 8.640 -0.352 18942 8417 1 10 . 1 1 107 107 LYS N N 107 122.939 122.939 125.190 -2.251 18942 8418 1 10 . 1 1 107 107 LYS C C 107 176.540 176.540 175.739 0.801 18942 8419 1 10 . 1 1 107 107 LYS CA C 107 55.587 55.587 55.096 0.491 18942 8420 1 10 . 1 1 107 107 LYS CB C 107 35.607 35.607 33.040 2.567 18942 8421 1 10 . 1 1 107 107 LYS H H 107 8.401 8.401 8.260 0.141 18942 8422 1 10 . 1 1 108 108 VAL N N 108 122.376 122.376 125.423 -3.047 18942 8423 1 10 . 1 1 108 108 VAL C C 108 174.507 174.507 174.792 -0.285 18942 8424 1 10 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.569 -0.558 18942 8425 1 10 . 1 1 108 108 VAL CB C 108 36.923 36.923 35.025 1.898 18942 8426 1 10 . 1 1 108 108 VAL H H 108 8.940 8.940 9.141 -0.201 18942 8427 1 10 . 1 1 109 109 MET N N 109 124.377 124.377 126.136 -1.759 18942 8428 1 10 . 1 1 109 109 MET C C 109 175.232 175.232 174.914 0.318 18942 8429 1 10 . 1 1 109 109 MET CA C 109 54.123 54.123 54.617 -0.494 18942 8430 1 10 . 1 1 109 109 MET CB C 109 39.360 39.360 34.837 4.523 18942 8431 1 10 . 1 1 109 109 MET H H 109 9.599 9.599 9.288 0.311 18942 8432 1 10 . 1 1 110 110 VAL N N 110 123.296 123.296 125.535 -2.239 18942 8433 1 10 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.725 -0.527 18942 8434 1 10 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.265 0.910 18942 8435 1 10 . 1 1 110 110 VAL H H 110 8.484 8.484 9.204 -0.720 18942 8436 1 10 . 1 1 111 111 ILE N N 111 128.689 128.689 127.809 0.880 18942 8437 1 10 . 1 1 111 111 ILE C C 111 173.965 173.965 174.607 -0.642 18942 8438 1 10 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.792 1.545 18942 8439 1 10 . 1 1 111 111 ILE CB C 111 41.289 41.289 40.976 0.313 18942 8440 1 10 . 1 1 111 111 ILE H H 111 9.330 9.330 8.775 0.555 18942 8441 1 10 . 1 1 112 112 VAL N N 112 127.498 127.498 127.121 0.377 18942 8442 1 10 . 1 1 112 112 VAL C C 112 174.932 174.932 174.601 0.331 18942 8443 1 10 . 1 1 112 112 VAL CA C 112 60.642 60.642 59.775 0.867 18942 8444 1 10 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.248 -1.058 18942 8445 1 10 . 1 1 112 112 VAL H H 112 8.376 8.376 8.712 -0.336 18942 8446 1 10 . 1 1 113 113 THR N N 113 116.756 116.756 122.200 -5.444 18942 8447 1 10 . 1 1 113 113 THR C C 113 170.881 170.881 173.527 -2.646 18942 8448 1 10 . 1 1 113 113 THR CA C 113 60.693 60.693 60.892 -0.199 18942 8449 1 10 . 1 1 113 113 THR CB C 113 67.772 67.772 71.770 -3.998 18942 8450 1 10 . 1 1 113 113 THR H H 113 8.521 8.521 8.836 -0.315 18942 8451 1 10 . 1 1 114 114 ASP N N 114 122.719 122.719 122.360 0.359 18942 8452 1 10 . 1 1 114 114 ASP C C 114 177.015 177.015 176.506 0.509 18942 8453 1 10 . 1 1 114 114 ASP CA C 114 54.041 54.041 54.326 -0.285 18942 8454 1 10 . 1 1 114 114 ASP CB C 114 42.671 42.671 41.719 0.952 18942 8455 1 10 . 1 1 114 114 ASP H H 114 7.341 7.341 8.687 -1.346 18942 8456 1 10 . 1 1 115 115 GLY N N 115 103.370 103.370 107.499 -4.129 18942 8457 1 10 . 1 1 115 115 GLY C C 115 171.751 171.751 172.468 -0.717 18942 8458 1 10 . 1 1 115 115 GLY CA C 115 46.670 46.670 44.928 1.742 18942 8459 1 10 . 1 1 115 115 GLY H H 115 7.312 7.312 7.992 -0.680 18942 8460 1 10 . 1 1 116 116 GLU N N 116 120.631 120.631 120.593 0.038 18942 8461 1 10 . 1 1 116 116 GLU C C 116 175.037 175.037 174.111 0.926 18942 8462 1 10 . 1 1 116 116 GLU CA C 116 54.252 54.252 54.824 -0.572 18942 8463 1 10 . 1 1 116 116 GLU CB C 116 27.313 27.313 32.402 -5.089 18942 8464 1 10 . 1 1 116 116 GLU H H 116 7.332 7.332 8.103 -0.771 18942 8465 1 10 . 1 1 117 117 SER N N 117 116.730 116.730 118.419 -1.689 18942 8466 1 10 . 1 1 117 117 SER C C 117 176.356 176.356 173.662 2.694 18942 8467 1 10 . 1 1 117 117 SER CA C 117 57.832 57.832 57.991 -0.159 18942 8468 1 10 . 1 1 117 117 SER CB C 117 66.407 66.407 64.114 2.293 18942 8469 1 10 . 1 1 117 117 SER H H 117 7.964 7.964 8.587 -0.623 18942 8470 1 10 . 1 1 118 118 HIS N N 118 115.543 115.543 122.459 -6.916 18942 8471 1 10 . 1 1 118 118 HIS C C 118 176.602 176.602 174.779 1.823 18942 8472 1 10 . 1 1 118 118 HIS CA C 118 59.291 59.291 57.949 1.342 18942 8473 1 10 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.517 2.302 18942 8474 1 10 . 1 1 118 118 HIS H H 118 9.274 9.274 8.400 0.874 18942 8475 1 10 . 1 1 119 119 ASP N N 119 120.197 120.197 117.534 2.663 18942 8476 1 10 . 1 1 119 119 ASP CA C 119 52.565 52.565 52.733 -0.168 18942 8477 1 10 . 1 1 119 119 ASP CB C 119 40.309 40.309 41.538 -1.229 18942 8478 1 10 . 1 1 119 119 ASP H H 119 8.160 8.160 8.058 0.102 18942 8479 1 10 . 1 1 120 120 ASN CA C 120 56.154 56.154 54.157 1.998 18942 8480 1 10 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.349 -0.210 18942 8481 1 10 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.037 -1.566 18942 8482 1 10 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.628 -0.118 18942 8483 1 10 . 1 1 122 122 ARG N N 122 117.636 117.636 119.927 -2.291 18942 8484 1 10 . 1 1 122 122 ARG CA C 122 55.611 55.611 58.871 -3.260 18942 8485 1 10 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.232 1.554 18942 8486 1 10 . 1 1 122 122 ARG H H 122 7.299 7.299 7.864 -0.565 18942 8487 1 10 . 1 1 123 123 LEU N N 123 119.507 119.507 121.166 -1.659 18942 8488 1 10 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.239 0.232 18942 8489 1 10 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.355 0.821 18942 8490 1 10 . 1 1 123 123 LEU H H 123 7.065 7.065 7.852 -0.787 18942 8491 1 10 . 1 1 124 124 LYS N N 124 116.723 116.723 118.243 -1.520 18942 8492 1 10 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.035 1.438 18942 8493 1 10 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.769 0.106 18942 8494 1 10 . 1 1 124 124 LYS H H 124 8.426 8.426 7.825 0.601 18942 8495 1 10 . 1 1 125 125 LYS N N 125 119.329 119.329 120.363 -1.034 18942 8496 1 10 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.409 -0.057 18942 8497 1 10 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.207 -0.723 18942 8498 1 10 . 1 1 125 125 LYS H H 125 7.746 7.746 7.458 0.288 18942 8499 1 10 . 1 1 126 126 VAL N N 126 117.688 117.688 120.028 -2.340 18942 8500 1 10 . 1 1 126 126 VAL C C 126 178.187 178.187 178.448 -0.261 18942 8501 1 10 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.859 -0.717 18942 8502 1 10 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.744 0.232 18942 8503 1 10 . 1 1 126 126 VAL H H 126 7.450 7.450 8.561 -1.111 18942 8504 1 10 . 1 1 127 127 ILE N N 127 120.125 120.125 120.678 -0.553 18942 8505 1 10 . 1 1 127 127 ILE C C 127 178.008 178.008 176.994 1.014 18942 8506 1 10 . 1 1 127 127 ILE CA C 127 63.283 63.283 63.167 0.116 18942 8507 1 10 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.833 -2.464 18942 8508 1 10 . 1 1 127 127 ILE H H 127 8.653 8.653 8.482 0.171 18942 8509 1 10 . 1 1 128 128 GLN N N 128 121.110 121.110 120.194 0.916 18942 8510 1 10 . 1 1 128 128 GLN C C 128 178.258 178.258 178.048 0.210 18942 8511 1 10 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.426 -0.629 18942 8512 1 10 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.330 -0.825 18942 8513 1 10 . 1 1 128 128 GLN H H 128 8.009 8.009 7.790 0.219 18942 8514 1 10 . 1 1 129 129 ASP N N 129 119.024 119.024 120.949 -1.925 18942 8515 1 10 . 1 1 129 129 ASP C C 129 179.705 179.705 178.661 1.044 18942 8516 1 10 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.543 0.519 18942 8517 1 10 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.467 -0.690 18942 8518 1 10 . 1 1 129 129 ASP H H 129 8.428 8.428 8.138 0.290 18942 8519 1 10 . 1 1 130 130 CYS N N 130 115.536 115.536 117.950 -2.414 18942 8520 1 10 . 1 1 130 130 CYS C C 130 176.824 176.824 176.277 0.547 18942 8521 1 10 . 1 1 130 130 CYS CA C 130 64.211 64.211 63.654 0.557 18942 8522 1 10 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.658 0.112 18942 8523 1 10 . 1 1 130 130 CYS H H 130 7.608 7.608 8.245 -0.637 18942 8524 1 10 . 1 1 131 131 GLU N N 131 123.098 123.098 121.349 1.749 18942 8525 1 10 . 1 1 131 131 GLU C C 131 180.904 180.904 177.977 2.927 18942 8526 1 10 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.492 -0.482 18942 8527 1 10 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.495 -0.077 18942 8528 1 10 . 1 1 131 131 GLU H H 131 8.538 8.538 8.250 0.288 18942 8529 1 10 . 1 1 132 132 ASP N N 132 121.058 121.058 119.032 2.026 18942 8530 1 10 . 1 1 132 132 ASP C C 132 177.666 177.666 178.283 -0.617 18942 8531 1 10 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.545 0.457 18942 8532 1 10 . 1 1 132 132 ASP CB C 132 40.439 40.439 41.157 -0.718 18942 8533 1 10 . 1 1 132 132 ASP H H 132 8.844 8.844 7.833 1.011 18942 8534 1 10 . 1 1 133 133 GLU N N 133 116.312 116.312 116.115 0.197 18942 8535 1 10 . 1 1 133 133 GLU C C 133 174.841 174.841 175.766 -0.925 18942 8536 1 10 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.572 -0.274 18942 8537 1 10 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.159 0.107 18942 8538 1 10 . 1 1 133 133 GLU H H 133 6.997 6.997 7.753 -0.756 18942 8539 1 10 . 1 1 134 134 ASN N N 134 113.879 113.879 116.036 -2.157 18942 8540 1 10 . 1 1 134 134 ASN C C 134 174.994 174.994 174.340 0.654 18942 8541 1 10 . 1 1 134 134 ASN CA C 134 54.449 54.449 54.283 0.166 18942 8542 1 10 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.786 0.361 18942 8543 1 10 . 1 1 134 134 ASN H H 134 8.069 8.069 7.812 0.257 18942 8544 1 10 . 1 1 135 135 ILE N N 135 118.502 118.502 119.453 -0.951 18942 8545 1 10 . 1 1 135 135 ILE C C 135 175.226 175.226 175.612 -0.386 18942 8546 1 10 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.669 -0.383 18942 8547 1 10 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.264 -0.208 18942 8548 1 10 . 1 1 135 135 ILE H H 135 7.583 7.583 8.263 -0.680 18942 8549 1 10 . 1 1 136 136 GLN N N 136 131.359 131.359 125.192 6.167 18942 8550 1 10 . 1 1 136 136 GLN C C 136 174.743 174.743 174.434 0.309 18942 8551 1 10 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.157 0.931 18942 8552 1 10 . 1 1 136 136 GLN CB C 136 29.385 29.385 29.307 0.078 18942 8553 1 10 . 1 1 136 136 GLN H H 136 7.950 7.950 8.208 -0.258 18942 8554 1 10 . 1 1 137 137 ARG N N 137 124.191 124.191 123.738 0.453 18942 8555 1 10 . 1 1 137 137 ARG C C 137 175.598 175.598 175.164 0.434 18942 8556 1 10 . 1 1 137 137 ARG CA C 137 54.853 54.853 54.986 -0.133 18942 8557 1 10 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.974 -1.854 18942 8558 1 10 . 1 1 137 137 ARG H H 137 9.182 9.182 8.557 0.625 18942 8559 1 10 . 1 1 138 138 PHE N N 138 121.323 121.323 122.982 -1.659 18942 8560 1 10 . 1 1 138 138 PHE C C 138 175.241 175.241 174.902 0.339 18942 8561 1 10 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.260 0.381 18942 8562 1 10 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.752 -0.358 18942 8563 1 10 . 1 1 138 138 PHE H H 138 9.214 9.214 9.093 0.121 18942 8564 1 10 . 1 1 139 139 SER N N 139 118.044 118.044 117.445 0.599 18942 8565 1 10 . 1 1 139 139 SER C C 139 171.137 171.137 173.414 -2.277 18942 8566 1 10 . 1 1 139 139 SER CA C 139 55.777 55.777 56.416 -0.638 18942 8567 1 10 . 1 1 139 139 SER CB C 139 66.783 66.783 64.845 1.938 18942 8568 1 10 . 1 1 139 139 SER H H 139 9.601 9.601 8.958 0.643 18942 8569 1 10 . 1 1 140 140 ILE N N 140 123.236 123.236 126.642 -3.406 18942 8570 1 10 . 1 1 140 140 ILE C C 140 174.822 174.822 174.122 0.700 18942 8571 1 10 . 1 1 140 140 ILE CA C 140 56.556 56.556 57.793 -1.237 18942 8572 1 10 . 1 1 140 140 ILE CB C 140 37.629 37.629 39.248 -1.619 18942 8573 1 10 . 1 1 140 140 ILE H H 140 9.066 9.066 8.700 0.366 18942 8574 1 10 . 1 1 141 141 ALA N N 141 125.375 125.375 129.327 -3.952 18942 8575 1 10 . 1 1 141 141 ALA C C 141 177.131 177.131 175.438 1.693 18942 8576 1 10 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.625 1.492 18942 8577 1 10 . 1 1 141 141 ALA CB C 141 21.403 21.403 22.314 -0.911 18942 8578 1 10 . 1 1 141 141 ALA H H 141 8.790 8.790 8.762 0.028 18942 8579 1 10 . 1 1 142 142 ILE N N 142 123.744 123.744 125.143 -1.399 18942 8580 1 10 . 1 1 142 142 ILE C C 142 174.758 174.758 174.051 0.707 18942 8581 1 10 . 1 1 142 142 ILE CA C 142 58.193 58.193 59.869 -1.676 18942 8582 1 10 . 1 1 142 142 ILE CB C 142 39.082 39.082 39.839 -0.757 18942 8583 1 10 . 1 1 142 142 ILE H H 142 7.973 7.973 7.888 0.085 18942 8584 1 10 . 1 1 143 143 LEU N N 143 123.041 123.041 125.590 -2.549 18942 8585 1 10 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.565 1.407 18942 8586 1 10 . 1 1 143 143 LEU CB C 143 43.790 43.790 45.249 -1.459 18942 8587 1 10 . 1 1 143 143 LEU H H 143 8.019 8.019 7.970 0.049 18942 8588 1 10 . 1 1 144 144 GLY N N 144 108.993 108.993 106.031 2.962 18942 8589 1 10 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.383 1.856 18942 8590 1 10 . 1 1 144 144 GLY H H 144 8.581 8.581 8.131 0.450 18942 8591 1 10 . 1 1 145 145 SER N N 145 114.953 114.953 115.949 -0.996 18942 8592 1 10 . 1 1 145 145 SER CA C 145 58.614 58.614 59.642 -1.028 18942 8593 1 10 . 1 1 145 145 SER CB C 145 63.966 63.966 63.158 0.808 18942 8594 1 10 . 1 1 145 145 SER H H 145 8.589 8.589 8.594 -0.005 18942 8595 1 10 . 1 1 146 146 TYR N N 146 117.249 117.249 122.195 -4.946 18942 8596 1 10 . 1 1 146 146 TYR CA C 146 56.684 56.684 56.586 0.098 18942 8597 1 10 . 1 1 146 146 TYR CB C 146 39.174 39.174 36.464 2.710 18942 8598 1 10 . 1 1 146 146 TYR H H 146 7.476 7.476 8.040 -0.564 18942 8599 1 10 . 1 1 147 147 ASN CA C 147 53.886 53.886 52.530 1.356 18942 8600 1 10 . 1 1 147 147 ASN CB C 147 38.657 38.657 39.363 -0.706 18942 8601 1 10 . 1 1 148 148 ARG N N 148 123.288 123.288 126.268 -2.980 18942 8602 1 10 . 1 1 148 148 ARG CA C 148 55.535 55.535 55.349 0.186 18942 8603 1 10 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.772 -0.008 18942 8604 1 10 . 1 1 148 148 ARG H H 148 8.404 8.404 8.787 -0.383 18942 8605 1 10 . 1 1 149 149 GLY N N 149 107.339 107.339 110.353 -3.014 18942 8606 1 10 . 1 1 149 149 GLY CA C 149 45.929 45.929 45.282 0.647 18942 8607 1 10 . 1 1 149 149 GLY H H 149 8.224 8.224 8.337 -0.113 18942 8608 1 10 . 1 1 150 150 ASN N N 150 119.090 119.090 124.558 -5.468 18942 8609 1 10 . 1 1 150 150 ASN C C 150 175.341 175.341 176.260 -0.919 18942 8610 1 10 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.459 0.928 18942 8611 1 10 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.293 1.413 18942 8612 1 10 . 1 1 150 150 ASN H H 150 8.309 8.309 8.936 -0.627 18942 8613 1 10 . 1 1 151 151 LEU N N 151 121.177 121.177 119.705 1.472 18942 8614 1 10 . 1 1 151 151 LEU C C 151 177.527 177.527 176.823 0.704 18942 8615 1 10 . 1 1 151 151 LEU CA C 151 55.737 55.737 55.041 0.696 18942 8616 1 10 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.285 0.388 18942 8617 1 10 . 1 1 151 151 LEU H H 151 7.929 7.929 7.926 0.003 18942 8618 1 10 . 1 1 152 152 SER N N 152 115.325 115.325 113.417 1.908 18942 8619 1 10 . 1 1 152 152 SER C C 152 175.354 175.354 175.655 -0.301 18942 8620 1 10 . 1 1 152 152 SER CA C 152 57.739 57.739 58.928 -1.189 18942 8621 1 10 . 1 1 152 152 SER CB C 152 63.247 63.247 61.596 1.651 18942 8622 1 10 . 1 1 152 152 SER H H 152 8.185 8.185 8.020 0.165 18942 8623 1 10 . 1 1 153 153 THR N N 153 115.287 115.287 115.105 0.182 18942 8624 1 10 . 1 1 153 153 THR C C 153 175.758 175.758 176.169 -0.411 18942 8625 1 10 . 1 1 153 153 THR CA C 153 63.577 63.577 66.113 -2.536 18942 8626 1 10 . 1 1 153 153 THR CB C 153 69.280 69.280 68.797 0.483 18942 8627 1 10 . 1 1 153 153 THR H H 153 8.134 8.134 8.668 -0.534 18942 8628 1 10 . 1 1 154 154 GLU N N 154 121.501 121.501 121.107 0.394 18942 8629 1 10 . 1 1 154 154 GLU C C 154 178.589 178.589 178.468 0.121 18942 8630 1 10 . 1 1 154 154 GLU CA C 154 59.978 59.978 58.953 1.025 18942 8631 1 10 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.323 1.025 18942 8632 1 10 . 1 1 154 154 GLU H H 154 8.342 8.342 8.611 -0.269 18942 8633 1 10 . 1 1 155 155 LYS N N 155 117.473 117.473 118.496 -1.023 18942 8634 1 10 . 1 1 155 155 LYS C C 155 179.039 179.039 178.539 0.500 18942 8635 1 10 . 1 1 155 155 LYS CA C 155 58.776 58.776 57.511 1.265 18942 8636 1 10 . 1 1 155 155 LYS CB C 155 31.843 31.843 32.091 -0.248 18942 8637 1 10 . 1 1 155 155 LYS H H 155 7.752 7.752 7.662 0.090 18942 8638 1 10 . 1 1 156 156 PHE N N 156 120.254 120.254 118.713 1.541 18942 8639 1 10 . 1 1 156 156 PHE C C 156 178.765 178.765 177.537 1.228 18942 8640 1 10 . 1 1 156 156 PHE CA C 156 57.339 57.339 60.650 -3.311 18942 8641 1 10 . 1 1 156 156 PHE CB C 156 37.037 37.037 40.084 -3.047 18942 8642 1 10 . 1 1 156 156 PHE H H 156 7.072 7.072 7.522 -0.450 18942 8643 1 10 . 1 1 157 157 VAL N N 157 118.268 118.268 119.364 -1.096 18942 8644 1 10 . 1 1 157 157 VAL C C 157 177.861 177.861 177.506 0.355 18942 8645 1 10 . 1 1 157 157 VAL CA C 157 67.455 67.455 66.395 1.060 18942 8646 1 10 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.723 0.140 18942 8647 1 10 . 1 1 157 157 VAL H H 157 8.007 8.007 8.688 -0.681 18942 8648 1 10 . 1 1 158 158 GLU N N 158 117.100 117.100 119.592 -2.492 18942 8649 1 10 . 1 1 158 158 GLU C C 158 179.377 179.377 178.417 0.960 18942 8650 1 10 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.672 -0.181 18942 8651 1 10 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.583 0.763 18942 8652 1 10 . 1 1 158 158 GLU H H 158 7.875 7.875 8.185 -0.310 18942 8653 1 10 . 1 1 159 159 GLU N N 159 119.959 119.959 118.399 1.560 18942 8654 1 10 . 1 1 159 159 GLU C C 159 179.622 179.622 178.056 1.566 18942 8655 1 10 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.667 1.684 18942 8656 1 10 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.339 0.020 18942 8657 1 10 . 1 1 159 159 GLU H H 159 7.746 7.746 7.743 0.003 18942 8658 1 10 . 1 1 160 160 ILE N N 160 119.530 119.530 118.208 1.322 18942 8659 1 10 . 1 1 160 160 ILE C C 160 180.262 180.262 177.867 2.395 18942 8660 1 10 . 1 1 160 160 ILE CA C 160 66.305 66.305 62.869 3.436 18942 8661 1 10 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.630 0.689 18942 8662 1 10 . 1 1 160 160 ILE H H 160 8.094 8.094 7.514 0.580 18942 8663 1 10 . 1 1 161 161 LYS N N 161 121.437 121.437 121.846 -0.409 18942 8664 1 10 . 1 1 161 161 LYS C C 161 178.518 178.518 178.683 -0.165 18942 8665 1 10 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.473 1.183 18942 8666 1 10 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.536 1.065 18942 8667 1 10 . 1 1 161 161 LYS H H 161 8.500 8.500 8.381 0.119 18942 8668 1 10 . 1 1 162 162 SER N N 162 113.380 113.380 115.887 -2.507 18942 8669 1 10 . 1 1 162 162 SER C C 162 174.773 174.773 175.370 -0.597 18942 8670 1 10 . 1 1 162 162 SER CA C 162 61.208 61.208 60.454 0.754 18942 8671 1 10 . 1 1 162 162 SER CB C 162 62.725 62.725 62.923 -0.199 18942 8672 1 10 . 1 1 162 162 SER H H 162 7.653 7.653 7.754 -0.101 18942 8673 1 10 . 1 1 163 163 ILE N N 163 121.115 121.115 120.433 0.682 18942 8674 1 10 . 1 1 163 163 ILE C C 163 175.371 175.371 175.919 -0.548 18942 8675 1 10 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.564 -0.710 18942 8676 1 10 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.117 1.520 18942 8677 1 10 . 1 1 163 163 ILE H H 163 7.068 7.068 7.212 -0.144 18942 8678 1 10 . 1 1 164 164 ALA N N 164 120.332 120.332 121.538 -1.206 18942 8679 1 10 . 1 1 164 164 ALA C C 164 178.713 178.713 177.326 1.387 18942 8680 1 10 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.163 1.390 18942 8681 1 10 . 1 1 164 164 ALA CB C 164 19.820 19.820 18.940 0.880 18942 8682 1 10 . 1 1 164 164 ALA H H 164 6.801 6.801 7.446 -0.645 18942 8683 1 10 . 1 1 165 165 SER N N 165 120.959 120.959 119.772 1.187 18942 8684 1 10 . 1 1 165 165 SER C C 165 171.079 171.079 175.065 -3.986 18942 8685 1 10 . 1 1 165 165 SER CA C 165 61.464 61.464 60.165 1.299 18942 8686 1 10 . 1 1 165 165 SER CB C 165 61.858 61.858 63.640 -1.782 18942 8687 1 10 . 1 1 165 165 SER H H 165 8.656 8.656 8.548 0.108 18942 8688 1 10 . 1 1 166 166 GLU N N 166 116.428 116.428 121.368 -4.940 18942 8689 1 10 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.048 0.098 18942 8690 1 10 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.128 0.929 18942 8691 1 10 . 1 1 166 166 GLU H H 166 7.949 7.949 7.897 0.052 18942 8692 1 10 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.708 -1.924 18942 8693 1 10 . 1 1 167 167 PRO CB C 167 34.469 34.469 31.948 2.521 18942 8694 1 10 . 1 1 168 168 THR C C 168 176.433 176.433 176.224 0.209 18942 8695 1 10 . 1 1 168 168 THR CA C 168 67.606 67.606 65.386 2.220 18942 8696 1 10 . 1 1 168 168 THR CB C 168 69.086 69.086 68.959 0.127 18942 8697 1 10 . 1 1 169 169 GLU N N 169 118.116 118.116 119.899 -1.783 18942 8698 1 10 . 1 1 169 169 GLU C C 169 177.434 177.434 177.285 0.149 18942 8699 1 10 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.693 0.256 18942 8700 1 10 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.205 -0.634 18942 8701 1 10 . 1 1 169 169 GLU H H 169 9.598 9.598 8.725 0.873 18942 8702 1 10 . 1 1 170 170 LYS N N 170 114.965 114.965 113.309 1.656 18942 8703 1 10 . 1 1 170 170 LYS C C 170 173.967 173.967 176.317 -2.350 18942 8704 1 10 . 1 1 170 170 LYS CA C 170 56.221 56.221 56.074 0.147 18942 8705 1 10 . 1 1 170 170 LYS CB C 170 33.814 33.814 33.173 0.641 18942 8706 1 10 . 1 1 170 170 LYS H H 170 7.300 7.300 7.592 -0.292 18942 8707 1 10 . 1 1 171 171 HIS N N 171 112.017 112.017 116.212 -4.195 18942 8708 1 10 . 1 1 171 171 HIS C C 171 171.860 171.860 173.073 -1.213 18942 8709 1 10 . 1 1 171 171 HIS CA C 171 57.840 57.840 57.644 0.196 18942 8710 1 10 . 1 1 171 171 HIS CB C 171 33.695 33.695 34.397 -0.702 18942 8711 1 10 . 1 1 171 171 HIS H H 171 7.198 7.198 8.248 -1.050 18942 8712 1 10 . 1 1 172 172 PHE N N 172 121.188 121.188 121.246 -0.058 18942 8713 1 10 . 1 1 172 172 PHE C C 172 172.383 172.383 173.147 -0.764 18942 8714 1 10 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.227 -1.017 18942 8715 1 10 . 1 1 172 172 PHE CB C 172 41.412 41.412 42.233 -0.822 18942 8716 1 10 . 1 1 172 172 PHE H H 172 7.342 7.342 8.455 -1.113 18942 8717 1 10 . 1 1 173 173 PHE N N 173 120.855 120.855 120.048 0.807 18942 8718 1 10 . 1 1 173 173 PHE C C 173 173.751 173.751 172.418 1.333 18942 8719 1 10 . 1 1 173 173 PHE CA C 173 55.895 55.895 56.033 -0.138 18942 8720 1 10 . 1 1 173 173 PHE CB C 173 45.217 45.217 40.063 5.154 18942 8721 1 10 . 1 1 173 173 PHE H H 173 8.012 8.012 7.726 0.286 18942 8722 1 10 . 1 1 174 174 ASN N N 174 118.624 118.624 118.013 0.611 18942 8723 1 10 . 1 1 174 174 ASN C C 174 176.826 176.826 177.142 -0.316 18942 8724 1 10 . 1 1 174 174 ASN CA C 174 53.298 53.298 51.743 1.555 18942 8725 1 10 . 1 1 174 174 ASN CB C 174 40.549 40.549 39.523 1.026 18942 8726 1 10 . 1 1 174 174 ASN H H 174 8.760 8.760 8.441 0.319 18942 8727 1 10 . 1 1 175 175 VAL N N 175 122.779 122.779 121.873 0.906 18942 8728 1 10 . 1 1 175 175 VAL C C 175 174.743 174.743 176.381 -1.638 18942 8729 1 10 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.617 -1.075 18942 8730 1 10 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.309 0.772 18942 8731 1 10 . 1 1 175 175 VAL H H 175 8.349 8.349 8.413 -0.064 18942 8732 1 10 . 1 1 176 176 SER N N 176 111.983 111.983 110.586 1.397 18942 8733 1 10 . 1 1 176 176 SER C C 176 174.583 174.583 173.679 0.904 18942 8734 1 10 . 1 1 176 176 SER CA C 176 57.972 57.972 59.140 -1.168 18942 8735 1 10 . 1 1 176 176 SER CB C 176 63.722 63.722 63.242 0.480 18942 8736 1 10 . 1 1 176 176 SER H H 176 7.933 7.933 8.097 -0.164 18942 8737 1 10 . 1 1 177 177 ASP N N 177 122.321 122.321 122.068 0.253 18942 8738 1 10 . 1 1 177 177 ASP C C 177 178.008 178.008 175.740 2.268 18942 8739 1 10 . 1 1 177 177 ASP CA C 177 54.315 54.315 52.944 1.371 18942 8740 1 10 . 1 1 177 177 ASP CB C 177 41.687 41.687 41.650 0.037 18942 8741 1 10 . 1 1 177 177 ASP H H 177 7.696 7.696 7.559 0.137 18942 8742 1 10 . 1 1 178 178 GLU N N 178 128.610 128.610 125.246 3.364 18942 8743 1 10 . 1 1 178 178 GLU C C 178 177.787 177.787 177.616 0.171 18942 8744 1 10 . 1 1 178 178 GLU CA C 178 59.124 59.124 58.193 0.931 18942 8745 1 10 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.595 0.129 18942 8746 1 10 . 1 1 178 178 GLU H H 178 9.211 9.211 8.703 0.508 18942 8747 1 10 . 1 1 179 179 LEU N N 179 117.532 117.532 121.378 -3.846 18942 8748 1 10 . 1 1 179 179 LEU C C 179 178.646 178.646 177.839 0.807 18942 8749 1 10 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.760 -1.685 18942 8750 1 10 . 1 1 179 179 LEU CB C 179 41.784 41.784 41.795 -0.011 18942 8751 1 10 . 1 1 179 179 LEU H H 179 8.683 8.683 7.753 0.930 18942 8752 1 10 . 1 1 180 180 ALA N N 180 123.387 123.387 121.146 2.241 18942 8753 1 10 . 1 1 180 180 ALA C C 180 178.175 178.175 178.778 -0.603 18942 8754 1 10 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.326 1.631 18942 8755 1 10 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.572 1.749 18942 8756 1 10 . 1 1 180 180 ALA H H 180 7.627 7.627 8.078 -0.451 18942 8757 1 10 . 1 1 181 181 LEU N N 181 114.375 114.375 117.847 -3.472 18942 8758 1 10 . 1 1 181 181 LEU C C 181 178.681 178.681 178.588 0.093 18942 8759 1 10 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.227 0.905 18942 8760 1 10 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.465 -0.327 18942 8761 1 10 . 1 1 181 181 LEU H H 181 7.638 7.638 7.112 0.526 18942 8762 1 10 . 1 1 182 182 VAL N N 182 113.683 113.683 118.847 -5.164 18942 8763 1 10 . 1 1 182 182 VAL C C 182 178.401 178.401 177.758 0.643 18942 8764 1 10 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.357 -1.182 18942 8765 1 10 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.325 0.651 18942 8766 1 10 . 1 1 182 182 VAL H H 182 7.448 7.448 7.398 0.050 18942 8767 1 10 . 1 1 183 183 THR N N 183 116.081 116.081 117.489 -1.408 18942 8768 1 10 . 1 1 183 183 THR C C 183 176.701 176.701 176.697 0.004 18942 8769 1 10 . 1 1 183 183 THR CA C 183 66.999 66.999 66.698 0.301 18942 8770 1 10 . 1 1 183 183 THR CB C 183 67.885 67.885 68.512 -0.627 18942 8771 1 10 . 1 1 183 183 THR H H 183 7.527 7.527 7.636 -0.109 18942 8772 1 10 . 1 1 184 184 ILE N N 184 124.157 124.157 122.484 1.673 18942 8773 1 10 . 1 1 184 184 ILE C C 184 177.072 177.072 177.308 -0.236 18942 8774 1 10 . 1 1 184 184 ILE CA C 184 66.514 66.514 63.795 2.719 18942 8775 1 10 . 1 1 184 184 ILE CB C 184 38.229 38.229 37.333 0.896 18942 8776 1 10 . 1 1 184 184 ILE H H 184 8.406 8.406 7.795 0.611 18942 8777 1 10 . 1 1 185 185 VAL N N 185 115.165 115.165 120.836 -5.671 18942 8778 1 10 . 1 1 185 185 VAL C C 185 178.544 178.544 177.886 0.658 18942 8779 1 10 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.830 0.172 18942 8780 1 10 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.270 -0.265 18942 8781 1 10 . 1 1 185 185 VAL H H 185 7.429 7.429 7.903 -0.474 18942 8782 1 10 . 1 1 186 186 LYS N N 186 119.326 119.326 118.460 0.866 18942 8783 1 10 . 1 1 186 186 LYS C C 186 179.109 179.109 178.591 0.518 18942 8784 1 10 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.019 0.477 18942 8785 1 10 . 1 1 186 186 LYS CB C 186 32.866 32.866 31.947 0.919 18942 8786 1 10 . 1 1 186 186 LYS H H 186 7.659 7.659 8.122 -0.463 18942 8787 1 10 . 1 1 187 187 THR N N 187 116.582 116.582 114.529 2.053 18942 8788 1 10 . 1 1 187 187 THR C C 187 177.056 177.056 176.832 0.224 18942 8789 1 10 . 1 1 187 187 THR CA C 187 66.358 66.358 65.352 1.006 18942 8790 1 10 . 1 1 187 187 THR CB C 187 69.105 69.105 69.258 -0.153 18942 8791 1 10 . 1 1 187 187 THR H H 187 8.377 8.377 7.519 0.858 18942 8792 1 10 . 1 1 188 188 LEU N N 188 121.469 121.469 121.185 0.284 18942 8793 1 10 . 1 1 188 188 LEU C C 188 178.177 178.177 177.853 0.324 18942 8794 1 10 . 1 1 188 188 LEU CA C 188 57.524 57.524 56.381 1.143 18942 8795 1 10 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.778 0.538 18942 8796 1 10 . 1 1 188 188 LEU H H 188 8.262 8.262 8.331 -0.069 18942 8797 1 10 . 1 1 189 189 GLY N N 189 104.655 104.655 104.970 -0.315 18942 8798 1 10 . 1 1 189 189 GLY C C 189 174.400 174.400 174.991 -0.591 18942 8799 1 10 . 1 1 189 189 GLY CA C 189 45.967 45.967 44.751 1.216 18942 8800 1 10 . 1 1 189 189 GLY H H 189 7.898 7.898 7.581 0.317 18942 8801 1 10 . 1 1 190 190 GLU N N 190 119.430 119.430 120.361 -0.931 18942 8802 1 10 . 1 1 190 190 GLU C C 190 176.344 176.344 176.862 -0.518 18942 8803 1 10 . 1 1 190 190 GLU CA C 190 56.871 56.871 56.239 0.632 18942 8804 1 10 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.711 -0.058 18942 8805 1 10 . 1 1 190 190 GLU H H 190 7.630 7.630 7.397 0.233 18942 8806 1 10 . 1 1 191 191 ARG N N 191 121.191 121.191 119.273 1.918 18942 8807 1 10 . 1 1 191 191 ARG C C 191 175.205 175.205 176.887 -1.682 18942 8808 1 10 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.440 -1.379 18942 8809 1 10 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.539 0.317 18942 8810 1 10 . 1 1 191 191 ARG H H 191 8.126 8.126 8.503 -0.377 18942 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 180 3.254 0.925 3.129 18942 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18942 3 1 1 "Average Difference" C 156 1.206 -0.029 1.209 18942 4 1 1 "Average Difference" CA 189 1.298 -0.280 1.270 18942 5 1 1 "Average Difference" CB 176 1.521 -0.346 1.486 18942 6 1 1 "Average Difference" HN 180 0.639 0.021 0.640 18942 7 1 2 "Average Difference" N 180 3.241 1.126 3.048 18942 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18942 9 1 2 "Average Difference" C 156 1.186 -0.087 1.187 18942 10 1 2 "Average Difference" CA 189 1.220 -0.248 1.197 18942 11 1 2 "Average Difference" CB 176 1.567 -0.242 1.553 18942 12 1 2 "Average Difference" HN 180 0.597 0.068 0.595 18942 13 1 3 "Average Difference" N 180 3.620 0.814 3.537 18942 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18942 15 1 3 "Average Difference" C 156 1.195 -0.048 1.198 18942 16 1 3 "Average Difference" CA 189 1.374 -0.291 1.346 18942 17 1 3 "Average Difference" CB 176 1.620 -0.266 1.603 18942 18 1 3 "Average Difference" HN 180 0.605 0.041 0.606 18942 19 1 4 "Average Difference" N 180 3.277 1.031 3.119 18942 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18942 21 1 4 "Average Difference" C 156 1.208 -0.052 1.211 18942 22 1 4 "Average Difference" CA 189 1.210 -0.257 1.185 18942 23 1 4 "Average Difference" CB 176 1.537 -0.320 1.508 18942 24 1 4 "Average Difference" HN 180 0.627 0.011 0.628 18942 25 1 5 "Average Difference" N 180 3.248 1.164 3.041 18942 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18942 27 1 5 "Average Difference" C 156 1.138 0.025 1.141 18942 28 1 5 "Average Difference" CA 189 1.227 -0.228 1.209 18942 29 1 5 "Average Difference" CB 176 1.483 -0.359 1.443 18942 30 1 5 "Average Difference" HN 180 0.616 0.050 0.616 18942 31 1 6 "Average Difference" N 180 3.187 0.820 3.089 18942 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18942 33 1 6 "Average Difference" C 156 1.195 0.036 1.198 18942 34 1 6 "Average Difference" CA 189 1.276 -0.290 1.246 18942 35 1 6 "Average Difference" CB 176 1.533 -0.277 1.512 18942 36 1 6 "Average Difference" HN 180 0.630 0.024 0.632 18942 37 1 7 "Average Difference" N 180 3.058 0.830 2.952 18942 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18942 39 1 7 "Average Difference" C 156 1.238 -0.044 1.241 18942 40 1 7 "Average Difference" CA 189 1.286 -0.265 1.262 18942 41 1 7 "Average Difference" CB 176 1.518 -0.297 1.493 18942 42 1 7 "Average Difference" HN 180 0.641 0.042 0.642 18942 43 1 8 "Average Difference" N 180 3.250 1.128 3.056 18942 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18942 45 1 8 "Average Difference" C 156 1.145 -0.021 1.148 18942 46 1 8 "Average Difference" CA 189 1.250 -0.283 1.221 18942 47 1 8 "Average Difference" CB 176 1.468 -0.293 1.443 18942 48 1 8 "Average Difference" HN 180 0.641 0.048 0.641 18942 49 1 9 "Average Difference" N 180 3.436 0.809 3.348 18942 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18942 51 1 9 "Average Difference" C 156 1.233 -0.041 1.237 18942 52 1 9 "Average Difference" CA 189 1.267 -0.347 1.222 18942 53 1 9 "Average Difference" CB 176 1.451 -0.309 1.421 18942 54 1 9 "Average Difference" HN 180 0.629 0.030 0.630 18942 55 1 10 "Average Difference" N 180 3.321 1.161 3.120 18942 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18942 57 1 10 "Average Difference" C 156 1.186 -0.077 1.187 18942 58 1 10 "Average Difference" CA 189 1.189 -0.281 1.158 18942 59 1 10 "Average Difference" CB 176 1.581 -0.295 1.557 18942 60 1 10 "Average Difference" HN 180 0.579 0.049 0.579 18942 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 18942 _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 THR N N 2 115.468 115.468 120.946 -5.478 18942 2 1 . 1 1 2 2 THR C C 2 174.211 174.211 173.830 0.381 18942 3 1 . 1 1 2 2 THR CA C 2 61.939 61.939 62.053 -0.114 18942 4 1 . 1 1 2 2 THR CB C 2 70.018 70.018 68.377 1.641 18942 5 1 . 1 1 2 2 THR H H 2 8.002 8.002 8.721 -0.719 18942 6 1 . 1 1 3 3 GLN N N 3 122.804 122.804 124.131 -1.327 18942 7 1 . 1 1 3 3 GLN C C 3 174.443 174.443 174.412 0.031 18942 8 1 . 1 1 3 3 GLN CA C 3 56.560 56.560 55.213 1.347 18942 9 1 . 1 1 3 3 GLN CB C 3 30.049 30.049 29.758 0.290 18942 10 1 . 1 1 3 3 GLN H H 3 8.225 8.225 8.043 0.182 18942 11 1 . 1 1 4 4 LEU N N 4 120.941 120.941 119.566 1.375 18942 12 1 . 1 1 4 4 LEU C C 4 174.867 174.867 174.994 -0.128 18942 13 1 . 1 1 4 4 LEU CA C 4 54.500 54.500 54.043 0.457 18942 14 1 . 1 1 4 4 LEU CB C 4 47.427 47.427 45.187 2.240 18942 15 1 . 1 1 4 4 LEU H H 4 6.832 6.832 8.124 -1.292 18942 16 1 . 1 1 5 5 ASP N N 5 125.936 125.936 122.464 3.472 18942 17 1 . 1 1 5 5 ASP C C 5 173.417 173.417 175.305 -1.888 18942 18 1 . 1 1 5 5 ASP CA C 5 54.607 54.607 54.493 0.114 18942 19 1 . 1 1 5 5 ASP CB C 5 42.393 42.393 41.927 0.466 18942 20 1 . 1 1 5 5 ASP H H 5 8.760 8.760 8.457 0.303 18942 21 1 . 1 1 6 6 ILE N N 6 122.489 122.489 124.535 -2.046 18942 22 1 . 1 1 6 6 ILE CA C 6 60.118 60.118 59.837 0.281 18942 23 1 . 1 1 6 6 ILE CB C 6 39.794 39.794 41.464 -1.670 18942 24 1 . 1 1 6 6 ILE H H 6 8.897 8.897 9.152 -0.255 18942 25 1 . 1 1 7 7 VAL N N 7 124.979 124.979 125.793 -0.814 18942 26 1 . 1 1 7 7 VAL CA C 7 60.066 60.066 59.488 0.577 18942 27 1 . 1 1 7 7 VAL CB C 7 34.162 34.162 35.364 -1.202 18942 28 1 . 1 1 7 7 VAL H H 7 9.009 9.009 8.885 0.124 18942 29 1 . 1 1 8 8 ILE N N 8 127.861 127.861 128.347 -0.486 18942 30 1 . 1 1 8 8 ILE CA C 8 59.841 59.841 58.199 1.642 18942 31 1 . 1 1 8 8 ILE CB C 8 38.016 38.016 38.286 -0.270 18942 32 1 . 1 1 8 8 ILE H H 8 8.758 8.758 9.222 -0.464 18942 33 1 . 1 1 9 9 VAL N N 9 129.205 129.205 128.010 1.195 18942 34 1 . 1 1 9 9 VAL C C 9 173.949 173.949 175.011 -1.062 18942 35 1 . 1 1 9 9 VAL CA C 9 61.475 61.475 61.068 0.407 18942 36 1 . 1 1 9 9 VAL CB C 9 32.396 32.396 32.616 -0.220 18942 37 1 . 1 1 9 9 VAL H H 9 9.713 9.713 9.231 0.482 18942 38 1 . 1 1 10 10 LEU N N 10 123.753 123.753 127.875 -4.122 18942 39 1 . 1 1 10 10 LEU C C 10 174.175 174.175 175.108 -0.933 18942 40 1 . 1 1 10 10 LEU CA C 10 53.726 53.726 52.952 0.774 18942 41 1 . 1 1 10 10 LEU CB C 10 44.609 44.609 43.944 0.665 18942 42 1 . 1 1 10 10 LEU H H 10 9.261 9.261 9.210 0.051 18942 43 1 . 1 1 11 11 ASP N N 11 125.333 125.333 120.487 4.846 18942 44 1 . 1 1 11 11 ASP C C 11 174.405 174.405 176.518 -2.113 18942 45 1 . 1 1 11 11 ASP CA C 11 53.553 53.553 52.683 0.870 18942 46 1 . 1 1 11 11 ASP CB C 11 41.590 41.590 42.977 -1.387 18942 47 1 . 1 1 11 11 ASP H H 11 7.867 7.867 8.471 -0.604 18942 48 1 . 1 1 12 12 GLY N N 12 113.584 113.584 112.014 1.570 18942 49 1 . 1 1 12 12 GLY C C 12 176.010 176.010 174.303 1.707 18942 50 1 . 1 1 12 12 GLY CA C 12 44.714 44.714 44.473 0.241 18942 51 1 . 1 1 12 12 GLY H H 12 8.825 8.825 8.253 0.572 18942 52 1 . 1 1 13 13 SER N N 13 114.408 114.408 116.701 -2.293 18942 53 1 . 1 1 13 13 SER C C 13 173.728 173.728 175.270 -1.542 18942 54 1 . 1 1 13 13 SER CA C 13 58.607 58.607 58.828 -0.221 18942 55 1 . 1 1 13 13 SER CB C 13 64.366 64.366 64.575 -0.209 18942 56 1 . 1 1 13 13 SER H H 13 8.668 8.668 8.387 0.281 18942 57 1 . 1 1 14 14 ASN N N 14 117.122 117.122 119.763 -2.641 18942 58 1 . 1 1 14 14 ASN C C 14 175.323 175.323 175.908 -0.585 18942 59 1 . 1 1 14 14 ASN CA C 14 55.132 55.132 54.763 0.369 18942 60 1 . 1 1 14 14 ASN CB C 14 37.735 37.735 38.521 -0.787 18942 61 1 . 1 1 14 14 ASN H H 14 8.800 8.800 8.699 0.101 18942 62 1 . 1 1 15 15 SER N N 15 109.840 109.840 113.356 -3.516 18942 63 1 . 1 1 15 15 SER C C 15 175.252 175.252 174.508 0.744 18942 64 1 . 1 1 15 15 SER CA C 15 60.352 60.352 58.886 1.466 18942 65 1 . 1 1 15 15 SER CB C 15 62.281 62.281 63.743 -1.462 18942 66 1 . 1 1 15 15 SER H H 15 8.949 8.949 8.076 0.873 18942 67 1 . 1 1 16 16 ILE N N 16 125.955 125.955 120.973 4.982 18942 68 1 . 1 1 16 16 ILE C C 16 175.772 175.772 175.514 0.258 18942 69 1 . 1 1 16 16 ILE CA C 16 59.419 59.419 60.124 -0.705 18942 70 1 . 1 1 16 16 ILE CB C 16 34.858 34.858 39.290 -4.432 18942 71 1 . 1 1 16 16 ILE H H 16 7.463 7.463 7.357 0.106 18942 72 1 . 1 1 17 17 TYR N N 17 125.148 125.148 124.271 0.877 18942 73 1 . 1 1 17 17 TYR CA C 17 55.534 55.534 55.904 -0.370 18942 74 1 . 1 1 17 17 TYR CB C 17 42.633 42.633 37.656 4.976 18942 75 1 . 1 1 17 17 TYR H H 17 8.097 8.097 8.365 -0.268 18942 76 1 . 1 1 18 18 PRO C C 18 177.356 177.356 177.451 -0.095 18942 77 1 . 1 1 18 18 PRO CA C 18 62.705 62.705 63.189 -0.484 18942 78 1 . 1 1 18 18 PRO CB C 18 32.970 32.970 32.274 0.696 18942 79 1 . 1 1 19 19 TRP N N 19 125.777 125.777 124.932 0.845 18942 80 1 . 1 1 19 19 TRP C C 19 177.067 177.067 177.240 -0.173 18942 81 1 . 1 1 19 19 TRP CA C 19 59.646 59.646 59.247 0.399 18942 82 1 . 1 1 19 19 TRP CB C 19 29.690 29.690 29.826 -0.136 18942 83 1 . 1 1 19 19 TRP H H 19 9.064 9.064 9.007 0.057 18942 84 1 . 1 1 20 20 ASP N N 20 112.639 112.639 119.839 -7.200 18942 85 1 . 1 1 20 20 ASP C C 20 178.681 178.681 178.525 0.156 18942 86 1 . 1 1 20 20 ASP CA C 20 56.214 56.214 57.531 -1.317 18942 87 1 . 1 1 20 20 ASP CB C 20 40.384 40.384 40.290 0.094 18942 88 1 . 1 1 20 20 ASP H H 20 8.476 8.476 8.677 -0.201 18942 89 1 . 1 1 21 21 SER N N 21 113.464 113.464 115.527 -2.063 18942 90 1 . 1 1 21 21 SER C C 21 176.264 176.264 176.502 -0.238 18942 91 1 . 1 1 21 21 SER CA C 21 61.853 61.853 61.712 0.141 18942 92 1 . 1 1 21 21 SER CB C 21 63.207 63.207 63.118 0.089 18942 93 1 . 1 1 21 21 SER H H 21 7.436 7.436 7.813 -0.377 18942 94 1 . 1 1 22 22 VAL N N 22 123.136 123.136 121.814 1.322 18942 95 1 . 1 1 22 22 VAL C C 22 177.581 177.581 177.130 0.451 18942 96 1 . 1 1 22 22 VAL CA C 22 66.778 66.778 65.668 1.109 18942 97 1 . 1 1 22 22 VAL CB C 22 30.884 30.884 31.070 -0.186 18942 98 1 . 1 1 22 22 VAL H H 22 7.130 7.130 7.409 -0.279 18942 99 1 . 1 1 23 23 THR N N 23 110.025 110.025 113.660 -3.635 18942 100 1 . 1 1 23 23 THR C C 23 177.587 177.587 176.400 1.187 18942 101 1 . 1 1 23 23 THR CA C 23 66.080 66.080 66.090 -0.010 18942 102 1 . 1 1 23 23 THR CB C 23 68.089 68.089 68.422 -0.333 18942 103 1 . 1 1 23 23 THR H H 23 7.637 7.637 8.161 -0.524 18942 104 1 . 1 1 24 24 ALA N N 24 123.457 123.457 124.419 -0.962 18942 105 1 . 1 1 24 24 ALA C C 24 178.927 178.927 179.041 -0.114 18942 106 1 . 1 1 24 24 ALA CA C 24 55.464 55.464 54.903 0.561 18942 107 1 . 1 1 24 24 ALA CB C 24 18.491 18.491 18.194 0.297 18942 108 1 . 1 1 24 24 ALA H H 24 7.768 7.768 7.832 -0.064 18942 109 1 . 1 1 25 25 PHE N N 25 118.072 118.072 120.183 -2.111 18942 110 1 . 1 1 25 25 PHE CA C 25 61.317 61.317 61.157 0.160 18942 111 1 . 1 1 25 25 PHE CB C 25 38.938 38.938 39.259 -0.321 18942 112 1 . 1 1 25 25 PHE H H 25 7.064 7.064 7.884 -0.820 18942 113 1 . 1 1 26 26 LEU N N 26 115.251 115.251 119.346 -4.095 18942 114 1 . 1 1 26 26 LEU CA C 26 57.703 57.703 57.772 -0.069 18942 115 1 . 1 1 26 26 LEU CB C 26 42.305 42.305 40.770 1.535 18942 116 1 . 1 1 26 26 LEU H H 26 8.016 8.016 8.562 -0.546 18942 117 1 . 1 1 27 27 ASN N N 27 114.759 114.759 119.044 -4.285 18942 118 1 . 1 1 27 27 ASN CA C 27 57.523 57.523 56.875 0.647 18942 119 1 . 1 1 27 27 ASN CB C 27 40.709 40.709 38.329 2.380 18942 120 1 . 1 1 27 27 ASN H H 27 7.842 7.842 8.496 -0.654 18942 121 1 . 1 1 28 28 ASP N N 28 116.899 116.899 120.022 -3.123 18942 122 1 . 1 1 28 28 ASP CA C 28 56.609 56.609 57.419 -0.810 18942 123 1 . 1 1 28 28 ASP CB C 28 40.438 40.438 40.797 -0.359 18942 124 1 . 1 1 28 28 ASP H H 28 7.802 7.802 8.065 -0.263 18942 125 1 . 1 1 29 29 LEU N N 29 118.230 118.230 122.059 -3.829 18942 126 1 . 1 1 29 29 LEU CA C 29 57.824 57.824 57.872 -0.048 18942 127 1 . 1 1 29 29 LEU CB C 29 42.013 42.013 41.686 0.327 18942 128 1 . 1 1 29 29 LEU H H 29 7.970 7.970 7.710 0.260 18942 129 1 . 1 1 30 30 LEU N N 30 114.781 114.781 118.146 -3.365 18942 130 1 . 1 1 30 30 LEU C C 30 178.917 178.917 179.131 -0.214 18942 131 1 . 1 1 30 30 LEU CA C 30 57.693 57.693 57.032 0.661 18942 132 1 . 1 1 30 30 LEU CB C 30 41.544 41.544 40.470 1.074 18942 133 1 . 1 1 30 30 LEU H H 30 8.000 8.000 8.345 -0.345 18942 134 1 . 1 1 31 31 GLU N N 31 113.705 113.705 117.522 -3.817 18942 135 1 . 1 1 31 31 GLU C C 31 177.554 177.554 178.092 -0.538 18942 136 1 . 1 1 31 31 GLU CA C 31 58.445 58.445 58.557 -0.112 18942 137 1 . 1 1 31 31 GLU CB C 31 29.424 29.424 29.708 -0.284 18942 138 1 . 1 1 31 31 GLU H H 31 7.880 7.880 7.977 -0.097 18942 139 1 . 1 1 32 32 ARG N N 32 114.470 114.470 116.527 -2.057 18942 140 1 . 1 1 32 32 ARG C C 32 175.851 175.851 176.896 -1.045 18942 141 1 . 1 1 32 32 ARG CA C 32 55.549 55.549 56.795 -1.246 18942 142 1 . 1 1 32 32 ARG CB C 32 30.586 30.586 30.850 -0.264 18942 143 1 . 1 1 32 32 ARG H H 32 7.014 7.014 7.385 -0.371 18942 144 1 . 1 1 33 33 MET N N 33 116.853 116.853 119.339 -2.486 18942 145 1 . 1 1 33 33 MET C C 33 174.809 174.809 175.225 -0.416 18942 146 1 . 1 1 33 33 MET CA C 33 54.694 54.694 54.585 0.110 18942 147 1 . 1 1 33 33 MET CB C 33 35.436 35.436 32.565 2.871 18942 148 1 . 1 1 33 33 MET H H 33 7.528 7.528 7.459 0.069 18942 149 1 . 1 1 34 34 ASP N N 34 123.345 123.345 125.705 -2.360 18942 150 1 . 1 1 34 34 ASP C C 34 173.878 173.878 175.228 -1.350 18942 151 1 . 1 1 34 34 ASP CA C 34 53.172 53.172 54.390 -1.218 18942 152 1 . 1 1 34 34 ASP CB C 34 40.891 40.891 40.599 0.292 18942 153 1 . 1 1 34 34 ASP H H 34 8.784 8.784 8.726 0.058 18942 154 1 . 1 1 35 35 ILE N N 35 123.293 123.293 125.642 -2.349 18942 155 1 . 1 1 35 35 ILE C C 35 176.589 176.589 175.840 0.749 18942 156 1 . 1 1 35 35 ILE CA C 35 58.830 58.830 59.605 -0.775 18942 157 1 . 1 1 35 35 ILE CB C 35 38.073 38.073 36.676 1.397 18942 158 1 . 1 1 35 35 ILE H H 35 7.188 7.188 7.703 -0.515 18942 159 1 . 1 1 36 36 GLY N N 36 112.822 112.822 113.891 -1.069 18942 160 1 . 1 1 36 36 GLY CA C 36 45.744 45.744 44.975 0.769 18942 161 1 . 1 1 36 36 GLY H H 36 8.748 8.748 8.130 0.618 18942 162 1 . 1 1 37 37 PRO C C 37 178.427 178.427 176.676 1.751 18942 163 1 . 1 1 37 37 PRO CA C 37 64.849 64.849 64.389 0.460 18942 164 1 . 1 1 37 37 PRO CB C 37 32.202 32.202 32.445 -0.243 18942 165 1 . 1 1 38 38 LYS N N 38 116.281 116.281 115.793 0.488 18942 166 1 . 1 1 38 38 LYS C C 38 176.306 176.306 174.939 1.367 18942 167 1 . 1 1 38 38 LYS CA C 38 54.664 54.664 56.111 -1.447 18942 168 1 . 1 1 38 38 LYS CB C 38 32.645 32.645 32.388 0.257 18942 169 1 . 1 1 38 38 LYS H H 38 8.262 8.262 7.987 0.275 18942 170 1 . 1 1 39 39 GLN N N 39 121.587 121.587 118.176 3.411 18942 171 1 . 1 1 39 39 GLN C C 39 176.105 176.105 175.107 0.999 18942 172 1 . 1 1 39 39 GLN CA C 39 55.448 55.448 54.622 0.826 18942 173 1 . 1 1 39 39 GLN CB C 39 29.540 29.540 31.743 -2.203 18942 174 1 . 1 1 39 39 GLN H H 39 7.680 7.680 7.748 -0.068 18942 175 1 . 1 1 40 40 THR N N 40 124.944 124.944 114.201 10.743 18942 176 1 . 1 1 40 40 THR C C 40 172.592 172.592 173.631 -1.039 18942 177 1 . 1 1 40 40 THR CA C 40 63.650 63.650 63.057 0.593 18942 178 1 . 1 1 40 40 THR CB C 40 69.597 69.597 67.098 2.499 18942 179 1 . 1 1 40 40 THR H H 40 8.525 8.525 8.702 -0.177 18942 180 1 . 1 1 41 41 GLN N N 41 122.782 122.782 122.100 0.682 18942 181 1 . 1 1 41 41 GLN C C 41 174.312 174.312 174.505 -0.193 18942 182 1 . 1 1 41 41 GLN CA C 41 55.149 55.149 55.645 -0.496 18942 183 1 . 1 1 41 41 GLN CB C 41 33.926 33.926 29.657 4.269 18942 184 1 . 1 1 41 41 GLN H H 41 8.821 8.821 8.070 0.751 18942 185 1 . 1 1 42 42 VAL N N 42 118.560 118.560 122.995 -4.435 18942 186 1 . 1 1 42 42 VAL C C 42 173.505 173.505 175.614 -2.108 18942 187 1 . 1 1 42 42 VAL CA C 42 60.005 60.005 60.031 -0.026 18942 188 1 . 1 1 42 42 VAL CB C 42 36.835 36.835 34.100 2.735 18942 189 1 . 1 1 42 42 VAL H H 42 8.135 8.135 8.344 -0.209 18942 190 1 . 1 1 43 43 GLY N N 43 110.800 110.800 114.207 -3.407 18942 191 1 . 1 1 43 43 GLY C C 43 172.196 172.196 172.559 -0.363 18942 192 1 . 1 1 43 43 GLY CA C 43 43.290 43.290 43.225 0.065 18942 193 1 . 1 1 43 43 GLY H H 43 8.606 8.606 8.686 -0.080 18942 194 1 . 1 1 44 44 ILE N N 44 115.225 115.225 123.815 -8.590 18942 195 1 . 1 1 44 44 ILE C C 44 174.136 174.136 175.183 -1.047 18942 196 1 . 1 1 44 44 ILE CA C 44 60.846 60.846 60.870 -0.025 18942 197 1 . 1 1 44 44 ILE CB C 44 41.252 41.252 39.779 1.473 18942 198 1 . 1 1 44 44 ILE H H 44 7.361 7.361 8.191 -0.830 18942 199 1 . 1 1 45 45 VAL N N 45 126.880 126.880 126.054 0.826 18942 200 1 . 1 1 45 45 VAL C C 45 173.113 173.113 174.198 -1.085 18942 201 1 . 1 1 45 45 VAL CA C 45 59.832 59.832 60.442 -0.610 18942 202 1 . 1 1 45 45 VAL CB C 45 35.735 35.735 35.431 0.304 18942 203 1 . 1 1 45 45 VAL H H 45 9.245 9.245 9.206 0.039 18942 204 1 . 1 1 46 46 GLN N N 46 124.650 124.650 125.624 -0.974 18942 205 1 . 1 1 46 46 GLN C C 46 173.879 173.879 174.497 -0.618 18942 206 1 . 1 1 46 46 GLN CA C 46 53.759 53.759 53.393 0.366 18942 207 1 . 1 1 46 46 GLN CB C 46 32.485 32.485 32.714 -0.229 18942 208 1 . 1 1 46 46 GLN H H 46 9.333 9.333 8.931 0.402 18942 209 1 . 1 1 47 47 TYR N N 47 123.588 123.588 121.410 2.178 18942 210 1 . 1 1 47 47 TYR C C 47 172.762 172.762 174.019 -1.257 18942 211 1 . 1 1 47 47 TYR CA C 47 55.419 55.419 55.587 -0.168 18942 212 1 . 1 1 47 47 TYR CB C 47 44.504 44.504 41.980 2.524 18942 213 1 . 1 1 47 47 TYR H H 47 9.300 9.300 8.865 0.435 18942 214 1 . 1 1 48 48 GLY N N 48 107.867 107.867 109.475 -1.608 18942 215 1 . 1 1 48 48 GLY C C 48 172.936 172.936 173.725 -0.789 18942 216 1 . 1 1 48 48 GLY CA C 48 48.040 48.040 46.073 1.968 18942 217 1 . 1 1 48 48 GLY H H 48 7.894 7.894 8.223 -0.328 18942 218 1 . 1 1 49 49 GLU N N 49 127.160 127.160 120.476 6.684 18942 219 1 . 1 1 49 49 GLU C C 49 174.960 174.960 176.208 -1.248 18942 220 1 . 1 1 49 49 GLU CA C 49 58.254 58.254 58.285 -0.032 18942 221 1 . 1 1 49 49 GLU CB C 49 30.943 30.943 29.803 1.140 18942 222 1 . 1 1 49 49 GLU H H 49 9.355 9.355 8.662 0.693 18942 223 1 . 1 1 50 50 ASN N N 50 112.730 112.730 115.111 -2.381 18942 224 1 . 1 1 50 50 ASN C C 50 174.229 174.229 173.108 1.121 18942 225 1 . 1 1 50 50 ASN CA C 50 50.806 50.806 52.349 -1.543 18942 226 1 . 1 1 50 50 ASN CB C 50 41.127 41.127 41.924 -0.796 18942 227 1 . 1 1 50 50 ASN H H 50 7.494 7.494 7.662 -0.168 18942 228 1 . 1 1 51 51 VAL N N 51 118.965 118.965 120.205 -1.240 18942 229 1 . 1 1 51 51 VAL C C 51 174.904 174.904 175.474 -0.570 18942 230 1 . 1 1 51 51 VAL CA C 51 62.730 62.730 61.674 1.056 18942 231 1 . 1 1 51 51 VAL CB C 51 34.034 34.034 33.188 0.846 18942 232 1 . 1 1 51 51 VAL H H 51 8.647 8.647 8.515 0.132 18942 233 1 . 1 1 52 52 THR N N 52 122.865 122.865 122.960 -0.095 18942 234 1 . 1 1 52 52 THR C C 52 173.383 173.383 173.172 0.211 18942 235 1 . 1 1 52 52 THR CA C 52 61.809 61.809 61.163 0.646 18942 236 1 . 1 1 52 52 THR CB C 52 71.943 71.943 70.479 1.464 18942 237 1 . 1 1 52 52 THR H H 52 9.183 9.183 8.960 0.223 18942 238 1 . 1 1 53 53 HIS N N 53 126.441 126.441 122.744 3.697 18942 239 1 . 1 1 53 53 HIS C C 53 175.728 175.728 174.597 1.131 18942 240 1 . 1 1 53 53 HIS CA C 53 57.162 57.162 54.179 2.983 18942 241 1 . 1 1 53 53 HIS CB C 53 31.084 31.084 30.079 1.005 18942 242 1 . 1 1 53 53 HIS H H 53 8.995 8.995 8.426 0.570 18942 243 1 . 1 1 54 54 GLU N N 54 126.720 126.720 123.052 3.669 18942 244 1 . 1 1 54 54 GLU C C 54 178.106 178.106 176.132 1.974 18942 245 1 . 1 1 54 54 GLU CA C 54 57.886 57.886 57.930 -0.044 18942 246 1 . 1 1 54 54 GLU CB C 54 28.570 28.570 30.427 -1.857 18942 247 1 . 1 1 54 54 GLU H H 54 8.901 8.901 8.822 0.079 18942 248 1 . 1 1 55 55 PHE N N 55 106.460 106.460 118.310 -11.850 18942 249 1 . 1 1 55 55 PHE C C 55 174.320 174.320 174.664 -0.344 18942 250 1 . 1 1 55 55 PHE CA C 55 57.044 57.044 57.168 -0.124 18942 251 1 . 1 1 55 55 PHE CB C 55 40.763 40.763 40.803 -0.040 18942 252 1 . 1 1 55 55 PHE H H 55 7.351 7.351 8.019 -0.668 18942 253 1 . 1 1 56 56 ASN N N 56 119.296 119.296 121.040 -1.744 18942 254 1 . 1 1 56 56 ASN CA C 56 52.079 52.079 52.757 -0.678 18942 255 1 . 1 1 56 56 ASN CB C 56 39.705 39.705 39.613 0.092 18942 256 1 . 1 1 56 56 ASN H H 56 8.378 8.378 8.658 -0.280 18942 257 1 . 1 1 57 57 LEU C C 57 175.843 175.843 178.004 -2.161 18942 258 1 . 1 1 57 57 LEU CA C 57 58.498 58.498 57.821 0.677 18942 259 1 . 1 1 57 57 LEU CB C 57 43.994 43.994 42.369 1.625 18942 260 1 . 1 1 58 58 ASN N N 58 108.256 108.256 115.061 -6.805 18942 261 1 . 1 1 58 58 ASN C C 58 177.051 177.051 175.389 1.662 18942 262 1 . 1 1 58 58 ASN CA C 58 50.879 50.879 53.344 -2.465 18942 263 1 . 1 1 58 58 ASN CB C 58 38.911 38.911 38.120 0.791 18942 264 1 . 1 1 58 58 ASN H H 58 7.345 7.345 7.960 -0.614 18942 265 1 . 1 1 59 59 LYS N N 59 121.550 121.550 119.514 2.036 18942 266 1 . 1 1 59 59 LYS C C 59 176.380 176.380 176.096 0.284 18942 267 1 . 1 1 59 59 LYS CA C 59 59.241 59.241 55.381 3.860 18942 268 1 . 1 1 59 59 LYS CB C 59 32.863 32.863 32.589 0.274 18942 269 1 . 1 1 59 59 LYS H H 59 7.793 7.793 7.477 0.316 18942 270 1 . 1 1 60 60 TYR N N 60 115.388 115.388 117.214 -1.826 18942 271 1 . 1 1 60 60 TYR C C 60 176.551 176.551 175.225 1.326 18942 272 1 . 1 1 60 60 TYR CA C 60 56.785 56.785 56.929 -0.144 18942 273 1 . 1 1 60 60 TYR CB C 60 40.587 40.587 39.124 1.463 18942 274 1 . 1 1 60 60 TYR H H 60 8.838 8.838 7.605 1.232 18942 275 1 . 1 1 61 61 SER N N 61 113.454 113.454 115.019 -1.565 18942 276 1 . 1 1 61 61 SER C C 61 172.093 172.093 173.360 -1.267 18942 277 1 . 1 1 61 61 SER CA C 61 57.686 57.686 58.503 -0.817 18942 278 1 . 1 1 61 61 SER CB C 61 64.641 64.641 65.206 -0.565 18942 279 1 . 1 1 61 61 SER H H 61 8.869 8.869 8.860 0.009 18942 280 1 . 1 1 62 62 SER N N 62 110.923 110.923 114.197 -3.274 18942 281 1 . 1 1 62 62 SER C C 62 174.355 174.355 174.678 -0.323 18942 282 1 . 1 1 62 62 SER CA C 62 56.928 56.928 56.971 -0.043 18942 283 1 . 1 1 62 62 SER CB C 62 67.154 67.154 65.972 1.182 18942 284 1 . 1 1 62 62 SER H H 62 7.236 7.236 7.659 -0.423 18942 285 1 . 1 1 63 63 THR N N 63 120.405 120.405 118.586 1.819 18942 286 1 . 1 1 63 63 THR C C 63 175.543 175.543 176.181 -0.638 18942 287 1 . 1 1 63 63 THR CA C 63 69.245 69.245 67.733 1.512 18942 288 1 . 1 1 63 63 THR CB C 63 67.203 67.203 68.697 -1.494 18942 289 1 . 1 1 63 63 THR H H 63 9.263 9.263 8.583 0.680 18942 290 1 . 1 1 64 64 GLU N N 64 119.002 119.002 121.277 -2.275 18942 291 1 . 1 1 64 64 GLU C C 64 178.754 178.754 178.476 0.278 18942 292 1 . 1 1 64 64 GLU CA C 64 60.437 60.437 59.962 0.475 18942 293 1 . 1 1 64 64 GLU CB C 64 29.466 29.466 29.192 0.274 18942 294 1 . 1 1 64 64 GLU H H 64 8.873 8.873 8.575 0.298 18942 295 1 . 1 1 65 65 GLU N N 65 114.467 114.467 119.182 -4.715 18942 296 1 . 1 1 65 65 GLU CA C 65 59.051 59.051 59.101 -0.051 18942 297 1 . 1 1 65 65 GLU CB C 65 31.338 31.338 29.573 1.765 18942 298 1 . 1 1 65 65 GLU H H 65 7.299 7.299 7.725 -0.426 18942 299 1 . 1 1 66 66 VAL N N 66 118.486 118.486 119.729 -1.242 18942 300 1 . 1 1 66 66 VAL C C 66 176.723 176.723 177.952 -1.229 18942 301 1 . 1 1 66 66 VAL CA C 66 66.018 66.018 66.088 -0.070 18942 302 1 . 1 1 66 66 VAL CB C 66 31.535 31.535 31.534 0.001 18942 303 1 . 1 1 66 66 VAL H H 66 7.361 7.361 7.722 -0.361 18942 304 1 . 1 1 67 67 LEU N N 67 119.314 119.314 121.597 -2.283 18942 305 1 . 1 1 67 67 LEU C C 67 180.087 180.087 178.443 1.644 18942 306 1 . 1 1 67 67 LEU CA C 67 58.000 58.000 58.124 -0.124 18942 307 1 . 1 1 67 67 LEU CB C 67 41.941 41.941 41.912 0.029 18942 308 1 . 1 1 67 67 LEU H H 67 8.154 8.154 8.206 -0.052 18942 309 1 . 1 1 68 68 VAL N N 68 117.110 117.110 118.341 -1.231 18942 310 1 . 1 1 68 68 VAL C C 68 179.736 179.736 177.461 2.275 18942 311 1 . 1 1 68 68 VAL CA C 68 66.193 66.193 65.958 0.236 18942 312 1 . 1 1 68 68 VAL CB C 68 32.196 32.196 31.663 0.533 18942 313 1 . 1 1 68 68 VAL H H 68 7.110 7.110 8.312 -1.202 18942 314 1 . 1 1 69 69 ALA N N 69 119.661 119.661 121.680 -2.019 18942 315 1 . 1 1 69 69 ALA C C 69 181.653 181.653 178.930 2.723 18942 316 1 . 1 1 69 69 ALA CA C 69 55.080 55.080 54.778 0.302 18942 317 1 . 1 1 69 69 ALA CB C 69 20.080 20.080 17.408 2.672 18942 318 1 . 1 1 69 69 ALA H H 69 6.970 6.970 7.766 -0.796 18942 319 1 . 1 1 70 70 ALA N N 70 120.071 120.071 120.659 -0.588 18942 320 1 . 1 1 70 70 ALA C C 70 178.758 178.758 178.957 -0.199 18942 321 1 . 1 1 70 70 ALA CA C 70 55.103 55.103 55.187 -0.084 18942 322 1 . 1 1 70 70 ALA CB C 70 18.097 18.097 18.608 -0.512 18942 323 1 . 1 1 70 70 ALA H H 70 8.881 8.881 7.963 0.918 18942 324 1 . 1 1 71 71 LYS N N 71 112.889 112.889 115.476 -2.587 18942 325 1 . 1 1 71 71 LYS C C 71 177.551 177.551 178.047 -0.496 18942 326 1 . 1 1 71 71 LYS CA C 71 58.190 58.190 57.864 0.326 18942 327 1 . 1 1 71 71 LYS CB C 71 32.837 32.837 32.352 0.485 18942 328 1 . 1 1 71 71 LYS H H 71 7.124 7.124 7.678 -0.554 18942 329 1 . 1 1 72 72 LYS N N 72 114.633 114.633 120.044 -5.411 18942 330 1 . 1 1 72 72 LYS C C 72 176.789 176.789 177.150 -0.361 18942 331 1 . 1 1 72 72 LYS CA C 72 55.865 55.865 57.920 -2.055 18942 332 1 . 1 1 72 72 LYS CB C 72 33.407 33.407 33.483 -0.076 18942 333 1 . 1 1 72 72 LYS H H 72 7.150 7.150 7.588 -0.438 18942 334 1 . 1 1 73 73 ILE N N 73 120.045 120.045 122.053 -2.008 18942 335 1 . 1 1 73 73 ILE C C 73 176.494 176.494 174.903 1.591 18942 336 1 . 1 1 73 73 ILE CA C 73 63.029 63.029 61.853 1.176 18942 337 1 . 1 1 73 73 ILE CB C 73 37.347 37.347 37.003 0.344 18942 338 1 . 1 1 73 73 ILE H H 73 7.164 7.164 7.918 -0.754 18942 339 1 . 1 1 74 74 VAL N N 74 126.199 126.199 122.599 3.600 18942 340 1 . 1 1 74 74 VAL C C 74 174.021 174.021 174.242 -0.221 18942 341 1 . 1 1 74 74 VAL CA C 74 59.647 59.647 59.675 -0.028 18942 342 1 . 1 1 74 74 VAL CB C 74 33.973 33.973 33.891 0.082 18942 343 1 . 1 1 74 74 VAL H H 74 8.174 8.174 7.730 0.444 18942 344 1 . 1 1 75 75 GLN N N 75 123.009 123.009 123.419 -0.410 18942 345 1 . 1 1 75 75 GLN CA C 75 55.478 55.478 54.957 0.521 18942 346 1 . 1 1 75 75 GLN CB C 75 27.131 27.131 29.522 -2.391 18942 347 1 . 1 1 75 75 GLN H H 75 7.569 7.569 6.976 0.593 18942 348 1 . 1 1 76 76 ARG N N 76 129.740 129.740 123.031 6.709 18942 349 1 . 1 1 76 76 ARG C C 76 178.628 178.628 176.132 2.496 18942 350 1 . 1 1 76 76 ARG CA C 76 57.917 57.917 56.007 1.910 18942 351 1 . 1 1 76 76 ARG CB C 76 29.779 29.779 30.905 -1.126 18942 352 1 . 1 1 76 76 ARG H H 76 9.670 9.670 8.585 1.085 18942 353 1 . 1 1 77 77 GLY N N 77 106.443 106.443 105.956 0.487 18942 354 1 . 1 1 77 77 GLY C C 77 174.221 174.221 172.961 1.260 18942 355 1 . 1 1 77 77 GLY CA C 77 44.916 44.916 44.706 0.210 18942 356 1 . 1 1 77 77 GLY H H 77 7.360 7.360 7.750 -0.390 18942 357 1 . 1 1 78 78 GLY N N 78 103.622 103.622 108.012 -4.390 18942 358 1 . 1 1 78 78 GLY C C 78 172.710 172.710 173.600 -0.889 18942 359 1 . 1 1 78 78 GLY CA C 78 46.986 46.986 44.489 2.497 18942 360 1 . 1 1 78 78 GLY H H 78 7.851 7.851 8.208 -0.358 18942 361 1 . 1 1 79 79 ARG N N 79 124.452 124.452 121.454 2.998 18942 362 1 . 1 1 79 79 ARG C C 79 174.484 174.484 175.975 -1.491 18942 363 1 . 1 1 79 79 ARG CA C 79 57.437 57.437 56.192 1.245 18942 364 1 . 1 1 79 79 ARG CB C 79 30.338 30.338 31.184 -0.846 18942 365 1 . 1 1 79 79 ARG H H 79 9.952 9.952 9.152 0.800 18942 366 1 . 1 1 80 80 GLN N N 80 113.887 113.887 117.092 -3.205 18942 367 1 . 1 1 80 80 GLN C C 80 173.824 173.824 173.878 -0.054 18942 368 1 . 1 1 80 80 GLN CA C 80 55.041 55.041 54.886 0.155 18942 369 1 . 1 1 80 80 GLN CB C 80 35.655 35.655 33.150 2.505 18942 370 1 . 1 1 80 80 GLN H H 80 7.411 7.411 7.757 -0.346 18942 371 1 . 1 1 81 81 THR N N 81 117.791 117.791 119.201 -1.410 18942 372 1 . 1 1 81 81 THR C C 81 175.393 175.393 173.217 2.176 18942 373 1 . 1 1 81 81 THR CA C 81 62.222 62.222 61.831 0.392 18942 374 1 . 1 1 81 81 THR CB C 81 71.140 71.140 69.850 1.290 18942 375 1 . 1 1 81 81 THR H H 81 11.198 11.198 8.682 2.516 18942 376 1 . 1 1 82 82 MET N N 82 128.338 128.338 127.698 0.640 18942 377 1 . 1 1 82 82 MET C C 82 175.011 175.011 176.270 -1.259 18942 378 1 . 1 1 82 82 MET CA C 82 52.078 52.078 53.237 -1.159 18942 379 1 . 1 1 82 82 MET CB C 82 29.146 29.146 33.442 -4.296 18942 380 1 . 1 1 82 82 MET H H 82 8.679 8.679 9.118 -0.439 18942 381 1 . 1 1 83 83 THR N N 83 120.032 120.032 119.928 0.104 18942 382 1 . 1 1 83 83 THR C C 83 175.014 175.014 175.841 -0.827 18942 383 1 . 1 1 83 83 THR CA C 83 65.627 65.627 66.427 -0.800 18942 384 1 . 1 1 83 83 THR CB C 83 69.254 69.254 68.832 0.422 18942 385 1 . 1 1 83 83 THR H H 83 6.986 6.986 8.941 -1.955 18942 386 1 . 1 1 84 84 ALA N N 84 126.207 126.207 123.489 2.718 18942 387 1 . 1 1 84 84 ALA C C 84 179.500 179.500 179.121 0.380 18942 388 1 . 1 1 84 84 ALA CA C 84 56.069 56.069 54.839 1.230 18942 389 1 . 1 1 84 84 ALA CB C 84 16.730 16.730 18.122 -1.392 18942 390 1 . 1 1 84 84 ALA H H 84 10.069 10.069 8.175 1.894 18942 391 1 . 1 1 85 85 LEU N N 85 119.501 119.501 119.337 0.164 18942 392 1 . 1 1 85 85 LEU C C 85 181.098 181.098 178.946 2.152 18942 393 1 . 1 1 85 85 LEU CA C 85 57.906 57.906 57.345 0.561 18942 394 1 . 1 1 85 85 LEU CB C 85 41.768 41.768 41.642 0.126 18942 395 1 . 1 1 85 85 LEU H H 85 8.166 8.166 7.520 0.646 18942 396 1 . 1 1 86 86 GLY N N 86 110.546 110.546 107.770 2.776 18942 397 1 . 1 1 86 86 GLY C C 86 174.135 174.135 176.076 -1.941 18942 398 1 . 1 1 86 86 GLY CA C 86 47.323 47.323 47.073 0.250 18942 399 1 . 1 1 86 86 GLY H H 86 8.720 8.720 7.792 0.928 18942 400 1 . 1 1 87 87 ILE N N 87 120.213 120.213 121.987 -1.774 18942 401 1 . 1 1 87 87 ILE C C 87 177.503 177.503 177.393 0.110 18942 402 1 . 1 1 87 87 ILE CA C 87 66.253 66.253 64.567 1.686 18942 403 1 . 1 1 87 87 ILE CB C 87 38.911 38.911 37.281 1.630 18942 404 1 . 1 1 87 87 ILE H H 87 8.141 8.141 7.932 0.209 18942 405 1 . 1 1 88 88 ASP N N 88 118.326 118.326 120.206 -1.880 18942 406 1 . 1 1 88 88 ASP C C 88 178.751 178.751 178.620 0.131 18942 407 1 . 1 1 88 88 ASP CA C 88 57.569 57.569 57.779 -0.210 18942 408 1 . 1 1 88 88 ASP CB C 88 43.248 43.248 40.998 2.250 18942 409 1 . 1 1 88 88 ASP H H 88 8.512 8.512 8.390 0.122 18942 410 1 . 1 1 89 89 THR N N 89 112.028 112.028 116.136 -4.108 18942 411 1 . 1 1 89 89 THR C C 89 176.400 176.400 176.228 0.172 18942 412 1 . 1 1 89 89 THR CA C 89 68.345 68.345 65.544 2.801 18942 413 1 . 1 1 89 89 THR CB C 89 67.082 67.082 69.001 -1.919 18942 414 1 . 1 1 89 89 THR H H 89 8.470 8.470 8.046 0.424 18942 415 1 . 1 1 90 90 ALA N N 90 124.209 124.209 124.563 -0.354 18942 416 1 . 1 1 90 90 ALA C C 90 178.756 178.756 178.881 -0.125 18942 417 1 . 1 1 90 90 ALA CA C 90 56.016 56.016 55.134 0.882 18942 418 1 . 1 1 90 90 ALA CB C 90 19.009 19.009 18.380 0.629 18942 419 1 . 1 1 90 90 ALA H H 90 8.159 8.159 8.162 -0.003 18942 420 1 . 1 1 91 91 ARG N N 91 116.481 116.481 116.215 0.266 18942 421 1 . 1 1 91 91 ARG C C 91 177.990 177.990 177.822 0.169 18942 422 1 . 1 1 91 91 ARG CA C 91 60.729 60.729 58.965 1.764 18942 423 1 . 1 1 91 91 ARG CB C 91 29.918 29.918 30.095 -0.178 18942 424 1 . 1 1 91 91 ARG H H 91 8.479 8.479 8.106 0.373 18942 425 1 . 1 1 92 92 LYS N N 92 113.675 113.675 116.972 -3.297 18942 426 1 . 1 1 92 92 LYS C C 92 178.208 178.208 177.068 1.140 18942 427 1 . 1 1 92 92 LYS CA C 92 58.980 58.980 57.772 1.208 18942 428 1 . 1 1 92 92 LYS CB C 92 34.233 34.233 33.044 1.189 18942 429 1 . 1 1 92 92 LYS H H 92 8.073 8.073 7.472 0.601 18942 430 1 . 1 1 93 93 GLU N N 93 112.950 112.950 118.084 -5.134 18942 431 1 . 1 1 93 93 GLU C C 93 178.160 178.160 177.341 0.819 18942 432 1 . 1 1 93 93 GLU CA C 93 57.300 57.300 57.861 -0.561 18942 433 1 . 1 1 93 93 GLU CB C 93 33.059 33.059 30.848 2.211 18942 434 1 . 1 1 93 93 GLU H H 93 8.678 8.678 8.093 0.585 18942 435 1 . 1 1 94 94 ALA N N 94 119.150 119.150 123.177 -4.027 18942 436 1 . 1 1 94 94 ALA C C 94 177.262 177.262 178.878 -1.616 18942 437 1 . 1 1 94 94 ALA CA C 94 55.111 55.111 54.050 1.061 18942 438 1 . 1 1 94 94 ALA CB C 94 20.213 20.213 19.184 1.029 18942 439 1 . 1 1 94 94 ALA H H 94 8.529 8.529 7.692 0.837 18942 440 1 . 1 1 95 95 PHE N N 95 111.282 111.282 118.796 -7.514 18942 441 1 . 1 1 95 95 PHE C C 95 175.308 175.308 174.752 0.556 18942 442 1 . 1 1 95 95 PHE CA C 95 56.984 56.984 56.829 0.155 18942 443 1 . 1 1 95 95 PHE CB C 95 37.965 37.965 37.645 0.320 18942 444 1 . 1 1 95 95 PHE H H 95 6.981 6.981 8.005 -1.023 18942 445 1 . 1 1 96 96 THR N N 96 106.274 106.274 112.333 -6.058 18942 446 1 . 1 1 96 96 THR CA C 96 59.540 59.540 59.717 -0.177 18942 447 1 . 1 1 96 96 THR CB C 96 71.910 71.910 71.581 0.330 18942 448 1 . 1 1 96 96 THR H H 96 6.842 6.842 7.530 -0.688 18942 449 1 . 1 1 98 98 ALA C C 98 179.284 179.284 178.872 0.412 18942 450 1 . 1 1 98 98 ALA CA C 98 55.021 55.021 54.045 0.976 18942 451 1 . 1 1 98 98 ALA CB C 98 18.656 18.656 18.520 0.136 18942 452 1 . 1 1 99 99 ARG N N 99 114.439 114.439 117.093 -2.654 18942 453 1 . 1 1 99 99 ARG C C 99 174.052 174.052 175.952 -1.900 18942 454 1 . 1 1 99 99 ARG CA C 99 56.715 56.715 54.768 1.947 18942 455 1 . 1 1 99 99 ARG CB C 99 30.274 30.274 30.562 -0.288 18942 456 1 . 1 1 99 99 ARG H H 99 7.061 7.061 7.739 -0.678 18942 457 1 . 1 1 100 100 GLY N N 100 101.608 101.608 105.926 -4.318 18942 458 1 . 1 1 100 100 GLY C C 100 174.164 174.164 173.602 0.562 18942 459 1 . 1 1 100 100 GLY CA C 100 45.710 45.710 44.800 0.911 18942 460 1 . 1 1 100 100 GLY H H 100 7.496 7.496 7.757 -0.261 18942 461 1 . 1 1 101 101 ALA N N 101 123.007 123.007 122.886 0.121 18942 462 1 . 1 1 101 101 ALA C C 101 177.955 177.955 177.246 0.709 18942 463 1 . 1 1 101 101 ALA CA C 101 53.120 53.120 51.594 1.526 18942 464 1 . 1 1 101 101 ALA CB C 101 18.525 18.525 20.277 -1.752 18942 465 1 . 1 1 101 101 ALA H H 101 7.691 7.691 7.792 -0.101 18942 466 1 . 1 1 102 102 ARG N N 102 124.837 124.837 122.653 2.184 18942 467 1 . 1 1 102 102 ARG C C 102 176.459 176.459 176.605 -0.146 18942 468 1 . 1 1 102 102 ARG CA C 102 55.186 55.186 54.672 0.514 18942 469 1 . 1 1 102 102 ARG CB C 102 32.273 32.273 31.084 1.189 18942 470 1 . 1 1 102 102 ARG H H 102 9.456 9.456 9.193 0.263 18942 471 1 . 1 1 103 103 ARG N N 103 123.729 123.729 121.907 1.822 18942 472 1 . 1 1 103 103 ARG CA C 103 57.793 57.793 56.376 1.416 18942 473 1 . 1 1 103 103 ARG CB C 103 30.039 30.039 29.868 0.171 18942 474 1 . 1 1 103 103 ARG H H 103 8.520 8.520 8.618 -0.098 18942 475 1 . 1 1 104 104 GLY N N 104 108.061 108.061 110.527 -2.465 18942 476 1 . 1 1 104 104 GLY CA C 104 45.909 45.909 44.829 1.080 18942 477 1 . 1 1 104 104 GLY H H 104 8.345 8.345 8.430 -0.085 18942 478 1 . 1 1 105 105 VAL N N 105 118.807 118.807 119.424 -0.617 18942 479 1 . 1 1 105 105 VAL C C 105 176.102 176.102 174.834 1.268 18942 480 1 . 1 1 105 105 VAL CA C 105 61.805 61.805 60.482 1.323 18942 481 1 . 1 1 105 105 VAL CB C 105 31.820 31.820 33.247 -1.427 18942 482 1 . 1 1 105 105 VAL H H 105 7.298 7.298 7.900 -0.602 18942 483 1 . 1 1 106 106 LYS N N 106 127.841 127.841 124.275 3.566 18942 484 1 . 1 1 106 106 LYS C C 106 174.143 174.143 175.429 -1.286 18942 485 1 . 1 1 106 106 LYS CA C 106 57.647 57.647 56.677 0.970 18942 486 1 . 1 1 106 106 LYS CB C 106 33.387 33.387 31.498 1.889 18942 487 1 . 1 1 106 106 LYS H H 106 8.288 8.288 8.492 -0.204 18942 488 1 . 1 1 107 107 LYS N N 107 122.939 122.939 123.701 -0.762 18942 489 1 . 1 1 107 107 LYS C C 107 176.540 176.540 175.662 0.878 18942 490 1 . 1 1 107 107 LYS CA C 107 55.587 55.587 55.586 0.001 18942 491 1 . 1 1 107 107 LYS CB C 107 35.607 35.607 33.129 2.478 18942 492 1 . 1 1 107 107 LYS H H 107 8.401 8.401 8.360 0.041 18942 493 1 . 1 1 108 108 VAL N N 108 122.376 122.376 125.457 -3.081 18942 494 1 . 1 1 108 108 VAL C C 108 174.507 174.507 174.855 -0.348 18942 495 1 . 1 1 108 108 VAL CA C 108 60.011 60.011 60.670 -0.659 18942 496 1 . 1 1 108 108 VAL CB C 108 36.923 36.923 34.878 2.045 18942 497 1 . 1 1 108 108 VAL H H 108 8.940 8.940 9.165 -0.225 18942 498 1 . 1 1 109 109 MET N N 109 124.377 124.377 126.140 -1.763 18942 499 1 . 1 1 109 109 MET C C 109 175.232 175.232 174.838 0.394 18942 500 1 . 1 1 109 109 MET CA C 109 54.123 54.123 54.680 -0.557 18942 501 1 . 1 1 109 109 MET CB C 109 39.360 39.360 35.360 4.000 18942 502 1 . 1 1 109 109 MET H H 109 9.599 9.599 9.364 0.235 18942 503 1 . 1 1 110 110 VAL N N 110 123.296 123.296 125.389 -2.093 18942 504 1 . 1 1 110 110 VAL CA C 110 61.198 61.198 61.651 -0.453 18942 505 1 . 1 1 110 110 VAL CB C 110 34.175 34.175 33.284 0.891 18942 506 1 . 1 1 110 110 VAL H H 110 8.484 8.484 9.324 -0.840 18942 507 1 . 1 1 111 111 ILE N N 111 128.689 128.689 127.601 1.088 18942 508 1 . 1 1 111 111 ILE C C 111 173.965 173.965 174.745 -0.780 18942 509 1 . 1 1 111 111 ILE CA C 111 61.337 61.337 59.573 1.764 18942 510 1 . 1 1 111 111 ILE CB C 111 41.289 41.289 41.517 -0.228 18942 511 1 . 1 1 111 111 ILE H H 111 9.330 9.330 9.127 0.203 18942 512 1 . 1 1 112 112 VAL N N 112 127.498 127.498 125.902 1.596 18942 513 1 . 1 1 112 112 VAL C C 112 174.932 174.932 174.939 -0.007 18942 514 1 . 1 1 112 112 VAL CA C 112 60.642 60.642 60.286 0.356 18942 515 1 . 1 1 112 112 VAL CB C 112 33.190 33.190 34.038 -0.848 18942 516 1 . 1 1 112 112 VAL H H 112 8.376 8.376 8.436 -0.060 18942 517 1 . 1 1 113 113 THR N N 113 116.756 116.756 121.014 -4.258 18942 518 1 . 1 1 113 113 THR C C 113 170.881 170.881 173.215 -2.334 18942 519 1 . 1 1 113 113 THR CA C 113 60.693 60.693 61.138 -0.445 18942 520 1 . 1 1 113 113 THR CB C 113 67.772 67.772 70.506 -2.734 18942 521 1 . 1 1 113 113 THR H H 113 8.521 8.521 8.824 -0.303 18942 522 1 . 1 1 114 114 ASP N N 114 122.719 122.719 124.058 -1.339 18942 523 1 . 1 1 114 114 ASP C C 114 177.015 177.015 176.454 0.561 18942 524 1 . 1 1 114 114 ASP CA C 114 54.041 54.041 54.118 -0.077 18942 525 1 . 1 1 114 114 ASP CB C 114 42.671 42.671 42.330 0.341 18942 526 1 . 1 1 114 114 ASP H H 114 7.341 7.341 8.620 -1.279 18942 527 1 . 1 1 115 115 GLY N N 115 103.370 103.370 107.806 -4.436 18942 528 1 . 1 1 115 115 GLY C C 115 171.751 171.751 173.431 -1.680 18942 529 1 . 1 1 115 115 GLY CA C 115 46.670 46.670 45.240 1.430 18942 530 1 . 1 1 115 115 GLY H H 115 7.312 7.312 8.013 -0.701 18942 531 1 . 1 1 116 116 GLU N N 116 120.631 120.631 120.695 -0.064 18942 532 1 . 1 1 116 116 GLU C C 116 175.037 175.037 175.275 -0.238 18942 533 1 . 1 1 116 116 GLU CA C 116 54.252 54.252 55.199 -0.947 18942 534 1 . 1 1 116 116 GLU CB C 116 27.313 27.313 30.737 -3.424 18942 535 1 . 1 1 116 116 GLU H H 116 7.332 7.332 8.392 -1.060 18942 536 1 . 1 1 117 117 SER N N 117 116.730 116.730 119.153 -2.423 18942 537 1 . 1 1 117 117 SER C C 117 176.356 176.356 174.109 2.247 18942 538 1 . 1 1 117 117 SER CA C 117 57.832 57.832 58.575 -0.743 18942 539 1 . 1 1 117 117 SER CB C 117 66.407 66.407 62.880 3.527 18942 540 1 . 1 1 117 117 SER H H 117 7.964 7.964 8.532 -0.568 18942 541 1 . 1 1 118 118 HIS N N 118 115.543 115.543 122.030 -6.487 18942 542 1 . 1 1 118 118 HIS C C 118 176.602 176.602 174.823 1.779 18942 543 1 . 1 1 118 118 HIS CA C 118 59.291 59.291 57.514 1.777 18942 544 1 . 1 1 118 118 HIS CB C 118 32.819 32.819 30.380 2.439 18942 545 1 . 1 1 118 118 HIS H H 118 9.274 9.274 8.401 0.873 18942 546 1 . 1 1 119 119 ASP N N 119 120.197 120.197 118.607 1.590 18942 547 1 . 1 1 119 119 ASP CA C 119 52.565 52.565 53.080 -0.515 18942 548 1 . 1 1 119 119 ASP CB C 119 40.309 40.309 41.857 -1.548 18942 549 1 . 1 1 119 119 ASP H H 119 8.160 8.160 8.109 0.051 18942 550 1 . 1 1 120 120 ASN CA C 120 56.154 56.154 54.083 2.072 18942 551 1 . 1 1 120 120 ASN CB C 120 38.139 38.139 38.330 -0.191 18942 552 1 . 1 1 121 121 HIS CA C 121 58.471 58.471 60.241 -1.770 18942 553 1 . 1 1 121 121 HIS CB C 121 29.510 29.510 29.825 -0.315 18942 554 1 . 1 1 122 122 ARG N N 122 117.636 117.636 119.477 -1.841 18942 555 1 . 1 1 122 122 ARG CA C 122 55.611 55.611 59.258 -3.647 18942 556 1 . 1 1 122 122 ARG CB C 122 31.786 31.786 30.204 1.582 18942 557 1 . 1 1 122 122 ARG H H 122 7.299 7.299 8.507 -1.208 18942 558 1 . 1 1 123 123 LEU N N 123 119.507 119.507 120.314 -0.807 18942 559 1 . 1 1 123 123 LEU CA C 123 58.471 58.471 58.203 0.268 18942 560 1 . 1 1 123 123 LEU CB C 123 42.176 42.176 41.198 0.979 18942 561 1 . 1 1 123 123 LEU H H 123 7.065 7.065 7.830 -0.765 18942 562 1 . 1 1 124 124 LYS N N 124 116.723 116.723 118.191 -1.468 18942 563 1 . 1 1 124 124 LYS CA C 124 60.473 60.473 59.269 1.203 18942 564 1 . 1 1 124 124 LYS CB C 124 31.875 31.875 31.777 0.098 18942 565 1 . 1 1 124 124 LYS H H 124 8.426 8.426 7.981 0.445 18942 566 1 . 1 1 125 125 LYS N N 125 119.329 119.329 120.180 -0.851 18942 567 1 . 1 1 125 125 LYS CA C 125 58.352 58.352 58.780 -0.428 18942 568 1 . 1 1 125 125 LYS CB C 125 31.484 31.484 32.113 -0.629 18942 569 1 . 1 1 125 125 LYS H H 125 7.746 7.746 7.486 0.260 18942 570 1 . 1 1 126 126 VAL N N 126 117.688 117.688 119.977 -2.289 18942 571 1 . 1 1 126 126 VAL C C 126 178.187 178.187 178.412 -0.225 18942 572 1 . 1 1 126 126 VAL CA C 126 66.142 66.142 66.553 -0.411 18942 573 1 . 1 1 126 126 VAL CB C 126 31.976 31.976 31.709 0.267 18942 574 1 . 1 1 126 126 VAL H H 126 7.450 7.450 8.202 -0.752 18942 575 1 . 1 1 127 127 ILE N N 127 120.125 120.125 120.658 -0.533 18942 576 1 . 1 1 127 127 ILE C C 127 178.008 178.008 178.107 -0.099 18942 577 1 . 1 1 127 127 ILE CA C 127 63.283 63.283 64.299 -1.016 18942 578 1 . 1 1 127 127 ILE CB C 127 35.369 35.369 37.519 -2.149 18942 579 1 . 1 1 127 127 ILE H H 127 8.653 8.653 8.333 0.320 18942 580 1 . 1 1 128 128 GLN N N 128 121.110 121.110 119.678 1.432 18942 581 1 . 1 1 128 128 GLN C C 128 178.258 178.258 178.148 0.110 18942 582 1 . 1 1 128 128 GLN CA C 128 58.797 58.797 59.288 -0.491 18942 583 1 . 1 1 128 128 GLN CB C 128 27.505 27.505 28.229 -0.724 18942 584 1 . 1 1 128 128 GLN H H 128 8.009 8.009 8.150 -0.141 18942 585 1 . 1 1 129 129 ASP N N 129 119.024 119.024 121.065 -2.041 18942 586 1 . 1 1 129 129 ASP C C 129 179.705 179.705 178.480 1.225 18942 587 1 . 1 1 129 129 ASP CA C 129 58.062 58.062 57.648 0.414 18942 588 1 . 1 1 129 129 ASP CB C 129 39.777 39.777 40.753 -0.976 18942 589 1 . 1 1 129 129 ASP H H 129 8.428 8.428 8.109 0.320 18942 590 1 . 1 1 130 130 CYS N N 130 115.536 115.536 117.931 -2.395 18942 591 1 . 1 1 130 130 CYS C C 130 176.824 176.824 176.462 0.362 18942 592 1 . 1 1 130 130 CYS CA C 130 64.211 64.211 62.621 1.590 18942 593 1 . 1 1 130 130 CYS CB C 130 27.770 27.770 27.254 0.516 18942 594 1 . 1 1 130 130 CYS H H 130 7.608 7.608 8.354 -0.746 18942 595 1 . 1 1 131 131 GLU N N 131 123.098 123.098 121.552 1.546 18942 596 1 . 1 1 131 131 GLU C C 131 180.904 180.904 178.461 2.443 18942 597 1 . 1 1 131 131 GLU CA C 131 59.010 59.010 59.348 -0.338 18942 598 1 . 1 1 131 131 GLU CB C 131 29.418 29.418 29.493 -0.075 18942 599 1 . 1 1 131 131 GLU H H 131 8.538 8.538 8.205 0.333 18942 600 1 . 1 1 132 132 ASP N N 132 121.058 121.058 119.638 1.420 18942 601 1 . 1 1 132 132 ASP C C 132 177.666 177.666 178.001 -0.335 18942 602 1 . 1 1 132 132 ASP CA C 132 57.002 57.002 56.562 0.440 18942 603 1 . 1 1 132 132 ASP CB C 132 40.439 40.439 41.046 -0.607 18942 604 1 . 1 1 132 132 ASP H H 132 8.844 8.844 7.869 0.975 18942 605 1 . 1 1 133 133 GLU N N 133 116.312 116.312 116.926 -0.614 18942 606 1 . 1 1 133 133 GLU C C 133 174.841 174.841 175.669 -0.828 18942 607 1 . 1 1 133 133 GLU CA C 133 56.298 56.298 56.498 -0.200 18942 608 1 . 1 1 133 133 GLU CB C 133 30.266 30.266 30.089 0.177 18942 609 1 . 1 1 133 133 GLU H H 133 6.997 6.997 7.844 -0.847 18942 610 1 . 1 1 134 134 ASN N N 134 113.879 113.879 114.827 -0.948 18942 611 1 . 1 1 134 134 ASN C C 134 174.994 174.994 174.452 0.542 18942 612 1 . 1 1 134 134 ASN CA C 134 54.449 54.449 54.034 0.415 18942 613 1 . 1 1 134 134 ASN CB C 134 37.147 37.147 36.516 0.631 18942 614 1 . 1 1 134 134 ASN H H 134 8.069 8.069 7.734 0.335 18942 615 1 . 1 1 135 135 ILE N N 135 118.502 118.502 119.316 -0.814 18942 616 1 . 1 1 135 135 ILE C C 135 175.226 175.226 175.804 -0.578 18942 617 1 . 1 1 135 135 ILE CA C 135 61.286 61.286 61.355 -0.069 18942 618 1 . 1 1 135 135 ILE CB C 135 39.056 39.056 39.039 0.017 18942 619 1 . 1 1 135 135 ILE H H 135 7.583 7.583 8.229 -0.646 18942 620 1 . 1 1 136 136 GLN N N 136 131.359 131.359 126.103 5.256 18942 621 1 . 1 1 136 136 GLN C C 136 174.743 174.743 174.796 -0.053 18942 622 1 . 1 1 136 136 GLN CA C 136 56.088 56.088 55.150 0.938 18942 623 1 . 1 1 136 136 GLN CB C 136 29.385 29.385 28.777 0.608 18942 624 1 . 1 1 136 136 GLN H H 136 7.950 7.950 8.429 -0.479 18942 625 1 . 1 1 137 137 ARG N N 137 124.191 124.191 123.559 0.632 18942 626 1 . 1 1 137 137 ARG C C 137 175.598 175.598 174.917 0.681 18942 627 1 . 1 1 137 137 ARG CA C 137 54.853 54.853 54.651 0.202 18942 628 1 . 1 1 137 137 ARG CB C 137 31.120 31.120 32.236 -1.116 18942 629 1 . 1 1 137 137 ARG H H 137 9.182 9.182 8.121 1.061 18942 630 1 . 1 1 138 138 PHE N N 138 121.323 121.323 123.271 -1.948 18942 631 1 . 1 1 138 138 PHE C C 138 175.241 175.241 174.758 0.483 18942 632 1 . 1 1 138 138 PHE CA C 138 56.641 56.641 56.749 -0.109 18942 633 1 . 1 1 138 138 PHE CB C 138 42.394 42.394 42.662 -0.268 18942 634 1 . 1 1 138 138 PHE H H 138 9.214 9.214 9.208 0.006 18942 635 1 . 1 1 139 139 SER N N 139 118.044 118.044 118.765 -0.721 18942 636 1 . 1 1 139 139 SER C C 139 171.137 171.137 173.510 -2.373 18942 637 1 . 1 1 139 139 SER CA C 139 55.777 55.777 57.312 -1.535 18942 638 1 . 1 1 139 139 SER CB C 139 66.783 66.783 64.692 2.091 18942 639 1 . 1 1 139 139 SER H H 139 9.601 9.601 9.175 0.426 18942 640 1 . 1 1 140 140 ILE N N 140 123.236 123.236 124.488 -1.252 18942 641 1 . 1 1 140 140 ILE C C 140 174.822 174.822 174.249 0.573 18942 642 1 . 1 1 140 140 ILE CA C 140 56.556 56.556 58.403 -1.847 18942 643 1 . 1 1 140 140 ILE CB C 140 37.629 37.629 39.354 -1.725 18942 644 1 . 1 1 140 140 ILE H H 140 9.066 9.066 8.907 0.159 18942 645 1 . 1 1 141 141 ALA N N 141 125.375 125.375 129.302 -3.927 18942 646 1 . 1 1 141 141 ALA C C 141 177.131 177.131 175.472 1.659 18942 647 1 . 1 1 141 141 ALA CA C 141 51.117 51.117 49.781 1.336 18942 648 1 . 1 1 141 141 ALA CB C 141 21.403 21.403 21.648 -0.245 18942 649 1 . 1 1 141 141 ALA H H 141 8.790 8.790 8.695 0.095 18942 650 1 . 1 1 142 142 ILE N N 142 123.744 123.744 124.524 -0.779 18942 651 1 . 1 1 142 142 ILE C C 142 174.758 174.758 174.035 0.723 18942 652 1 . 1 1 142 142 ILE CA C 142 58.193 58.193 60.044 -1.851 18942 653 1 . 1 1 142 142 ILE CB C 142 39.082 39.082 40.588 -1.506 18942 654 1 . 1 1 142 142 ILE H H 142 7.973 7.973 7.961 0.012 18942 655 1 . 1 1 143 143 LEU N N 143 123.041 123.041 125.435 -2.394 18942 656 1 . 1 1 143 143 LEU CA C 143 54.972 54.972 53.912 1.060 18942 657 1 . 1 1 143 143 LEU CB C 143 43.790 43.790 44.394 -0.604 18942 658 1 . 1 1 143 143 LEU H H 143 8.019 8.019 8.080 -0.061 18942 659 1 . 1 1 144 144 GLY N N 144 108.993 108.993 106.688 2.305 18942 660 1 . 1 1 144 144 GLY CA C 144 46.239 46.239 44.485 1.754 18942 661 1 . 1 1 144 144 GLY H H 144 8.581 8.581 8.264 0.317 18942 662 1 . 1 1 145 145 SER N N 145 114.953 114.953 116.248 -1.294 18942 663 1 . 1 1 145 145 SER CA C 145 58.614 58.614 58.590 0.025 18942 664 1 . 1 1 145 145 SER CB C 145 63.966 63.966 63.115 0.851 18942 665 1 . 1 1 145 145 SER H H 145 8.589 8.589 8.153 0.436 18942 666 1 . 1 1 146 146 TYR N N 146 117.249 117.249 122.147 -4.898 18942 667 1 . 1 1 146 146 TYR CA C 146 56.684 56.684 58.732 -2.048 18942 668 1 . 1 1 146 146 TYR CB C 146 39.174 39.174 37.391 1.782 18942 669 1 . 1 1 146 146 TYR H H 146 7.476 7.476 8.004 -0.528 18942 670 1 . 1 1 147 147 ASN CA C 147 53.886 53.886 53.589 0.297 18942 671 1 . 1 1 147 147 ASN CB C 147 38.657 38.657 39.257 -0.600 18942 672 1 . 1 1 148 148 ARG N N 148 123.288 123.288 122.327 0.961 18942 673 1 . 1 1 148 148 ARG CA C 148 55.535 55.535 55.872 -0.337 18942 674 1 . 1 1 148 148 ARG CB C 148 30.764 30.764 30.563 0.201 18942 675 1 . 1 1 148 148 ARG H H 148 8.404 8.404 8.552 -0.148 18942 676 1 . 1 1 149 149 GLY N N 149 107.339 107.339 109.235 -1.896 18942 677 1 . 1 1 149 149 GLY CA C 149 45.929 45.929 44.554 1.375 18942 678 1 . 1 1 149 149 GLY H H 149 8.224 8.224 7.929 0.295 18942 679 1 . 1 1 150 150 ASN N N 150 119.090 119.090 120.933 -1.843 18942 680 1 . 1 1 150 150 ASN C C 150 175.341 175.341 175.614 -0.273 18942 681 1 . 1 1 150 150 ASN CA C 150 53.387 53.387 52.832 0.555 18942 682 1 . 1 1 150 150 ASN CB C 150 38.706 38.706 37.504 1.202 18942 683 1 . 1 1 150 150 ASN H H 150 8.309 8.309 8.642 -0.333 18942 684 1 . 1 1 151 151 LEU N N 151 121.177 121.177 120.945 0.232 18942 685 1 . 1 1 151 151 LEU C C 151 177.527 177.527 176.701 0.827 18942 686 1 . 1 1 151 151 LEU CA C 151 55.737 55.737 54.984 0.753 18942 687 1 . 1 1 151 151 LEU CB C 151 42.673 42.673 42.384 0.289 18942 688 1 . 1 1 151 151 LEU H H 151 7.929 7.929 7.919 0.010 18942 689 1 . 1 1 152 152 SER N N 152 115.325 115.325 113.477 1.849 18942 690 1 . 1 1 152 152 SER C C 152 175.354 175.354 175.591 -0.237 18942 691 1 . 1 1 152 152 SER CA C 152 57.739 57.739 58.542 -0.803 18942 692 1 . 1 1 152 152 SER CB C 152 63.247 63.247 62.153 1.094 18942 693 1 . 1 1 152 152 SER H H 152 8.185 8.185 8.136 0.049 18942 694 1 . 1 1 153 153 THR N N 153 115.287 115.287 117.210 -1.923 18942 695 1 . 1 1 153 153 THR C C 153 175.758 175.758 175.971 -0.213 18942 696 1 . 1 1 153 153 THR CA C 153 63.577 63.577 65.588 -2.011 18942 697 1 . 1 1 153 153 THR CB C 153 69.280 69.280 68.746 0.534 18942 698 1 . 1 1 153 153 THR H H 153 8.134 8.134 8.626 -0.492 18942 699 1 . 1 1 154 154 GLU N N 154 121.501 121.501 120.940 0.561 18942 700 1 . 1 1 154 154 GLU C C 154 178.589 178.589 178.521 0.068 18942 701 1 . 1 1 154 154 GLU CA C 154 59.978 59.978 59.005 0.973 18942 702 1 . 1 1 154 154 GLU CB C 154 29.348 29.348 28.742 0.606 18942 703 1 . 1 1 154 154 GLU H H 154 8.342 8.342 8.522 -0.180 18942 704 1 . 1 1 155 155 LYS N N 155 117.473 117.473 118.725 -1.252 18942 705 1 . 1 1 155 155 LYS C C 155 179.039 179.039 178.728 0.311 18942 706 1 . 1 1 155 155 LYS CA C 155 58.776 58.776 57.696 1.080 18942 707 1 . 1 1 155 155 LYS CB C 155 31.843 31.843 31.991 -0.148 18942 708 1 . 1 1 155 155 LYS H H 155 7.752 7.752 7.685 0.067 18942 709 1 . 1 1 156 156 PHE N N 156 120.254 120.254 117.907 2.347 18942 710 1 . 1 1 156 156 PHE C C 156 178.765 178.765 177.692 1.073 18942 711 1 . 1 1 156 156 PHE CA C 156 57.339 57.339 59.824 -2.485 18942 712 1 . 1 1 156 156 PHE CB C 156 37.037 37.037 39.413 -2.376 18942 713 1 . 1 1 156 156 PHE H H 156 7.072 7.072 7.501 -0.428 18942 714 1 . 1 1 157 157 VAL N N 157 118.268 118.268 118.664 -0.396 18942 715 1 . 1 1 157 157 VAL C C 157 177.861 177.861 177.464 0.397 18942 716 1 . 1 1 157 157 VAL CA C 157 67.455 67.455 65.934 1.521 18942 717 1 . 1 1 157 157 VAL CB C 157 31.863 31.863 31.674 0.189 18942 718 1 . 1 1 157 157 VAL H H 157 8.007 8.007 8.102 -0.095 18942 719 1 . 1 1 158 158 GLU N N 158 117.100 117.100 120.196 -3.096 18942 720 1 . 1 1 158 158 GLU C C 158 179.377 179.377 178.389 0.988 18942 721 1 . 1 1 158 158 GLU CA C 158 59.491 59.491 59.757 -0.266 18942 722 1 . 1 1 158 158 GLU CB C 158 29.346 29.346 28.826 0.520 18942 723 1 . 1 1 158 158 GLU H H 158 7.875 7.875 8.282 -0.407 18942 724 1 . 1 1 159 159 GLU N N 159 119.959 119.959 118.246 1.713 18942 725 1 . 1 1 159 159 GLU C C 159 179.622 179.622 178.107 1.515 18942 726 1 . 1 1 159 159 GLU CA C 159 60.351 60.351 58.573 1.778 18942 727 1 . 1 1 159 159 GLU CB C 159 29.359 29.359 29.232 0.127 18942 728 1 . 1 1 159 159 GLU H H 159 7.746 7.746 8.048 -0.302 18942 729 1 . 1 1 160 160 ILE N N 160 119.530 119.530 118.802 0.728 18942 730 1 . 1 1 160 160 ILE C C 160 180.262 180.262 177.802 2.460 18942 731 1 . 1 1 160 160 ILE CA C 160 66.305 66.305 63.366 2.939 18942 732 1 . 1 1 160 160 ILE CB C 160 39.319 39.319 38.572 0.746 18942 733 1 . 1 1 160 160 ILE H H 160 8.094 8.094 7.492 0.602 18942 734 1 . 1 1 161 161 LYS N N 161 121.437 121.437 121.221 0.216 18942 735 1 . 1 1 161 161 LYS C C 161 178.518 178.518 178.588 -0.070 18942 736 1 . 1 1 161 161 LYS CA C 161 60.656 60.656 59.351 1.305 18942 737 1 . 1 1 161 161 LYS CB C 161 32.601 32.601 31.359 1.242 18942 738 1 . 1 1 161 161 LYS H H 161 8.500 8.500 8.317 0.183 18942 739 1 . 1 1 162 162 SER N N 162 113.380 113.380 115.302 -1.922 18942 740 1 . 1 1 162 162 SER C C 162 174.773 174.773 175.195 -0.422 18942 741 1 . 1 1 162 162 SER CA C 162 61.208 61.208 60.528 0.680 18942 742 1 . 1 1 162 162 SER CB C 162 62.725 62.725 62.800 -0.075 18942 743 1 . 1 1 162 162 SER H H 162 7.653 7.653 7.740 -0.087 18942 744 1 . 1 1 163 163 ILE N N 163 121.115 121.115 120.261 0.854 18942 745 1 . 1 1 163 163 ILE C C 163 175.371 175.371 175.548 -0.177 18942 746 1 . 1 1 163 163 ILE CA C 163 62.854 62.854 63.120 -0.266 18942 747 1 . 1 1 163 163 ILE CB C 163 39.637 39.637 38.134 1.503 18942 748 1 . 1 1 163 163 ILE H H 163 7.068 7.068 7.346 -0.278 18942 749 1 . 1 1 164 164 ALA N N 164 120.332 120.332 121.136 -0.804 18942 750 1 . 1 1 164 164 ALA C C 164 178.713 178.713 177.072 1.641 18942 751 1 . 1 1 164 164 ALA CA C 164 52.553 52.553 51.383 1.170 18942 752 1 . 1 1 164 164 ALA CB C 164 19.820 19.820 19.119 0.701 18942 753 1 . 1 1 164 164 ALA H H 164 6.801 6.801 7.405 -0.604 18942 754 1 . 1 1 165 165 SER N N 165 120.959 120.959 119.353 1.606 18942 755 1 . 1 1 165 165 SER C C 165 171.079 171.079 174.963 -3.884 18942 756 1 . 1 1 165 165 SER CA C 165 61.464 61.464 59.776 1.688 18942 757 1 . 1 1 165 165 SER CB C 165 61.858 61.858 63.645 -1.787 18942 758 1 . 1 1 165 165 SER H H 165 8.656 8.656 8.549 0.107 18942 759 1 . 1 1 166 166 GLU N N 166 116.428 116.428 121.346 -4.918 18942 760 1 . 1 1 166 166 GLU CA C 166 54.147 54.147 54.057 0.090 18942 761 1 . 1 1 166 166 GLU CB C 166 30.057 30.057 29.383 0.674 18942 762 1 . 1 1 166 166 GLU H H 166 7.949 7.949 7.873 0.076 18942 763 1 . 1 1 167 167 PRO CA C 167 61.784 61.784 63.650 -1.866 18942 764 1 . 1 1 167 167 PRO CB C 167 34.469 34.469 32.084 2.385 18942 765 1 . 1 1 168 168 THR C C 168 176.433 176.433 176.350 0.083 18942 766 1 . 1 1 168 168 THR CA C 168 67.606 67.606 65.468 2.138 18942 767 1 . 1 1 168 168 THR CB C 168 69.086 69.086 68.842 0.244 18942 768 1 . 1 1 169 169 GLU N N 169 118.116 118.116 120.161 -2.045 18942 769 1 . 1 1 169 169 GLU C C 169 177.434 177.434 177.237 0.197 18942 770 1 . 1 1 169 169 GLU CA C 169 58.949 58.949 58.583 0.366 18942 771 1 . 1 1 169 169 GLU CB C 169 28.571 28.571 29.362 -0.791 18942 772 1 . 1 1 169 169 GLU H H 169 9.598 9.598 8.684 0.914 18942 773 1 . 1 1 170 170 LYS N N 170 114.965 114.965 113.509 1.456 18942 774 1 . 1 1 170 170 LYS C C 170 173.967 173.967 176.265 -2.298 18942 775 1 . 1 1 170 170 LYS CA C 170 56.221 56.221 55.999 0.222 18942 776 1 . 1 1 170 170 LYS CB C 170 33.814 33.814 32.890 0.924 18942 777 1 . 1 1 170 170 LYS H H 170 7.300 7.300 7.521 -0.221 18942 778 1 . 1 1 171 171 HIS N N 171 112.017 112.017 116.250 -4.233 18942 779 1 . 1 1 171 171 HIS C C 171 171.860 171.860 173.119 -1.259 18942 780 1 . 1 1 171 171 HIS CA C 171 57.840 57.840 56.806 1.034 18942 781 1 . 1 1 171 171 HIS CB C 171 33.695 33.695 33.617 0.078 18942 782 1 . 1 1 171 171 HIS H H 171 7.198 7.198 7.952 -0.754 18942 783 1 . 1 1 172 172 PHE N N 172 121.188 121.188 121.385 -0.197 18942 784 1 . 1 1 172 172 PHE C C 172 172.383 172.383 173.183 -0.799 18942 785 1 . 1 1 172 172 PHE CA C 172 55.210 55.210 56.639 -1.429 18942 786 1 . 1 1 172 172 PHE CB C 172 41.412 41.412 41.562 -0.150 18942 787 1 . 1 1 172 172 PHE H H 172 7.342 7.342 8.250 -0.908 18942 788 1 . 1 1 173 173 PHE N N 173 120.855 120.855 122.540 -1.685 18942 789 1 . 1 1 173 173 PHE C C 173 173.751 173.751 172.944 0.808 18942 790 1 . 1 1 173 173 PHE CA C 173 55.895 55.895 56.026 -0.131 18942 791 1 . 1 1 173 173 PHE CB C 173 45.217 45.217 41.414 3.803 18942 792 1 . 1 1 173 173 PHE H H 173 8.012 8.012 8.184 -0.172 18942 793 1 . 1 1 174 174 ASN N N 174 118.624 118.624 118.038 0.586 18942 794 1 . 1 1 174 174 ASN C C 174 176.826 176.826 176.838 -0.012 18942 795 1 . 1 1 174 174 ASN CA C 174 53.298 53.298 52.075 1.223 18942 796 1 . 1 1 174 174 ASN CB C 174 40.549 40.549 40.437 0.112 18942 797 1 . 1 1 174 174 ASN H H 174 8.760 8.760 8.532 0.228 18942 798 1 . 1 1 175 175 VAL N N 175 122.779 122.779 122.034 0.745 18942 799 1 . 1 1 175 175 VAL C C 175 174.743 174.743 176.203 -1.459 18942 800 1 . 1 1 175 175 VAL CA C 175 64.542 64.542 65.314 -0.771 18942 801 1 . 1 1 175 175 VAL CB C 175 32.081 32.081 31.382 0.699 18942 802 1 . 1 1 175 175 VAL H H 175 8.349 8.349 8.170 0.179 18942 803 1 . 1 1 176 176 SER N N 176 111.983 111.983 110.877 1.106 18942 804 1 . 1 1 176 176 SER C C 176 174.583 174.583 173.888 0.695 18942 805 1 . 1 1 176 176 SER CA C 176 57.972 57.972 58.911 -0.939 18942 806 1 . 1 1 176 176 SER CB C 176 63.722 63.722 63.260 0.462 18942 807 1 . 1 1 176 176 SER H H 176 7.933 7.933 7.945 -0.012 18942 808 1 . 1 1 177 177 ASP N N 177 122.321 122.321 121.847 0.474 18942 809 1 . 1 1 177 177 ASP C C 177 178.008 178.008 175.783 2.225 18942 810 1 . 1 1 177 177 ASP CA C 177 54.315 54.315 53.310 1.005 18942 811 1 . 1 1 177 177 ASP CB C 177 41.687 41.687 42.397 -0.710 18942 812 1 . 1 1 177 177 ASP H H 177 7.696 7.696 7.520 0.176 18942 813 1 . 1 1 178 178 GLU N N 178 128.610 128.610 125.522 3.088 18942 814 1 . 1 1 178 178 GLU C C 178 177.787 177.787 177.365 0.422 18942 815 1 . 1 1 178 178 GLU CA C 178 59.124 59.124 57.744 1.380 18942 816 1 . 1 1 178 178 GLU CB C 178 29.724 29.724 29.599 0.125 18942 817 1 . 1 1 178 178 GLU H H 178 9.211 9.211 8.796 0.415 18942 818 1 . 1 1 179 179 LEU N N 179 117.532 117.532 121.207 -3.675 18942 819 1 . 1 1 179 179 LEU C C 179 178.646 178.646 178.174 0.472 18942 820 1 . 1 1 179 179 LEU CA C 179 55.075 55.075 56.526 -1.451 18942 821 1 . 1 1 179 179 LEU CB C 179 41.784 41.784 41.497 0.287 18942 822 1 . 1 1 179 179 LEU H H 179 8.683 8.683 8.163 0.520 18942 823 1 . 1 1 180 180 ALA N N 180 123.387 123.387 122.107 1.280 18942 824 1 . 1 1 180 180 ALA C C 180 178.175 178.175 179.022 -0.847 18942 825 1 . 1 1 180 180 ALA CA C 180 55.957 55.957 54.593 1.364 18942 826 1 . 1 1 180 180 ALA CB C 180 19.321 19.321 17.827 1.495 18942 827 1 . 1 1 180 180 ALA H H 180 7.627 7.627 8.334 -0.706 18942 828 1 . 1 1 181 181 LEU N N 181 114.375 114.375 118.060 -3.685 18942 829 1 . 1 1 181 181 LEU C C 181 178.681 178.681 178.681 -0.000 18942 830 1 . 1 1 181 181 LEU CA C 181 58.132 58.132 57.248 0.884 18942 831 1 . 1 1 181 181 LEU CB C 181 41.138 41.138 41.462 -0.324 18942 832 1 . 1 1 181 181 LEU H H 181 7.638 7.638 7.474 0.164 18942 833 1 . 1 1 182 182 VAL N N 182 113.683 113.683 118.839 -5.156 18942 834 1 . 1 1 182 182 VAL C C 182 178.401 178.401 177.784 0.617 18942 835 1 . 1 1 182 182 VAL CA C 182 65.175 65.175 66.591 -1.417 18942 836 1 . 1 1 182 182 VAL CB C 182 31.975 31.975 31.340 0.635 18942 837 1 . 1 1 182 182 VAL H H 182 7.448 7.448 7.431 0.017 18942 838 1 . 1 1 183 183 THR N N 183 116.081 116.081 117.325 -1.244 18942 839 1 . 1 1 183 183 THR C C 183 176.701 176.701 176.622 0.079 18942 840 1 . 1 1 183 183 THR CA C 183 66.999 66.999 66.773 0.226 18942 841 1 . 1 1 183 183 THR CB C 183 67.885 67.885 68.524 -0.639 18942 842 1 . 1 1 183 183 THR H H 183 7.527 7.527 7.625 -0.098 18942 843 1 . 1 1 184 184 ILE N N 184 124.157 124.157 122.345 1.812 18942 844 1 . 1 1 184 184 ILE C C 184 177.072 177.072 177.515 -0.443 18942 845 1 . 1 1 184 184 ILE CA C 184 66.514 66.514 64.171 2.343 18942 846 1 . 1 1 184 184 ILE CB C 184 38.229 38.229 36.906 1.323 18942 847 1 . 1 1 184 184 ILE H H 184 8.406 8.406 7.672 0.734 18942 848 1 . 1 1 185 185 VAL N N 185 115.165 115.165 120.105 -4.940 18942 849 1 . 1 1 185 185 VAL C C 185 178.544 178.544 177.967 0.577 18942 850 1 . 1 1 185 185 VAL CA C 185 67.002 67.002 66.761 0.242 18942 851 1 . 1 1 185 185 VAL CB C 185 31.006 31.006 31.265 -0.259 18942 852 1 . 1 1 185 185 VAL H H 185 7.429 7.429 7.753 -0.324 18942 853 1 . 1 1 186 186 LYS N N 186 119.326 119.326 118.151 1.175 18942 854 1 . 1 1 186 186 LYS C C 186 179.109 179.109 178.575 0.534 18942 855 1 . 1 1 186 186 LYS CA C 186 59.496 59.496 59.126 0.371 18942 856 1 . 1 1 186 186 LYS CB C 186 32.866 32.866 32.072 0.794 18942 857 1 . 1 1 186 186 LYS H H 186 7.659 7.659 8.093 -0.434 18942 858 1 . 1 1 187 187 THR N N 187 116.582 116.582 115.042 1.540 18942 859 1 . 1 1 187 187 THR C C 187 177.056 177.056 176.758 0.298 18942 860 1 . 1 1 187 187 THR CA C 187 66.358 66.358 65.441 0.917 18942 861 1 . 1 1 187 187 THR CB C 187 69.105 69.105 69.203 -0.098 18942 862 1 . 1 1 187 187 THR H H 187 8.377 8.377 7.534 0.843 18942 863 1 . 1 1 188 188 LEU N N 188 121.469 121.469 121.617 -0.148 18942 864 1 . 1 1 188 188 LEU C C 188 178.177 178.177 178.375 -0.198 18942 865 1 . 1 1 188 188 LEU CA C 188 57.524 57.524 56.760 0.764 18942 866 1 . 1 1 188 188 LEU CB C 188 42.316 42.316 41.613 0.703 18942 867 1 . 1 1 188 188 LEU H H 188 8.262 8.262 8.419 -0.157 18942 868 1 . 1 1 189 189 GLY N N 189 104.655 104.655 105.340 -0.685 18942 869 1 . 1 1 189 189 GLY C C 189 174.400 174.400 174.920 -0.520 18942 870 1 . 1 1 189 189 GLY CA C 189 45.967 45.967 45.247 0.720 18942 871 1 . 1 1 189 189 GLY H H 189 7.898 7.898 7.720 0.178 18942 872 1 . 1 1 190 190 GLU N N 190 119.430 119.430 120.233 -0.803 18942 873 1 . 1 1 190 190 GLU C C 190 176.344 176.344 177.140 -0.796 18942 874 1 . 1 1 190 190 GLU CA C 190 56.871 56.871 55.223 1.648 18942 875 1 . 1 1 190 190 GLU CB C 190 30.653 30.653 30.851 -0.199 18942 876 1 . 1 1 190 190 GLU H H 190 7.630 7.630 7.511 0.119 18942 877 1 . 1 1 191 191 ARG N N 191 121.191 121.191 119.447 1.744 18942 878 1 . 1 1 191 191 ARG C C 191 175.205 175.205 176.061 -0.856 18942 879 1 . 1 1 191 191 ARG CA C 191 56.061 56.061 57.827 -1.766 18942 880 1 . 1 1 191 191 ARG CB C 191 30.856 30.856 30.574 0.282 18942 881 1 . 1 1 191 191 ARG H H 191 8.126 8.126 8.701 -0.575 18942 stop_ save_