data_19687 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19687 _Entry.PDB_ID 2MIM 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 19687 _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 5 5 GLY CA C 5 45.663 45.663 46.921 -1.258 19687 2 1 1 . 1 1 6 6 GLN N N 6 117.952 117.952 118.878 -0.926 19687 3 1 1 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.233 -0.034 19687 4 1 1 . 1 1 6 6 GLN CA C 6 55.767 55.767 55.592 0.175 19687 5 1 1 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.516 0.667 19687 6 1 1 . 1 1 6 6 GLN H H 6 8.143 8.143 8.215 -0.072 19687 7 1 1 . 1 1 7 7 GLU N N 7 120.150 120.150 118.806 1.344 19687 8 1 1 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.474 -0.384 19687 9 1 1 . 1 1 7 7 GLU CA C 7 57.080 57.080 54.249 2.831 19687 10 1 1 . 1 1 7 7 GLU CB C 7 30.461 30.461 30.942 -0.481 19687 11 1 1 . 1 1 7 7 GLU H H 7 8.468 8.468 7.559 0.909 19687 12 1 1 . 1 1 8 8 GLU N N 8 117.498 117.498 121.287 -3.789 19687 13 1 1 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.008 0.432 19687 14 1 1 . 1 1 8 8 GLU CA C 8 55.256 55.256 59.510 -4.254 19687 15 1 1 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.521 4.284 19687 16 1 1 . 1 1 8 8 GLU H H 8 7.997 7.997 8.801 -0.804 19687 17 1 1 . 1 1 9 9 PHE N N 9 121.043 121.043 115.835 5.208 19687 18 1 1 . 1 1 9 9 PHE H H 9 8.459 8.459 8.093 0.366 19687 19 1 1 . 1 1 10 10 ALA N N 10 120.252 120.252 120.440 -0.188 19687 20 1 1 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.088 0.514 19687 21 1 1 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.290 -1.140 19687 22 1 1 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.756 3.544 19687 23 1 1 . 1 1 10 10 ALA H H 10 7.566 7.566 7.650 -0.084 19687 24 1 1 . 1 1 11 11 VAL N N 11 119.476 119.476 116.794 2.682 19687 25 1 1 . 1 1 11 11 VAL HA H 11 4.234 4.234 4.831 -0.597 19687 26 1 1 . 1 1 11 11 VAL CA C 11 61.953 61.953 59.746 2.207 19687 27 1 1 . 1 1 11 11 VAL CB C 11 35.067 35.067 33.203 1.864 19687 28 1 1 . 1 1 11 11 VAL H H 11 8.440 8.440 7.936 0.504 19687 29 1 1 . 1 1 12 12 GLU N N 12 126.837 126.837 125.450 1.387 19687 30 1 1 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.783 -0.235 19687 31 1 1 . 1 1 12 12 GLU CA C 12 55.013 55.013 54.991 0.022 19687 32 1 1 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.776 0.747 19687 33 1 1 . 1 1 12 12 GLU H H 12 8.787 8.787 9.108 -0.321 19687 34 1 1 . 1 1 13 13 ILE N N 13 124.712 124.712 125.997 -1.285 19687 35 1 1 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.123 0.385 19687 36 1 1 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.721 -1.121 19687 37 1 1 . 1 1 13 13 ILE CB C 13 39.900 39.900 39.010 0.890 19687 38 1 1 . 1 1 13 13 ILE H H 13 8.753 8.753 8.642 0.111 19687 39 1 1 . 1 1 14 14 SER N N 14 121.782 121.782 122.261 -0.479 19687 40 1 1 . 1 1 14 14 SER HA H 14 4.607 4.607 5.068 -0.461 19687 41 1 1 . 1 1 14 14 SER CA C 14 56.398 56.398 57.196 -0.798 19687 42 1 1 . 1 1 14 14 SER CB C 14 63.918 63.918 64.044 -0.126 19687 43 1 1 . 1 1 14 14 SER H H 14 8.475 8.475 8.680 -0.205 19687 44 1 1 . 1 1 15 15 GLY CA C 15 47.494 47.494 47.394 0.100 19687 45 1 1 . 1 1 16 16 THR N N 16 114.515 114.515 118.228 -3.713 19687 46 1 1 . 1 1 16 16 THR HA H 16 4.197 4.197 4.575 -0.378 19687 47 1 1 . 1 1 16 16 THR CA C 16 61.600 61.600 61.154 0.446 19687 48 1 1 . 1 1 16 16 THR CB C 16 68.800 68.800 68.829 -0.029 19687 49 1 1 . 1 1 16 16 THR H H 16 8.636 8.636 8.110 0.526 19687 50 1 1 . 1 1 17 17 THR N N 17 118.332 118.332 118.678 -0.346 19687 51 1 1 . 1 1 17 17 THR HA H 17 5.004 5.004 4.994 0.010 19687 52 1 1 . 1 1 17 17 THR CA C 17 62.095 62.095 62.565 -0.470 19687 53 1 1 . 1 1 17 17 THR CB C 17 70.105 70.105 72.373 -2.268 19687 54 1 1 . 1 1 17 17 THR H H 17 8.353 8.353 8.031 0.322 19687 55 1 1 . 1 1 18 18 VAL N N 18 127.794 127.794 127.559 0.235 19687 56 1 1 . 1 1 18 18 VAL HA H 18 4.580 4.580 4.932 -0.352 19687 57 1 1 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.435 1.863 19687 58 1 1 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.844 -1.479 19687 59 1 1 . 1 1 18 18 VAL H H 18 8.843 8.843 8.601 0.242 19687 60 1 1 . 1 1 19 19 THR N N 19 121.651 121.651 125.274 -3.623 19687 61 1 1 . 1 1 19 19 THR CA C 19 62.635 62.635 60.867 1.768 19687 62 1 1 . 1 1 19 19 THR CB C 19 69.854 69.854 70.922 -1.068 19687 63 1 1 . 1 1 19 19 THR H H 19 8.953 8.953 9.007 -0.054 19687 64 1 1 . 1 1 20 20 ILE N N 20 106.781 106.781 123.612 -16.831 19687 65 1 1 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.510 -0.447 19687 66 1 1 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.272 0.043 19687 67 1 1 . 1 1 20 20 ILE CB C 20 41.200 41.200 42.072 -0.872 19687 68 1 1 . 1 1 20 20 ILE H H 20 9.426 9.426 8.709 0.717 19687 69 1 1 . 1 1 21 21 THR N N 21 121.256 121.256 121.034 0.222 19687 70 1 1 . 1 1 21 21 THR HA H 21 5.160 5.160 4.779 0.381 19687 71 1 1 . 1 1 21 21 THR CA C 21 62.116 62.116 62.266 -0.149 19687 72 1 1 . 1 1 21 21 THR CB C 21 70.105 70.105 70.511 -0.406 19687 73 1 1 . 1 1 21 21 THR H H 21 9.245 9.245 8.467 0.778 19687 74 1 1 . 1 1 22 22 CYS N N 22 123.311 123.311 125.490 -2.179 19687 75 1 1 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.372 -1.651 19687 76 1 1 . 1 1 22 22 CYS CA C 22 53.933 53.933 54.891 -0.958 19687 77 1 1 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.518 13.575 19687 78 1 1 . 1 1 22 22 CYS H H 22 8.930 8.930 8.171 0.758 19687 79 1 1 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.352 -0.682 19687 80 1 1 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.282 1.184 19687 81 1 1 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.636 0.011 19687 82 1 1 . 1 1 24 24 SER N N 24 107.893 107.893 113.400 -5.507 19687 83 1 1 . 1 1 24 24 SER HA H 24 4.289 4.289 4.279 0.010 19687 84 1 1 . 1 1 24 24 SER CA C 24 58.121 58.121 60.565 -2.444 19687 85 1 1 . 1 1 24 24 SER CB C 24 65.762 65.762 63.607 2.155 19687 86 1 1 . 1 1 24 24 SER H H 24 6.307 6.307 7.743 -1.436 19687 87 1 1 . 1 1 25 25 SER N N 25 113.836 113.836 113.114 0.722 19687 88 1 1 . 1 1 25 25 SER HA H 25 4.469 4.469 4.461 0.008 19687 89 1 1 . 1 1 25 25 SER CA C 25 57.103 57.103 59.129 -2.026 19687 90 1 1 . 1 1 25 25 SER CB C 25 65.185 65.185 63.566 1.619 19687 91 1 1 . 1 1 25 25 SER H H 25 8.121 8.121 7.297 0.824 19687 92 1 1 . 1 1 26 26 GLY N N 26 107.245 107.245 110.676 -3.431 19687 93 1 1 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.282 -0.006 19687 94 1 1 . 1 1 26 26 GLY H H 26 8.194 8.194 8.261 -0.067 19687 95 1 1 . 1 1 27 27 ASP N N 27 116.002 116.002 119.547 -3.545 19687 96 1 1 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.674 -0.205 19687 97 1 1 . 1 1 27 27 ASP CA C 27 55.223 55.223 55.306 -0.083 19687 98 1 1 . 1 1 27 27 ASP CB C 27 41.908 41.908 42.520 -0.612 19687 99 1 1 . 1 1 27 27 ASP H H 27 8.186 8.186 8.447 -0.261 19687 100 1 1 . 1 1 28 28 ASP N N 28 117.805 117.805 119.032 -1.227 19687 101 1 1 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.688 -0.183 19687 102 1 1 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.448 0.366 19687 103 1 1 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.663 0.227 19687 104 1 1 . 1 1 28 28 ASP H H 28 8.319 8.319 8.054 0.265 19687 105 1 1 . 1 1 29 29 ILE N N 29 120.506 120.506 121.141 -0.635 19687 106 1 1 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.088 0.102 19687 107 1 1 . 1 1 29 29 ILE CA C 29 61.156 61.156 61.253 -0.097 19687 108 1 1 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.496 -0.129 19687 109 1 1 . 1 1 29 29 ILE H H 29 7.913 7.913 8.200 -0.287 19687 110 1 1 . 1 1 30 30 LYS N N 30 125.490 125.490 127.092 -1.602 19687 111 1 1 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.611 0.155 19687 112 1 1 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.747 0.006 19687 113 1 1 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.671 1.814 19687 114 1 1 . 1 1 30 30 LYS H H 30 8.177 8.177 8.236 -0.059 19687 115 1 1 . 1 1 31 31 TRP N N 31 121.968 121.968 125.514 -3.546 19687 116 1 1 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.979 0.319 19687 117 1 1 . 1 1 31 31 TRP CA C 31 57.573 57.573 56.907 0.666 19687 118 1 1 . 1 1 31 31 TRP CB C 31 34.076 34.076 30.963 3.113 19687 119 1 1 . 1 1 31 31 TRP H H 31 8.752 8.752 8.798 -0.046 19687 120 1 1 . 1 1 32 32 LYS N N 32 118.343 118.343 118.204 0.139 19687 121 1 1 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.631 -0.408 19687 122 1 1 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.618 -2.021 19687 123 1 1 . 1 1 32 32 LYS CB C 32 35.485 35.485 30.960 4.525 19687 124 1 1 . 1 1 32 32 LYS H H 32 8.876 8.876 8.610 0.266 19687 125 1 1 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.237 0.060 19687 126 1 1 . 1 1 33 33 PRO CA C 33 64.292 64.292 64.978 -0.686 19687 127 1 1 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.930 3.562 19687 128 1 1 . 1 1 34 34 ASP N N 34 119.044 119.044 112.513 6.531 19687 129 1 1 . 1 1 34 34 ASP HA H 34 5.342 5.342 5.039 0.303 19687 130 1 1 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.894 -1.943 19687 131 1 1 . 1 1 34 34 ASP CB C 34 42.122 42.122 42.429 -0.307 19687 132 1 1 . 1 1 34 34 ASP H H 34 8.039 8.039 8.130 -0.091 19687 133 1 1 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.443 -0.109 19687 134 1 1 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.525 0.612 19687 135 1 1 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.101 0.791 19687 136 1 1 . 1 1 36 36 ALA N N 36 117.764 117.764 121.078 -3.314 19687 137 1 1 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.116 0.011 19687 138 1 1 . 1 1 36 36 ALA CA C 36 54.475 54.475 54.096 0.379 19687 139 1 1 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.876 0.039 19687 140 1 1 . 1 1 36 36 ALA H H 36 8.126 8.126 8.087 0.039 19687 141 1 1 . 1 1 37 37 LEU N N 37 115.927 115.927 112.671 3.256 19687 142 1 1 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.549 -0.629 19687 143 1 1 . 1 1 37 37 LEU CA C 37 55.427 55.427 53.090 2.337 19687 144 1 1 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.285 -2.708 19687 145 1 1 . 1 1 37 37 LEU H H 37 7.576 7.576 7.087 0.489 19687 146 1 1 . 1 1 38 38 GLY N N 38 127.283 127.283 107.521 19.762 19687 147 1 1 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.163 1.236 19687 148 1 1 . 1 1 38 38 GLY H H 38 7.341 7.341 7.392 -0.051 19687 149 1 1 . 1 1 39 39 ASP N N 39 122.925 122.925 122.929 -0.004 19687 150 1 1 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.753 -0.194 19687 151 1 1 . 1 1 39 39 ASP CA C 39 53.733 53.733 52.769 0.964 19687 152 1 1 . 1 1 39 39 ASP CB C 39 42.088 42.088 44.386 -2.298 19687 153 1 1 . 1 1 39 39 ASP H H 39 9.095 9.095 8.296 0.799 19687 154 1 1 . 1 1 40 40 ASN N N 40 122.444 122.444 118.622 3.822 19687 155 1 1 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.643 -0.318 19687 156 1 1 . 1 1 40 40 ASN CA C 40 56.339 56.339 54.651 1.688 19687 157 1 1 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.624 -0.187 19687 158 1 1 . 1 1 40 40 ASN H H 40 9.267 9.267 8.589 0.678 19687 159 1 1 . 1 1 41 41 ASN N N 41 119.328 119.328 117.350 1.978 19687 160 1 1 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.275 0.159 19687 161 1 1 . 1 1 41 41 ASN CA C 41 55.053 55.053 54.758 0.295 19687 162 1 1 . 1 1 41 41 ASN CB C 41 37.768 37.768 38.543 -0.775 19687 163 1 1 . 1 1 41 41 ASN H H 41 8.661 8.661 8.906 -0.245 19687 164 1 1 . 1 1 42 42 LYS N N 42 119.592 119.592 116.460 3.132 19687 165 1 1 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.277 0.309 19687 166 1 1 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.687 -0.703 19687 167 1 1 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.645 0.177 19687 168 1 1 . 1 1 42 42 LYS H H 42 8.195 8.195 7.736 0.459 19687 169 1 1 . 1 1 43 43 TYR N N 43 123.577 123.577 121.954 1.623 19687 170 1 1 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.270 -0.495 19687 171 1 1 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.224 1.149 19687 172 1 1 . 1 1 43 43 TYR CB C 43 40.262 40.262 40.209 0.053 19687 173 1 1 . 1 1 43 43 TYR H H 43 8.661 8.661 9.032 -0.371 19687 174 1 1 . 1 1 44 44 ILE N N 44 124.735 124.735 128.240 -3.505 19687 175 1 1 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.000 0.559 19687 176 1 1 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.595 1.618 19687 177 1 1 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.366 3.826 19687 178 1 1 . 1 1 44 44 ILE H H 44 7.239 7.239 8.176 -0.937 19687 179 1 1 . 1 1 45 45 ILE N N 45 126.245 126.245 127.737 -1.492 19687 180 1 1 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.002 -0.128 19687 181 1 1 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.986 -0.434 19687 182 1 1 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.218 1.302 19687 183 1 1 . 1 1 45 45 ILE H H 45 8.984 8.984 8.825 0.160 19687 184 1 1 . 1 1 46 46 GLN N N 46 122.581 122.581 124.584 -2.003 19687 185 1 1 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.543 -0.344 19687 186 1 1 . 1 1 46 46 GLN CA C 46 56.207 56.207 55.013 1.194 19687 187 1 1 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.643 -2.507 19687 188 1 1 . 1 1 46 46 GLN H H 46 8.356 8.356 8.368 -0.012 19687 189 1 1 . 1 1 47 47 ASN N N 47 116.902 116.902 118.559 -1.657 19687 190 1 1 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.323 -0.115 19687 191 1 1 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.447 -1.027 19687 192 1 1 . 1 1 47 47 ASN CB C 47 37.945 37.945 38.233 -0.288 19687 193 1 1 . 1 1 47 47 ASN H H 47 9.115 9.115 8.792 0.323 19687 194 1 1 . 1 1 48 48 HIS N N 48 117.711 117.711 119.175 -1.464 19687 195 1 1 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.325 0.027 19687 196 1 1 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.553 0.120 19687 197 1 1 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.688 1.360 19687 198 1 1 . 1 1 48 48 HIS H H 48 8.727 8.727 8.403 0.324 19687 199 1 1 . 1 1 49 49 ASP N N 49 124.049 124.049 121.020 3.029 19687 200 1 1 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.624 -0.425 19687 201 1 1 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.084 0.726 19687 202 1 1 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.255 -2.023 19687 203 1 1 . 1 1 49 49 ASP H H 49 7.339 7.339 7.562 -0.223 19687 204 1 1 . 1 1 50 50 SER N N 50 100.425 100.425 120.159 -19.734 19687 205 1 1 . 1 1 50 50 SER HA H 50 4.100 4.100 4.359 -0.259 19687 206 1 1 . 1 1 50 50 SER CA C 50 54.542 54.542 59.330 -4.788 19687 207 1 1 . 1 1 50 50 SER CB C 50 61.489 61.489 61.859 -0.370 19687 208 1 1 . 1 1 50 50 SER H H 50 5.420 5.420 8.588 -3.168 19687 209 1 1 . 1 1 51 51 SER N N 51 115.785 115.785 122.395 -6.610 19687 210 1 1 . 1 1 51 51 SER HA H 51 4.619 4.619 4.861 -0.242 19687 211 1 1 . 1 1 51 51 SER CA C 51 57.320 57.320 57.053 0.267 19687 212 1 1 . 1 1 51 51 SER CB C 51 63.171 63.171 63.694 -0.522 19687 213 1 1 . 1 1 51 51 SER H H 51 7.543 7.543 8.000 -0.457 19687 214 1 1 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.871 -0.428 19687 215 1 1 . 1 1 52 52 PRO CA C 52 63.741 63.741 62.068 1.673 19687 216 1 1 . 1 1 52 52 PRO CB C 52 32.821 32.821 33.199 -0.378 19687 217 1 1 . 1 1 53 53 LEU N N 53 120.506 120.506 112.221 8.285 19687 218 1 1 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.436 0.089 19687 219 1 1 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.945 -0.245 19687 220 1 1 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.975 2.325 19687 221 1 1 . 1 1 53 53 LEU H H 53 8.243 8.243 7.523 0.720 19687 222 1 1 . 1 1 54 54 THR N N 54 116.375 116.375 118.760 -2.385 19687 223 1 1 . 1 1 54 54 THR HA H 54 5.307 5.307 4.242 1.065 19687 224 1 1 . 1 1 54 54 THR CA C 54 61.956 61.956 62.937 -0.981 19687 225 1 1 . 1 1 54 54 THR CB C 54 70.170 70.170 69.243 0.927 19687 226 1 1 . 1 1 54 54 THR H H 54 7.839 7.839 8.513 -0.674 19687 227 1 1 . 1 1 55 55 VAL N N 55 123.311 123.311 128.496 -5.185 19687 228 1 1 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.356 0.410 19687 229 1 1 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.237 -0.560 19687 230 1 1 . 1 1 55 55 VAL CB C 55 35.987 35.987 34.254 1.733 19687 231 1 1 . 1 1 55 55 VAL H H 55 8.941 8.941 8.264 0.677 19687 232 1 1 . 1 1 56 56 SER N N 56 115.664 115.664 123.657 -7.993 19687 233 1 1 . 1 1 56 56 SER HA H 56 5.811 5.811 4.949 0.862 19687 234 1 1 . 1 1 56 56 SER CA C 56 56.606 56.606 57.117 -0.511 19687 235 1 1 . 1 1 56 56 SER CB C 56 67.712 67.712 64.619 3.093 19687 236 1 1 . 1 1 56 56 SER H H 56 8.748 8.748 8.520 0.228 19687 237 1 1 . 1 1 57 57 CYS N N 57 113.093 113.093 124.290 -11.197 19687 238 1 1 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.389 0.567 19687 239 1 1 . 1 1 57 57 CYS CA C 57 53.136 53.136 57.785 -4.649 19687 240 1 1 . 1 1 57 57 CYS CB C 57 48.859 48.859 30.966 17.893 19687 241 1 1 . 1 1 57 57 CYS H H 57 8.766 8.766 9.139 -0.373 19687 242 1 1 . 1 1 58 58 THR N N 58 115.221 115.221 123.334 -8.113 19687 243 1 1 . 1 1 58 58 THR HA H 58 4.829 4.829 4.937 -0.108 19687 244 1 1 . 1 1 58 58 THR CA C 58 61.394 61.394 62.125 -0.731 19687 245 1 1 . 1 1 58 58 THR CB C 58 70.872 70.872 70.130 0.742 19687 246 1 1 . 1 1 58 58 THR H H 58 8.440 8.440 8.023 0.417 19687 247 1 1 . 1 1 59 59 ALA N N 59 128.540 128.540 129.267 -0.727 19687 248 1 1 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.729 -0.287 19687 249 1 1 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.279 0.382 19687 250 1 1 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.505 1.725 19687 251 1 1 . 1 1 59 59 ALA H H 59 8.489 8.489 8.034 0.455 19687 252 1 1 . 1 1 60 60 GLY N N 60 114.199 114.199 113.367 0.832 19687 253 1 1 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.109 0.559 19687 254 1 1 . 1 1 60 60 GLY H H 60 9.072 9.072 8.680 0.392 19687 255 1 1 . 1 1 61 61 ASP N N 61 122.847 122.847 125.905 -3.058 19687 256 1 1 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.907 -0.555 19687 257 1 1 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.393 1.212 19687 258 1 1 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.361 -0.083 19687 259 1 1 . 1 1 61 61 ASP H H 61 8.553 8.553 8.509 0.044 19687 260 1 1 . 1 1 62 62 GLN N N 62 117.800 117.800 118.341 -0.541 19687 261 1 1 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.609 -0.419 19687 262 1 1 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.973 0.384 19687 263 1 1 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.886 -1.610 19687 264 1 1 . 1 1 62 62 GLN H H 62 7.703 7.703 7.476 0.227 19687 265 1 1 . 1 1 63 63 GLU N N 63 123.165 123.165 121.446 1.719 19687 266 1 1 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.343 -0.703 19687 267 1 1 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.642 -0.177 19687 268 1 1 . 1 1 63 63 GLU CB C 63 32.603 32.603 33.322 -0.719 19687 269 1 1 . 1 1 63 63 GLU H H 63 8.143 8.143 8.710 -0.567 19687 270 1 1 . 1 1 64 64 HIS N N 64 125.182 125.182 124.514 0.668 19687 271 1 1 . 1 1 64 64 HIS HA H 64 4.764 4.764 4.944 -0.180 19687 272 1 1 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.672 -0.395 19687 273 1 1 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.849 -0.749 19687 274 1 1 . 1 1 64 64 HIS H H 64 8.925 8.925 8.878 0.047 19687 275 1 1 . 1 1 65 65 THR N N 65 120.044 120.044 115.435 4.609 19687 276 1 1 . 1 1 65 65 THR HA H 65 4.996 4.996 5.490 -0.494 19687 277 1 1 . 1 1 65 65 THR CA C 65 63.303 63.303 59.793 3.510 19687 278 1 1 . 1 1 65 65 THR CB C 65 71.145 71.145 71.943 -0.798 19687 279 1 1 . 1 1 65 65 THR H H 65 9.376 9.376 9.178 0.198 19687 280 1 1 . 1 1 66 66 MET N N 66 126.414 126.414 121.650 4.764 19687 281 1 1 . 1 1 66 66 MET HA H 66 5.512 5.512 4.770 0.742 19687 282 1 1 . 1 1 66 66 MET CA C 66 52.610 52.610 55.538 -2.928 19687 283 1 1 . 1 1 66 66 MET CB C 66 36.065 36.065 36.827 -0.762 19687 284 1 1 . 1 1 66 66 MET H H 66 9.422 9.422 8.761 0.661 19687 285 1 1 . 1 1 67 67 TYR N N 67 124.879 124.879 125.947 -1.068 19687 286 1 1 . 1 1 67 67 TYR HA H 67 4.807 4.807 4.825 -0.018 19687 287 1 1 . 1 1 67 67 TYR CA C 67 57.601 57.601 59.664 -2.063 19687 288 1 1 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.357 1.343 19687 289 1 1 . 1 1 67 67 TYR H H 67 9.023 9.023 8.241 0.782 19687 290 1 1 . 1 1 68 68 LEU N N 68 127.991 127.991 129.181 -1.190 19687 291 1 1 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.802 -0.019 19687 292 1 1 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.895 -1.100 19687 293 1 1 . 1 1 68 68 LEU CB C 68 44.966 44.966 43.477 1.489 19687 294 1 1 . 1 1 68 68 LEU H H 68 8.714 8.714 9.070 -0.356 19687 295 1 1 . 1 1 69 69 ASN N N 69 125.992 125.992 124.418 1.574 19687 296 1 1 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.712 -1.254 19687 297 1 1 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.972 -0.665 19687 298 1 1 . 1 1 69 69 ASN CB C 69 37.896 37.896 39.972 -2.076 19687 299 1 1 . 1 1 69 69 ASN H H 69 8.369 8.369 8.552 -0.183 19687 300 1 1 . 1 1 70 70 ALA N N 70 122.336 122.336 124.207 -1.871 19687 301 1 1 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.733 -0.021 19687 302 1 1 . 1 1 70 70 ALA CA C 70 50.121 50.121 52.158 -2.037 19687 303 1 1 . 1 1 70 70 ALA CB C 70 21.166 21.166 21.760 -0.594 19687 304 1 1 . 1 1 70 70 ALA H H 70 8.581 8.581 8.289 0.292 19687 305 1 1 . 1 1 71 71 LYS N N 71 120.661 120.661 120.073 0.588 19687 306 1 1 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.663 -0.356 19687 307 1 1 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.171 -0.215 19687 308 1 1 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.639 -1.772 19687 309 1 1 . 1 1 71 71 LYS H H 71 8.558 8.558 8.451 0.107 19687 310 1 1 . 1 1 72 72 VAL N N 72 114.526 114.526 120.264 -5.738 19687 311 1 1 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.247 0.132 19687 312 1 1 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.388 -1.625 19687 313 1 1 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.742 1.482 19687 314 1 1 . 1 1 72 72 VAL H H 72 8.384 8.384 8.307 0.077 19687 315 1 1 . 1 1 73 73 GLY N N 73 107.198 107.198 114.514 -7.316 19687 316 1 1 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.098 0.256 19687 317 1 1 . 1 1 73 73 GLY H H 73 8.036 8.036 8.499 -0.463 19687 318 1 1 . 1 1 74 74 SER N N 74 113.743 113.743 118.302 -4.559 19687 319 1 1 . 1 1 74 74 SER CA C 74 58.043 58.043 56.769 1.274 19687 320 1 1 . 1 1 74 74 SER CB C 74 64.622 64.622 63.243 1.379 19687 321 1 1 . 1 1 74 74 SER H H 74 8.292 8.292 8.402 -0.110 19687 322 1 1 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.636 -0.491 19687 323 1 1 . 1 1 75 75 ALA CA C 75 53.630 53.630 52.450 1.180 19687 324 1 1 . 1 1 75 75 ALA CB C 75 19.565 19.565 19.806 -0.241 19687 325 1 1 . 1 1 76 76 ASP N N 76 117.216 117.216 118.808 -1.592 19687 326 1 1 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.962 -0.562 19687 327 1 1 . 1 1 76 76 ASP CA C 76 55.110 55.110 53.393 1.717 19687 328 1 1 . 1 1 76 76 ASP CB C 76 41.466 41.466 44.501 -3.035 19687 329 1 1 . 1 1 76 76 ASP H H 76 8.189 8.189 8.100 0.089 19687 330 1 1 . 1 1 77 77 ASP HA H 77 4.101 4.101 5.060 -0.959 19687 331 1 1 . 1 1 77 77 ASP CA C 77 53.040 53.040 53.788 -0.749 19687 332 1 1 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.703 -0.630 19687 333 1 1 . 1 1 82 82 ALA CA C 82 53.462 53.462 51.694 1.768 19687 334 1 1 . 1 1 82 82 ALA CB C 82 19.492 19.492 18.712 0.780 19687 335 1 1 . 1 1 83 83 ALA N N 83 120.555 120.555 124.808 -4.253 19687 336 1 1 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.473 0.449 19687 337 1 1 . 1 1 83 83 ALA CA C 83 53.158 53.158 52.213 0.945 19687 338 1 1 . 1 1 83 83 ALA H H 83 8.048 8.048 8.164 -0.116 19687 339 1 1 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.656 -0.555 19687 340 1 1 . 1 1 96 96 ASP CA C 96 56.270 56.270 54.042 2.228 19687 341 1 1 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.780 0.589 19687 342 1 1 . 1 1 97 97 GLY N N 97 106.760 106.760 109.525 -2.765 19687 343 1 1 . 1 1 97 97 GLY CA C 97 45.934 45.934 45.279 0.655 19687 344 1 1 . 1 1 97 97 GLY H H 97 8.313 8.313 8.155 0.158 19687 345 1 1 . 1 1 98 98 SER N N 98 114.252 114.252 120.348 -6.096 19687 346 1 1 . 1 1 98 98 SER HA H 98 4.281 4.281 4.649 -0.368 19687 347 1 1 . 1 1 98 98 SER CA C 98 59.061 59.061 58.298 0.763 19687 348 1 1 . 1 1 98 98 SER CB C 98 64.152 64.152 64.166 -0.014 19687 349 1 1 . 1 1 98 98 SER H H 98 8.179 8.179 8.328 -0.149 19687 350 1 1 . 1 1 99 99 VAL N N 99 119.765 119.765 124.361 -4.596 19687 351 1 1 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.199 -0.206 19687 352 1 1 . 1 1 99 99 VAL CA C 99 62.728 62.728 61.856 0.872 19687 353 1 1 . 1 1 99 99 VAL CB C 99 32.891 32.891 31.861 1.030 19687 354 1 1 . 1 1 99 99 VAL H H 99 7.978 7.978 8.618 -0.640 19687 355 1 1 . 1 1 100 100 ALA N N 100 126.348 126.348 126.645 -0.297 19687 356 1 1 . 1 1 100 100 ALA HA H 100 4.119 4.119 3.996 0.123 19687 357 1 1 . 1 1 100 100 ALA CA C 100 52.933 52.933 52.946 -0.013 19687 358 1 1 . 1 1 100 100 ALA CB C 100 20.172 20.172 18.474 1.698 19687 359 1 1 . 1 1 100 100 ALA H H 100 8.244 8.244 7.746 0.498 19687 360 1 1 . 1 1 101 101 LYS N N 101 118.495 118.495 117.645 0.850 19687 361 1 1 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.057 0.170 19687 362 1 1 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.756 -0.477 19687 363 1 1 . 1 1 101 101 LYS CB C 101 33.917 33.917 31.215 2.702 19687 364 1 1 . 1 1 101 101 LYS H H 101 8.105 8.105 8.394 -0.289 19687 365 1 1 . 1 1 102 102 LEU N N 102 123.225 123.225 120.485 2.740 19687 366 1 1 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.311 -0.071 19687 367 1 1 . 1 1 102 102 LEU CA C 102 55.200 55.200 55.113 0.087 19687 368 1 1 . 1 1 102 102 LEU CB C 102 43.033 43.033 42.517 0.516 19687 369 1 1 . 1 1 102 102 LEU H H 102 8.308 8.308 7.838 0.470 19687 370 1 1 . 1 1 103 103 GLY N N 103 108.552 108.552 107.739 0.813 19687 371 1 1 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.059 0.228 19687 372 1 1 . 1 1 103 103 GLY H H 103 8.286 8.286 8.775 -0.489 19687 373 1 1 . 1 1 104 104 VAL N N 104 118.898 118.898 118.228 0.670 19687 374 1 1 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.136 0.250 19687 375 1 1 . 1 1 104 104 VAL CA C 104 62.978 62.978 63.212 -0.234 19687 376 1 1 . 1 1 104 104 VAL CB C 104 32.901 32.901 32.792 0.109 19687 377 1 1 . 1 1 104 104 VAL H H 104 7.845 7.845 8.184 -0.339 19687 378 1 1 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.884 -0.187 19687 379 1 1 . 1 1 105 105 HIS CA C 105 55.848 55.848 55.570 0.278 19687 380 1 1 . 1 1 105 105 HIS CB C 105 32.961 32.961 29.472 3.489 19687 381 1 1 . 1 1 106 106 GLY N N 106 108.707 108.707 112.493 -3.786 19687 382 1 1 . 1 1 106 106 GLY CA C 106 45.687 45.687 45.455 0.232 19687 383 1 1 . 1 1 106 106 GLY H H 106 8.318 8.318 8.525 -0.207 19687 384 1 1 . 1 1 107 107 LEU N N 107 121.670 121.670 116.584 5.086 19687 385 1 1 . 1 1 107 107 LEU HA H 107 4.402 4.402 5.059 -0.657 19687 386 1 1 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.073 1.424 19687 387 1 1 . 1 1 107 107 LEU CB C 107 43.632 43.632 45.248 -1.615 19687 388 1 1 . 1 1 107 107 LEU H H 107 8.191 8.191 7.988 0.203 19687 389 1 1 . 1 1 108 108 SER N N 108 118.838 118.838 115.352 3.486 19687 390 1 1 . 1 1 108 108 SER HA H 108 4.704 4.704 4.723 -0.019 19687 391 1 1 . 1 1 108 108 SER CA C 108 57.430 57.430 58.266 -0.836 19687 392 1 1 . 1 1 108 108 SER CB C 108 65.954 65.954 64.347 1.607 19687 393 1 1 . 1 1 108 108 SER H H 108 8.523 8.523 8.393 0.130 19687 394 1 1 . 1 1 109 109 MET N N 109 123.671 123.671 124.392 -0.721 19687 395 1 1 . 1 1 109 109 MET HA H 109 5.118 5.118 4.844 0.274 19687 396 1 1 . 1 1 109 109 MET CA C 109 55.146 55.146 54.907 0.239 19687 397 1 1 . 1 1 109 109 MET CB C 109 35.799 35.799 35.537 0.262 19687 398 1 1 . 1 1 109 109 MET H H 109 8.351 8.351 8.357 -0.006 19687 399 1 1 . 1 1 110 110 SER N N 110 118.211 118.211 115.279 2.932 19687 400 1 1 . 1 1 110 110 SER HA H 110 4.668 4.668 5.203 -0.535 19687 401 1 1 . 1 1 110 110 SER CA C 110 57.103 57.103 56.789 0.314 19687 402 1 1 . 1 1 110 110 SER CB C 110 66.659 66.659 66.893 -0.234 19687 403 1 1 . 1 1 110 110 SER H H 110 9.061 9.061 8.323 0.738 19687 404 1 1 . 1 1 111 111 VAL N N 111 119.042 119.042 117.418 1.624 19687 405 1 1 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.802 -0.512 19687 406 1 1 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.762 1.404 19687 407 1 1 . 1 1 111 111 VAL CB C 111 33.733 33.733 33.864 -0.131 19687 408 1 1 . 1 1 111 111 VAL H H 111 7.923 7.923 8.363 -0.440 19687 409 1 1 . 1 1 112 112 LYS N N 112 126.477 126.477 125.632 0.845 19687 410 1 1 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.640 -0.134 19687 411 1 1 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.545 0.287 19687 412 1 1 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.487 0.468 19687 413 1 1 . 1 1 112 112 LYS H H 112 9.181 9.181 9.107 0.074 19687 414 1 1 . 1 1 113 113 GLU N N 113 121.962 121.962 123.223 -1.261 19687 415 1 1 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.990 0.246 19687 416 1 1 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.407 -0.612 19687 417 1 1 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.106 -0.392 19687 418 1 1 . 1 1 113 113 GLU H H 113 8.410 8.410 8.659 -0.249 19687 419 1 1 . 1 1 114 114 VAL N N 114 122.453 122.453 123.813 -1.360 19687 420 1 1 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.559 -0.399 19687 421 1 1 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.785 1.861 19687 422 1 1 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.577 0.987 19687 423 1 1 . 1 1 114 114 VAL H H 114 8.744 8.744 8.305 0.439 19687 424 1 1 . 1 1 115 115 SER HA H 115 3.884 3.884 4.205 -0.321 19687 425 1 1 . 1 1 115 115 SER CA C 115 58.726 58.726 60.060 -1.334 19687 426 1 1 . 1 1 115 115 SER CB C 115 62.588 62.588 62.692 -0.104 19687 427 1 1 . 1 1 116 116 GLY N N 116 126.353 126.353 112.525 13.828 19687 428 1 1 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.980 -0.214 19687 429 1 1 . 1 1 116 116 GLY H H 116 8.744 8.744 8.158 0.586 19687 430 1 1 . 1 1 117 117 LYS N N 117 120.735 120.735 119.289 1.446 19687 431 1 1 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.733 -0.133 19687 432 1 1 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.826 0.447 19687 433 1 1 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.826 -0.493 19687 434 1 1 . 1 1 117 117 LYS H H 117 7.934 7.934 8.189 -0.255 19687 435 1 1 . 1 1 118 118 VAL N N 118 117.642 117.642 116.648 0.994 19687 436 1 1 . 1 1 118 118 VAL HA H 118 4.157 4.157 5.033 -0.876 19687 437 1 1 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.722 1.023 19687 438 1 1 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.434 0.193 19687 439 1 1 . 1 1 118 118 VAL H H 118 7.619 7.619 7.703 -0.084 19687 440 1 1 . 1 1 119 119 PHE N N 119 121.052 121.052 125.231 -4.179 19687 441 1 1 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.467 -0.254 19687 442 1 1 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.515 -0.047 19687 443 1 1 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.800 1.187 19687 444 1 1 . 1 1 119 119 PHE H H 119 8.860 8.860 8.532 0.328 19687 445 1 1 . 1 1 120 120 LEU N N 120 117.758 117.758 117.813 -0.055 19687 446 1 1 . 1 1 120 120 LEU HA H 120 5.102 5.102 5.121 -0.019 19687 447 1 1 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.246 -1.253 19687 448 1 1 . 1 1 120 120 LEU CB C 120 44.439 44.439 46.907 -2.468 19687 449 1 1 . 1 1 120 120 LEU H H 120 8.576 8.576 8.879 -0.303 19687 450 1 1 . 1 1 121 121 GLN N N 121 116.064 116.064 117.350 -1.286 19687 451 1 1 . 1 1 121 121 GLN HA H 121 4.289 4.289 5.114 -0.825 19687 452 1 1 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.914 0.066 19687 453 1 1 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.216 0.826 19687 454 1 1 . 1 1 121 121 GLN H H 121 8.481 8.481 8.175 0.306 19687 455 1 1 . 1 1 122 122 CYS N N 122 120.052 120.052 117.846 2.206 19687 456 1 1 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.881 0.359 19687 457 1 1 . 1 1 122 122 CYS CA C 122 54.865 54.865 56.907 -2.042 19687 458 1 1 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.511 12.989 19687 459 1 1 . 1 1 122 122 CYS H H 122 9.203 9.203 8.180 1.024 19687 460 1 1 . 1 1 123 123 GLN N N 123 115.174 115.174 121.812 -6.638 19687 461 1 1 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.470 -0.049 19687 462 1 1 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.331 0.351 19687 463 1 1 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.895 2.718 19687 464 1 1 . 1 1 123 123 GLN H H 123 8.106 8.106 8.501 -0.395 19687 465 1 1 . 1 1 124 124 GLU N N 124 120.534 120.534 124.856 -4.322 19687 466 1 1 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.552 -0.404 19687 467 1 1 . 1 1 124 124 GLU CA C 124 55.960 55.960 55.000 0.960 19687 468 1 1 . 1 1 124 124 GLU CB C 124 32.752 32.752 31.725 1.027 19687 469 1 1 . 1 1 124 124 GLU H H 124 8.578 8.578 8.570 0.008 19687 470 1 1 . 1 1 132 132 TYR N N 132 122.981 122.981 118.643 4.338 19687 471 1 1 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.153 0.239 19687 472 1 1 . 1 1 132 132 TYR CA C 132 55.015 55.015 58.538 -3.523 19687 473 1 1 . 1 1 132 132 TYR H H 132 8.286 8.286 8.989 -0.703 19687 474 1 1 . 1 1 133 133 LEU N N 133 122.894 122.894 122.812 0.082 19687 475 1 1 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.554 0.054 19687 476 1 1 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.358 0.797 19687 477 1 1 . 1 1 133 133 LEU CB C 133 43.071 43.071 41.144 1.927 19687 478 1 1 . 1 1 133 133 LEU H H 133 8.102 8.102 8.671 -0.569 19687 479 1 1 . 1 1 134 134 TRP N N 134 125.713 125.713 128.422 -2.709 19687 480 1 1 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.330 0.188 19687 481 1 1 . 1 1 134 134 TRP CA C 134 56.406 56.406 55.449 0.957 19687 482 1 1 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.327 0.002 19687 483 1 1 . 1 1 134 134 TRP H H 134 8.763 8.763 8.634 0.129 19687 484 1 1 . 1 1 135 135 LYS N N 135 118.492 118.492 128.823 -10.331 19687 485 1 1 . 1 1 135 135 LYS HA H 135 5.229 5.229 5.042 0.187 19687 486 1 1 . 1 1 135 135 LYS CA C 135 55.041 55.041 53.895 1.146 19687 487 1 1 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.141 1.875 19687 488 1 1 . 1 1 135 135 LYS H H 135 9.321 9.321 9.019 0.302 19687 489 1 1 . 1 1 136 136 LYS N N 136 121.232 121.232 127.202 -5.970 19687 490 1 1 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.451 0.240 19687 491 1 1 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.271 -1.126 19687 492 1 1 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.086 0.929 19687 493 1 1 . 1 1 136 136 LYS H H 136 8.509 8.509 7.880 0.629 19687 494 1 1 . 1 1 137 137 GLY N N 137 116.933 116.933 110.471 6.462 19687 495 1 1 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.440 0.030 19687 496 1 1 . 1 1 137 137 GLY H H 137 8.641 8.641 8.510 0.131 19687 497 1 1 . 1 1 138 138 LYS N N 138 124.712 124.712 117.002 7.710 19687 498 1 1 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.323 0.103 19687 499 1 1 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.081 1.093 19687 500 1 1 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.283 -0.196 19687 501 1 1 . 1 1 138 138 LYS H H 138 8.963 8.963 8.009 0.954 19687 502 1 1 . 1 1 139 139 GLU N N 139 120.229 120.229 119.520 0.709 19687 503 1 1 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.409 -0.236 19687 504 1 1 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.575 1.689 19687 505 1 1 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.437 -0.231 19687 506 1 1 . 1 1 139 139 GLU H H 139 8.011 8.011 7.491 0.520 19687 507 1 1 . 1 1 140 140 GLU N N 140 123.311 123.311 125.480 -2.169 19687 508 1 1 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.968 0.250 19687 509 1 1 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.394 0.292 19687 510 1 1 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.142 0.361 19687 511 1 1 . 1 1 140 140 GLU H H 140 8.811 8.811 8.524 0.287 19687 512 1 1 . 1 1 141 141 LEU N N 141 121.782 121.782 118.193 3.589 19687 513 1 1 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.639 -0.187 19687 514 1 1 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.964 1.252 19687 515 1 1 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.593 -0.382 19687 516 1 1 . 1 1 141 141 LEU H H 141 9.291 9.291 8.296 0.995 19687 517 1 1 . 1 1 142 142 GLY N N 142 125.924 125.924 106.475 19.449 19687 518 1 1 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.514 0.057 19687 519 1 1 . 1 1 142 142 GLY H H 142 7.060 7.060 8.394 -1.334 19687 520 1 1 . 1 1 143 143 ASN N N 143 117.181 117.181 118.912 -1.731 19687 521 1 1 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.864 1.038 19687 522 1 1 . 1 1 143 143 ASN CA C 143 52.908 52.908 53.950 -1.042 19687 523 1 1 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.842 1.491 19687 524 1 1 . 1 1 143 143 ASN H H 143 8.472 8.472 8.229 0.243 19687 525 1 1 . 1 1 144 144 MET N N 144 117.970 117.970 118.973 -1.003 19687 526 1 1 . 1 1 144 144 MET HA H 144 4.747 4.747 4.712 0.035 19687 527 1 1 . 1 1 144 144 MET CA C 144 56.085 56.085 54.213 1.872 19687 528 1 1 . 1 1 144 144 MET CB C 144 36.425 36.425 35.632 0.793 19687 529 1 1 . 1 1 144 144 MET H H 144 9.270 9.270 8.259 1.011 19687 530 1 1 . 1 1 145 145 ARG N N 145 125.032 125.032 119.458 5.574 19687 531 1 1 . 1 1 145 145 ARG HA H 145 4.275 4.275 4.189 0.086 19687 532 1 1 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.426 0.455 19687 533 1 1 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.515 0.792 19687 534 1 1 . 1 1 145 145 ARG H H 145 9.085 9.085 8.547 0.538 19687 535 1 1 . 1 1 146 146 GLN N N 146 112.668 112.668 115.476 -2.808 19687 536 1 1 . 1 1 146 146 GLN HA H 146 4.904 4.904 3.862 1.042 19687 537 1 1 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.188 0.167 19687 538 1 1 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.551 0.382 19687 539 1 1 . 1 1 146 146 GLN H H 146 7.599 7.599 7.474 0.125 19687 540 1 1 . 1 1 147 147 LEU N N 147 122.152 122.152 125.586 -3.434 19687 541 1 1 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.109 -0.086 19687 542 1 1 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.195 -1.974 19687 543 1 1 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.431 1.271 19687 544 1 1 . 1 1 147 147 LEU H H 147 8.130 8.130 8.134 -0.004 19687 545 1 1 . 1 1 148 148 ASP N N 148 124.520 124.520 126.789 -2.269 19687 546 1 1 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.461 -0.540 19687 547 1 1 . 1 1 148 148 ASP CA C 148 53.321 53.321 52.951 0.370 19687 548 1 1 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.067 0.389 19687 549 1 1 . 1 1 148 148 ASP H H 148 8.008 8.008 8.154 -0.146 19687 550 1 1 . 1 1 149 149 LEU N N 149 124.941 124.941 122.367 2.574 19687 551 1 1 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.553 -0.640 19687 552 1 1 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.021 1.167 19687 553 1 1 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.706 1.592 19687 554 1 1 . 1 1 149 149 LEU H H 149 8.790 8.790 8.014 0.776 19687 555 1 1 . 1 1 150 150 GLY N N 150 108.901 108.901 106.541 2.360 19687 556 1 1 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.691 -1.161 19687 557 1 1 . 1 1 150 150 GLY H H 150 8.744 8.744 7.032 1.712 19687 558 1 1 . 1 1 151 151 ALA N N 151 118.338 118.338 120.299 -1.961 19687 559 1 1 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.660 -0.426 19687 560 1 1 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.305 3.065 19687 561 1 1 . 1 1 151 151 ALA CB C 151 19.150 19.150 22.050 -2.900 19687 562 1 1 . 1 1 151 151 ALA H H 151 8.167 8.167 8.042 0.125 19687 563 1 1 . 1 1 152 152 ILE N N 152 121.825 121.825 121.045 0.780 19687 564 1 1 . 1 1 152 152 ILE HA H 152 2.910 2.910 4.015 -1.105 19687 565 1 1 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.695 0.870 19687 566 1 1 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.763 0.825 19687 567 1 1 . 1 1 152 152 ILE H H 152 8.269 8.269 8.111 0.158 19687 568 1 1 . 1 1 153 153 TYR N N 153 109.544 109.544 117.089 -7.545 19687 569 1 1 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.526 -0.407 19687 570 1 1 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.265 1.333 19687 571 1 1 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.543 -1.185 19687 572 1 1 . 1 1 153 153 TYR H H 153 6.757 6.757 7.725 -0.968 19687 573 1 1 . 1 1 154 154 ASP N N 154 117.255 117.255 121.626 -4.371 19687 574 1 1 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.601 0.103 19687 575 1 1 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.757 3.140 19687 576 1 1 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.708 1.025 19687 577 1 1 . 1 1 154 154 ASP H H 154 7.092 7.092 7.205 -0.113 19687 578 1 1 . 1 1 155 155 ASP N N 155 115.759 115.759 120.569 -4.810 19687 579 1 1 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.678 -0.445 19687 580 1 1 . 1 1 155 155 ASP CA C 155 55.500 55.500 54.023 1.477 19687 581 1 1 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.135 -0.668 19687 582 1 1 . 1 1 155 155 ASP H H 155 7.855 7.855 7.574 0.281 19687 583 1 1 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.302 -0.151 19687 584 1 1 . 1 1 156 156 PRO CA C 156 64.485 64.485 64.571 -0.086 19687 585 1 1 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.340 -0.648 19687 586 1 1 . 1 1 157 157 ARG N N 157 115.980 115.980 114.797 1.183 19687 587 1 1 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.029 1.112 19687 588 1 1 . 1 1 157 157 ARG CA C 157 54.793 54.793 56.664 -1.871 19687 589 1 1 . 1 1 157 157 ARG CB C 157 34.607 34.607 28.603 6.004 19687 590 1 1 . 1 1 157 157 ARG H H 157 7.888 7.888 7.859 0.029 19687 591 1 1 . 1 1 158 158 GLY N N 158 106.901 106.901 103.343 3.558 19687 592 1 1 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.269 1.343 19687 593 1 1 . 1 1 158 158 GLY H H 158 8.344 8.344 7.593 0.751 19687 594 1 1 . 1 1 159 159 THR N N 159 116.699 116.699 119.360 -2.661 19687 595 1 1 . 1 1 159 159 THR CA C 159 63.319 63.319 61.723 1.596 19687 596 1 1 . 1 1 159 159 THR CB C 159 69.870 69.870 68.964 0.906 19687 597 1 1 . 1 1 159 159 THR H H 159 8.228 8.228 8.133 0.095 19687 598 1 1 . 1 1 160 160 TYR N N 160 123.979 123.979 124.991 -1.012 19687 599 1 1 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.138 0.216 19687 600 1 1 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.033 2.596 19687 601 1 1 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.286 2.568 19687 602 1 1 . 1 1 160 160 TYR H H 160 8.782 8.782 7.893 0.889 19687 603 1 1 . 1 1 161 161 THR N N 161 115.752 115.752 115.717 0.035 19687 604 1 1 . 1 1 161 161 THR HA H 161 5.509 5.509 5.114 0.395 19687 605 1 1 . 1 1 161 161 THR CA C 161 61.354 61.354 61.741 -0.387 19687 606 1 1 . 1 1 161 161 THR CB C 161 73.921 73.921 70.733 3.188 19687 607 1 1 . 1 1 161 161 THR H H 161 9.096 9.096 9.066 0.030 19687 608 1 1 . 1 1 162 162 CYS N N 162 119.476 119.476 126.546 -7.070 19687 609 1 1 . 1 1 162 162 CYS HA H 162 4.533 4.533 5.578 -1.045 19687 610 1 1 . 1 1 162 162 CYS CA C 162 52.737 52.737 56.946 -4.209 19687 611 1 1 . 1 1 162 162 CYS CB C 162 43.843 43.843 30.048 13.795 19687 612 1 1 . 1 1 162 162 CYS H H 162 8.580 8.580 9.012 -0.432 19687 613 1 1 . 1 1 163 163 GLN N N 163 120.977 120.977 123.602 -2.625 19687 614 1 1 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.784 0.164 19687 615 1 1 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.397 -0.181 19687 616 1 1 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.713 0.529 19687 617 1 1 . 1 1 163 163 GLN H H 163 9.218 9.218 8.379 0.839 19687 618 1 1 . 1 1 164 164 ARG N N 164 123.963 123.963 122.797 1.166 19687 619 1 1 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.500 -0.282 19687 620 1 1 . 1 1 164 164 ARG CA C 164 57.103 57.103 56.175 0.928 19687 621 1 1 . 1 1 164 164 ARG CB C 164 32.737 32.737 29.452 3.285 19687 622 1 1 . 1 1 164 164 ARG H H 164 8.546 8.546 8.614 -0.068 19687 623 1 1 . 1 1 165 165 ASP N N 165 115.195 115.195 117.887 -2.692 19687 624 1 1 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.830 -0.161 19687 625 1 1 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.950 0.982 19687 626 1 1 . 1 1 165 165 ASP CB C 165 41.643 41.643 43.438 -1.795 19687 627 1 1 . 1 1 165 165 ASP H H 165 8.040 8.040 7.543 0.497 19687 628 1 1 . 1 1 166 166 GLU N N 166 113.922 113.922 119.165 -5.243 19687 629 1 1 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.132 -0.383 19687 630 1 1 . 1 1 166 166 GLU CA C 166 59.194 59.194 57.538 1.656 19687 631 1 1 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.838 -0.352 19687 632 1 1 . 1 1 166 166 GLU H H 166 8.745 8.745 8.674 0.071 19687 633 1 1 . 1 1 167 167 ASN N N 167 113.556 113.556 115.013 -1.457 19687 634 1 1 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.889 -0.289 19687 635 1 1 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.109 2.174 19687 636 1 1 . 1 1 167 167 ASN CB C 167 40.577 40.577 38.522 2.055 19687 637 1 1 . 1 1 167 167 ASN H H 167 8.540 8.540 7.879 0.661 19687 638 1 1 . 1 1 168 168 VAL N N 168 120.903 120.903 115.985 4.918 19687 639 1 1 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.767 0.175 19687 640 1 1 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.708 -0.536 19687 641 1 1 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.641 1.260 19687 642 1 1 . 1 1 168 168 VAL H H 168 7.818 7.818 7.477 0.341 19687 643 1 1 . 1 1 169 169 ASN N N 169 120.789 120.789 121.638 -0.849 19687 644 1 1 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.674 0.289 19687 645 1 1 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.408 -0.681 19687 646 1 1 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.410 1.831 19687 647 1 1 . 1 1 169 169 ASN H H 169 8.104 8.104 8.516 -0.412 19687 648 1 1 . 1 1 170 170 SER N N 170 111.999 111.999 117.490 -5.491 19687 649 1 1 . 1 1 170 170 SER HA H 170 4.505 4.505 4.497 0.008 19687 650 1 1 . 1 1 170 170 SER CA C 170 59.066 59.066 59.097 -0.031 19687 651 1 1 . 1 1 170 170 SER CB C 170 65.677 65.677 62.447 3.231 19687 652 1 1 . 1 1 170 170 SER H H 170 8.104 8.104 8.110 -0.006 19687 653 1 1 . 1 1 171 171 THR N N 171 121.052 121.052 123.558 -2.506 19687 654 1 1 . 1 1 171 171 THR HA H 171 5.430 5.430 4.478 0.952 19687 655 1 1 . 1 1 171 171 THR CA C 171 62.194 62.194 62.714 -0.520 19687 656 1 1 . 1 1 171 171 THR CB C 171 72.220 72.220 68.734 3.486 19687 657 1 1 . 1 1 171 171 THR H H 171 8.397 8.397 8.101 0.296 19687 658 1 1 . 1 1 172 172 LEU N N 172 130.063 130.063 129.883 0.180 19687 659 1 1 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.615 0.103 19687 660 1 1 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.349 1.483 19687 661 1 1 . 1 1 172 172 LEU CB C 172 48.599 48.599 42.633 5.966 19687 662 1 1 . 1 1 172 172 LEU H H 172 9.515 9.515 9.134 0.381 19687 663 1 1 . 1 1 173 173 HIS CB C 173 27.207 27.207 32.249 -5.042 19687 664 1 1 . 1 1 176 176 TYR N N 176 130.457 130.457 120.064 10.393 19687 665 1 1 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.210 -0.324 19687 666 1 1 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.419 2.209 19687 667 1 1 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.966 -0.765 19687 668 1 1 . 1 1 176 176 TYR H H 176 7.851 7.851 7.900 -0.049 19687 669 1 1 . 1 1 177 177 ARG N N 177 123.397 123.397 126.774 -3.377 19687 670 1 1 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.483 -0.272 19687 671 1 1 . 1 1 177 177 ARG CA C 177 55.855 55.855 56.256 -0.401 19687 672 1 1 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.107 -0.031 19687 673 1 1 . 1 1 177 177 ARG H H 177 8.591 8.591 8.807 -0.216 19687 674 1 2 . 1 1 5 5 GLY CA C 5 45.663 45.663 45.114 0.549 19687 675 1 2 . 1 1 6 6 GLN N N 6 117.952 117.952 119.957 -2.005 19687 676 1 2 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.113 0.086 19687 677 1 2 . 1 1 6 6 GLN CA C 6 55.767 55.767 54.844 0.923 19687 678 1 2 . 1 1 6 6 GLN CB C 6 30.183 30.183 30.858 -0.675 19687 679 1 2 . 1 1 6 6 GLN H H 6 8.143 8.143 8.430 -0.287 19687 680 1 2 . 1 1 7 7 GLU N N 7 120.150 120.150 119.902 0.248 19687 681 1 2 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.591 -0.501 19687 682 1 2 . 1 1 7 7 GLU CA C 7 57.080 57.080 55.318 1.762 19687 683 1 2 . 1 1 7 7 GLU CB C 7 30.461 30.461 29.551 0.910 19687 684 1 2 . 1 1 7 7 GLU H H 7 8.468 8.468 8.724 -0.256 19687 685 1 2 . 1 1 8 8 GLU N N 8 117.498 117.498 121.100 -3.602 19687 686 1 2 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.060 0.380 19687 687 1 2 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.881 -3.625 19687 688 1 2 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.890 3.915 19687 689 1 2 . 1 1 8 8 GLU H H 8 7.997 7.997 8.645 -0.648 19687 690 1 2 . 1 1 9 9 PHE N N 9 121.043 121.043 116.857 4.186 19687 691 1 2 . 1 1 9 9 PHE H H 9 8.459 8.459 7.725 0.734 19687 692 1 2 . 1 1 10 10 ALA N N 10 120.252 120.252 120.180 0.072 19687 693 1 2 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.000 0.602 19687 694 1 2 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.483 -1.333 19687 695 1 2 . 1 1 10 10 ALA CB C 10 21.300 21.300 18.230 3.070 19687 696 1 2 . 1 1 10 10 ALA H H 10 7.566 7.566 8.093 -0.527 19687 697 1 2 . 1 1 11 11 VAL N N 11 119.476 119.476 117.665 1.811 19687 698 1 2 . 1 1 11 11 VAL HA H 11 4.234 4.234 5.310 -1.076 19687 699 1 2 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.391 1.562 19687 700 1 2 . 1 1 11 11 VAL CB C 11 35.067 35.067 33.719 1.348 19687 701 1 2 . 1 1 11 11 VAL H H 11 8.440 8.440 8.174 0.266 19687 702 1 2 . 1 1 12 12 GLU N N 12 126.837 126.837 127.300 -0.463 19687 703 1 2 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.710 -0.162 19687 704 1 2 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.154 -0.141 19687 705 1 2 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.261 1.262 19687 706 1 2 . 1 1 12 12 GLU H H 12 8.787 8.787 8.910 -0.123 19687 707 1 2 . 1 1 13 13 ILE N N 13 124.712 124.712 126.320 -1.608 19687 708 1 2 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.207 0.301 19687 709 1 2 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.662 -1.062 19687 710 1 2 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.959 0.941 19687 711 1 2 . 1 1 13 13 ILE H H 13 8.753 8.753 8.700 0.053 19687 712 1 2 . 1 1 14 14 SER N N 14 121.782 121.782 121.313 0.469 19687 713 1 2 . 1 1 14 14 SER HA H 14 4.607 4.607 4.632 -0.025 19687 714 1 2 . 1 1 14 14 SER CA C 14 56.398 56.398 58.249 -1.851 19687 715 1 2 . 1 1 14 14 SER CB C 14 63.918 63.918 64.873 -0.955 19687 716 1 2 . 1 1 14 14 SER H H 14 8.475 8.475 8.666 -0.191 19687 717 1 2 . 1 1 15 15 GLY CA C 15 47.494 47.494 46.051 1.443 19687 718 1 2 . 1 1 16 16 THR N N 16 114.515 114.515 107.830 6.685 19687 719 1 2 . 1 1 16 16 THR HA H 16 4.197 4.197 3.837 0.360 19687 720 1 2 . 1 1 16 16 THR CA C 16 61.600 61.600 63.208 -1.608 19687 721 1 2 . 1 1 16 16 THR CB C 16 68.800 68.800 68.273 0.527 19687 722 1 2 . 1 1 16 16 THR H H 16 8.636 8.636 8.442 0.194 19687 723 1 2 . 1 1 17 17 THR N N 17 118.332 118.332 115.939 2.393 19687 724 1 2 . 1 1 17 17 THR HA H 17 5.004 5.004 5.297 -0.293 19687 725 1 2 . 1 1 17 17 THR CA C 17 62.095 62.095 62.023 0.072 19687 726 1 2 . 1 1 17 17 THR CB C 17 70.105 70.105 71.842 -1.737 19687 727 1 2 . 1 1 17 17 THR H H 17 8.353 8.353 7.132 1.221 19687 728 1 2 . 1 1 18 18 VAL N N 18 127.794 127.794 127.809 -0.015 19687 729 1 2 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.164 -0.584 19687 730 1 2 . 1 1 18 18 VAL CA C 18 61.299 61.299 58.868 2.430 19687 731 1 2 . 1 1 18 18 VAL CB C 18 34.365 34.365 34.757 -0.392 19687 732 1 2 . 1 1 18 18 VAL H H 18 8.843 8.843 8.570 0.273 19687 733 1 2 . 1 1 19 19 THR N N 19 121.651 121.651 120.173 1.478 19687 734 1 2 . 1 1 19 19 THR CA C 19 62.635 62.635 59.263 3.372 19687 735 1 2 . 1 1 19 19 THR CB C 19 69.854 69.854 70.972 -1.118 19687 736 1 2 . 1 1 19 19 THR H H 19 8.953 8.953 8.969 -0.016 19687 737 1 2 . 1 1 20 20 ILE N N 20 106.781 106.781 123.493 -16.712 19687 738 1 2 . 1 1 20 20 ILE HA H 20 4.063 4.063 5.353 -1.290 19687 739 1 2 . 1 1 20 20 ILE CA C 20 60.315 60.315 59.986 0.328 19687 740 1 2 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.597 -0.397 19687 741 1 2 . 1 1 20 20 ILE H H 20 9.426 9.426 8.546 0.880 19687 742 1 2 . 1 1 21 21 THR N N 21 121.256 121.256 121.331 -0.075 19687 743 1 2 . 1 1 21 21 THR HA H 21 5.160 5.160 5.018 0.142 19687 744 1 2 . 1 1 21 21 THR CA C 21 62.116 62.116 60.911 1.205 19687 745 1 2 . 1 1 21 21 THR CB C 21 70.105 70.105 70.596 -0.491 19687 746 1 2 . 1 1 21 21 THR H H 21 9.245 9.245 8.650 0.595 19687 747 1 2 . 1 1 22 22 CYS N N 22 123.311 123.311 125.808 -2.497 19687 748 1 2 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.379 -1.658 19687 749 1 2 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.369 -1.436 19687 750 1 2 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.672 13.421 19687 751 1 2 . 1 1 22 22 CYS H H 22 8.930 8.930 8.253 0.677 19687 752 1 2 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.255 -0.585 19687 753 1 2 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.207 1.259 19687 754 1 2 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.612 0.035 19687 755 1 2 . 1 1 24 24 SER N N 24 107.893 107.893 115.152 -7.259 19687 756 1 2 . 1 1 24 24 SER HA H 24 4.289 4.289 4.335 -0.046 19687 757 1 2 . 1 1 24 24 SER CA C 24 58.121 58.121 60.975 -2.854 19687 758 1 2 . 1 1 24 24 SER CB C 24 65.762 65.762 63.378 2.384 19687 759 1 2 . 1 1 24 24 SER H H 24 6.307 6.307 7.601 -1.294 19687 760 1 2 . 1 1 25 25 SER N N 25 113.836 113.836 112.356 1.480 19687 761 1 2 . 1 1 25 25 SER HA H 25 4.469 4.469 4.472 -0.003 19687 762 1 2 . 1 1 25 25 SER CA C 25 57.103 57.103 58.983 -1.880 19687 763 1 2 . 1 1 25 25 SER CB C 25 65.185 65.185 64.918 0.267 19687 764 1 2 . 1 1 25 25 SER H H 25 8.121 8.121 7.207 0.914 19687 765 1 2 . 1 1 26 26 GLY N N 26 107.245 107.245 108.828 -1.583 19687 766 1 2 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.075 0.201 19687 767 1 2 . 1 1 26 26 GLY H H 26 8.194 8.194 7.753 0.441 19687 768 1 2 . 1 1 27 27 ASP N N 27 116.002 116.002 121.606 -5.604 19687 769 1 2 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.599 -0.130 19687 770 1 2 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.743 0.480 19687 771 1 2 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.519 0.389 19687 772 1 2 . 1 1 27 27 ASP H H 27 8.186 8.186 8.462 -0.276 19687 773 1 2 . 1 1 28 28 ASP N N 28 117.805 117.805 119.458 -1.653 19687 774 1 2 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.704 -0.199 19687 775 1 2 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.183 0.631 19687 776 1 2 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.315 0.575 19687 777 1 2 . 1 1 28 28 ASP H H 28 8.319 8.319 8.203 0.116 19687 778 1 2 . 1 1 29 29 ILE N N 29 120.506 120.506 121.634 -1.128 19687 779 1 2 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.258 -0.068 19687 780 1 2 . 1 1 29 29 ILE CA C 29 61.156 61.156 61.469 -0.313 19687 781 1 2 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.874 -0.507 19687 782 1 2 . 1 1 29 29 ILE H H 29 7.913 7.913 7.646 0.267 19687 783 1 2 . 1 1 30 30 LYS N N 30 125.490 125.490 122.459 3.031 19687 784 1 2 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.636 0.130 19687 785 1 2 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.553 0.200 19687 786 1 2 . 1 1 30 30 LYS CB C 30 35.485 35.485 35.031 0.454 19687 787 1 2 . 1 1 30 30 LYS H H 30 8.177 8.177 7.809 0.368 19687 788 1 2 . 1 1 31 31 TRP N N 31 121.968 121.968 123.355 -1.387 19687 789 1 2 . 1 1 31 31 TRP HA H 31 5.298 5.298 5.364 -0.066 19687 790 1 2 . 1 1 31 31 TRP CA C 31 57.573 57.573 56.355 1.218 19687 791 1 2 . 1 1 31 31 TRP CB C 31 34.076 34.076 32.237 1.839 19687 792 1 2 . 1 1 31 31 TRP H H 31 8.752 8.752 8.643 0.109 19687 793 1 2 . 1 1 32 32 LYS N N 32 118.343 118.343 117.720 0.623 19687 794 1 2 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.603 -0.380 19687 795 1 2 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.546 -1.949 19687 796 1 2 . 1 1 32 32 LYS CB C 32 35.485 35.485 30.903 4.582 19687 797 1 2 . 1 1 32 32 LYS H H 32 8.876 8.876 8.492 0.384 19687 798 1 2 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.205 0.092 19687 799 1 2 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.578 -1.286 19687 800 1 2 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.742 3.750 19687 801 1 2 . 1 1 34 34 ASP N N 34 119.044 119.044 113.326 5.718 19687 802 1 2 . 1 1 34 34 ASP HA H 34 5.342 5.342 4.965 0.377 19687 803 1 2 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.865 -1.915 19687 804 1 2 . 1 1 34 34 ASP CB C 34 42.122 42.122 41.729 0.393 19687 805 1 2 . 1 1 34 34 ASP H H 34 8.039 8.039 8.108 -0.069 19687 806 1 2 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.480 -0.146 19687 807 1 2 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.519 0.618 19687 808 1 2 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.096 0.796 19687 809 1 2 . 1 1 36 36 ALA N N 36 117.764 117.764 119.511 -1.747 19687 810 1 2 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.086 0.041 19687 811 1 2 . 1 1 36 36 ALA CA C 36 54.475 54.475 54.038 0.438 19687 812 1 2 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.930 -0.015 19687 813 1 2 . 1 1 36 36 ALA H H 36 8.126 8.126 8.372 -0.246 19687 814 1 2 . 1 1 37 37 LEU N N 37 115.927 115.927 111.434 4.493 19687 815 1 2 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.445 -0.525 19687 816 1 2 . 1 1 37 37 LEU CA C 37 55.427 55.427 52.892 2.535 19687 817 1 2 . 1 1 37 37 LEU CB C 37 38.577 38.577 40.841 -2.264 19687 818 1 2 . 1 1 37 37 LEU H H 37 7.576 7.576 7.104 0.472 19687 819 1 2 . 1 1 38 38 GLY N N 38 127.283 127.283 107.769 19.514 19687 820 1 2 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.032 1.367 19687 821 1 2 . 1 1 38 38 GLY H H 38 7.341 7.341 7.441 -0.100 19687 822 1 2 . 1 1 39 39 ASP N N 39 122.925 122.925 123.011 -0.086 19687 823 1 2 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.696 -0.137 19687 824 1 2 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.230 0.503 19687 825 1 2 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.792 -1.704 19687 826 1 2 . 1 1 39 39 ASP H H 39 9.095 9.095 8.038 1.057 19687 827 1 2 . 1 1 40 40 ASN N N 40 122.444 122.444 118.914 3.530 19687 828 1 2 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.451 -0.126 19687 829 1 2 . 1 1 40 40 ASN CA C 40 56.339 56.339 56.631 -0.292 19687 830 1 2 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.432 0.005 19687 831 1 2 . 1 1 40 40 ASN H H 40 9.267 9.267 8.761 0.506 19687 832 1 2 . 1 1 41 41 ASN N N 41 119.328 119.328 117.831 1.497 19687 833 1 2 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.812 -0.378 19687 834 1 2 . 1 1 41 41 ASN CA C 41 55.053 55.053 52.772 2.281 19687 835 1 2 . 1 1 41 41 ASN CB C 41 37.768 37.768 38.921 -1.153 19687 836 1 2 . 1 1 41 41 ASN H H 41 8.661 8.661 8.607 0.054 19687 837 1 2 . 1 1 42 42 LYS N N 42 119.592 119.592 119.187 0.405 19687 838 1 2 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.272 0.314 19687 839 1 2 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.376 -0.392 19687 840 1 2 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.715 0.107 19687 841 1 2 . 1 1 42 42 LYS H H 42 8.195 8.195 7.632 0.563 19687 842 1 2 . 1 1 43 43 TYR N N 43 123.577 123.577 121.136 2.441 19687 843 1 2 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.426 -0.651 19687 844 1 2 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.290 1.083 19687 845 1 2 . 1 1 43 43 TYR CB C 43 40.262 40.262 39.949 0.313 19687 846 1 2 . 1 1 43 43 TYR H H 43 8.661 8.661 8.826 -0.165 19687 847 1 2 . 1 1 44 44 ILE N N 44 124.735 124.735 128.106 -3.371 19687 848 1 2 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.006 0.553 19687 849 1 2 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.814 1.399 19687 850 1 2 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.219 3.973 19687 851 1 2 . 1 1 44 44 ILE H H 44 7.239 7.239 8.174 -0.935 19687 852 1 2 . 1 1 45 45 ILE N N 45 126.245 126.245 129.235 -2.990 19687 853 1 2 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.110 -0.236 19687 854 1 2 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.899 -0.347 19687 855 1 2 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.230 1.290 19687 856 1 2 . 1 1 45 45 ILE H H 45 8.984 8.984 9.064 -0.080 19687 857 1 2 . 1 1 46 46 GLN N N 46 122.581 122.581 124.246 -1.665 19687 858 1 2 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.946 -0.747 19687 859 1 2 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.826 1.381 19687 860 1 2 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.663 -2.527 19687 861 1 2 . 1 1 46 46 GLN H H 46 8.356 8.356 8.431 -0.075 19687 862 1 2 . 1 1 47 47 ASN N N 47 116.902 116.902 117.179 -0.277 19687 863 1 2 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.388 -0.180 19687 864 1 2 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.338 -0.918 19687 865 1 2 . 1 1 47 47 ASN CB C 47 37.945 37.945 37.884 0.061 19687 866 1 2 . 1 1 47 47 ASN H H 47 9.115 9.115 8.905 0.210 19687 867 1 2 . 1 1 48 48 HIS N N 48 117.711 117.711 118.991 -1.280 19687 868 1 2 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.396 -0.044 19687 869 1 2 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.181 0.492 19687 870 1 2 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.911 1.137 19687 871 1 2 . 1 1 48 48 HIS H H 48 8.727 8.727 8.341 0.386 19687 872 1 2 . 1 1 49 49 ASP N N 49 124.049 124.049 120.659 3.390 19687 873 1 2 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.727 -0.528 19687 874 1 2 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.351 0.459 19687 875 1 2 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.614 -2.381 19687 876 1 2 . 1 1 49 49 ASP H H 49 7.339 7.339 7.573 -0.234 19687 877 1 2 . 1 1 50 50 SER N N 50 100.425 100.425 118.729 -18.304 19687 878 1 2 . 1 1 50 50 SER HA H 50 4.100 4.100 4.339 -0.239 19687 879 1 2 . 1 1 50 50 SER CA C 50 54.542 54.542 59.314 -4.772 19687 880 1 2 . 1 1 50 50 SER CB C 50 61.489 61.489 62.535 -1.046 19687 881 1 2 . 1 1 50 50 SER H H 50 5.420 5.420 8.523 -3.103 19687 882 1 2 . 1 1 51 51 SER N N 51 115.785 115.785 121.516 -5.731 19687 883 1 2 . 1 1 51 51 SER HA H 51 4.619 4.619 4.843 -0.224 19687 884 1 2 . 1 1 51 51 SER CA C 51 57.320 57.320 56.701 0.619 19687 885 1 2 . 1 1 51 51 SER CB C 51 63.171 63.171 63.453 -0.282 19687 886 1 2 . 1 1 51 51 SER H H 51 7.543 7.543 8.100 -0.557 19687 887 1 2 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.926 -0.483 19687 888 1 2 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.763 1.978 19687 889 1 2 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.828 -0.007 19687 890 1 2 . 1 1 53 53 LEU N N 53 120.506 120.506 112.254 8.252 19687 891 1 2 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.347 0.178 19687 892 1 2 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.889 -0.189 19687 893 1 2 . 1 1 53 53 LEU CB C 53 46.300 46.300 44.248 2.052 19687 894 1 2 . 1 1 53 53 LEU H H 53 8.243 8.243 7.481 0.762 19687 895 1 2 . 1 1 54 54 THR N N 54 116.375 116.375 118.777 -2.402 19687 896 1 2 . 1 1 54 54 THR HA H 54 5.307 5.307 4.250 1.057 19687 897 1 2 . 1 1 54 54 THR CA C 54 61.956 61.956 63.252 -1.296 19687 898 1 2 . 1 1 54 54 THR CB C 54 70.170 70.170 68.886 1.284 19687 899 1 2 . 1 1 54 54 THR H H 54 7.839 7.839 8.431 -0.592 19687 900 1 2 . 1 1 55 55 VAL N N 55 123.311 123.311 127.628 -4.317 19687 901 1 2 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.225 0.541 19687 902 1 2 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.554 -0.878 19687 903 1 2 . 1 1 55 55 VAL CB C 55 35.987 35.987 33.129 2.858 19687 904 1 2 . 1 1 55 55 VAL H H 55 8.941 8.941 8.081 0.860 19687 905 1 2 . 1 1 56 56 SER N N 56 115.664 115.664 123.524 -7.860 19687 906 1 2 . 1 1 56 56 SER HA H 56 5.811 5.811 5.366 0.445 19687 907 1 2 . 1 1 56 56 SER CA C 56 56.606 56.606 57.050 -0.444 19687 908 1 2 . 1 1 56 56 SER CB C 56 67.712 67.712 64.406 3.306 19687 909 1 2 . 1 1 56 56 SER H H 56 8.748 8.748 8.414 0.334 19687 910 1 2 . 1 1 57 57 CYS N N 57 113.093 113.093 122.660 -9.567 19687 911 1 2 . 1 1 57 57 CYS HA H 57 4.956 4.956 5.512 -0.556 19687 912 1 2 . 1 1 57 57 CYS CA C 57 53.136 53.136 55.287 -2.151 19687 913 1 2 . 1 1 57 57 CYS CB C 57 48.859 48.859 31.525 17.334 19687 914 1 2 . 1 1 57 57 CYS H H 57 8.766 8.766 9.327 -0.561 19687 915 1 2 . 1 1 58 58 THR N N 58 115.221 115.221 118.262 -3.041 19687 916 1 2 . 1 1 58 58 THR HA H 58 4.829 4.829 4.917 -0.088 19687 917 1 2 . 1 1 58 58 THR CA C 58 61.394 61.394 61.918 -0.524 19687 918 1 2 . 1 1 58 58 THR CB C 58 70.872 70.872 70.565 0.307 19687 919 1 2 . 1 1 58 58 THR H H 58 8.440 8.440 8.211 0.229 19687 920 1 2 . 1 1 59 59 ALA N N 59 128.540 128.540 128.884 -0.344 19687 921 1 2 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.661 -0.219 19687 922 1 2 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.269 0.392 19687 923 1 2 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.494 1.736 19687 924 1 2 . 1 1 59 59 ALA H H 59 8.489 8.489 7.977 0.512 19687 925 1 2 . 1 1 60 60 GLY N N 60 114.199 114.199 113.236 0.963 19687 926 1 2 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.044 0.625 19687 927 1 2 . 1 1 60 60 GLY H H 60 9.072 9.072 8.773 0.299 19687 928 1 2 . 1 1 61 61 ASP N N 61 122.847 122.847 125.453 -2.606 19687 929 1 2 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.847 -0.495 19687 930 1 2 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.775 0.830 19687 931 1 2 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.573 -0.295 19687 932 1 2 . 1 1 61 61 ASP H H 61 8.553 8.553 8.542 0.011 19687 933 1 2 . 1 1 62 62 GLN N N 62 117.800 117.800 119.029 -1.229 19687 934 1 2 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.511 -0.322 19687 935 1 2 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.962 0.395 19687 936 1 2 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.699 -1.423 19687 937 1 2 . 1 1 62 62 GLN H H 62 7.703 7.703 7.554 0.149 19687 938 1 2 . 1 1 63 63 GLU N N 63 123.165 123.165 121.408 1.757 19687 939 1 2 . 1 1 63 63 GLU HA H 63 4.640 4.640 4.982 -0.342 19687 940 1 2 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.564 -0.099 19687 941 1 2 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.807 0.796 19687 942 1 2 . 1 1 63 63 GLU H H 63 8.143 8.143 8.841 -0.698 19687 943 1 2 . 1 1 64 64 HIS N N 64 125.182 125.182 125.567 -0.385 19687 944 1 2 . 1 1 64 64 HIS HA H 64 4.764 4.764 5.185 -0.421 19687 945 1 2 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.740 -0.463 19687 946 1 2 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.685 -0.585 19687 947 1 2 . 1 1 64 64 HIS H H 64 8.925 8.925 8.787 0.138 19687 948 1 2 . 1 1 65 65 THR N N 65 120.044 120.044 114.830 5.214 19687 949 1 2 . 1 1 65 65 THR HA H 65 4.996 4.996 5.413 -0.417 19687 950 1 2 . 1 1 65 65 THR CA C 65 63.303 63.303 60.660 2.643 19687 951 1 2 . 1 1 65 65 THR CB C 65 71.145 71.145 72.030 -0.885 19687 952 1 2 . 1 1 65 65 THR H H 65 9.376 9.376 9.575 -0.199 19687 953 1 2 . 1 1 66 66 MET N N 66 126.414 126.414 121.353 5.061 19687 954 1 2 . 1 1 66 66 MET HA H 66 5.512 5.512 5.089 0.423 19687 955 1 2 . 1 1 66 66 MET CA C 66 52.610 52.610 55.590 -2.980 19687 956 1 2 . 1 1 66 66 MET CB C 66 36.065 36.065 37.198 -1.133 19687 957 1 2 . 1 1 66 66 MET H H 66 9.422 9.422 8.534 0.888 19687 958 1 2 . 1 1 67 67 TYR N N 67 124.879 124.879 124.704 0.175 19687 959 1 2 . 1 1 67 67 TYR HA H 67 4.807 4.807 4.850 -0.043 19687 960 1 2 . 1 1 67 67 TYR CA C 67 57.601 57.601 58.948 -1.347 19687 961 1 2 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.440 1.260 19687 962 1 2 . 1 1 67 67 TYR H H 67 9.023 9.023 8.457 0.566 19687 963 1 2 . 1 1 68 68 LEU N N 68 127.991 127.991 129.691 -1.700 19687 964 1 2 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.749 0.034 19687 965 1 2 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.859 -1.064 19687 966 1 2 . 1 1 68 68 LEU CB C 68 44.966 44.966 43.102 1.865 19687 967 1 2 . 1 1 68 68 LEU H H 68 8.714 8.714 8.742 -0.028 19687 968 1 2 . 1 1 69 69 ASN N N 69 125.992 125.992 123.336 2.656 19687 969 1 2 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.566 -1.108 19687 970 1 2 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.999 -0.692 19687 971 1 2 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.509 -2.613 19687 972 1 2 . 1 1 69 69 ASN H H 69 8.369 8.369 8.376 -0.007 19687 973 1 2 . 1 1 70 70 ALA N N 70 122.336 122.336 125.663 -3.327 19687 974 1 2 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.722 -0.010 19687 975 1 2 . 1 1 70 70 ALA CA C 70 50.121 50.121 52.027 -1.906 19687 976 1 2 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.353 -1.187 19687 977 1 2 . 1 1 70 70 ALA H H 70 8.581 8.581 8.211 0.370 19687 978 1 2 . 1 1 71 71 LYS N N 71 120.661 120.661 120.015 0.646 19687 979 1 2 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.584 -0.277 19687 980 1 2 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.141 -0.184 19687 981 1 2 . 1 1 71 71 LYS CB C 71 32.867 32.867 33.857 -0.990 19687 982 1 2 . 1 1 71 71 LYS H H 71 8.558 8.558 8.318 0.240 19687 983 1 2 . 1 1 72 72 VAL N N 72 114.526 114.526 118.335 -3.809 19687 984 1 2 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.486 -0.107 19687 985 1 2 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.020 -1.257 19687 986 1 2 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.634 1.591 19687 987 1 2 . 1 1 72 72 VAL H H 72 8.384 8.384 8.256 0.128 19687 988 1 2 . 1 1 73 73 GLY N N 73 107.198 107.198 116.025 -8.827 19687 989 1 2 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.579 -0.225 19687 990 1 2 . 1 1 73 73 GLY H H 73 8.036 8.036 8.740 -0.704 19687 991 1 2 . 1 1 74 74 SER N N 74 113.743 113.743 118.548 -4.805 19687 992 1 2 . 1 1 74 74 SER CA C 74 58.043 58.043 56.507 1.536 19687 993 1 2 . 1 1 74 74 SER CB C 74 64.622 64.622 62.425 2.197 19687 994 1 2 . 1 1 74 74 SER H H 74 8.292 8.292 8.320 -0.028 19687 995 1 2 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.521 -0.376 19687 996 1 2 . 1 1 75 75 ALA CA C 75 53.630 53.630 52.736 0.894 19687 997 1 2 . 1 1 75 75 ALA CB C 75 19.565 19.565 20.194 -0.629 19687 998 1 2 . 1 1 76 76 ASP N N 76 117.216 117.216 118.256 -1.040 19687 999 1 2 . 1 1 76 76 ASP HA H 76 4.400 4.400 5.030 -0.630 19687 1000 1 2 . 1 1 76 76 ASP CA C 76 55.110 55.110 53.202 1.908 19687 1001 1 2 . 1 1 76 76 ASP CB C 76 41.466 41.466 44.720 -3.254 19687 1002 1 2 . 1 1 76 76 ASP H H 76 8.189 8.189 8.109 0.080 19687 1003 1 2 . 1 1 77 77 ASP HA H 77 4.101 4.101 5.104 -1.003 19687 1004 1 2 . 1 1 77 77 ASP CA C 77 53.040 53.040 53.465 -0.425 19687 1005 1 2 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.104 -0.031 19687 1006 1 2 . 1 1 82 82 ALA CA C 82 53.462 53.462 51.948 1.514 19687 1007 1 2 . 1 1 82 82 ALA CB C 82 19.492 19.492 18.748 0.744 19687 1008 1 2 . 1 1 83 83 ALA N N 83 120.555 120.555 122.404 -1.849 19687 1009 1 2 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.554 0.368 19687 1010 1 2 . 1 1 83 83 ALA CA C 83 53.158 53.158 51.464 1.694 19687 1011 1 2 . 1 1 83 83 ALA H H 83 8.048 8.048 8.285 -0.237 19687 1012 1 2 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.825 -0.724 19687 1013 1 2 . 1 1 96 96 ASP CA C 96 56.270 56.270 53.926 2.344 19687 1014 1 2 . 1 1 96 96 ASP CB C 96 42.369 42.369 42.785 -0.416 19687 1015 1 2 . 1 1 97 97 GLY N N 97 106.760 106.760 108.704 -1.944 19687 1016 1 2 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.987 0.947 19687 1017 1 2 . 1 1 97 97 GLY H H 97 8.313 8.313 8.123 0.190 19687 1018 1 2 . 1 1 98 98 SER N N 98 114.252 114.252 117.837 -3.585 19687 1019 1 2 . 1 1 98 98 SER HA H 98 4.281 4.281 4.594 -0.313 19687 1020 1 2 . 1 1 98 98 SER CA C 98 59.061 59.061 57.844 1.217 19687 1021 1 2 . 1 1 98 98 SER CB C 98 64.152 64.152 63.592 0.560 19687 1022 1 2 . 1 1 98 98 SER H H 98 8.179 8.179 8.402 -0.223 19687 1023 1 2 . 1 1 99 99 VAL N N 99 119.765 119.765 124.171 -4.406 19687 1024 1 2 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.274 -0.281 19687 1025 1 2 . 1 1 99 99 VAL CA C 99 62.728 62.728 62.675 0.053 19687 1026 1 2 . 1 1 99 99 VAL CB C 99 32.891 32.891 33.131 -0.240 19687 1027 1 2 . 1 1 99 99 VAL H H 99 7.978 7.978 8.386 -0.408 19687 1028 1 2 . 1 1 100 100 ALA N N 100 126.348 126.348 122.018 4.330 19687 1029 1 2 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.508 -0.389 19687 1030 1 2 . 1 1 100 100 ALA CA C 100 52.933 52.933 51.892 1.041 19687 1031 1 2 . 1 1 100 100 ALA CB C 100 20.172 20.172 19.924 0.248 19687 1032 1 2 . 1 1 100 100 ALA H H 100 8.244 8.244 7.739 0.505 19687 1033 1 2 . 1 1 101 101 LYS N N 101 118.495 118.495 119.236 -0.741 19687 1034 1 2 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.101 0.126 19687 1035 1 2 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.688 -0.409 19687 1036 1 2 . 1 1 101 101 LYS CB C 101 33.917 33.917 31.899 2.018 19687 1037 1 2 . 1 1 101 101 LYS H H 101 8.105 8.105 8.535 -0.430 19687 1038 1 2 . 1 1 102 102 LEU N N 102 123.225 123.225 121.801 1.424 19687 1039 1 2 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.416 -0.176 19687 1040 1 2 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.617 0.583 19687 1041 1 2 . 1 1 102 102 LEU CB C 102 43.033 43.033 40.454 2.579 19687 1042 1 2 . 1 1 102 102 LEU H H 102 8.308 8.308 8.340 -0.032 19687 1043 1 2 . 1 1 103 103 GLY N N 103 108.552 108.552 110.465 -1.913 19687 1044 1 2 . 1 1 103 103 GLY CA C 103 45.287 45.287 44.852 0.435 19687 1045 1 2 . 1 1 103 103 GLY H H 103 8.286 8.286 7.696 0.590 19687 1046 1 2 . 1 1 104 104 VAL N N 104 118.898 118.898 119.640 -0.742 19687 1047 1 2 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.032 0.353 19687 1048 1 2 . 1 1 104 104 VAL CA C 104 62.978 62.978 63.902 -0.924 19687 1049 1 2 . 1 1 104 104 VAL CB C 104 32.901 32.901 31.742 1.159 19687 1050 1 2 . 1 1 104 104 VAL H H 104 7.845 7.845 8.000 -0.155 19687 1051 1 2 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.673 0.024 19687 1052 1 2 . 1 1 105 105 HIS CA C 105 55.848 55.848 55.991 -0.143 19687 1053 1 2 . 1 1 105 105 HIS CB C 105 32.961 32.961 28.366 4.595 19687 1054 1 2 . 1 1 106 106 GLY N N 106 108.707 108.707 114.372 -5.665 19687 1055 1 2 . 1 1 106 106 GLY CA C 106 45.687 45.687 44.690 0.997 19687 1056 1 2 . 1 1 106 106 GLY H H 106 8.318 8.318 7.663 0.655 19687 1057 1 2 . 1 1 107 107 LEU N N 107 121.670 121.670 123.940 -2.270 19687 1058 1 2 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.693 -0.291 19687 1059 1 2 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.451 1.046 19687 1060 1 2 . 1 1 107 107 LEU CB C 107 43.632 43.632 42.501 1.131 19687 1061 1 2 . 1 1 107 107 LEU H H 107 8.191 8.191 8.235 -0.044 19687 1062 1 2 . 1 1 108 108 SER N N 108 118.838 118.838 119.792 -0.954 19687 1063 1 2 . 1 1 108 108 SER HA H 108 4.704 4.704 4.862 -0.158 19687 1064 1 2 . 1 1 108 108 SER CA C 108 57.430 57.430 57.732 -0.302 19687 1065 1 2 . 1 1 108 108 SER CB C 108 65.954 65.954 65.608 0.346 19687 1066 1 2 . 1 1 108 108 SER H H 108 8.523 8.523 8.547 -0.024 19687 1067 1 2 . 1 1 109 109 MET N N 109 123.671 123.671 120.932 2.739 19687 1068 1 2 . 1 1 109 109 MET HA H 109 5.118 5.118 4.761 0.357 19687 1069 1 2 . 1 1 109 109 MET CA C 109 55.146 55.146 55.863 -0.717 19687 1070 1 2 . 1 1 109 109 MET CB C 109 35.799 35.799 35.147 0.652 19687 1071 1 2 . 1 1 109 109 MET H H 109 8.351 8.351 8.445 -0.094 19687 1072 1 2 . 1 1 110 110 SER N N 110 118.211 118.211 116.612 1.599 19687 1073 1 2 . 1 1 110 110 SER HA H 110 4.668 4.668 5.123 -0.455 19687 1074 1 2 . 1 1 110 110 SER CA C 110 57.103 57.103 57.371 -0.268 19687 1075 1 2 . 1 1 110 110 SER CB C 110 66.659 66.659 66.948 -0.290 19687 1076 1 2 . 1 1 110 110 SER H H 110 9.061 9.061 8.077 0.984 19687 1077 1 2 . 1 1 111 111 VAL N N 111 119.042 119.042 117.427 1.615 19687 1078 1 2 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.849 -0.559 19687 1079 1 2 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.480 1.686 19687 1080 1 2 . 1 1 111 111 VAL CB C 111 33.733 33.733 34.027 -0.294 19687 1081 1 2 . 1 1 111 111 VAL H H 111 7.923 7.923 8.243 -0.320 19687 1082 1 2 . 1 1 112 112 LYS N N 112 126.477 126.477 123.303 3.174 19687 1083 1 2 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.572 -0.066 19687 1084 1 2 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.491 0.341 19687 1085 1 2 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.822 0.133 19687 1086 1 2 . 1 1 112 112 LYS H H 112 9.181 9.181 8.907 0.274 19687 1087 1 2 . 1 1 113 113 GLU N N 113 121.962 121.962 122.806 -0.844 19687 1088 1 2 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.779 0.457 19687 1089 1 2 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.234 -0.439 19687 1090 1 2 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.794 -1.080 19687 1091 1 2 . 1 1 113 113 GLU H H 113 8.410 8.410 8.604 -0.194 19687 1092 1 2 . 1 1 114 114 VAL N N 114 122.453 122.453 123.302 -0.849 19687 1093 1 2 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.519 -0.359 19687 1094 1 2 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.195 2.451 19687 1095 1 2 . 1 1 114 114 VAL CB C 114 35.564 35.564 33.978 1.586 19687 1096 1 2 . 1 1 114 114 VAL H H 114 8.744 8.744 8.408 0.336 19687 1097 1 2 . 1 1 115 115 SER HA H 115 3.884 3.884 4.259 -0.375 19687 1098 1 2 . 1 1 115 115 SER CA C 115 58.726 58.726 60.030 -1.304 19687 1099 1 2 . 1 1 115 115 SER CB C 115 62.588 62.588 62.699 -0.111 19687 1100 1 2 . 1 1 116 116 GLY N N 116 126.353 126.353 112.520 13.833 19687 1101 1 2 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.927 -0.161 19687 1102 1 2 . 1 1 116 116 GLY H H 116 8.744 8.744 8.812 -0.068 19687 1103 1 2 . 1 1 117 117 LYS N N 117 120.735 120.735 119.579 1.156 19687 1104 1 2 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.714 -0.114 19687 1105 1 2 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.726 0.547 19687 1106 1 2 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.475 -0.142 19687 1107 1 2 . 1 1 117 117 LYS H H 117 7.934 7.934 8.233 -0.299 19687 1108 1 2 . 1 1 118 118 VAL N N 118 117.642 117.642 117.165 0.477 19687 1109 1 2 . 1 1 118 118 VAL HA H 118 4.157 4.157 4.692 -0.535 19687 1110 1 2 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.932 0.812 19687 1111 1 2 . 1 1 118 118 VAL CB C 118 33.627 33.627 32.626 1.001 19687 1112 1 2 . 1 1 118 118 VAL H H 118 7.619 7.619 8.081 -0.462 19687 1113 1 2 . 1 1 119 119 PHE N N 119 121.052 121.052 125.409 -4.357 19687 1114 1 2 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.391 -0.178 19687 1115 1 2 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.597 -0.129 19687 1116 1 2 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.392 1.595 19687 1117 1 2 . 1 1 119 119 PHE H H 119 8.860 8.860 8.738 0.122 19687 1118 1 2 . 1 1 120 120 LEU N N 120 117.758 117.758 119.657 -1.899 19687 1119 1 2 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.667 0.435 19687 1120 1 2 . 1 1 120 120 LEU CA C 120 52.993 52.993 53.686 -0.693 19687 1121 1 2 . 1 1 120 120 LEU CB C 120 44.439 44.439 44.771 -0.332 19687 1122 1 2 . 1 1 120 120 LEU H H 120 8.576 8.576 8.926 -0.350 19687 1123 1 2 . 1 1 121 121 GLN N N 121 116.064 116.064 117.903 -1.839 19687 1124 1 2 . 1 1 121 121 GLN HA H 121 4.289 4.289 5.105 -0.816 19687 1125 1 2 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.576 0.404 19687 1126 1 2 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.258 0.784 19687 1127 1 2 . 1 1 121 121 GLN H H 121 8.481 8.481 8.584 -0.103 19687 1128 1 2 . 1 1 122 122 CYS N N 122 120.052 120.052 117.302 2.750 19687 1129 1 2 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.711 0.529 19687 1130 1 2 . 1 1 122 122 CYS CA C 122 54.865 54.865 57.320 -2.455 19687 1131 1 2 . 1 1 122 122 CYS CB C 122 44.500 44.500 30.740 13.760 19687 1132 1 2 . 1 1 122 122 CYS H H 122 9.203 9.203 8.228 0.975 19687 1133 1 2 . 1 1 123 123 GLN N N 123 115.174 115.174 120.709 -5.535 19687 1134 1 2 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.439 -0.018 19687 1135 1 2 . 1 1 123 123 GLN CA C 123 55.682 55.682 54.902 0.780 19687 1136 1 2 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.965 2.648 19687 1137 1 2 . 1 1 123 123 GLN H H 123 8.106 8.106 8.352 -0.246 19687 1138 1 2 . 1 1 124 124 GLU N N 124 120.534 120.534 123.729 -3.195 19687 1139 1 2 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.513 -0.365 19687 1140 1 2 . 1 1 124 124 GLU CA C 124 55.960 55.960 55.949 0.011 19687 1141 1 2 . 1 1 124 124 GLU CB C 124 32.752 32.752 31.397 1.355 19687 1142 1 2 . 1 1 124 124 GLU H H 124 8.578 8.578 8.688 -0.110 19687 1143 1 2 . 1 1 132 132 TYR N N 132 122.981 122.981 120.124 2.857 19687 1144 1 2 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.771 -0.379 19687 1145 1 2 . 1 1 132 132 TYR CA C 132 55.015 55.015 56.701 -1.686 19687 1146 1 2 . 1 1 132 132 TYR H H 132 8.286 8.286 8.018 0.268 19687 1147 1 2 . 1 1 133 133 LEU N N 133 122.894 122.894 123.234 -0.340 19687 1148 1 2 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.575 0.033 19687 1149 1 2 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.169 0.986 19687 1150 1 2 . 1 1 133 133 LEU CB C 133 43.071 43.071 42.932 0.139 19687 1151 1 2 . 1 1 133 133 LEU H H 133 8.102 8.102 8.506 -0.404 19687 1152 1 2 . 1 1 134 134 TRP N N 134 125.713 125.713 123.634 2.079 19687 1153 1 2 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.103 0.415 19687 1154 1 2 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.423 -0.018 19687 1155 1 2 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.709 -0.380 19687 1156 1 2 . 1 1 134 134 TRP H H 134 8.763 8.763 7.985 0.778 19687 1157 1 2 . 1 1 135 135 LYS N N 135 118.492 118.492 128.500 -10.008 19687 1158 1 2 . 1 1 135 135 LYS HA H 135 5.229 5.229 5.008 0.221 19687 1159 1 2 . 1 1 135 135 LYS CA C 135 55.041 55.041 54.203 0.838 19687 1160 1 2 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.643 1.373 19687 1161 1 2 . 1 1 135 135 LYS H H 135 9.321 9.321 9.084 0.237 19687 1162 1 2 . 1 1 136 136 LYS N N 136 121.232 121.232 126.451 -5.219 19687 1163 1 2 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.216 0.475 19687 1164 1 2 . 1 1 136 136 LYS CA C 136 55.145 55.145 55.253 -0.108 19687 1165 1 2 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.261 0.754 19687 1166 1 2 . 1 1 136 136 LYS H H 136 8.509 8.509 7.816 0.693 19687 1167 1 2 . 1 1 137 137 GLY N N 137 116.933 116.933 110.841 6.092 19687 1168 1 2 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.039 0.430 19687 1169 1 2 . 1 1 137 137 GLY H H 137 8.641 8.641 8.347 0.294 19687 1170 1 2 . 1 1 138 138 LYS N N 138 124.712 124.712 118.379 6.333 19687 1171 1 2 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.352 0.074 19687 1172 1 2 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.028 1.146 19687 1173 1 2 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.398 -0.311 19687 1174 1 2 . 1 1 138 138 LYS H H 138 8.963 8.963 7.970 0.993 19687 1175 1 2 . 1 1 139 139 GLU N N 139 120.229 120.229 118.143 2.086 19687 1176 1 2 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.382 -0.209 19687 1177 1 2 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.528 1.736 19687 1178 1 2 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.353 -0.147 19687 1179 1 2 . 1 1 139 139 GLU H H 139 8.011 8.011 7.486 0.525 19687 1180 1 2 . 1 1 140 140 GLU N N 140 123.311 123.311 124.226 -0.915 19687 1181 1 2 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.974 0.244 19687 1182 1 2 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.435 0.251 19687 1183 1 2 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.165 0.339 19687 1184 1 2 . 1 1 140 140 GLU H H 140 8.811 8.811 8.562 0.249 19687 1185 1 2 . 1 1 141 141 LEU N N 141 121.782 121.782 117.759 4.023 19687 1186 1 2 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.887 -0.435 19687 1187 1 2 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.276 1.940 19687 1188 1 2 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.377 -0.167 19687 1189 1 2 . 1 1 141 141 LEU H H 141 9.291 9.291 7.892 1.399 19687 1190 1 2 . 1 1 142 142 GLY N N 142 125.924 125.924 106.173 19.751 19687 1191 1 2 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.893 -0.322 19687 1192 1 2 . 1 1 142 142 GLY H H 142 7.060 7.060 8.363 -1.303 19687 1193 1 2 . 1 1 143 143 ASN N N 143 117.181 117.181 120.131 -2.950 19687 1194 1 2 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.704 1.198 19687 1195 1 2 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.647 -1.739 19687 1196 1 2 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.840 1.494 19687 1197 1 2 . 1 1 143 143 ASN H H 143 8.472 8.472 8.443 0.029 19687 1198 1 2 . 1 1 144 144 MET N N 144 117.970 117.970 122.147 -4.177 19687 1199 1 2 . 1 1 144 144 MET HA H 144 4.747 4.747 4.862 -0.115 19687 1200 1 2 . 1 1 144 144 MET CA C 144 56.085 56.085 54.221 1.864 19687 1201 1 2 . 1 1 144 144 MET CB C 144 36.425 36.425 36.099 0.326 19687 1202 1 2 . 1 1 144 144 MET H H 144 9.270 9.270 8.295 0.975 19687 1203 1 2 . 1 1 145 145 ARG N N 145 125.032 125.032 120.381 4.651 19687 1204 1 2 . 1 1 145 145 ARG HA H 145 4.275 4.275 4.023 0.252 19687 1205 1 2 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.367 0.513 19687 1206 1 2 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.721 0.585 19687 1207 1 2 . 1 1 145 145 ARG H H 145 9.085 9.085 8.601 0.484 19687 1208 1 2 . 1 1 146 146 GLN N N 146 112.668 112.668 116.713 -4.045 19687 1209 1 2 . 1 1 146 146 GLN HA H 146 4.904 4.904 3.977 0.927 19687 1210 1 2 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.460 -0.105 19687 1211 1 2 . 1 1 146 146 GLN CB C 146 31.933 31.933 30.993 0.940 19687 1212 1 2 . 1 1 146 146 GLN H H 146 7.599 7.599 7.591 0.008 19687 1213 1 2 . 1 1 147 147 LEU N N 147 122.152 122.152 127.934 -5.782 19687 1214 1 2 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.197 -0.174 19687 1215 1 2 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.482 -2.261 19687 1216 1 2 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.388 1.314 19687 1217 1 2 . 1 1 147 147 LEU H H 147 8.130 8.130 8.226 -0.096 19687 1218 1 2 . 1 1 148 148 ASP N N 148 124.520 124.520 127.018 -2.498 19687 1219 1 2 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.562 -0.641 19687 1220 1 2 . 1 1 148 148 ASP CA C 148 53.321 53.321 53.201 0.120 19687 1221 1 2 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.473 -0.017 19687 1222 1 2 . 1 1 148 148 ASP H H 148 8.008 8.008 8.292 -0.284 19687 1223 1 2 . 1 1 149 149 LEU N N 149 124.941 124.941 122.312 2.629 19687 1224 1 2 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.546 -0.633 19687 1225 1 2 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.172 1.016 19687 1226 1 2 . 1 1 149 149 LEU CB C 149 42.298 42.298 41.264 1.034 19687 1227 1 2 . 1 1 149 149 LEU H H 149 8.790 8.790 8.104 0.686 19687 1228 1 2 . 1 1 150 150 GLY N N 150 108.901 108.901 106.146 2.755 19687 1229 1 2 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.269 -0.739 19687 1230 1 2 . 1 1 150 150 GLY H H 150 8.744 8.744 7.275 1.469 19687 1231 1 2 . 1 1 151 151 ALA N N 151 118.338 118.338 120.025 -1.687 19687 1232 1 2 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.602 -0.368 19687 1233 1 2 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.473 2.897 19687 1234 1 2 . 1 1 151 151 ALA CB C 151 19.150 19.150 21.852 -2.702 19687 1235 1 2 . 1 1 151 151 ALA H H 151 8.167 8.167 7.444 0.723 19687 1236 1 2 . 1 1 152 152 ILE N N 152 121.825 121.825 120.939 0.886 19687 1237 1 2 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.923 -1.013 19687 1238 1 2 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.522 1.043 19687 1239 1 2 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.739 0.849 19687 1240 1 2 . 1 1 152 152 ILE H H 152 8.269 8.269 8.100 0.169 19687 1241 1 2 . 1 1 153 153 TYR N N 153 109.544 109.544 117.565 -8.021 19687 1242 1 2 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.394 -0.275 19687 1243 1 2 . 1 1 153 153 TYR CA C 153 59.598 59.598 59.017 0.581 19687 1244 1 2 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.207 -0.849 19687 1245 1 2 . 1 1 153 153 TYR H H 153 6.757 6.757 7.947 -1.190 19687 1246 1 2 . 1 1 154 154 ASP N N 154 117.255 117.255 119.558 -2.303 19687 1247 1 2 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.578 0.126 19687 1248 1 2 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.689 3.208 19687 1249 1 2 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.980 0.753 19687 1250 1 2 . 1 1 154 154 ASP H H 154 7.092 7.092 7.232 -0.140 19687 1251 1 2 . 1 1 155 155 ASP N N 155 115.759 115.759 119.502 -3.743 19687 1252 1 2 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.503 -0.270 19687 1253 1 2 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.818 1.682 19687 1254 1 2 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.088 -0.621 19687 1255 1 2 . 1 1 155 155 ASP H H 155 7.855 7.855 7.576 0.279 19687 1256 1 2 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.193 -0.042 19687 1257 1 2 . 1 1 156 156 PRO CA C 156 64.485 64.485 64.506 -0.021 19687 1258 1 2 . 1 1 156 156 PRO CB C 156 31.692 31.692 31.874 -0.182 19687 1259 1 2 . 1 1 157 157 ARG N N 157 115.980 115.980 115.833 0.147 19687 1260 1 2 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.039 1.102 19687 1261 1 2 . 1 1 157 157 ARG CA C 157 54.793 54.793 57.037 -2.244 19687 1262 1 2 . 1 1 157 157 ARG CB C 157 34.607 34.607 27.108 7.499 19687 1263 1 2 . 1 1 157 157 ARG H H 157 7.888 7.888 8.018 -0.130 19687 1264 1 2 . 1 1 158 158 GLY N N 158 106.901 106.901 104.787 2.114 19687 1265 1 2 . 1 1 158 158 GLY CA C 158 45.611 45.611 43.215 2.396 19687 1266 1 2 . 1 1 158 158 GLY H H 158 8.344 8.344 7.736 0.608 19687 1267 1 2 . 1 1 159 159 THR N N 159 116.699 116.699 114.088 2.611 19687 1268 1 2 . 1 1 159 159 THR CA C 159 63.319 63.319 61.114 2.205 19687 1269 1 2 . 1 1 159 159 THR CB C 159 69.870 69.870 68.378 1.492 19687 1270 1 2 . 1 1 159 159 THR H H 159 8.228 8.228 8.037 0.191 19687 1271 1 2 . 1 1 160 160 TYR N N 160 123.979 123.979 126.359 -2.380 19687 1272 1 2 . 1 1 160 160 TYR HA H 160 5.354 5.354 4.692 0.662 19687 1273 1 2 . 1 1 160 160 TYR CA C 160 57.629 57.629 56.501 1.128 19687 1274 1 2 . 1 1 160 160 TYR CB C 160 43.854 43.854 42.293 1.561 19687 1275 1 2 . 1 1 160 160 TYR H H 160 8.782 8.782 8.794 -0.012 19687 1276 1 2 . 1 1 161 161 THR N N 161 115.752 115.752 115.289 0.463 19687 1277 1 2 . 1 1 161 161 THR HA H 161 5.509 5.509 5.086 0.423 19687 1278 1 2 . 1 1 161 161 THR CA C 161 61.354 61.354 61.896 -0.542 19687 1279 1 2 . 1 1 161 161 THR CB C 161 73.921 73.921 70.648 3.273 19687 1280 1 2 . 1 1 161 161 THR H H 161 9.096 9.096 8.828 0.268 19687 1281 1 2 . 1 1 162 162 CYS N N 162 119.476 119.476 125.336 -5.860 19687 1282 1 2 . 1 1 162 162 CYS HA H 162 4.533 4.533 4.915 -0.382 19687 1283 1 2 . 1 1 162 162 CYS CA C 162 52.737 52.737 58.794 -6.057 19687 1284 1 2 . 1 1 162 162 CYS CB C 162 43.843 43.843 29.755 14.088 19687 1285 1 2 . 1 1 162 162 CYS H H 162 8.580 8.580 9.132 -0.552 19687 1286 1 2 . 1 1 163 163 GLN N N 163 120.977 120.977 122.898 -1.921 19687 1287 1 2 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.492 0.456 19687 1288 1 2 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.325 -0.109 19687 1289 1 2 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.886 0.356 19687 1290 1 2 . 1 1 163 163 GLN H H 163 9.218 9.218 8.284 0.934 19687 1291 1 2 . 1 1 164 164 ARG N N 164 123.963 123.963 118.784 5.179 19687 1292 1 2 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.334 -0.116 19687 1293 1 2 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.505 -0.402 19687 1294 1 2 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.610 2.127 19687 1295 1 2 . 1 1 164 164 ARG H H 164 8.546 8.546 8.041 0.505 19687 1296 1 2 . 1 1 165 165 ASP N N 165 115.195 115.195 117.099 -1.904 19687 1297 1 2 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.721 -0.052 19687 1298 1 2 . 1 1 165 165 ASP CA C 165 53.932 53.932 51.888 2.045 19687 1299 1 2 . 1 1 165 165 ASP CB C 165 41.643 41.643 43.719 -2.076 19687 1300 1 2 . 1 1 165 165 ASP H H 165 8.040 8.040 7.460 0.580 19687 1301 1 2 . 1 1 166 166 GLU N N 166 113.922 113.922 118.900 -4.978 19687 1302 1 2 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.035 -0.286 19687 1303 1 2 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.233 -0.038 19687 1304 1 2 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.785 -0.299 19687 1305 1 2 . 1 1 166 166 GLU H H 166 8.745 8.745 8.731 0.014 19687 1306 1 2 . 1 1 167 167 ASN N N 167 113.556 113.556 119.220 -5.664 19687 1307 1 2 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.625 -0.025 19687 1308 1 2 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.844 1.438 19687 1309 1 2 . 1 1 167 167 ASN CB C 167 40.577 40.577 37.035 3.542 19687 1310 1 2 . 1 1 167 167 ASN H H 167 8.540 8.540 8.533 0.007 19687 1311 1 2 . 1 1 168 168 VAL N N 168 120.903 120.903 115.326 5.577 19687 1312 1 2 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.922 0.020 19687 1313 1 2 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.656 -0.485 19687 1314 1 2 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.468 1.433 19687 1315 1 2 . 1 1 168 168 VAL H H 168 7.818 7.818 7.559 0.259 19687 1316 1 2 . 1 1 169 169 ASN N N 169 120.789 120.789 121.421 -0.632 19687 1317 1 2 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.608 0.355 19687 1318 1 2 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.534 -0.807 19687 1319 1 2 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.263 1.977 19687 1320 1 2 . 1 1 169 169 ASN H H 169 8.104 8.104 8.330 -0.226 19687 1321 1 2 . 1 1 170 170 SER N N 170 111.999 111.999 117.071 -5.072 19687 1322 1 2 . 1 1 170 170 SER HA H 170 4.505 4.505 4.498 0.007 19687 1323 1 2 . 1 1 170 170 SER CA C 170 59.066 59.066 59.293 -0.227 19687 1324 1 2 . 1 1 170 170 SER CB C 170 65.677 65.677 62.859 2.818 19687 1325 1 2 . 1 1 170 170 SER H H 170 8.104 8.104 8.152 -0.048 19687 1326 1 2 . 1 1 171 171 THR N N 171 121.052 121.052 125.576 -4.524 19687 1327 1 2 . 1 1 171 171 THR HA H 171 5.430 5.430 4.686 0.744 19687 1328 1 2 . 1 1 171 171 THR CA C 171 62.194 62.194 62.889 -0.695 19687 1329 1 2 . 1 1 171 171 THR CB C 171 72.220 72.220 69.079 3.141 19687 1330 1 2 . 1 1 171 171 THR H H 171 8.397 8.397 8.377 0.020 19687 1331 1 2 . 1 1 172 172 LEU N N 172 130.063 130.063 128.652 1.411 19687 1332 1 2 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.751 -0.033 19687 1333 1 2 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.849 0.983 19687 1334 1 2 . 1 1 172 172 LEU CB C 172 48.599 48.599 43.170 5.429 19687 1335 1 2 . 1 1 172 172 LEU H H 172 9.515 9.515 8.745 0.770 19687 1336 1 2 . 1 1 173 173 HIS CB C 173 27.207 27.207 30.161 -2.954 19687 1337 1 2 . 1 1 176 176 TYR N N 176 130.457 130.457 120.384 10.073 19687 1338 1 2 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.246 -0.360 19687 1339 1 2 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.318 2.310 19687 1340 1 2 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.856 -0.655 19687 1341 1 2 . 1 1 176 176 TYR H H 176 7.851 7.851 7.917 -0.066 19687 1342 1 2 . 1 1 177 177 ARG N N 177 123.397 123.397 121.329 2.068 19687 1343 1 2 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.561 -0.350 19687 1344 1 2 . 1 1 177 177 ARG CA C 177 55.855 55.855 55.695 0.160 19687 1345 1 2 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.730 -0.654 19687 1346 1 2 . 1 1 177 177 ARG H H 177 8.591 8.591 8.836 -0.245 19687 1347 1 3 . 1 1 5 5 GLY CA C 5 45.663 45.663 44.752 0.911 19687 1348 1 3 . 1 1 6 6 GLN N N 6 117.952 117.952 118.407 -0.455 19687 1349 1 3 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.144 0.055 19687 1350 1 3 . 1 1 6 6 GLN CA C 6 55.767 55.767 56.226 -0.459 19687 1351 1 3 . 1 1 6 6 GLN CB C 6 30.183 30.183 28.971 1.212 19687 1352 1 3 . 1 1 6 6 GLN H H 6 8.143 8.143 8.561 -0.418 19687 1353 1 3 . 1 1 7 7 GLU N N 7 120.150 120.150 120.612 -0.462 19687 1354 1 3 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.414 -0.324 19687 1355 1 3 . 1 1 7 7 GLU CA C 7 57.080 57.080 56.178 0.902 19687 1356 1 3 . 1 1 7 7 GLU CB C 7 30.461 30.461 28.553 1.907 19687 1357 1 3 . 1 1 7 7 GLU H H 7 8.468 8.468 8.808 -0.340 19687 1358 1 3 . 1 1 8 8 GLU N N 8 117.498 117.498 119.302 -1.804 19687 1359 1 3 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.064 0.376 19687 1360 1 3 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.206 -2.950 19687 1361 1 3 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.719 4.086 19687 1362 1 3 . 1 1 8 8 GLU H H 8 7.997 7.997 8.417 -0.420 19687 1363 1 3 . 1 1 9 9 PHE N N 9 121.043 121.043 117.287 3.756 19687 1364 1 3 . 1 1 9 9 PHE H H 9 8.459 8.459 7.635 0.824 19687 1365 1 3 . 1 1 10 10 ALA N N 10 120.252 120.252 120.402 -0.150 19687 1366 1 3 . 1 1 10 10 ALA HA H 10 4.602 4.602 3.962 0.640 19687 1367 1 3 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.551 -1.401 19687 1368 1 3 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.147 4.153 19687 1369 1 3 . 1 1 10 10 ALA H H 10 7.566 7.566 8.080 -0.514 19687 1370 1 3 . 1 1 11 11 VAL N N 11 119.476 119.476 116.437 3.039 19687 1371 1 3 . 1 1 11 11 VAL HA H 11 4.234 4.234 4.900 -0.666 19687 1372 1 3 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.337 1.616 19687 1373 1 3 . 1 1 11 11 VAL CB C 11 35.067 35.067 32.796 2.271 19687 1374 1 3 . 1 1 11 11 VAL H H 11 8.440 8.440 7.980 0.460 19687 1375 1 3 . 1 1 12 12 GLU N N 12 126.837 126.837 127.458 -0.621 19687 1376 1 3 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.675 -0.127 19687 1377 1 3 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.123 -0.110 19687 1378 1 3 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.224 1.299 19687 1379 1 3 . 1 1 12 12 GLU H H 12 8.787 8.787 8.707 0.080 19687 1380 1 3 . 1 1 13 13 ILE N N 13 124.712 124.712 125.926 -1.214 19687 1381 1 3 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.132 0.376 19687 1382 1 3 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.639 -1.040 19687 1383 1 3 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.617 1.283 19687 1384 1 3 . 1 1 13 13 ILE H H 13 8.753 8.753 8.688 0.065 19687 1385 1 3 . 1 1 14 14 SER N N 14 121.782 121.782 122.744 -0.962 19687 1386 1 3 . 1 1 14 14 SER HA H 14 4.607 4.607 4.615 -0.008 19687 1387 1 3 . 1 1 14 14 SER CA C 14 56.398 56.398 56.257 0.141 19687 1388 1 3 . 1 1 14 14 SER CB C 14 63.918 63.918 62.728 1.190 19687 1389 1 3 . 1 1 14 14 SER H H 14 8.475 8.475 8.689 -0.214 19687 1390 1 3 . 1 1 15 15 GLY CA C 15 47.494 47.494 47.139 0.355 19687 1391 1 3 . 1 1 16 16 THR N N 16 114.515 114.515 117.772 -3.257 19687 1392 1 3 . 1 1 16 16 THR HA H 16 4.197 4.197 4.573 -0.376 19687 1393 1 3 . 1 1 16 16 THR CA C 16 61.600 61.600 61.365 0.235 19687 1394 1 3 . 1 1 16 16 THR CB C 16 68.800 68.800 69.558 -0.758 19687 1395 1 3 . 1 1 16 16 THR H H 16 8.636 8.636 7.970 0.666 19687 1396 1 3 . 1 1 17 17 THR N N 17 118.332 118.332 118.984 -0.652 19687 1397 1 3 . 1 1 17 17 THR HA H 17 5.004 5.004 5.160 -0.156 19687 1398 1 3 . 1 1 17 17 THR CA C 17 62.095 62.095 62.449 -0.354 19687 1399 1 3 . 1 1 17 17 THR CB C 17 70.105 70.105 71.799 -1.694 19687 1400 1 3 . 1 1 17 17 THR H H 17 8.353 8.353 7.472 0.881 19687 1401 1 3 . 1 1 18 18 VAL N N 18 127.794 127.794 129.162 -1.368 19687 1402 1 3 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.120 -0.540 19687 1403 1 3 . 1 1 18 18 VAL CA C 18 61.299 61.299 58.986 2.313 19687 1404 1 3 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.635 -1.270 19687 1405 1 3 . 1 1 18 18 VAL H H 18 8.843 8.843 8.596 0.247 19687 1406 1 3 . 1 1 19 19 THR N N 19 121.651 121.651 121.690 -0.039 19687 1407 1 3 . 1 1 19 19 THR CA C 19 62.635 62.635 59.610 3.025 19687 1408 1 3 . 1 1 19 19 THR CB C 19 69.854 69.854 70.860 -1.006 19687 1409 1 3 . 1 1 19 19 THR H H 19 8.953 8.953 9.110 -0.157 19687 1410 1 3 . 1 1 20 20 ILE N N 20 106.781 106.781 119.175 -12.394 19687 1411 1 3 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.881 -0.818 19687 1412 1 3 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.055 0.260 19687 1413 1 3 . 1 1 20 20 ILE CB C 20 41.200 41.200 42.671 -1.471 19687 1414 1 3 . 1 1 20 20 ILE H H 20 9.426 9.426 8.400 1.026 19687 1415 1 3 . 1 1 21 21 THR N N 21 121.256 121.256 118.033 3.223 19687 1416 1 3 . 1 1 21 21 THR HA H 21 5.160 5.160 5.183 -0.023 19687 1417 1 3 . 1 1 21 21 THR CA C 21 62.116 62.116 60.661 1.455 19687 1418 1 3 . 1 1 21 21 THR CB C 21 70.105 70.105 71.410 -1.305 19687 1419 1 3 . 1 1 21 21 THR H H 21 9.245 9.245 9.155 0.090 19687 1420 1 3 . 1 1 22 22 CYS N N 22 123.311 123.311 125.686 -2.375 19687 1421 1 3 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.358 -1.637 19687 1422 1 3 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.324 -1.391 19687 1423 1 3 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.032 14.061 19687 1424 1 3 . 1 1 22 22 CYS H H 22 8.930 8.930 8.326 0.604 19687 1425 1 3 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.142 -0.472 19687 1426 1 3 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.377 1.089 19687 1427 1 3 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.467 0.180 19687 1428 1 3 . 1 1 24 24 SER N N 24 107.893 107.893 116.097 -8.204 19687 1429 1 3 . 1 1 24 24 SER HA H 24 4.289 4.289 4.229 0.060 19687 1430 1 3 . 1 1 24 24 SER CA C 24 58.121 58.121 60.864 -2.743 19687 1431 1 3 . 1 1 24 24 SER CB C 24 65.762 65.762 62.386 3.376 19687 1432 1 3 . 1 1 24 24 SER H H 24 6.307 6.307 7.619 -1.312 19687 1433 1 3 . 1 1 25 25 SER N N 25 113.836 113.836 117.222 -3.386 19687 1434 1 3 . 1 1 25 25 SER HA H 25 4.469 4.469 4.471 -0.002 19687 1435 1 3 . 1 1 25 25 SER CA C 25 57.103 57.103 58.765 -1.662 19687 1436 1 3 . 1 1 25 25 SER CB C 25 65.185 65.185 65.308 -0.123 19687 1437 1 3 . 1 1 25 25 SER H H 25 8.121 8.121 8.113 0.008 19687 1438 1 3 . 1 1 26 26 GLY N N 26 107.245 107.245 109.698 -2.453 19687 1439 1 3 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.363 -0.087 19687 1440 1 3 . 1 1 26 26 GLY H H 26 8.194 8.194 8.406 -0.212 19687 1441 1 3 . 1 1 27 27 ASP N N 27 116.002 116.002 121.222 -5.220 19687 1442 1 3 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.569 -0.100 19687 1443 1 3 . 1 1 27 27 ASP CA C 27 55.223 55.223 55.091 0.132 19687 1444 1 3 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.241 0.667 19687 1445 1 3 . 1 1 27 27 ASP H H 27 8.186 8.186 8.452 -0.266 19687 1446 1 3 . 1 1 28 28 ASP N N 28 117.805 117.805 119.733 -1.928 19687 1447 1 3 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.745 -0.240 19687 1448 1 3 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.212 0.602 19687 1449 1 3 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.935 -0.045 19687 1450 1 3 . 1 1 28 28 ASP H H 28 8.319 8.319 8.042 0.277 19687 1451 1 3 . 1 1 29 29 ILE N N 29 120.506 120.506 122.628 -2.122 19687 1452 1 3 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.062 0.128 19687 1453 1 3 . 1 1 29 29 ILE CA C 29 61.156 61.156 60.972 0.184 19687 1454 1 3 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.510 -0.143 19687 1455 1 3 . 1 1 29 29 ILE H H 29 7.913 7.913 8.657 -0.744 19687 1456 1 3 . 1 1 30 30 LYS N N 30 125.490 125.490 125.411 0.079 19687 1457 1 3 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.627 0.139 19687 1458 1 3 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.627 0.126 19687 1459 1 3 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.297 2.188 19687 1460 1 3 . 1 1 30 30 LYS H H 30 8.177 8.177 7.864 0.313 19687 1461 1 3 . 1 1 31 31 TRP N N 31 121.968 121.968 125.810 -3.842 19687 1462 1 3 . 1 1 31 31 TRP HA H 31 5.298 5.298 5.210 0.088 19687 1463 1 3 . 1 1 31 31 TRP CA C 31 57.573 57.573 56.565 1.008 19687 1464 1 3 . 1 1 31 31 TRP CB C 31 34.076 34.076 31.341 2.735 19687 1465 1 3 . 1 1 31 31 TRP H H 31 8.752 8.752 8.793 -0.041 19687 1466 1 3 . 1 1 32 32 LYS N N 32 118.343 118.343 117.616 0.727 19687 1467 1 3 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.567 -0.344 19687 1468 1 3 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.642 -2.045 19687 1469 1 3 . 1 1 32 32 LYS CB C 32 35.485 35.485 31.036 4.449 19687 1470 1 3 . 1 1 32 32 LYS H H 32 8.876 8.876 8.412 0.464 19687 1471 1 3 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.212 0.085 19687 1472 1 3 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.157 -0.865 19687 1473 1 3 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.807 3.685 19687 1474 1 3 . 1 1 34 34 ASP N N 34 119.044 119.044 114.792 4.252 19687 1475 1 3 . 1 1 34 34 ASP HA H 34 5.342 5.342 4.998 0.344 19687 1476 1 3 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.282 -1.331 19687 1477 1 3 . 1 1 34 34 ASP CB C 34 42.122 42.122 41.134 0.988 19687 1478 1 3 . 1 1 34 34 ASP H H 34 8.039 8.039 8.332 -0.293 19687 1479 1 3 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.474 -0.140 19687 1480 1 3 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.489 0.648 19687 1481 1 3 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.060 0.832 19687 1482 1 3 . 1 1 36 36 ALA N N 36 117.764 117.764 119.906 -2.142 19687 1483 1 3 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.108 0.019 19687 1484 1 3 . 1 1 36 36 ALA CA C 36 54.475 54.475 53.746 0.729 19687 1485 1 3 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.909 0.006 19687 1486 1 3 . 1 1 36 36 ALA H H 36 8.126 8.126 7.971 0.155 19687 1487 1 3 . 1 1 37 37 LEU N N 37 115.927 115.927 111.387 4.540 19687 1488 1 3 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.486 -0.566 19687 1489 1 3 . 1 1 37 37 LEU CA C 37 55.427 55.427 52.778 2.649 19687 1490 1 3 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.218 -2.641 19687 1491 1 3 . 1 1 37 37 LEU H H 37 7.576 7.576 7.203 0.373 19687 1492 1 3 . 1 1 38 38 GLY N N 38 127.283 127.283 107.921 19.362 19687 1493 1 3 . 1 1 38 38 GLY CA C 38 45.399 45.399 43.987 1.412 19687 1494 1 3 . 1 1 38 38 GLY H H 38 7.341 7.341 7.529 -0.188 19687 1495 1 3 . 1 1 39 39 ASP N N 39 122.925 122.925 124.542 -1.617 19687 1496 1 3 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.713 -0.154 19687 1497 1 3 . 1 1 39 39 ASP CA C 39 53.733 53.733 52.982 0.751 19687 1498 1 3 . 1 1 39 39 ASP CB C 39 42.088 42.088 44.141 -2.053 19687 1499 1 3 . 1 1 39 39 ASP H H 39 9.095 9.095 8.156 0.939 19687 1500 1 3 . 1 1 40 40 ASN N N 40 122.444 122.444 120.871 1.573 19687 1501 1 3 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.430 -0.105 19687 1502 1 3 . 1 1 40 40 ASN CA C 40 56.339 56.339 56.301 0.038 19687 1503 1 3 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.189 0.248 19687 1504 1 3 . 1 1 40 40 ASN H H 40 9.267 9.267 9.019 0.248 19687 1505 1 3 . 1 1 41 41 ASN N N 41 119.328 119.328 112.263 7.065 19687 1506 1 3 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.870 -0.436 19687 1507 1 3 . 1 1 41 41 ASN CA C 41 55.053 55.053 52.559 2.494 19687 1508 1 3 . 1 1 41 41 ASN CB C 41 37.768 37.768 40.480 -2.712 19687 1509 1 3 . 1 1 41 41 ASN H H 41 8.661 8.661 8.363 0.298 19687 1510 1 3 . 1 1 42 42 LYS N N 42 119.592 119.592 121.640 -2.048 19687 1511 1 3 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.136 0.450 19687 1512 1 3 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.513 -0.529 19687 1513 1 3 . 1 1 42 42 LYS CB C 42 36.822 36.822 34.688 2.134 19687 1514 1 3 . 1 1 42 42 LYS H H 42 8.195 8.195 7.568 0.627 19687 1515 1 3 . 1 1 43 43 TYR N N 43 123.577 123.577 129.507 -5.930 19687 1516 1 3 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.139 -0.364 19687 1517 1 3 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.730 0.643 19687 1518 1 3 . 1 1 43 43 TYR CB C 43 40.262 40.262 37.940 2.322 19687 1519 1 3 . 1 1 43 43 TYR H H 43 8.661 8.661 8.511 0.150 19687 1520 1 3 . 1 1 44 44 ILE N N 44 124.735 124.735 127.553 -2.818 19687 1521 1 3 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.022 0.537 19687 1522 1 3 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.434 1.779 19687 1523 1 3 . 1 1 44 44 ILE CB C 44 40.192 40.192 38.309 1.883 19687 1524 1 3 . 1 1 44 44 ILE H H 44 7.239 7.239 7.653 -0.414 19687 1525 1 3 . 1 1 45 45 ILE N N 45 126.245 126.245 126.602 -0.357 19687 1526 1 3 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.322 -0.448 19687 1527 1 3 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.317 0.235 19687 1528 1 3 . 1 1 45 45 ILE CB C 45 39.520 39.520 39.573 -0.053 19687 1529 1 3 . 1 1 45 45 ILE H H 45 8.984 8.984 8.473 0.511 19687 1530 1 3 . 1 1 46 46 GLN N N 46 122.581 122.581 124.914 -2.333 19687 1531 1 3 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.649 -0.450 19687 1532 1 3 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.737 1.470 19687 1533 1 3 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.510 -2.374 19687 1534 1 3 . 1 1 46 46 GLN H H 46 8.356 8.356 8.512 -0.156 19687 1535 1 3 . 1 1 47 47 ASN N N 47 116.902 116.902 118.133 -1.231 19687 1536 1 3 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.282 -0.074 19687 1537 1 3 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.482 -1.062 19687 1538 1 3 . 1 1 47 47 ASN CB C 47 37.945 37.945 38.203 -0.258 19687 1539 1 3 . 1 1 47 47 ASN H H 47 9.115 9.115 8.808 0.307 19687 1540 1 3 . 1 1 48 48 HIS N N 48 117.711 117.711 118.209 -0.498 19687 1541 1 3 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.392 -0.040 19687 1542 1 3 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.667 0.006 19687 1543 1 3 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.756 1.292 19687 1544 1 3 . 1 1 48 48 HIS H H 48 8.727 8.727 8.016 0.711 19687 1545 1 3 . 1 1 49 49 ASP N N 49 124.049 124.049 121.999 2.050 19687 1546 1 3 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.696 -0.497 19687 1547 1 3 . 1 1 49 49 ASP CA C 49 53.810 53.810 52.804 1.006 19687 1548 1 3 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.925 -2.692 19687 1549 1 3 . 1 1 49 49 ASP H H 49 7.339 7.339 7.724 -0.385 19687 1550 1 3 . 1 1 50 50 SER N N 50 100.425 100.425 119.814 -19.389 19687 1551 1 3 . 1 1 50 50 SER HA H 50 4.100 4.100 4.316 -0.216 19687 1552 1 3 . 1 1 50 50 SER CA C 50 54.542 54.542 59.545 -5.003 19687 1553 1 3 . 1 1 50 50 SER CB C 50 61.489 61.489 62.079 -0.590 19687 1554 1 3 . 1 1 50 50 SER H H 50 5.420 5.420 8.546 -3.126 19687 1555 1 3 . 1 1 51 51 SER N N 51 115.785 115.785 121.364 -5.579 19687 1556 1 3 . 1 1 51 51 SER HA H 51 4.619 4.619 4.887 -0.268 19687 1557 1 3 . 1 1 51 51 SER CA C 51 57.320 57.320 56.672 0.648 19687 1558 1 3 . 1 1 51 51 SER CB C 51 63.171 63.171 63.478 -0.307 19687 1559 1 3 . 1 1 51 51 SER H H 51 7.543 7.543 8.046 -0.503 19687 1560 1 3 . 1 1 52 52 PRO HA H 52 4.443 4.443 5.043 -0.600 19687 1561 1 3 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.699 2.042 19687 1562 1 3 . 1 1 52 52 PRO CB C 52 32.821 32.821 33.076 -0.255 19687 1563 1 3 . 1 1 53 53 LEU N N 53 120.506 120.506 111.049 9.457 19687 1564 1 3 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.341 0.184 19687 1565 1 3 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.873 -0.173 19687 1566 1 3 . 1 1 53 53 LEU CB C 53 46.300 46.300 44.238 2.062 19687 1567 1 3 . 1 1 53 53 LEU H H 53 8.243 8.243 7.516 0.727 19687 1568 1 3 . 1 1 54 54 THR N N 54 116.375 116.375 117.415 -1.040 19687 1569 1 3 . 1 1 54 54 THR HA H 54 5.307 5.307 4.254 1.053 19687 1570 1 3 . 1 1 54 54 THR CA C 54 61.956 61.956 62.949 -0.993 19687 1571 1 3 . 1 1 54 54 THR CB C 54 70.170 70.170 69.044 1.126 19687 1572 1 3 . 1 1 54 54 THR H H 54 7.839 7.839 8.404 -0.565 19687 1573 1 3 . 1 1 55 55 VAL N N 55 123.311 123.311 127.720 -4.409 19687 1574 1 3 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.241 0.525 19687 1575 1 3 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.483 -0.807 19687 1576 1 3 . 1 1 55 55 VAL CB C 55 35.987 35.987 33.026 2.961 19687 1577 1 3 . 1 1 55 55 VAL H H 55 8.941 8.941 8.082 0.859 19687 1578 1 3 . 1 1 56 56 SER N N 56 115.664 115.664 123.933 -8.269 19687 1579 1 3 . 1 1 56 56 SER HA H 56 5.811 5.811 5.443 0.368 19687 1580 1 3 . 1 1 56 56 SER CA C 56 56.606 56.606 56.526 0.080 19687 1581 1 3 . 1 1 56 56 SER CB C 56 67.712 67.712 64.410 3.302 19687 1582 1 3 . 1 1 56 56 SER H H 56 8.748 8.748 8.516 0.232 19687 1583 1 3 . 1 1 57 57 CYS N N 57 113.093 113.093 122.628 -9.535 19687 1584 1 3 . 1 1 57 57 CYS HA H 57 4.956 4.956 5.501 -0.545 19687 1585 1 3 . 1 1 57 57 CYS CA C 57 53.136 53.136 55.204 -2.068 19687 1586 1 3 . 1 1 57 57 CYS CB C 57 48.859 48.859 31.332 17.527 19687 1587 1 3 . 1 1 57 57 CYS H H 57 8.766 8.766 9.340 -0.574 19687 1588 1 3 . 1 1 58 58 THR N N 58 115.221 115.221 118.064 -2.843 19687 1589 1 3 . 1 1 58 58 THR HA H 58 4.829 4.829 4.879 -0.050 19687 1590 1 3 . 1 1 58 58 THR CA C 58 61.394 61.394 62.050 -0.656 19687 1591 1 3 . 1 1 58 58 THR CB C 58 70.872 70.872 70.944 -0.072 19687 1592 1 3 . 1 1 58 58 THR H H 58 8.440 8.440 8.058 0.382 19687 1593 1 3 . 1 1 59 59 ALA N N 59 128.540 128.540 129.022 -0.482 19687 1594 1 3 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.630 -0.188 19687 1595 1 3 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.538 0.123 19687 1596 1 3 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.386 1.844 19687 1597 1 3 . 1 1 59 59 ALA H H 59 8.489 8.489 8.122 0.367 19687 1598 1 3 . 1 1 60 60 GLY N N 60 114.199 114.199 113.656 0.543 19687 1599 1 3 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.223 0.445 19687 1600 1 3 . 1 1 60 60 GLY H H 60 9.072 9.072 8.744 0.328 19687 1601 1 3 . 1 1 61 61 ASP N N 61 122.847 122.847 125.610 -2.763 19687 1602 1 3 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.823 -0.471 19687 1603 1 3 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.750 0.855 19687 1604 1 3 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.569 -0.291 19687 1605 1 3 . 1 1 61 61 ASP H H 61 8.553 8.553 8.463 0.090 19687 1606 1 3 . 1 1 62 62 GLN N N 62 117.800 117.800 118.451 -0.651 19687 1607 1 3 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.544 -0.354 19687 1608 1 3 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.779 0.578 19687 1609 1 3 . 1 1 62 62 GLN CB C 62 31.276 31.276 33.035 -1.759 19687 1610 1 3 . 1 1 62 62 GLN H H 62 7.703 7.703 7.507 0.196 19687 1611 1 3 . 1 1 63 63 GLU N N 63 123.165 123.165 120.787 2.378 19687 1612 1 3 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.083 -0.443 19687 1613 1 3 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.478 -0.013 19687 1614 1 3 . 1 1 63 63 GLU CB C 63 32.603 32.603 32.614 -0.011 19687 1615 1 3 . 1 1 63 63 GLU H H 63 8.143 8.143 8.528 -0.385 19687 1616 1 3 . 1 1 64 64 HIS N N 64 125.182 125.182 125.080 0.102 19687 1617 1 3 . 1 1 64 64 HIS HA H 64 4.764 4.764 4.940 -0.176 19687 1618 1 3 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.625 -0.348 19687 1619 1 3 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.712 -0.612 19687 1620 1 3 . 1 1 64 64 HIS H H 64 8.925 8.925 9.330 -0.405 19687 1621 1 3 . 1 1 65 65 THR N N 65 120.044 120.044 114.945 5.099 19687 1622 1 3 . 1 1 65 65 THR HA H 65 4.996 4.996 5.787 -0.791 19687 1623 1 3 . 1 1 65 65 THR CA C 65 63.303 63.303 60.565 2.738 19687 1624 1 3 . 1 1 65 65 THR CB C 65 71.145 71.145 72.097 -0.952 19687 1625 1 3 . 1 1 65 65 THR H H 65 9.376 9.376 9.514 -0.138 19687 1626 1 3 . 1 1 66 66 MET N N 66 126.414 126.414 121.977 4.437 19687 1627 1 3 . 1 1 66 66 MET HA H 66 5.512 5.512 5.074 0.438 19687 1628 1 3 . 1 1 66 66 MET CA C 66 52.610 52.610 55.602 -2.992 19687 1629 1 3 . 1 1 66 66 MET CB C 66 36.065 36.065 36.998 -0.933 19687 1630 1 3 . 1 1 66 66 MET H H 66 9.422 9.422 8.826 0.596 19687 1631 1 3 . 1 1 67 67 TYR N N 67 124.879 124.879 125.992 -1.113 19687 1632 1 3 . 1 1 67 67 TYR HA H 67 4.807 4.807 4.780 0.027 19687 1633 1 3 . 1 1 67 67 TYR CA C 67 57.601 57.601 59.167 -1.566 19687 1634 1 3 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.092 1.608 19687 1635 1 3 . 1 1 67 67 TYR H H 67 9.023 9.023 8.335 0.688 19687 1636 1 3 . 1 1 68 68 LEU N N 68 127.991 127.991 129.890 -1.899 19687 1637 1 3 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.641 0.142 19687 1638 1 3 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.672 -0.877 19687 1639 1 3 . 1 1 68 68 LEU CB C 68 44.966 44.966 41.734 3.232 19687 1640 1 3 . 1 1 68 68 LEU H H 68 8.714 8.714 8.791 -0.077 19687 1641 1 3 . 1 1 69 69 ASN N N 69 125.992 125.992 123.340 2.652 19687 1642 1 3 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.613 -1.155 19687 1643 1 3 . 1 1 69 69 ASN CA C 69 51.307 51.307 52.167 -0.860 19687 1644 1 3 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.674 -2.778 19687 1645 1 3 . 1 1 69 69 ASN H H 69 8.369 8.369 8.240 0.129 19687 1646 1 3 . 1 1 70 70 ALA N N 70 122.336 122.336 125.269 -2.933 19687 1647 1 3 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.816 -0.104 19687 1648 1 3 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.993 -1.872 19687 1649 1 3 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.159 -0.993 19687 1650 1 3 . 1 1 70 70 ALA H H 70 8.581 8.581 8.293 0.288 19687 1651 1 3 . 1 1 71 71 LYS N N 71 120.661 120.661 119.671 0.990 19687 1652 1 3 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.675 -0.368 19687 1653 1 3 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.108 -0.152 19687 1654 1 3 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.262 -1.395 19687 1655 1 3 . 1 1 71 71 LYS H H 71 8.558 8.558 8.374 0.184 19687 1656 1 3 . 1 1 72 72 VAL N N 72 114.526 114.526 118.886 -4.360 19687 1657 1 3 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.295 0.084 19687 1658 1 3 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.188 -1.425 19687 1659 1 3 . 1 1 72 72 VAL CB C 72 34.225 34.225 33.244 0.981 19687 1660 1 3 . 1 1 72 72 VAL H H 72 8.384 8.384 8.301 0.083 19687 1661 1 3 . 1 1 73 73 GLY N N 73 107.198 107.198 113.285 -6.087 19687 1662 1 3 . 1 1 73 73 GLY CA C 73 45.354 45.354 44.813 0.541 19687 1663 1 3 . 1 1 73 73 GLY H H 73 8.036 8.036 8.418 -0.382 19687 1664 1 3 . 1 1 74 74 SER N N 74 113.743 113.743 117.343 -3.600 19687 1665 1 3 . 1 1 74 74 SER CA C 74 58.043 58.043 59.528 -1.485 19687 1666 1 3 . 1 1 74 74 SER CB C 74 64.622 64.622 62.949 1.673 19687 1667 1 3 . 1 1 74 74 SER H H 74 8.292 8.292 8.464 -0.172 19687 1668 1 3 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.323 -0.178 19687 1669 1 3 . 1 1 75 75 ALA CA C 75 53.630 53.630 53.192 0.438 19687 1670 1 3 . 1 1 75 75 ALA CB C 75 19.565 19.565 18.916 0.649 19687 1671 1 3 . 1 1 76 76 ASP N N 76 117.216 117.216 121.061 -3.845 19687 1672 1 3 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.543 -0.143 19687 1673 1 3 . 1 1 76 76 ASP CA C 76 55.110 55.110 55.378 -0.268 19687 1674 1 3 . 1 1 76 76 ASP CB C 76 41.466 41.466 41.223 0.243 19687 1675 1 3 . 1 1 76 76 ASP H H 76 8.189 8.189 8.733 -0.544 19687 1676 1 3 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.592 -0.491 19687 1677 1 3 . 1 1 77 77 ASP CA C 77 53.040 53.040 54.414 -1.374 19687 1678 1 3 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.494 -0.421 19687 1679 1 3 . 1 1 82 82 ALA CA C 82 53.462 53.462 51.542 1.920 19687 1680 1 3 . 1 1 82 82 ALA CB C 82 19.492 19.492 19.590 -0.098 19687 1681 1 3 . 1 1 83 83 ALA N N 83 120.555 120.555 121.294 -0.739 19687 1682 1 3 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.199 0.723 19687 1683 1 3 . 1 1 83 83 ALA CA C 83 53.158 53.158 54.346 -1.188 19687 1684 1 3 . 1 1 83 83 ALA H H 83 8.048 8.048 8.580 -0.532 19687 1685 1 3 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.452 -0.351 19687 1686 1 3 . 1 1 96 96 ASP CA C 96 56.270 56.270 54.760 1.510 19687 1687 1 3 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.364 1.005 19687 1688 1 3 . 1 1 97 97 GLY N N 97 106.760 106.760 111.602 -4.842 19687 1689 1 3 . 1 1 97 97 GLY CA C 97 45.934 45.934 45.229 0.705 19687 1690 1 3 . 1 1 97 97 GLY H H 97 8.313 8.313 8.596 -0.283 19687 1691 1 3 . 1 1 98 98 SER N N 98 114.252 114.252 115.303 -1.051 19687 1692 1 3 . 1 1 98 98 SER HA H 98 4.281 4.281 4.503 -0.222 19687 1693 1 3 . 1 1 98 98 SER CA C 98 59.061 59.061 58.536 0.525 19687 1694 1 3 . 1 1 98 98 SER CB C 98 64.152 64.152 65.009 -0.857 19687 1695 1 3 . 1 1 98 98 SER H H 98 8.179 8.179 7.836 0.343 19687 1696 1 3 . 1 1 99 99 VAL N N 99 119.765 119.765 120.589 -0.824 19687 1697 1 3 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.370 -0.378 19687 1698 1 3 . 1 1 99 99 VAL CA C 99 62.728 62.728 62.334 0.394 19687 1699 1 3 . 1 1 99 99 VAL CB C 99 32.891 32.891 32.601 0.290 19687 1700 1 3 . 1 1 99 99 VAL H H 99 7.978 7.978 8.077 -0.099 19687 1701 1 3 . 1 1 100 100 ALA N N 100 126.348 126.348 123.486 2.862 19687 1702 1 3 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.640 -0.521 19687 1703 1 3 . 1 1 100 100 ALA CA C 100 52.933 52.933 51.998 0.935 19687 1704 1 3 . 1 1 100 100 ALA CB C 100 20.172 20.172 19.557 0.615 19687 1705 1 3 . 1 1 100 100 ALA H H 100 8.244 8.244 7.943 0.301 19687 1706 1 3 . 1 1 101 101 LYS N N 101 118.495 118.495 121.101 -2.606 19687 1707 1 3 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.617 -0.390 19687 1708 1 3 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.063 0.216 19687 1709 1 3 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.623 1.294 19687 1710 1 3 . 1 1 101 101 LYS H H 101 8.105 8.105 8.320 -0.215 19687 1711 1 3 . 1 1 102 102 LEU N N 102 123.225 123.225 120.337 2.888 19687 1712 1 3 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.421 -0.181 19687 1713 1 3 . 1 1 102 102 LEU CA C 102 55.200 55.200 55.325 -0.125 19687 1714 1 3 . 1 1 102 102 LEU CB C 102 43.033 43.033 42.494 0.539 19687 1715 1 3 . 1 1 102 102 LEU H H 102 8.308 8.308 7.856 0.452 19687 1716 1 3 . 1 1 103 103 GLY N N 103 108.552 108.552 111.446 -2.894 19687 1717 1 3 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.167 0.120 19687 1718 1 3 . 1 1 103 103 GLY H H 103 8.286 8.286 8.274 0.012 19687 1719 1 3 . 1 1 104 104 VAL N N 104 118.898 118.898 119.606 -0.708 19687 1720 1 3 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.360 0.026 19687 1721 1 3 . 1 1 104 104 VAL CA C 104 62.978 62.978 63.222 -0.244 19687 1722 1 3 . 1 1 104 104 VAL CB C 104 32.901 32.901 32.968 -0.067 19687 1723 1 3 . 1 1 104 104 VAL H H 104 7.845 7.845 8.179 -0.334 19687 1724 1 3 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.750 -0.053 19687 1725 1 3 . 1 1 105 105 HIS CA C 105 55.848 55.848 55.848 0.000 19687 1726 1 3 . 1 1 105 105 HIS CB C 105 32.961 32.961 30.877 2.084 19687 1727 1 3 . 1 1 106 106 GLY N N 106 108.707 108.707 106.496 2.211 19687 1728 1 3 . 1 1 106 106 GLY CA C 106 45.687 45.687 44.861 0.826 19687 1729 1 3 . 1 1 106 106 GLY H H 106 8.318 8.318 8.051 0.267 19687 1730 1 3 . 1 1 107 107 LEU N N 107 121.670 121.670 115.171 6.499 19687 1731 1 3 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.820 -0.418 19687 1732 1 3 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.390 1.107 19687 1733 1 3 . 1 1 107 107 LEU CB C 107 43.632 43.632 45.041 -1.409 19687 1734 1 3 . 1 1 107 107 LEU H H 107 8.191 8.191 8.121 0.070 19687 1735 1 3 . 1 1 108 108 SER N N 108 118.838 118.838 116.091 2.747 19687 1736 1 3 . 1 1 108 108 SER HA H 108 4.704 4.704 4.728 -0.024 19687 1737 1 3 . 1 1 108 108 SER CA C 108 57.430 57.430 58.155 -0.725 19687 1738 1 3 . 1 1 108 108 SER CB C 108 65.954 65.954 65.198 0.756 19687 1739 1 3 . 1 1 108 108 SER H H 108 8.523 8.523 8.405 0.118 19687 1740 1 3 . 1 1 109 109 MET N N 109 123.671 123.671 123.249 0.422 19687 1741 1 3 . 1 1 109 109 MET HA H 109 5.118 5.118 4.762 0.356 19687 1742 1 3 . 1 1 109 109 MET CA C 109 55.146 55.146 56.191 -1.045 19687 1743 1 3 . 1 1 109 109 MET CB C 109 35.799 35.799 34.205 1.594 19687 1744 1 3 . 1 1 109 109 MET H H 109 8.351 8.351 8.433 -0.082 19687 1745 1 3 . 1 1 110 110 SER N N 110 118.211 118.211 118.623 -0.412 19687 1746 1 3 . 1 1 110 110 SER HA H 110 4.668 4.668 5.169 -0.501 19687 1747 1 3 . 1 1 110 110 SER CA C 110 57.103 57.103 56.983 0.121 19687 1748 1 3 . 1 1 110 110 SER CB C 110 66.659 66.659 67.091 -0.432 19687 1749 1 3 . 1 1 110 110 SER H H 110 9.061 9.061 8.287 0.774 19687 1750 1 3 . 1 1 111 111 VAL N N 111 119.042 119.042 118.330 0.712 19687 1751 1 3 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.557 -0.267 19687 1752 1 3 . 1 1 111 111 VAL CA C 111 61.166 61.166 60.624 0.542 19687 1753 1 3 . 1 1 111 111 VAL CB C 111 33.733 33.733 32.806 0.927 19687 1754 1 3 . 1 1 111 111 VAL H H 111 7.923 7.923 8.659 -0.736 19687 1755 1 3 . 1 1 112 112 LYS N N 112 126.477 126.477 124.982 1.495 19687 1756 1 3 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.532 -0.026 19687 1757 1 3 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.800 0.032 19687 1758 1 3 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.839 0.116 19687 1759 1 3 . 1 1 112 112 LYS H H 112 9.181 9.181 8.885 0.296 19687 1760 1 3 . 1 1 113 113 GLU N N 113 121.962 121.962 123.515 -1.553 19687 1761 1 3 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.991 0.245 19687 1762 1 3 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.482 -0.687 19687 1763 1 3 . 1 1 113 113 GLU CB C 113 30.714 30.714 30.825 -0.111 19687 1764 1 3 . 1 1 113 113 GLU H H 113 8.410 8.410 8.670 -0.260 19687 1765 1 3 . 1 1 114 114 VAL N N 114 122.453 122.453 123.756 -1.303 19687 1766 1 3 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.551 -0.391 19687 1767 1 3 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.785 1.861 19687 1768 1 3 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.287 1.277 19687 1769 1 3 . 1 1 114 114 VAL H H 114 8.744 8.744 8.266 0.478 19687 1770 1 3 . 1 1 115 115 SER HA H 115 3.884 3.884 4.177 -0.293 19687 1771 1 3 . 1 1 115 115 SER CA C 115 58.726 58.726 59.913 -1.187 19687 1772 1 3 . 1 1 115 115 SER CB C 115 62.588 62.588 62.662 -0.074 19687 1773 1 3 . 1 1 116 116 GLY N N 116 126.353 126.353 112.567 13.786 19687 1774 1 3 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.976 -0.210 19687 1775 1 3 . 1 1 116 116 GLY H H 116 8.744 8.744 8.166 0.578 19687 1776 1 3 . 1 1 117 117 LYS N N 117 120.735 120.735 118.875 1.860 19687 1777 1 3 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.676 -0.076 19687 1778 1 3 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.846 0.427 19687 1779 1 3 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.786 -0.453 19687 1780 1 3 . 1 1 117 117 LYS H H 117 7.934 7.934 8.207 -0.273 19687 1781 1 3 . 1 1 118 118 VAL N N 118 117.642 117.642 116.818 0.824 19687 1782 1 3 . 1 1 118 118 VAL HA H 118 4.157 4.157 5.008 -0.851 19687 1783 1 3 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.898 0.848 19687 1784 1 3 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.142 0.484 19687 1785 1 3 . 1 1 118 118 VAL H H 118 7.619 7.619 7.676 -0.057 19687 1786 1 3 . 1 1 119 119 PHE N N 119 121.052 121.052 125.357 -4.305 19687 1787 1 3 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.351 -0.138 19687 1788 1 3 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.623 -0.155 19687 1789 1 3 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.837 1.150 19687 1790 1 3 . 1 1 119 119 PHE H H 119 8.860 8.860 8.538 0.322 19687 1791 1 3 . 1 1 120 120 LEU N N 120 117.758 117.758 117.922 -0.164 19687 1792 1 3 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.900 0.202 19687 1793 1 3 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.042 -1.049 19687 1794 1 3 . 1 1 120 120 LEU CB C 120 44.439 44.439 46.959 -2.519 19687 1795 1 3 . 1 1 120 120 LEU H H 120 8.576 8.576 8.830 -0.254 19687 1796 1 3 . 1 1 121 121 GLN N N 121 116.064 116.064 118.422 -2.358 19687 1797 1 3 . 1 1 121 121 GLN HA H 121 4.289 4.289 4.070 0.219 19687 1798 1 3 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.863 0.117 19687 1799 1 3 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.210 0.832 19687 1800 1 3 . 1 1 121 121 GLN H H 121 8.481 8.481 7.972 0.509 19687 1801 1 3 . 1 1 122 122 CYS N N 122 120.052 120.052 116.912 3.140 19687 1802 1 3 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.916 0.324 19687 1803 1 3 . 1 1 122 122 CYS CA C 122 54.865 54.865 57.241 -2.376 19687 1804 1 3 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.784 12.716 19687 1805 1 3 . 1 1 122 122 CYS H H 122 9.203 9.203 8.056 1.147 19687 1806 1 3 . 1 1 123 123 GLN N N 123 115.174 115.174 121.323 -6.149 19687 1807 1 3 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.662 -0.241 19687 1808 1 3 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.111 0.571 19687 1809 1 3 . 1 1 123 123 GLN CB C 123 32.613 32.613 30.351 2.262 19687 1810 1 3 . 1 1 123 123 GLN H H 123 8.106 8.106 8.605 -0.499 19687 1811 1 3 . 1 1 124 124 GLU N N 124 120.534 120.534 124.495 -3.961 19687 1812 1 3 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.461 -0.313 19687 1813 1 3 . 1 1 124 124 GLU CA C 124 55.960 55.960 55.763 0.197 19687 1814 1 3 . 1 1 124 124 GLU CB C 124 32.752 32.752 32.137 0.615 19687 1815 1 3 . 1 1 124 124 GLU H H 124 8.578 8.578 8.807 -0.229 19687 1816 1 3 . 1 1 132 132 TYR N N 132 122.981 122.981 115.500 7.481 19687 1817 1 3 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.799 -0.407 19687 1818 1 3 . 1 1 132 132 TYR CA C 132 55.015 55.015 57.212 -2.197 19687 1819 1 3 . 1 1 132 132 TYR H H 132 8.286 8.286 7.792 0.494 19687 1820 1 3 . 1 1 133 133 LEU N N 133 122.894 122.894 119.888 3.006 19687 1821 1 3 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.715 -0.107 19687 1822 1 3 . 1 1 133 133 LEU CA C 133 55.155 55.155 53.825 1.330 19687 1823 1 3 . 1 1 133 133 LEU CB C 133 43.071 43.071 42.845 0.226 19687 1824 1 3 . 1 1 133 133 LEU H H 133 8.102 8.102 8.664 -0.562 19687 1825 1 3 . 1 1 134 134 TRP N N 134 125.713 125.713 126.608 -0.895 19687 1826 1 3 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.286 0.232 19687 1827 1 3 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.060 0.346 19687 1828 1 3 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.587 -0.258 19687 1829 1 3 . 1 1 134 134 TRP H H 134 8.763 8.763 8.542 0.221 19687 1830 1 3 . 1 1 135 135 LYS N N 135 118.492 118.492 128.439 -9.947 19687 1831 1 3 . 1 1 135 135 LYS HA H 135 5.229 5.229 5.030 0.199 19687 1832 1 3 . 1 1 135 135 LYS CA C 135 55.041 55.041 53.960 1.081 19687 1833 1 3 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.378 1.638 19687 1834 1 3 . 1 1 135 135 LYS H H 135 9.321 9.321 9.024 0.297 19687 1835 1 3 . 1 1 136 136 LYS N N 136 121.232 121.232 127.179 -5.947 19687 1836 1 3 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.514 0.177 19687 1837 1 3 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.426 -1.281 19687 1838 1 3 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.161 0.854 19687 1839 1 3 . 1 1 136 136 LYS H H 136 8.509 8.509 7.796 0.713 19687 1840 1 3 . 1 1 137 137 GLY N N 137 116.933 116.933 111.057 5.876 19687 1841 1 3 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.234 0.235 19687 1842 1 3 . 1 1 137 137 GLY H H 137 8.641 8.641 8.562 0.079 19687 1843 1 3 . 1 1 138 138 LYS N N 138 124.712 124.712 117.835 6.877 19687 1844 1 3 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.352 0.074 19687 1845 1 3 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.439 0.735 19687 1846 1 3 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.572 -0.484 19687 1847 1 3 . 1 1 138 138 LYS H H 138 8.963 8.963 8.234 0.729 19687 1848 1 3 . 1 1 139 139 GLU N N 139 120.229 120.229 118.460 1.769 19687 1849 1 3 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.444 -0.271 19687 1850 1 3 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.554 1.710 19687 1851 1 3 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.303 -0.097 19687 1852 1 3 . 1 1 139 139 GLU H H 139 8.011 8.011 7.586 0.425 19687 1853 1 3 . 1 1 140 140 GLU N N 140 123.311 123.311 124.628 -1.317 19687 1854 1 3 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.982 0.236 19687 1855 1 3 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.821 -0.135 19687 1856 1 3 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.091 0.413 19687 1857 1 3 . 1 1 140 140 GLU H H 140 8.811 8.811 8.637 0.174 19687 1858 1 3 . 1 1 141 141 LEU N N 141 121.782 121.782 117.783 3.999 19687 1859 1 3 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.835 -0.383 19687 1860 1 3 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.402 1.814 19687 1861 1 3 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.343 -0.132 19687 1862 1 3 . 1 1 141 141 LEU H H 141 9.291 9.291 7.924 1.367 19687 1863 1 3 . 1 1 142 142 GLY N N 142 125.924 125.924 106.424 19.500 19687 1864 1 3 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.880 -0.309 19687 1865 1 3 . 1 1 142 142 GLY H H 142 7.060 7.060 8.395 -1.335 19687 1866 1 3 . 1 1 143 143 ASN N N 143 117.181 117.181 120.114 -2.933 19687 1867 1 3 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.929 0.973 19687 1868 1 3 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.247 -1.339 19687 1869 1 3 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.768 1.565 19687 1870 1 3 . 1 1 143 143 ASN H H 143 8.472 8.472 8.375 0.097 19687 1871 1 3 . 1 1 144 144 MET N N 144 117.970 117.970 120.995 -3.025 19687 1872 1 3 . 1 1 144 144 MET HA H 144 4.747 4.747 4.877 -0.130 19687 1873 1 3 . 1 1 144 144 MET CA C 144 56.085 56.085 54.772 1.313 19687 1874 1 3 . 1 1 144 144 MET CB C 144 36.425 36.425 35.483 0.942 19687 1875 1 3 . 1 1 144 144 MET H H 144 9.270 9.270 8.219 1.051 19687 1876 1 3 . 1 1 145 145 ARG N N 145 125.032 125.032 120.658 4.374 19687 1877 1 3 . 1 1 145 145 ARG HA H 145 4.275 4.275 4.143 0.132 19687 1878 1 3 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.725 0.156 19687 1879 1 3 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.553 0.754 19687 1880 1 3 . 1 1 145 145 ARG H H 145 9.085 9.085 8.659 0.426 19687 1881 1 3 . 1 1 146 146 GLN N N 146 112.668 112.668 117.300 -4.632 19687 1882 1 3 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.397 0.507 19687 1883 1 3 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.616 -0.261 19687 1884 1 3 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.409 0.524 19687 1885 1 3 . 1 1 146 146 GLN H H 146 7.599 7.599 7.748 -0.149 19687 1886 1 3 . 1 1 147 147 LEU N N 147 122.152 122.152 127.652 -5.500 19687 1887 1 3 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.099 -0.076 19687 1888 1 3 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.336 -2.115 19687 1889 1 3 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.218 1.484 19687 1890 1 3 . 1 1 147 147 LEU H H 147 8.130 8.130 8.157 -0.027 19687 1891 1 3 . 1 1 148 148 ASP N N 148 124.520 124.520 126.927 -2.407 19687 1892 1 3 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.475 -0.554 19687 1893 1 3 . 1 1 148 148 ASP CA C 148 53.321 53.321 52.934 0.387 19687 1894 1 3 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.145 0.311 19687 1895 1 3 . 1 1 148 148 ASP H H 148 8.008 8.008 8.169 -0.161 19687 1896 1 3 . 1 1 149 149 LEU N N 149 124.941 124.941 122.773 2.168 19687 1897 1 3 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.561 -0.648 19687 1898 1 3 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.121 1.067 19687 1899 1 3 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.805 1.493 19687 1900 1 3 . 1 1 149 149 LEU H H 149 8.790 8.790 8.055 0.735 19687 1901 1 3 . 1 1 150 150 GLY N N 150 108.901 108.901 105.734 3.167 19687 1902 1 3 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.676 -1.147 19687 1903 1 3 . 1 1 150 150 GLY H H 150 8.744 8.744 7.024 1.720 19687 1904 1 3 . 1 1 151 151 ALA N N 151 118.338 118.338 120.232 -1.894 19687 1905 1 3 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.663 -0.429 19687 1906 1 3 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.332 3.038 19687 1907 1 3 . 1 1 151 151 ALA CB C 151 19.150 19.150 22.045 -2.895 19687 1908 1 3 . 1 1 151 151 ALA H H 151 8.167 8.167 8.105 0.062 19687 1909 1 3 . 1 1 152 152 ILE N N 152 121.825 121.825 120.785 1.040 19687 1910 1 3 . 1 1 152 152 ILE HA H 152 2.910 2.910 4.003 -1.093 19687 1911 1 3 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.471 1.094 19687 1912 1 3 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.876 0.712 19687 1913 1 3 . 1 1 152 152 ILE H H 152 8.269 8.269 8.057 0.212 19687 1914 1 3 . 1 1 153 153 TYR N N 153 109.544 109.544 116.604 -7.060 19687 1915 1 3 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.515 -0.396 19687 1916 1 3 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.332 1.266 19687 1917 1 3 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.562 -1.204 19687 1918 1 3 . 1 1 153 153 TYR H H 153 6.757 6.757 7.611 -0.854 19687 1919 1 3 . 1 1 154 154 ASP N N 154 117.255 117.255 122.239 -4.984 19687 1920 1 3 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.669 0.035 19687 1921 1 3 . 1 1 154 154 ASP CA C 154 54.897 54.897 52.119 2.778 19687 1922 1 3 . 1 1 154 154 ASP CB C 154 40.733 40.733 40.028 0.705 19687 1923 1 3 . 1 1 154 154 ASP H H 154 7.092 7.092 7.300 -0.208 19687 1924 1 3 . 1 1 155 155 ASP N N 155 115.759 115.759 121.003 -5.244 19687 1925 1 3 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.728 -0.495 19687 1926 1 3 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.522 1.978 19687 1927 1 3 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.517 -1.050 19687 1928 1 3 . 1 1 155 155 ASP H H 155 7.855 7.855 7.606 0.249 19687 1929 1 3 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.313 -0.162 19687 1930 1 3 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.240 1.245 19687 1931 1 3 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.586 -0.894 19687 1932 1 3 . 1 1 157 157 ARG N N 157 115.980 115.980 120.109 -4.129 19687 1933 1 3 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.110 1.031 19687 1934 1 3 . 1 1 157 157 ARG CA C 157 54.793 54.793 58.383 -3.590 19687 1935 1 3 . 1 1 157 157 ARG CB C 157 34.607 34.607 31.007 3.600 19687 1936 1 3 . 1 1 157 157 ARG H H 157 7.888 7.888 8.104 -0.216 19687 1937 1 3 . 1 1 158 158 GLY N N 158 106.901 106.901 104.185 2.716 19687 1938 1 3 . 1 1 158 158 GLY CA C 158 45.611 45.611 43.898 1.713 19687 1939 1 3 . 1 1 158 158 GLY H H 158 8.344 8.344 7.832 0.512 19687 1940 1 3 . 1 1 159 159 THR N N 159 116.699 116.699 113.830 2.869 19687 1941 1 3 . 1 1 159 159 THR CA C 159 63.319 63.319 62.277 1.042 19687 1942 1 3 . 1 1 159 159 THR CB C 159 69.870 69.870 69.883 -0.013 19687 1943 1 3 . 1 1 159 159 THR H H 159 8.228 8.228 7.888 0.340 19687 1944 1 3 . 1 1 160 160 TYR N N 160 123.979 123.979 120.743 3.236 19687 1945 1 3 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.188 0.166 19687 1946 1 3 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.267 2.362 19687 1947 1 3 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.263 2.591 19687 1948 1 3 . 1 1 160 160 TYR H H 160 8.782 8.782 8.116 0.666 19687 1949 1 3 . 1 1 161 161 THR N N 161 115.752 115.752 115.950 -0.198 19687 1950 1 3 . 1 1 161 161 THR HA H 161 5.509 5.509 5.158 0.351 19687 1951 1 3 . 1 1 161 161 THR CA C 161 61.354 61.354 62.258 -0.904 19687 1952 1 3 . 1 1 161 161 THR CB C 161 73.921 73.921 70.745 3.176 19687 1953 1 3 . 1 1 161 161 THR H H 161 9.096 9.096 9.181 -0.085 19687 1954 1 3 . 1 1 162 162 CYS N N 162 119.476 119.476 126.662 -7.186 19687 1955 1 3 . 1 1 162 162 CYS HA H 162 4.533 4.533 5.373 -0.840 19687 1956 1 3 . 1 1 162 162 CYS CA C 162 52.737 52.737 57.133 -4.396 19687 1957 1 3 . 1 1 162 162 CYS CB C 162 43.843 43.843 30.131 13.712 19687 1958 1 3 . 1 1 162 162 CYS H H 162 8.580 8.580 9.182 -0.602 19687 1959 1 3 . 1 1 163 163 GLN N N 163 120.977 120.977 124.438 -3.461 19687 1960 1 3 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.763 0.185 19687 1961 1 3 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.193 0.023 19687 1962 1 3 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.870 0.372 19687 1963 1 3 . 1 1 163 163 GLN H H 163 9.218 9.218 8.316 0.902 19687 1964 1 3 . 1 1 164 164 ARG N N 164 123.963 123.963 118.158 5.805 19687 1965 1 3 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.424 -0.206 19687 1966 1 3 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.319 -0.216 19687 1967 1 3 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.406 2.331 19687 1968 1 3 . 1 1 164 164 ARG H H 164 8.546 8.546 8.561 -0.015 19687 1969 1 3 . 1 1 165 165 ASP N N 165 115.195 115.195 117.963 -2.768 19687 1970 1 3 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.802 -0.133 19687 1971 1 3 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.285 1.647 19687 1972 1 3 . 1 1 165 165 ASP CB C 165 41.643 41.643 43.070 -1.427 19687 1973 1 3 . 1 1 165 165 ASP H H 165 8.040 8.040 7.481 0.559 19687 1974 1 3 . 1 1 166 166 GLU N N 166 113.922 113.922 119.812 -5.890 19687 1975 1 3 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.050 -0.301 19687 1976 1 3 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.520 -0.327 19687 1977 1 3 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.835 -0.349 19687 1978 1 3 . 1 1 166 166 GLU H H 166 8.745 8.745 8.766 -0.021 19687 1979 1 3 . 1 1 167 167 ASN N N 167 113.556 113.556 117.997 -4.441 19687 1980 1 3 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.658 -0.058 19687 1981 1 3 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.833 1.450 19687 1982 1 3 . 1 1 167 167 ASN CB C 167 40.577 40.577 36.546 4.031 19687 1983 1 3 . 1 1 167 167 ASN H H 167 8.540 8.540 8.483 0.057 19687 1984 1 3 . 1 1 168 168 VAL N N 168 120.903 120.903 115.512 5.391 19687 1985 1 3 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.720 0.222 19687 1986 1 3 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.663 -0.492 19687 1987 1 3 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.875 1.026 19687 1988 1 3 . 1 1 168 168 VAL H H 168 7.818 7.818 7.623 0.195 19687 1989 1 3 . 1 1 169 169 ASN N N 169 120.789 120.789 120.991 -0.202 19687 1990 1 3 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.618 0.345 19687 1991 1 3 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.719 -0.992 19687 1992 1 3 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.201 2.039 19687 1993 1 3 . 1 1 169 169 ASN H H 169 8.104 8.104 9.101 -0.997 19687 1994 1 3 . 1 1 170 170 SER N N 170 111.999 111.999 116.712 -4.713 19687 1995 1 3 . 1 1 170 170 SER HA H 170 4.505 4.505 4.544 -0.039 19687 1996 1 3 . 1 1 170 170 SER CA C 170 59.066 59.066 58.817 0.249 19687 1997 1 3 . 1 1 170 170 SER CB C 170 65.677 65.677 63.186 2.491 19687 1998 1 3 . 1 1 170 170 SER H H 170 8.104 8.104 8.017 0.087 19687 1999 1 3 . 1 1 171 171 THR N N 171 121.052 121.052 125.254 -4.202 19687 2000 1 3 . 1 1 171 171 THR HA H 171 5.430 5.430 4.490 0.940 19687 2001 1 3 . 1 1 171 171 THR CA C 171 62.194 62.194 62.283 -0.089 19687 2002 1 3 . 1 1 171 171 THR CB C 171 72.220 72.220 69.238 2.982 19687 2003 1 3 . 1 1 171 171 THR H H 171 8.397 8.397 8.202 0.195 19687 2004 1 3 . 1 1 172 172 LEU N N 172 130.063 130.063 129.231 0.832 19687 2005 1 3 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.683 0.035 19687 2006 1 3 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.756 1.076 19687 2007 1 3 . 1 1 172 172 LEU CB C 172 48.599 48.599 42.625 5.974 19687 2008 1 3 . 1 1 172 172 LEU H H 172 9.515 9.515 9.086 0.429 19687 2009 1 3 . 1 1 173 173 HIS CB C 173 27.207 27.207 30.691 -3.484 19687 2010 1 3 . 1 1 176 176 TYR N N 176 130.457 130.457 120.213 10.244 19687 2011 1 3 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.548 -0.662 19687 2012 1 3 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.669 1.959 19687 2013 1 3 . 1 1 176 176 TYR CB C 176 40.201 40.201 41.215 -1.014 19687 2014 1 3 . 1 1 176 176 TYR H H 176 7.851 7.851 8.129 -0.278 19687 2015 1 3 . 1 1 177 177 ARG N N 177 123.397 123.397 122.395 1.002 19687 2016 1 3 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.537 -0.326 19687 2017 1 3 . 1 1 177 177 ARG CA C 177 55.855 55.855 56.383 -0.528 19687 2018 1 3 . 1 1 177 177 ARG CB C 177 31.076 31.076 32.721 -1.645 19687 2019 1 3 . 1 1 177 177 ARG H H 177 8.591 8.591 8.754 -0.163 19687 2020 1 4 . 1 1 5 5 GLY CA C 5 45.663 45.663 45.816 -0.153 19687 2021 1 4 . 1 1 6 6 GLN N N 6 117.952 117.952 120.191 -2.239 19687 2022 1 4 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.380 -0.181 19687 2023 1 4 . 1 1 6 6 GLN CA C 6 55.767 55.767 55.934 -0.167 19687 2024 1 4 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.526 0.657 19687 2025 1 4 . 1 1 6 6 GLN H H 6 8.143 8.143 8.273 -0.130 19687 2026 1 4 . 1 1 7 7 GLU N N 7 120.150 120.150 120.011 0.139 19687 2027 1 4 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.040 0.050 19687 2028 1 4 . 1 1 7 7 GLU CA C 7 57.080 57.080 56.922 0.158 19687 2029 1 4 . 1 1 7 7 GLU CB C 7 30.461 30.461 28.979 1.482 19687 2030 1 4 . 1 1 7 7 GLU H H 7 8.468 8.468 8.643 -0.175 19687 2031 1 4 . 1 1 8 8 GLU N N 8 117.498 117.498 117.424 0.074 19687 2032 1 4 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.060 0.380 19687 2033 1 4 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.663 -3.408 19687 2034 1 4 . 1 1 8 8 GLU CB C 8 33.805 33.805 30.059 3.746 19687 2035 1 4 . 1 1 8 8 GLU H H 8 7.997 7.997 8.543 -0.546 19687 2036 1 4 . 1 1 9 9 PHE N N 9 121.043 121.043 118.064 2.979 19687 2037 1 4 . 1 1 9 9 PHE H H 9 8.459 8.459 7.786 0.673 19687 2038 1 4 . 1 1 10 10 ALA N N 10 120.252 120.252 119.669 0.583 19687 2039 1 4 . 1 1 10 10 ALA HA H 10 4.602 4.602 3.967 0.635 19687 2040 1 4 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.403 -1.253 19687 2041 1 4 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.281 4.019 19687 2042 1 4 . 1 1 10 10 ALA H H 10 7.566 7.566 8.125 -0.559 19687 2043 1 4 . 1 1 11 11 VAL N N 11 119.476 119.476 116.904 2.572 19687 2044 1 4 . 1 1 11 11 VAL HA H 11 4.234 4.234 4.667 -0.433 19687 2045 1 4 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.912 1.041 19687 2046 1 4 . 1 1 11 11 VAL CB C 11 35.067 35.067 32.442 2.625 19687 2047 1 4 . 1 1 11 11 VAL H H 11 8.440 8.440 7.997 0.443 19687 2048 1 4 . 1 1 12 12 GLU N N 12 126.837 126.837 126.631 0.206 19687 2049 1 4 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.659 -0.111 19687 2050 1 4 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.237 -0.224 19687 2051 1 4 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.212 1.311 19687 2052 1 4 . 1 1 12 12 GLU H H 12 8.787 8.787 8.864 -0.077 19687 2053 1 4 . 1 1 13 13 ILE N N 13 124.712 124.712 125.253 -0.541 19687 2054 1 4 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.151 0.357 19687 2055 1 4 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.422 -0.822 19687 2056 1 4 . 1 1 13 13 ILE CB C 13 39.900 39.900 39.429 0.471 19687 2057 1 4 . 1 1 13 13 ILE H H 13 8.753 8.753 8.653 0.100 19687 2058 1 4 . 1 1 14 14 SER N N 14 121.782 121.782 121.102 0.680 19687 2059 1 4 . 1 1 14 14 SER HA H 14 4.607 4.607 4.839 -0.232 19687 2060 1 4 . 1 1 14 14 SER CA C 14 56.398 56.398 57.825 -1.427 19687 2061 1 4 . 1 1 14 14 SER CB C 14 63.918 63.918 64.078 -0.160 19687 2062 1 4 . 1 1 14 14 SER H H 14 8.475 8.475 8.728 -0.253 19687 2063 1 4 . 1 1 15 15 GLY CA C 15 47.494 47.494 46.858 0.636 19687 2064 1 4 . 1 1 16 16 THR N N 16 114.515 114.515 117.872 -3.357 19687 2065 1 4 . 1 1 16 16 THR HA H 16 4.197 4.197 4.561 -0.364 19687 2066 1 4 . 1 1 16 16 THR CA C 16 61.600 61.600 60.888 0.712 19687 2067 1 4 . 1 1 16 16 THR CB C 16 68.800 68.800 69.273 -0.473 19687 2068 1 4 . 1 1 16 16 THR H H 16 8.636 8.636 8.247 0.389 19687 2069 1 4 . 1 1 17 17 THR N N 17 118.332 118.332 118.454 -0.122 19687 2070 1 4 . 1 1 17 17 THR HA H 17 5.004 5.004 5.237 -0.233 19687 2071 1 4 . 1 1 17 17 THR CA C 17 62.095 62.095 62.249 -0.154 19687 2072 1 4 . 1 1 17 17 THR CB C 17 70.105 70.105 72.105 -2.000 19687 2073 1 4 . 1 1 17 17 THR H H 17 8.353 8.353 7.561 0.792 19687 2074 1 4 . 1 1 18 18 VAL N N 18 127.794 127.794 127.710 0.084 19687 2075 1 4 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.174 -0.594 19687 2076 1 4 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.279 2.020 19687 2077 1 4 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.182 -0.817 19687 2078 1 4 . 1 1 18 18 VAL H H 18 8.843 8.843 9.136 -0.293 19687 2079 1 4 . 1 1 19 19 THR N N 19 121.651 121.651 121.308 0.343 19687 2080 1 4 . 1 1 19 19 THR CA C 19 62.635 62.635 59.355 3.280 19687 2081 1 4 . 1 1 19 19 THR CB C 19 69.854 69.854 70.781 -0.927 19687 2082 1 4 . 1 1 19 19 THR H H 19 8.953 8.953 9.209 -0.256 19687 2083 1 4 . 1 1 20 20 ILE N N 20 106.781 106.781 120.524 -13.743 19687 2084 1 4 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.454 -0.391 19687 2085 1 4 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.272 0.043 19687 2086 1 4 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.235 -0.035 19687 2087 1 4 . 1 1 20 20 ILE H H 20 9.426 9.426 7.681 1.745 19687 2088 1 4 . 1 1 21 21 THR N N 21 121.256 121.256 123.034 -1.778 19687 2089 1 4 . 1 1 21 21 THR HA H 21 5.160 5.160 4.685 0.475 19687 2090 1 4 . 1 1 21 21 THR CA C 21 62.116 62.116 62.977 -0.861 19687 2091 1 4 . 1 1 21 21 THR CB C 21 70.105 70.105 69.701 0.404 19687 2092 1 4 . 1 1 21 21 THR H H 21 9.245 9.245 8.314 0.931 19687 2093 1 4 . 1 1 22 22 CYS N N 22 123.311 123.311 124.893 -1.582 19687 2094 1 4 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.198 -1.477 19687 2095 1 4 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.190 -1.257 19687 2096 1 4 . 1 1 22 22 CYS CB C 22 41.093 41.093 28.105 12.988 19687 2097 1 4 . 1 1 22 22 CYS H H 22 8.930 8.930 8.089 0.841 19687 2098 1 4 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.308 -0.637 19687 2099 1 4 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.254 1.212 19687 2100 1 4 . 1 1 23 23 PRO CB C 23 31.647 31.647 32.240 -0.593 19687 2101 1 4 . 1 1 24 24 SER N N 24 107.893 107.893 114.839 -6.946 19687 2102 1 4 . 1 1 24 24 SER HA H 24 4.289 4.289 4.056 0.233 19687 2103 1 4 . 1 1 24 24 SER CA C 24 58.121 58.121 60.663 -2.542 19687 2104 1 4 . 1 1 24 24 SER CB C 24 65.762 65.762 63.289 2.473 19687 2105 1 4 . 1 1 24 24 SER H H 24 6.307 6.307 7.580 -1.273 19687 2106 1 4 . 1 1 25 25 SER N N 25 113.836 113.836 113.832 0.004 19687 2107 1 4 . 1 1 25 25 SER HA H 25 4.469 4.469 4.491 -0.022 19687 2108 1 4 . 1 1 25 25 SER CA C 25 57.103 57.103 58.344 -1.241 19687 2109 1 4 . 1 1 25 25 SER CB C 25 65.185 65.185 65.271 -0.086 19687 2110 1 4 . 1 1 25 25 SER H H 25 8.121 8.121 8.186 -0.065 19687 2111 1 4 . 1 1 26 26 GLY N N 26 107.245 107.245 108.868 -1.623 19687 2112 1 4 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.154 0.122 19687 2113 1 4 . 1 1 26 26 GLY H H 26 8.194 8.194 8.206 -0.012 19687 2114 1 4 . 1 1 27 27 ASP N N 27 116.002 116.002 119.331 -3.329 19687 2115 1 4 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.648 -0.179 19687 2116 1 4 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.122 1.101 19687 2117 1 4 . 1 1 27 27 ASP CB C 27 41.908 41.908 42.445 -0.537 19687 2118 1 4 . 1 1 27 27 ASP H H 27 8.186 8.186 7.779 0.407 19687 2119 1 4 . 1 1 28 28 ASP N N 28 117.805 117.805 120.272 -2.467 19687 2120 1 4 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.823 -0.318 19687 2121 1 4 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.986 -0.172 19687 2122 1 4 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.858 0.032 19687 2123 1 4 . 1 1 28 28 ASP H H 28 8.319 8.319 7.996 0.323 19687 2124 1 4 . 1 1 29 29 ILE N N 29 120.506 120.506 122.068 -1.562 19687 2125 1 4 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.183 0.007 19687 2126 1 4 . 1 1 29 29 ILE CA C 29 61.156 61.156 61.033 0.123 19687 2127 1 4 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.697 -0.330 19687 2128 1 4 . 1 1 29 29 ILE H H 29 7.913 7.913 8.023 -0.110 19687 2129 1 4 . 1 1 30 30 LYS N N 30 125.490 125.490 127.228 -1.738 19687 2130 1 4 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.596 0.170 19687 2131 1 4 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.619 0.134 19687 2132 1 4 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.244 2.241 19687 2133 1 4 . 1 1 30 30 LYS H H 30 8.177 8.177 8.113 0.064 19687 2134 1 4 . 1 1 31 31 TRP N N 31 121.968 121.968 125.417 -3.449 19687 2135 1 4 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.651 0.647 19687 2136 1 4 . 1 1 31 31 TRP CA C 31 57.573 57.573 57.691 -0.118 19687 2137 1 4 . 1 1 31 31 TRP CB C 31 34.076 34.076 30.241 3.834 19687 2138 1 4 . 1 1 31 31 TRP H H 31 8.752 8.752 8.738 0.014 19687 2139 1 4 . 1 1 32 32 LYS N N 32 118.343 118.343 117.260 1.083 19687 2140 1 4 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.560 -0.337 19687 2141 1 4 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.666 -2.069 19687 2142 1 4 . 1 1 32 32 LYS CB C 32 35.485 35.485 31.189 4.296 19687 2143 1 4 . 1 1 32 32 LYS H H 32 8.876 8.876 8.505 0.371 19687 2144 1 4 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.205 0.092 19687 2145 1 4 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.212 -0.920 19687 2146 1 4 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.793 3.699 19687 2147 1 4 . 1 1 34 34 ASP N N 34 119.044 119.044 114.662 4.382 19687 2148 1 4 . 1 1 34 34 ASP HA H 34 5.342 5.342 5.006 0.336 19687 2149 1 4 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.473 -1.522 19687 2150 1 4 . 1 1 34 34 ASP CB C 34 42.122 42.122 41.202 0.920 19687 2151 1 4 . 1 1 34 34 ASP H H 34 8.039 8.039 8.364 -0.325 19687 2152 1 4 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.384 -0.050 19687 2153 1 4 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.616 0.521 19687 2154 1 4 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.043 0.849 19687 2155 1 4 . 1 1 36 36 ALA N N 36 117.764 117.764 120.718 -2.954 19687 2156 1 4 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.110 0.017 19687 2157 1 4 . 1 1 36 36 ALA CA C 36 54.475 54.475 53.991 0.484 19687 2158 1 4 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.862 0.053 19687 2159 1 4 . 1 1 36 36 ALA H H 36 8.126 8.126 8.248 -0.122 19687 2160 1 4 . 1 1 37 37 LEU N N 37 115.927 115.927 112.158 3.769 19687 2161 1 4 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.416 -0.496 19687 2162 1 4 . 1 1 37 37 LEU CA C 37 55.427 55.427 53.058 2.369 19687 2163 1 4 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.257 -2.679 19687 2164 1 4 . 1 1 37 37 LEU H H 37 7.576 7.576 7.188 0.388 19687 2165 1 4 . 1 1 38 38 GLY N N 38 127.283 127.283 107.912 19.371 19687 2166 1 4 . 1 1 38 38 GLY CA C 38 45.399 45.399 43.923 1.476 19687 2167 1 4 . 1 1 38 38 GLY H H 38 7.341 7.341 7.486 -0.145 19687 2168 1 4 . 1 1 39 39 ASP N N 39 122.925 122.925 122.407 0.518 19687 2169 1 4 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.562 -0.003 19687 2170 1 4 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.949 -0.216 19687 2171 1 4 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.820 -1.732 19687 2172 1 4 . 1 1 39 39 ASP H H 39 9.095 9.095 7.655 1.440 19687 2173 1 4 . 1 1 40 40 ASN N N 40 122.444 122.444 119.311 3.133 19687 2174 1 4 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.436 -0.111 19687 2175 1 4 . 1 1 40 40 ASN CA C 40 56.339 56.339 56.479 -0.140 19687 2176 1 4 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.700 -0.264 19687 2177 1 4 . 1 1 40 40 ASN H H 40 9.267 9.267 8.775 0.492 19687 2178 1 4 . 1 1 41 41 ASN N N 41 119.328 119.328 115.425 3.903 19687 2179 1 4 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.855 -0.421 19687 2180 1 4 . 1 1 41 41 ASN CA C 41 55.053 55.053 52.223 2.830 19687 2181 1 4 . 1 1 41 41 ASN CB C 41 37.768 37.768 37.873 -0.105 19687 2182 1 4 . 1 1 41 41 ASN H H 41 8.661 8.661 8.653 0.008 19687 2183 1 4 . 1 1 42 42 LYS N N 42 119.592 119.592 120.093 -0.501 19687 2184 1 4 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.236 0.350 19687 2185 1 4 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.888 -0.904 19687 2186 1 4 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.606 0.216 19687 2187 1 4 . 1 1 42 42 LYS H H 42 8.195 8.195 7.739 0.456 19687 2188 1 4 . 1 1 43 43 TYR N N 43 123.577 123.577 121.270 2.307 19687 2189 1 4 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.343 -0.568 19687 2190 1 4 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.180 1.193 19687 2191 1 4 . 1 1 43 43 TYR CB C 43 40.262 40.262 39.603 0.659 19687 2192 1 4 . 1 1 43 43 TYR H H 43 8.661 8.661 8.785 -0.124 19687 2193 1 4 . 1 1 44 44 ILE N N 44 124.735 124.735 128.150 -3.415 19687 2194 1 4 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.045 0.514 19687 2195 1 4 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.895 1.318 19687 2196 1 4 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.572 3.620 19687 2197 1 4 . 1 1 44 44 ILE H H 44 7.239 7.239 8.170 -0.931 19687 2198 1 4 . 1 1 45 45 ILE N N 45 126.245 126.245 129.521 -3.276 19687 2199 1 4 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.113 -0.239 19687 2200 1 4 . 1 1 45 45 ILE CA C 45 60.552 60.552 61.305 -0.753 19687 2201 1 4 . 1 1 45 45 ILE CB C 45 39.520 39.520 37.793 1.727 19687 2202 1 4 . 1 1 45 45 ILE H H 45 8.984 8.984 9.060 -0.076 19687 2203 1 4 . 1 1 46 46 GLN N N 46 122.581 122.581 125.304 -2.723 19687 2204 1 4 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.706 -0.507 19687 2205 1 4 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.841 1.366 19687 2206 1 4 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.616 -2.480 19687 2207 1 4 . 1 1 46 46 GLN H H 46 8.356 8.356 8.438 -0.082 19687 2208 1 4 . 1 1 47 47 ASN N N 47 116.902 116.902 117.744 -0.842 19687 2209 1 4 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.270 -0.062 19687 2210 1 4 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.537 -1.117 19687 2211 1 4 . 1 1 47 47 ASN CB C 47 37.945 37.945 38.067 -0.122 19687 2212 1 4 . 1 1 47 47 ASN H H 47 9.115 9.115 8.855 0.260 19687 2213 1 4 . 1 1 48 48 HIS N N 48 117.711 117.711 119.003 -1.292 19687 2214 1 4 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.351 0.001 19687 2215 1 4 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.471 0.202 19687 2216 1 4 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.753 1.295 19687 2217 1 4 . 1 1 48 48 HIS H H 48 8.727 8.727 8.314 0.413 19687 2218 1 4 . 1 1 49 49 ASP N N 49 124.049 124.049 121.193 2.856 19687 2219 1 4 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.728 -0.529 19687 2220 1 4 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.142 0.668 19687 2221 1 4 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.441 -2.209 19687 2222 1 4 . 1 1 49 49 ASP H H 49 7.339 7.339 7.619 -0.280 19687 2223 1 4 . 1 1 50 50 SER N N 50 100.425 100.425 117.270 -16.845 19687 2224 1 4 . 1 1 50 50 SER HA H 50 4.100 4.100 4.372 -0.272 19687 2225 1 4 . 1 1 50 50 SER CA C 50 54.542 54.542 59.407 -4.864 19687 2226 1 4 . 1 1 50 50 SER CB C 50 61.489 61.489 62.463 -0.974 19687 2227 1 4 . 1 1 50 50 SER H H 50 5.420 5.420 8.600 -3.180 19687 2228 1 4 . 1 1 51 51 SER N N 51 115.785 115.785 119.274 -3.489 19687 2229 1 4 . 1 1 51 51 SER HA H 51 4.619 4.619 4.774 -0.155 19687 2230 1 4 . 1 1 51 51 SER CA C 51 57.320 57.320 57.309 0.011 19687 2231 1 4 . 1 1 51 51 SER CB C 51 63.171 63.171 64.980 -1.809 19687 2232 1 4 . 1 1 51 51 SER H H 51 7.543 7.543 8.070 -0.527 19687 2233 1 4 . 1 1 52 52 PRO HA H 52 4.443 4.443 5.122 -0.679 19687 2234 1 4 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.619 2.122 19687 2235 1 4 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.882 -0.061 19687 2236 1 4 . 1 1 53 53 LEU N N 53 120.506 120.506 111.616 8.890 19687 2237 1 4 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.322 0.203 19687 2238 1 4 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.924 -0.224 19687 2239 1 4 . 1 1 53 53 LEU CB C 53 46.300 46.300 44.431 1.869 19687 2240 1 4 . 1 1 53 53 LEU H H 53 8.243 8.243 7.490 0.753 19687 2241 1 4 . 1 1 54 54 THR N N 54 116.375 116.375 118.415 -2.040 19687 2242 1 4 . 1 1 54 54 THR HA H 54 5.307 5.307 4.193 1.114 19687 2243 1 4 . 1 1 54 54 THR CA C 54 61.956 61.956 63.259 -1.303 19687 2244 1 4 . 1 1 54 54 THR CB C 54 70.170 70.170 69.112 1.058 19687 2245 1 4 . 1 1 54 54 THR H H 54 7.839 7.839 8.516 -0.677 19687 2246 1 4 . 1 1 55 55 VAL N N 55 123.311 123.311 128.849 -5.538 19687 2247 1 4 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.363 0.403 19687 2248 1 4 . 1 1 55 55 VAL CA C 55 59.677 59.677 59.534 0.143 19687 2249 1 4 . 1 1 55 55 VAL CB C 55 35.987 35.987 34.005 1.982 19687 2250 1 4 . 1 1 55 55 VAL H H 55 8.941 8.941 8.337 0.604 19687 2251 1 4 . 1 1 56 56 SER N N 56 115.664 115.664 122.994 -7.330 19687 2252 1 4 . 1 1 56 56 SER HA H 56 5.811 5.811 5.277 0.534 19687 2253 1 4 . 1 1 56 56 SER CA C 56 56.606 56.606 57.115 -0.509 19687 2254 1 4 . 1 1 56 56 SER CB C 56 67.712 67.712 64.884 2.828 19687 2255 1 4 . 1 1 56 56 SER H H 56 8.748 8.748 8.538 0.210 19687 2256 1 4 . 1 1 57 57 CYS N N 57 113.093 113.093 117.443 -4.350 19687 2257 1 4 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.319 0.637 19687 2258 1 4 . 1 1 57 57 CYS CA C 57 53.136 53.136 59.033 -5.897 19687 2259 1 4 . 1 1 57 57 CYS CB C 57 48.859 48.859 30.935 17.924 19687 2260 1 4 . 1 1 57 57 CYS H H 57 8.766 8.766 8.501 0.265 19687 2261 1 4 . 1 1 58 58 THR N N 58 115.221 115.221 122.788 -7.567 19687 2262 1 4 . 1 1 58 58 THR HA H 58 4.829 4.829 4.954 -0.125 19687 2263 1 4 . 1 1 58 58 THR CA C 58 61.394 61.394 62.109 -0.715 19687 2264 1 4 . 1 1 58 58 THR CB C 58 70.872 70.872 70.339 0.533 19687 2265 1 4 . 1 1 58 58 THR H H 58 8.440 8.440 7.976 0.464 19687 2266 1 4 . 1 1 59 59 ALA N N 59 128.540 128.540 129.469 -0.929 19687 2267 1 4 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.936 -0.494 19687 2268 1 4 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.195 0.466 19687 2269 1 4 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.761 1.469 19687 2270 1 4 . 1 1 59 59 ALA H H 59 8.489 8.489 8.025 0.464 19687 2271 1 4 . 1 1 60 60 GLY N N 60 114.199 114.199 114.416 -0.217 19687 2272 1 4 . 1 1 60 60 GLY CA C 60 47.668 47.668 46.884 0.784 19687 2273 1 4 . 1 1 60 60 GLY H H 60 9.072 9.072 8.430 0.642 19687 2274 1 4 . 1 1 61 61 ASP N N 61 122.847 122.847 125.573 -2.726 19687 2275 1 4 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.878 -0.526 19687 2276 1 4 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.601 1.004 19687 2277 1 4 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.511 -0.233 19687 2278 1 4 . 1 1 61 61 ASP H H 61 8.553 8.553 8.523 0.030 19687 2279 1 4 . 1 1 62 62 GLN N N 62 117.800 117.800 119.034 -1.234 19687 2280 1 4 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.519 -0.329 19687 2281 1 4 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.968 0.389 19687 2282 1 4 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.246 -0.970 19687 2283 1 4 . 1 1 62 62 GLN H H 62 7.703 7.703 7.544 0.159 19687 2284 1 4 . 1 1 63 63 GLU N N 63 123.165 123.165 121.713 1.452 19687 2285 1 4 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.141 -0.501 19687 2286 1 4 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.631 -0.166 19687 2287 1 4 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.699 0.904 19687 2288 1 4 . 1 1 63 63 GLU H H 63 8.143 8.143 8.844 -0.701 19687 2289 1 4 . 1 1 64 64 HIS N N 64 125.182 125.182 124.847 0.335 19687 2290 1 4 . 1 1 64 64 HIS HA H 64 4.764 4.764 5.057 -0.293 19687 2291 1 4 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.454 -0.177 19687 2292 1 4 . 1 1 64 64 HIS CB C 64 33.100 33.100 34.411 -1.311 19687 2293 1 4 . 1 1 64 64 HIS H H 64 8.925 8.925 8.951 -0.026 19687 2294 1 4 . 1 1 65 65 THR N N 65 120.044 120.044 113.211 6.833 19687 2295 1 4 . 1 1 65 65 THR HA H 65 4.996 4.996 5.305 -0.309 19687 2296 1 4 . 1 1 65 65 THR CA C 65 63.303 63.303 60.650 2.653 19687 2297 1 4 . 1 1 65 65 THR CB C 65 71.145 71.145 72.146 -1.001 19687 2298 1 4 . 1 1 65 65 THR H H 65 9.376 9.376 9.129 0.247 19687 2299 1 4 . 1 1 66 66 MET N N 66 126.414 126.414 121.413 5.001 19687 2300 1 4 . 1 1 66 66 MET HA H 66 5.512 5.512 4.934 0.578 19687 2301 1 4 . 1 1 66 66 MET CA C 66 52.610 52.610 55.189 -2.579 19687 2302 1 4 . 1 1 66 66 MET CB C 66 36.065 36.065 36.713 -0.648 19687 2303 1 4 . 1 1 66 66 MET H H 66 9.422 9.422 8.950 0.472 19687 2304 1 4 . 1 1 67 67 TYR N N 67 124.879 124.879 125.736 -0.857 19687 2305 1 4 . 1 1 67 67 TYR HA H 67 4.807 4.807 4.636 0.171 19687 2306 1 4 . 1 1 67 67 TYR CA C 67 57.601 57.601 59.688 -2.087 19687 2307 1 4 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.705 0.995 19687 2308 1 4 . 1 1 67 67 TYR H H 67 9.023 9.023 8.238 0.785 19687 2309 1 4 . 1 1 68 68 LEU N N 68 127.991 127.991 128.007 -0.016 19687 2310 1 4 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.754 0.029 19687 2311 1 4 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.939 -1.144 19687 2312 1 4 . 1 1 68 68 LEU CB C 68 44.966 44.966 43.997 0.969 19687 2313 1 4 . 1 1 68 68 LEU H H 68 8.714 8.714 8.802 -0.088 19687 2314 1 4 . 1 1 69 69 ASN N N 69 125.992 125.992 125.540 0.452 19687 2315 1 4 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.325 -0.867 19687 2316 1 4 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.956 -0.650 19687 2317 1 4 . 1 1 69 69 ASN CB C 69 37.896 37.896 39.409 -1.513 19687 2318 1 4 . 1 1 69 69 ASN H H 69 8.369 8.369 8.750 -0.381 19687 2319 1 4 . 1 1 70 70 ALA N N 70 122.336 122.336 124.647 -2.311 19687 2320 1 4 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.755 -0.043 19687 2321 1 4 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.682 -1.561 19687 2322 1 4 . 1 1 70 70 ALA CB C 70 21.166 21.166 21.956 -0.790 19687 2323 1 4 . 1 1 70 70 ALA H H 70 8.581 8.581 8.302 0.279 19687 2324 1 4 . 1 1 71 71 LYS N N 71 120.661 120.661 119.975 0.686 19687 2325 1 4 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.743 -0.436 19687 2326 1 4 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.098 -0.142 19687 2327 1 4 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.817 -1.950 19687 2328 1 4 . 1 1 71 71 LYS H H 71 8.558 8.558 8.501 0.057 19687 2329 1 4 . 1 1 72 72 VAL N N 72 114.526 114.526 119.449 -4.923 19687 2330 1 4 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.379 -0.000 19687 2331 1 4 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.135 -1.371 19687 2332 1 4 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.047 2.178 19687 2333 1 4 . 1 1 72 72 VAL H H 72 8.384 8.384 8.386 -0.002 19687 2334 1 4 . 1 1 73 73 GLY N N 73 107.198 107.198 116.125 -8.927 19687 2335 1 4 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.341 0.013 19687 2336 1 4 . 1 1 73 73 GLY H H 73 8.036 8.036 8.834 -0.798 19687 2337 1 4 . 1 1 74 74 SER N N 74 113.743 113.743 118.604 -4.861 19687 2338 1 4 . 1 1 74 74 SER CA C 74 58.043 58.043 56.803 1.240 19687 2339 1 4 . 1 1 74 74 SER CB C 74 64.622 64.622 63.061 1.561 19687 2340 1 4 . 1 1 74 74 SER H H 74 8.292 8.292 8.342 -0.050 19687 2341 1 4 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.404 -0.259 19687 2342 1 4 . 1 1 75 75 ALA CA C 75 53.630 53.630 52.725 0.905 19687 2343 1 4 . 1 1 75 75 ALA CB C 75 19.565 19.565 19.453 0.112 19687 2344 1 4 . 1 1 76 76 ASP N N 76 117.216 117.216 120.364 -3.148 19687 2345 1 4 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.994 -0.594 19687 2346 1 4 . 1 1 76 76 ASP CA C 76 55.110 55.110 53.378 1.732 19687 2347 1 4 . 1 1 76 76 ASP CB C 76 41.466 41.466 43.434 -1.968 19687 2348 1 4 . 1 1 76 76 ASP H H 76 8.189 8.189 8.242 -0.053 19687 2349 1 4 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.798 -0.697 19687 2350 1 4 . 1 1 77 77 ASP CA C 77 53.040 53.040 53.563 -0.523 19687 2351 1 4 . 1 1 82 82 ALA HA H 82 4.073 4.073 3.985 0.088 19687 2352 1 4 . 1 1 82 82 ALA CA C 82 53.462 53.462 53.762 -0.300 19687 2353 1 4 . 1 1 82 82 ALA CB C 82 19.492 19.492 17.553 1.939 19687 2354 1 4 . 1 1 83 83 ALA N N 83 120.555 120.555 124.426 -3.871 19687 2355 1 4 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.538 0.384 19687 2356 1 4 . 1 1 83 83 ALA CA C 83 53.158 53.158 51.393 1.765 19687 2357 1 4 . 1 1 83 83 ALA H H 83 8.048 8.048 8.046 0.002 19687 2358 1 4 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.744 -0.643 19687 2359 1 4 . 1 1 96 96 ASP CA C 96 56.270 56.270 53.532 2.738 19687 2360 1 4 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.754 0.615 19687 2361 1 4 . 1 1 97 97 GLY N N 97 106.760 106.760 108.850 -2.090 19687 2362 1 4 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.876 1.058 19687 2363 1 4 . 1 1 97 97 GLY H H 97 8.313 8.313 8.471 -0.158 19687 2364 1 4 . 1 1 98 98 SER N N 98 114.252 114.252 119.138 -4.886 19687 2365 1 4 . 1 1 98 98 SER HA H 98 4.281 4.281 4.536 -0.255 19687 2366 1 4 . 1 1 98 98 SER CA C 98 59.061 59.061 58.584 0.477 19687 2367 1 4 . 1 1 98 98 SER CB C 98 64.152 64.152 64.074 0.078 19687 2368 1 4 . 1 1 98 98 SER H H 98 8.179 8.179 8.338 -0.159 19687 2369 1 4 . 1 1 99 99 VAL N N 99 119.765 119.765 125.091 -5.326 19687 2370 1 4 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.234 -0.241 19687 2371 1 4 . 1 1 99 99 VAL CA C 99 62.728 62.728 63.171 -0.443 19687 2372 1 4 . 1 1 99 99 VAL CB C 99 32.891 32.891 32.163 0.728 19687 2373 1 4 . 1 1 99 99 VAL H H 99 7.978 7.978 8.346 -0.368 19687 2374 1 4 . 1 1 100 100 ALA N N 100 126.348 126.348 122.422 3.926 19687 2375 1 4 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.579 -0.460 19687 2376 1 4 . 1 1 100 100 ALA CA C 100 52.933 52.933 52.130 0.803 19687 2377 1 4 . 1 1 100 100 ALA CB C 100 20.172 20.172 18.899 1.273 19687 2378 1 4 . 1 1 100 100 ALA H H 100 8.244 8.244 7.798 0.446 19687 2379 1 4 . 1 1 101 101 LYS N N 101 118.495 118.495 119.600 -1.105 19687 2380 1 4 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.375 -0.148 19687 2381 1 4 . 1 1 101 101 LYS CA C 101 56.279 56.279 55.994 0.285 19687 2382 1 4 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.341 1.576 19687 2383 1 4 . 1 1 101 101 LYS H H 101 8.105 8.105 8.000 0.105 19687 2384 1 4 . 1 1 102 102 LEU N N 102 123.225 123.225 121.137 2.088 19687 2385 1 4 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.515 -0.275 19687 2386 1 4 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.193 1.007 19687 2387 1 4 . 1 1 102 102 LEU CB C 102 43.033 43.033 43.370 -0.336 19687 2388 1 4 . 1 1 102 102 LEU H H 102 8.308 8.308 7.535 0.773 19687 2389 1 4 . 1 1 103 103 GLY N N 103 108.552 108.552 109.383 -0.831 19687 2390 1 4 . 1 1 103 103 GLY CA C 103 45.287 45.287 44.380 0.907 19687 2391 1 4 . 1 1 103 103 GLY H H 103 8.286 8.286 8.262 0.024 19687 2392 1 4 . 1 1 104 104 VAL N N 104 118.898 118.898 119.577 -0.679 19687 2393 1 4 . 1 1 104 104 VAL HA H 104 4.386 4.386 3.803 0.583 19687 2394 1 4 . 1 1 104 104 VAL CA C 104 62.978 62.978 64.850 -1.872 19687 2395 1 4 . 1 1 104 104 VAL CB C 104 32.901 32.901 32.089 0.812 19687 2396 1 4 . 1 1 104 104 VAL H H 104 7.845 7.845 8.173 -0.328 19687 2397 1 4 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.715 -0.018 19687 2398 1 4 . 1 1 105 105 HIS CA C 105 55.848 55.848 56.740 -0.892 19687 2399 1 4 . 1 1 105 105 HIS CB C 105 32.961 32.961 30.390 2.571 19687 2400 1 4 . 1 1 106 106 GLY N N 106 108.707 108.707 108.593 0.114 19687 2401 1 4 . 1 1 106 106 GLY CA C 106 45.687 45.687 44.636 1.051 19687 2402 1 4 . 1 1 106 106 GLY H H 106 8.318 8.318 7.938 0.380 19687 2403 1 4 . 1 1 107 107 LEU N N 107 121.670 121.670 123.804 -2.134 19687 2404 1 4 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.774 -0.372 19687 2405 1 4 . 1 1 107 107 LEU CA C 107 55.497 55.497 53.980 1.517 19687 2406 1 4 . 1 1 107 107 LEU CB C 107 43.632 43.632 45.558 -1.926 19687 2407 1 4 . 1 1 107 107 LEU H H 107 8.191 8.191 8.422 -0.231 19687 2408 1 4 . 1 1 108 108 SER N N 108 118.838 118.838 117.722 1.116 19687 2409 1 4 . 1 1 108 108 SER HA H 108 4.704 4.704 4.710 -0.006 19687 2410 1 4 . 1 1 108 108 SER CA C 108 57.430 57.430 57.388 0.042 19687 2411 1 4 . 1 1 108 108 SER CB C 108 65.954 65.954 63.699 2.255 19687 2412 1 4 . 1 1 108 108 SER H H 108 8.523 8.523 8.288 0.235 19687 2413 1 4 . 1 1 109 109 MET N N 109 123.671 123.671 125.824 -2.153 19687 2414 1 4 . 1 1 109 109 MET HA H 109 5.118 5.118 4.644 0.474 19687 2415 1 4 . 1 1 109 109 MET CA C 109 55.146 55.146 56.169 -1.023 19687 2416 1 4 . 1 1 109 109 MET CB C 109 35.799 35.799 34.877 0.922 19687 2417 1 4 . 1 1 109 109 MET H H 109 8.351 8.351 8.366 -0.015 19687 2418 1 4 . 1 1 110 110 SER N N 110 118.211 118.211 114.541 3.670 19687 2419 1 4 . 1 1 110 110 SER HA H 110 4.668 4.668 5.146 -0.478 19687 2420 1 4 . 1 1 110 110 SER CA C 110 57.103 57.103 57.303 -0.200 19687 2421 1 4 . 1 1 110 110 SER CB C 110 66.659 66.659 67.666 -1.007 19687 2422 1 4 . 1 1 110 110 SER H H 110 9.061 9.061 8.158 0.903 19687 2423 1 4 . 1 1 111 111 VAL N N 111 119.042 119.042 116.892 2.150 19687 2424 1 4 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.852 -0.562 19687 2425 1 4 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.400 1.766 19687 2426 1 4 . 1 1 111 111 VAL CB C 111 33.733 33.733 33.824 -0.091 19687 2427 1 4 . 1 1 111 111 VAL H H 111 7.923 7.923 8.302 -0.379 19687 2428 1 4 . 1 1 112 112 LYS N N 112 126.477 126.477 126.325 0.152 19687 2429 1 4 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.577 -0.070 19687 2430 1 4 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.905 -0.073 19687 2431 1 4 . 1 1 112 112 LYS CB C 112 35.955 35.955 34.901 1.054 19687 2432 1 4 . 1 1 112 112 LYS H H 112 9.181 9.181 9.049 0.132 19687 2433 1 4 . 1 1 113 113 GLU N N 113 121.962 121.962 123.620 -1.658 19687 2434 1 4 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.920 0.316 19687 2435 1 4 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.371 -0.576 19687 2436 1 4 . 1 1 113 113 GLU CB C 113 30.714 30.714 30.958 -0.244 19687 2437 1 4 . 1 1 113 113 GLU H H 113 8.410 8.410 8.667 -0.257 19687 2438 1 4 . 1 1 114 114 VAL N N 114 122.453 122.453 123.727 -1.274 19687 2439 1 4 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.538 -0.378 19687 2440 1 4 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.207 2.439 19687 2441 1 4 . 1 1 114 114 VAL CB C 114 35.564 35.564 33.518 2.046 19687 2442 1 4 . 1 1 114 114 VAL H H 114 8.744 8.744 8.297 0.447 19687 2443 1 4 . 1 1 115 115 SER HA H 115 3.884 3.884 4.223 -0.339 19687 2444 1 4 . 1 1 115 115 SER CA C 115 58.726 58.726 60.098 -1.372 19687 2445 1 4 . 1 1 115 115 SER CB C 115 62.588 62.588 62.821 -0.233 19687 2446 1 4 . 1 1 116 116 GLY N N 116 126.353 126.353 112.535 13.818 19687 2447 1 4 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.997 -0.231 19687 2448 1 4 . 1 1 116 116 GLY H H 116 8.744 8.744 8.160 0.584 19687 2449 1 4 . 1 1 117 117 LYS N N 117 120.735 120.735 119.299 1.436 19687 2450 1 4 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.740 -0.140 19687 2451 1 4 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.814 0.459 19687 2452 1 4 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.803 -0.470 19687 2453 1 4 . 1 1 117 117 LYS H H 117 7.934 7.934 8.204 -0.270 19687 2454 1 4 . 1 1 118 118 VAL N N 118 117.642 117.642 116.781 0.861 19687 2455 1 4 . 1 1 118 118 VAL HA H 118 4.157 4.157 5.030 -0.873 19687 2456 1 4 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.692 1.053 19687 2457 1 4 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.362 0.265 19687 2458 1 4 . 1 1 118 118 VAL H H 118 7.619 7.619 7.661 -0.042 19687 2459 1 4 . 1 1 119 119 PHE N N 119 121.052 121.052 125.124 -4.072 19687 2460 1 4 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.452 -0.239 19687 2461 1 4 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.568 -0.100 19687 2462 1 4 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.574 1.413 19687 2463 1 4 . 1 1 119 119 PHE H H 119 8.860 8.860 8.434 0.426 19687 2464 1 4 . 1 1 120 120 LEU N N 120 117.758 117.758 118.015 -0.257 19687 2465 1 4 . 1 1 120 120 LEU HA H 120 5.102 5.102 5.013 0.089 19687 2466 1 4 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.298 -1.305 19687 2467 1 4 . 1 1 120 120 LEU CB C 120 44.439 44.439 47.032 -2.593 19687 2468 1 4 . 1 1 120 120 LEU H H 120 8.576 8.576 8.715 -0.139 19687 2469 1 4 . 1 1 121 121 GLN N N 121 116.064 116.064 116.717 -0.653 19687 2470 1 4 . 1 1 121 121 GLN HA H 121 4.289 4.289 3.891 0.398 19687 2471 1 4 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.422 0.558 19687 2472 1 4 . 1 1 121 121 GLN CB C 121 33.042 33.042 31.826 1.216 19687 2473 1 4 . 1 1 121 121 GLN H H 121 8.481 8.481 8.006 0.475 19687 2474 1 4 . 1 1 122 122 CYS N N 122 120.052 120.052 120.875 -0.823 19687 2475 1 4 . 1 1 122 122 CYS HA H 122 5.240 5.240 5.014 0.226 19687 2476 1 4 . 1 1 122 122 CYS CA C 122 54.865 54.865 56.257 -1.392 19687 2477 1 4 . 1 1 122 122 CYS CB C 122 44.500 44.500 30.728 13.772 19687 2478 1 4 . 1 1 122 122 CYS H H 122 9.203 9.203 8.224 0.979 19687 2479 1 4 . 1 1 123 123 GLN N N 123 115.174 115.174 121.076 -5.902 19687 2480 1 4 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.504 -0.083 19687 2481 1 4 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.702 -0.020 19687 2482 1 4 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.880 2.733 19687 2483 1 4 . 1 1 123 123 GLN H H 123 8.106 8.106 8.606 -0.500 19687 2484 1 4 . 1 1 124 124 GLU N N 124 120.534 120.534 125.982 -5.448 19687 2485 1 4 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.676 -0.528 19687 2486 1 4 . 1 1 124 124 GLU CA C 124 55.960 55.960 56.300 -0.340 19687 2487 1 4 . 1 1 124 124 GLU CB C 124 32.752 32.752 31.965 0.786 19687 2488 1 4 . 1 1 124 124 GLU H H 124 8.578 8.578 8.942 -0.364 19687 2489 1 4 . 1 1 132 132 TYR N N 132 122.981 122.981 119.081 3.900 19687 2490 1 4 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.758 -0.366 19687 2491 1 4 . 1 1 132 132 TYR CA C 132 55.015 55.015 56.604 -1.589 19687 2492 1 4 . 1 1 132 132 TYR H H 132 8.286 8.286 8.371 -0.085 19687 2493 1 4 . 1 1 133 133 LEU N N 133 122.894 122.894 123.961 -1.067 19687 2494 1 4 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.425 0.183 19687 2495 1 4 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.972 0.183 19687 2496 1 4 . 1 1 133 133 LEU CB C 133 43.071 43.071 42.568 0.503 19687 2497 1 4 . 1 1 133 133 LEU H H 133 8.102 8.102 8.674 -0.572 19687 2498 1 4 . 1 1 134 134 TRP N N 134 125.713 125.713 126.570 -0.857 19687 2499 1 4 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.252 0.266 19687 2500 1 4 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.275 0.131 19687 2501 1 4 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.568 -0.239 19687 2502 1 4 . 1 1 134 134 TRP H H 134 8.763 8.763 8.395 0.368 19687 2503 1 4 . 1 1 135 135 LYS N N 135 118.492 118.492 128.879 -10.387 19687 2504 1 4 . 1 1 135 135 LYS HA H 135 5.229 5.229 4.935 0.294 19687 2505 1 4 . 1 1 135 135 LYS CA C 135 55.041 55.041 53.924 1.117 19687 2506 1 4 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.517 1.500 19687 2507 1 4 . 1 1 135 135 LYS H H 135 9.321 9.321 8.856 0.465 19687 2508 1 4 . 1 1 136 136 LYS N N 136 121.232 121.232 127.541 -6.309 19687 2509 1 4 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.554 0.137 19687 2510 1 4 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.095 -0.950 19687 2511 1 4 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.287 0.728 19687 2512 1 4 . 1 1 136 136 LYS H H 136 8.509 8.509 7.648 0.861 19687 2513 1 4 . 1 1 137 137 GLY N N 137 116.933 116.933 111.928 5.005 19687 2514 1 4 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.216 0.253 19687 2515 1 4 . 1 1 137 137 GLY H H 137 8.641 8.641 8.584 0.057 19687 2516 1 4 . 1 1 138 138 LYS N N 138 124.712 124.712 118.546 6.166 19687 2517 1 4 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.389 0.037 19687 2518 1 4 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.132 1.042 19687 2519 1 4 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.482 -0.395 19687 2520 1 4 . 1 1 138 138 LYS H H 138 8.963 8.963 8.153 0.810 19687 2521 1 4 . 1 1 139 139 GLU N N 139 120.229 120.229 118.085 2.144 19687 2522 1 4 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.400 -0.227 19687 2523 1 4 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.511 1.753 19687 2524 1 4 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.304 -0.098 19687 2525 1 4 . 1 1 139 139 GLU H H 139 8.011 8.011 7.609 0.402 19687 2526 1 4 . 1 1 140 140 GLU N N 140 123.311 123.311 125.067 -1.756 19687 2527 1 4 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.959 0.259 19687 2528 1 4 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.727 -0.041 19687 2529 1 4 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.107 0.397 19687 2530 1 4 . 1 1 140 140 GLU H H 140 8.811 8.811 8.552 0.259 19687 2531 1 4 . 1 1 141 141 LEU N N 141 121.782 121.782 117.874 3.908 19687 2532 1 4 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.744 -0.292 19687 2533 1 4 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.330 1.886 19687 2534 1 4 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.836 -0.625 19687 2535 1 4 . 1 1 141 141 LEU H H 141 9.291 9.291 8.265 1.026 19687 2536 1 4 . 1 1 142 142 GLY N N 142 125.924 125.924 106.464 19.460 19687 2537 1 4 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.936 -0.365 19687 2538 1 4 . 1 1 142 142 GLY H H 142 7.060 7.060 8.375 -1.315 19687 2539 1 4 . 1 1 143 143 ASN N N 143 117.181 117.181 119.915 -2.734 19687 2540 1 4 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.590 1.312 19687 2541 1 4 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.087 -1.179 19687 2542 1 4 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.549 1.784 19687 2543 1 4 . 1 1 143 143 ASN H H 143 8.472 8.472 8.401 0.071 19687 2544 1 4 . 1 1 144 144 MET N N 144 117.970 117.970 120.515 -2.545 19687 2545 1 4 . 1 1 144 144 MET HA H 144 4.747 4.747 4.897 -0.150 19687 2546 1 4 . 1 1 144 144 MET CA C 144 56.085 56.085 54.509 1.576 19687 2547 1 4 . 1 1 144 144 MET CB C 144 36.425 36.425 36.094 0.330 19687 2548 1 4 . 1 1 144 144 MET H H 144 9.270 9.270 7.901 1.369 19687 2549 1 4 . 1 1 145 145 ARG N N 145 125.032 125.032 120.670 4.362 19687 2550 1 4 . 1 1 145 145 ARG HA H 145 4.275 4.275 3.931 0.344 19687 2551 1 4 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.753 0.128 19687 2552 1 4 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.624 0.683 19687 2553 1 4 . 1 1 145 145 ARG H H 145 9.085 9.085 8.667 0.418 19687 2554 1 4 . 1 1 146 146 GLN N N 146 112.668 112.668 116.452 -3.784 19687 2555 1 4 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.715 0.189 19687 2556 1 4 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.599 -0.244 19687 2557 1 4 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.831 0.102 19687 2558 1 4 . 1 1 146 146 GLN H H 146 7.599 7.599 7.732 -0.133 19687 2559 1 4 . 1 1 147 147 LEU N N 147 122.152 122.152 126.227 -4.075 19687 2560 1 4 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.200 -0.177 19687 2561 1 4 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.347 -2.126 19687 2562 1 4 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.389 1.312 19687 2563 1 4 . 1 1 147 147 LEU H H 147 8.130 8.130 8.353 -0.223 19687 2564 1 4 . 1 1 148 148 ASP N N 148 124.520 124.520 126.714 -2.194 19687 2565 1 4 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.553 -0.632 19687 2566 1 4 . 1 1 148 148 ASP CA C 148 53.321 53.321 53.296 0.025 19687 2567 1 4 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.407 0.049 19687 2568 1 4 . 1 1 148 148 ASP H H 148 8.008 8.008 8.275 -0.267 19687 2569 1 4 . 1 1 149 149 LEU N N 149 124.941 124.941 122.114 2.827 19687 2570 1 4 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.555 -0.642 19687 2571 1 4 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.080 1.108 19687 2572 1 4 . 1 1 149 149 LEU CB C 149 42.298 42.298 41.061 1.237 19687 2573 1 4 . 1 1 149 149 LEU H H 149 8.790 8.790 8.145 0.645 19687 2574 1 4 . 1 1 150 150 GLY N N 150 108.901 108.901 106.268 2.633 19687 2575 1 4 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.572 -1.042 19687 2576 1 4 . 1 1 150 150 GLY H H 150 8.744 8.744 7.205 1.539 19687 2577 1 4 . 1 1 151 151 ALA N N 151 118.338 118.338 120.444 -2.106 19687 2578 1 4 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.670 -0.436 19687 2579 1 4 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.434 2.936 19687 2580 1 4 . 1 1 151 151 ALA CB C 151 19.150 19.150 22.035 -2.885 19687 2581 1 4 . 1 1 151 151 ALA H H 151 8.167 8.167 8.046 0.121 19687 2582 1 4 . 1 1 152 152 ILE N N 152 121.825 121.825 120.956 0.869 19687 2583 1 4 . 1 1 152 152 ILE HA H 152 2.910 2.910 4.016 -1.106 19687 2584 1 4 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.718 0.847 19687 2585 1 4 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.944 0.644 19687 2586 1 4 . 1 1 152 152 ILE H H 152 8.269 8.269 8.040 0.229 19687 2587 1 4 . 1 1 153 153 TYR N N 153 109.544 109.544 117.558 -8.014 19687 2588 1 4 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.491 -0.372 19687 2589 1 4 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.499 1.099 19687 2590 1 4 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.240 -0.882 19687 2591 1 4 . 1 1 153 153 TYR H H 153 6.757 6.757 7.667 -0.910 19687 2592 1 4 . 1 1 154 154 ASP N N 154 117.255 117.255 121.734 -4.479 19687 2593 1 4 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.631 0.073 19687 2594 1 4 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.740 3.157 19687 2595 1 4 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.700 1.033 19687 2596 1 4 . 1 1 154 154 ASP H H 154 7.092 7.092 7.237 -0.145 19687 2597 1 4 . 1 1 155 155 ASP N N 155 115.759 115.759 120.960 -5.201 19687 2598 1 4 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.676 -0.443 19687 2599 1 4 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.780 1.720 19687 2600 1 4 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.249 -0.782 19687 2601 1 4 . 1 1 155 155 ASP H H 155 7.855 7.855 7.599 0.256 19687 2602 1 4 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.392 -0.241 19687 2603 1 4 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.258 1.227 19687 2604 1 4 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.383 -0.691 19687 2605 1 4 . 1 1 157 157 ARG N N 157 115.980 115.980 118.163 -2.183 19687 2606 1 4 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.077 1.064 19687 2607 1 4 . 1 1 157 157 ARG CA C 157 54.793 54.793 57.996 -3.203 19687 2608 1 4 . 1 1 157 157 ARG CB C 157 34.607 34.607 31.026 3.581 19687 2609 1 4 . 1 1 157 157 ARG H H 157 7.888 7.888 9.029 -1.141 19687 2610 1 4 . 1 1 158 158 GLY N N 158 106.901 106.901 105.677 1.224 19687 2611 1 4 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.574 1.037 19687 2612 1 4 . 1 1 158 158 GLY H H 158 8.344 8.344 7.159 1.185 19687 2613 1 4 . 1 1 159 159 THR N N 159 116.699 116.699 118.627 -1.928 19687 2614 1 4 . 1 1 159 159 THR CA C 159 63.319 63.319 60.873 2.446 19687 2615 1 4 . 1 1 159 159 THR CB C 159 69.870 69.870 69.855 0.015 19687 2616 1 4 . 1 1 159 159 THR H H 159 8.228 8.228 7.917 0.311 19687 2617 1 4 . 1 1 160 160 TYR N N 160 123.979 123.979 126.547 -2.568 19687 2618 1 4 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.015 0.339 19687 2619 1 4 . 1 1 160 160 TYR CA C 160 57.629 57.629 54.827 2.802 19687 2620 1 4 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.842 2.012 19687 2621 1 4 . 1 1 160 160 TYR H H 160 8.782 8.782 8.447 0.335 19687 2622 1 4 . 1 1 161 161 THR N N 161 115.752 115.752 115.572 0.180 19687 2623 1 4 . 1 1 161 161 THR HA H 161 5.509 5.509 5.088 0.421 19687 2624 1 4 . 1 1 161 161 THR CA C 161 61.354 61.354 62.032 -0.678 19687 2625 1 4 . 1 1 161 161 THR CB C 161 73.921 73.921 70.741 3.180 19687 2626 1 4 . 1 1 161 161 THR H H 161 9.096 9.096 8.941 0.155 19687 2627 1 4 . 1 1 162 162 CYS N N 162 119.476 119.476 126.275 -6.799 19687 2628 1 4 . 1 1 162 162 CYS HA H 162 4.533 4.533 4.965 -0.432 19687 2629 1 4 . 1 1 162 162 CYS CA C 162 52.737 52.737 57.489 -4.752 19687 2630 1 4 . 1 1 162 162 CYS CB C 162 43.843 43.843 30.084 13.759 19687 2631 1 4 . 1 1 162 162 CYS H H 162 8.580 8.580 9.168 -0.588 19687 2632 1 4 . 1 1 163 163 GLN N N 163 120.977 120.977 123.724 -2.747 19687 2633 1 4 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.444 0.504 19687 2634 1 4 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.222 -0.006 19687 2635 1 4 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.579 0.663 19687 2636 1 4 . 1 1 163 163 GLN H H 163 9.218 9.218 8.194 1.024 19687 2637 1 4 . 1 1 164 164 ARG N N 164 123.963 123.963 120.652 3.311 19687 2638 1 4 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.393 -0.175 19687 2639 1 4 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.355 -0.252 19687 2640 1 4 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.870 1.867 19687 2641 1 4 . 1 1 164 164 ARG H H 164 8.546 8.546 8.334 0.212 19687 2642 1 4 . 1 1 165 165 ASP N N 165 115.195 115.195 114.576 0.619 19687 2643 1 4 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.706 -0.037 19687 2644 1 4 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.532 1.400 19687 2645 1 4 . 1 1 165 165 ASP CB C 165 41.643 41.643 42.895 -1.252 19687 2646 1 4 . 1 1 165 165 ASP H H 165 8.040 8.040 7.529 0.511 19687 2647 1 4 . 1 1 166 166 GLU N N 166 113.922 113.922 120.270 -6.348 19687 2648 1 4 . 1 1 166 166 GLU HA H 166 3.749 3.749 3.998 -0.249 19687 2649 1 4 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.733 -0.539 19687 2650 1 4 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.793 -0.306 19687 2651 1 4 . 1 1 166 166 GLU H H 166 8.745 8.745 8.785 -0.040 19687 2652 1 4 . 1 1 167 167 ASN N N 167 113.556 113.556 118.552 -4.996 19687 2653 1 4 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.615 -0.015 19687 2654 1 4 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.749 1.534 19687 2655 1 4 . 1 1 167 167 ASN CB C 167 40.577 40.577 37.000 3.577 19687 2656 1 4 . 1 1 167 167 ASN H H 167 8.540 8.540 8.555 -0.015 19687 2657 1 4 . 1 1 168 168 VAL N N 168 120.903 120.903 114.710 6.193 19687 2658 1 4 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.929 0.013 19687 2659 1 4 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.628 -0.457 19687 2660 1 4 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.646 1.255 19687 2661 1 4 . 1 1 168 168 VAL H H 168 7.818 7.818 7.582 0.236 19687 2662 1 4 . 1 1 169 169 ASN N N 169 120.789 120.789 121.419 -0.630 19687 2663 1 4 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.686 0.277 19687 2664 1 4 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.452 -0.725 19687 2665 1 4 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.596 1.644 19687 2666 1 4 . 1 1 169 169 ASN H H 169 8.104 8.104 8.576 -0.472 19687 2667 1 4 . 1 1 170 170 SER N N 170 111.999 111.999 117.705 -5.706 19687 2668 1 4 . 1 1 170 170 SER HA H 170 4.505 4.505 4.567 -0.062 19687 2669 1 4 . 1 1 170 170 SER CA C 170 59.066 59.066 58.811 0.255 19687 2670 1 4 . 1 1 170 170 SER CB C 170 65.677 65.677 62.797 2.880 19687 2671 1 4 . 1 1 170 170 SER H H 170 8.104 8.104 8.076 0.028 19687 2672 1 4 . 1 1 171 171 THR N N 171 121.052 121.052 123.211 -2.159 19687 2673 1 4 . 1 1 171 171 THR HA H 171 5.430 5.430 4.554 0.876 19687 2674 1 4 . 1 1 171 171 THR CA C 171 62.194 62.194 63.039 -0.846 19687 2675 1 4 . 1 1 171 171 THR CB C 171 72.220 72.220 69.002 3.218 19687 2676 1 4 . 1 1 171 171 THR H H 171 8.397 8.397 8.202 0.195 19687 2677 1 4 . 1 1 172 172 LEU N N 172 130.063 130.063 129.665 0.398 19687 2678 1 4 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.644 0.074 19687 2679 1 4 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.435 1.397 19687 2680 1 4 . 1 1 172 172 LEU CB C 172 48.599 48.599 42.512 6.087 19687 2681 1 4 . 1 1 172 172 LEU H H 172 9.515 9.515 8.919 0.596 19687 2682 1 4 . 1 1 173 173 HIS CB C 173 27.207 27.207 32.347 -5.140 19687 2683 1 4 . 1 1 176 176 TYR N N 176 130.457 130.457 119.815 10.642 19687 2684 1 4 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.315 -0.429 19687 2685 1 4 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.400 2.228 19687 2686 1 4 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.485 -0.284 19687 2687 1 4 . 1 1 176 176 TYR H H 176 7.851 7.851 7.846 0.005 19687 2688 1 4 . 1 1 177 177 ARG N N 177 123.397 123.397 121.232 2.165 19687 2689 1 4 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.488 -0.277 19687 2690 1 4 . 1 1 177 177 ARG CA C 177 55.855 55.855 56.389 -0.534 19687 2691 1 4 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.174 -0.098 19687 2692 1 4 . 1 1 177 177 ARG H H 177 8.591 8.591 8.819 -0.228 19687 2693 1 5 . 1 1 5 5 GLY CA C 5 45.663 45.663 44.229 1.434 19687 2694 1 5 . 1 1 6 6 GLN N N 6 117.952 117.952 116.996 0.956 19687 2695 1 5 . 1 1 6 6 GLN HA H 6 4.199 4.199 3.887 0.312 19687 2696 1 5 . 1 1 6 6 GLN CA C 6 55.767 55.767 54.959 0.808 19687 2697 1 5 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.921 0.262 19687 2698 1 5 . 1 1 6 6 GLN H H 6 8.143 8.143 8.103 0.040 19687 2699 1 5 . 1 1 7 7 GLU N N 7 120.150 120.150 122.247 -2.097 19687 2700 1 5 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.548 -0.458 19687 2701 1 5 . 1 1 7 7 GLU CA C 7 57.080 57.080 55.433 1.647 19687 2702 1 5 . 1 1 7 7 GLU CB C 7 30.461 30.461 29.430 1.031 19687 2703 1 5 . 1 1 7 7 GLU H H 7 8.468 8.468 8.925 -0.457 19687 2704 1 5 . 1 1 8 8 GLU N N 8 117.498 117.498 120.459 -2.961 19687 2705 1 5 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.066 0.374 19687 2706 1 5 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.270 -3.014 19687 2707 1 5 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.959 3.846 19687 2708 1 5 . 1 1 8 8 GLU H H 8 7.997 7.997 7.946 0.051 19687 2709 1 5 . 1 1 9 9 PHE N N 9 121.043 121.043 118.391 2.652 19687 2710 1 5 . 1 1 9 9 PHE H H 9 8.459 8.459 8.279 0.180 19687 2711 1 5 . 1 1 10 10 ALA N N 10 120.252 120.252 117.035 3.217 19687 2712 1 5 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.030 0.572 19687 2713 1 5 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.373 -1.222 19687 2714 1 5 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.493 3.807 19687 2715 1 5 . 1 1 10 10 ALA H H 10 7.566 7.566 8.172 -0.606 19687 2716 1 5 . 1 1 11 11 VAL N N 11 119.476 119.476 117.446 2.030 19687 2717 1 5 . 1 1 11 11 VAL HA H 11 4.234 4.234 5.235 -1.001 19687 2718 1 5 . 1 1 11 11 VAL CA C 11 61.953 61.953 59.903 2.050 19687 2719 1 5 . 1 1 11 11 VAL CB C 11 35.067 35.067 33.742 1.325 19687 2720 1 5 . 1 1 11 11 VAL H H 11 8.440 8.440 7.878 0.562 19687 2721 1 5 . 1 1 12 12 GLU N N 12 126.837 126.837 125.945 0.892 19687 2722 1 5 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.715 -0.167 19687 2723 1 5 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.104 -0.091 19687 2724 1 5 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.408 1.115 19687 2725 1 5 . 1 1 12 12 GLU H H 12 8.787 8.787 9.039 -0.252 19687 2726 1 5 . 1 1 13 13 ILE N N 13 124.712 124.712 127.169 -2.457 19687 2727 1 5 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.156 0.352 19687 2728 1 5 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.474 -0.874 19687 2729 1 5 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.198 1.702 19687 2730 1 5 . 1 1 13 13 ILE H H 13 8.753 8.753 8.678 0.075 19687 2731 1 5 . 1 1 14 14 SER N N 14 121.782 121.782 124.283 -2.501 19687 2732 1 5 . 1 1 14 14 SER HA H 14 4.607 4.607 4.849 -0.242 19687 2733 1 5 . 1 1 14 14 SER CA C 14 56.398 56.398 56.738 -0.340 19687 2734 1 5 . 1 1 14 14 SER CB C 14 63.918 63.918 64.538 -0.620 19687 2735 1 5 . 1 1 14 14 SER H H 14 8.475 8.475 8.960 -0.485 19687 2736 1 5 . 1 1 15 15 GLY CA C 15 47.494 47.494 47.194 0.300 19687 2737 1 5 . 1 1 16 16 THR N N 16 114.515 114.515 115.671 -1.156 19687 2738 1 5 . 1 1 16 16 THR HA H 16 4.197 4.197 4.479 -0.282 19687 2739 1 5 . 1 1 16 16 THR CA C 16 61.600 61.600 60.999 0.601 19687 2740 1 5 . 1 1 16 16 THR CB C 16 68.800 68.800 68.970 -0.170 19687 2741 1 5 . 1 1 16 16 THR H H 16 8.636 8.636 8.099 0.537 19687 2742 1 5 . 1 1 17 17 THR N N 17 118.332 118.332 117.738 0.594 19687 2743 1 5 . 1 1 17 17 THR HA H 17 5.004 5.004 5.041 -0.037 19687 2744 1 5 . 1 1 17 17 THR CA C 17 62.095 62.095 61.466 0.629 19687 2745 1 5 . 1 1 17 17 THR CB C 17 70.105 70.105 72.299 -2.194 19687 2746 1 5 . 1 1 17 17 THR H H 17 8.353 8.353 8.152 0.201 19687 2747 1 5 . 1 1 18 18 VAL N N 18 127.794 127.794 125.439 2.355 19687 2748 1 5 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.231 -0.651 19687 2749 1 5 . 1 1 18 18 VAL CA C 18 61.299 61.299 58.917 2.382 19687 2750 1 5 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.119 -0.754 19687 2751 1 5 . 1 1 18 18 VAL H H 18 8.843 8.843 8.573 0.270 19687 2752 1 5 . 1 1 19 19 THR N N 19 121.651 121.651 122.366 -0.715 19687 2753 1 5 . 1 1 19 19 THR CA C 19 62.635 62.635 59.318 3.317 19687 2754 1 5 . 1 1 19 19 THR CB C 19 69.854 69.854 71.008 -1.154 19687 2755 1 5 . 1 1 19 19 THR H H 19 8.953 8.953 8.830 0.123 19687 2756 1 5 . 1 1 20 20 ILE N N 20 106.781 106.781 127.260 -20.479 19687 2757 1 5 . 1 1 20 20 ILE HA H 20 4.063 4.063 5.122 -1.059 19687 2758 1 5 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.103 0.212 19687 2759 1 5 . 1 1 20 20 ILE CB C 20 41.200 41.200 42.028 -0.828 19687 2760 1 5 . 1 1 20 20 ILE H H 20 9.426 9.426 8.410 1.016 19687 2761 1 5 . 1 1 21 21 THR N N 21 121.256 121.256 120.812 0.444 19687 2762 1 5 . 1 1 21 21 THR HA H 21 5.160 5.160 5.007 0.153 19687 2763 1 5 . 1 1 21 21 THR CA C 21 62.116 62.116 61.162 0.954 19687 2764 1 5 . 1 1 21 21 THR CB C 21 70.105 70.105 70.543 -0.438 19687 2765 1 5 . 1 1 21 21 THR H H 21 9.245 9.245 8.605 0.640 19687 2766 1 5 . 1 1 22 22 CYS N N 22 123.311 123.311 126.961 -3.650 19687 2767 1 5 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.320 -1.599 19687 2768 1 5 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.492 -1.559 19687 2769 1 5 . 1 1 22 22 CYS CB C 22 41.093 41.093 26.526 14.567 19687 2770 1 5 . 1 1 22 22 CYS H H 22 8.930 8.930 8.256 0.674 19687 2771 1 5 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.007 -0.337 19687 2772 1 5 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.188 1.278 19687 2773 1 5 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.273 0.374 19687 2774 1 5 . 1 1 24 24 SER N N 24 107.893 107.893 112.533 -4.640 19687 2775 1 5 . 1 1 24 24 SER HA H 24 4.289 4.289 4.274 0.015 19687 2776 1 5 . 1 1 24 24 SER CA C 24 58.121 58.121 59.158 -1.037 19687 2777 1 5 . 1 1 24 24 SER CB C 24 65.762 65.762 63.895 1.867 19687 2778 1 5 . 1 1 24 24 SER H H 24 6.307 6.307 7.302 -0.995 19687 2779 1 5 . 1 1 25 25 SER N N 25 113.836 113.836 116.917 -3.081 19687 2780 1 5 . 1 1 25 25 SER HA H 25 4.469 4.469 4.224 0.245 19687 2781 1 5 . 1 1 25 25 SER CA C 25 57.103 57.103 60.495 -3.392 19687 2782 1 5 . 1 1 25 25 SER CB C 25 65.185 65.185 63.478 1.707 19687 2783 1 5 . 1 1 25 25 SER H H 25 8.121 8.121 8.763 -0.642 19687 2784 1 5 . 1 1 26 26 GLY N N 26 107.245 107.245 106.952 0.293 19687 2785 1 5 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.073 0.203 19687 2786 1 5 . 1 1 26 26 GLY H H 26 8.194 8.194 7.785 0.409 19687 2787 1 5 . 1 1 27 27 ASP N N 27 116.002 116.002 119.985 -3.983 19687 2788 1 5 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.664 -0.195 19687 2789 1 5 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.501 0.722 19687 2790 1 5 . 1 1 27 27 ASP CB C 27 41.908 41.908 42.377 -0.469 19687 2791 1 5 . 1 1 27 27 ASP H H 27 8.186 8.186 8.305 -0.119 19687 2792 1 5 . 1 1 28 28 ASP N N 28 117.805 117.805 119.393 -1.588 19687 2793 1 5 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.861 -0.356 19687 2794 1 5 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.653 0.161 19687 2795 1 5 . 1 1 28 28 ASP CB C 28 40.890 40.890 42.193 -1.303 19687 2796 1 5 . 1 1 28 28 ASP H H 28 8.319 8.319 8.087 0.232 19687 2797 1 5 . 1 1 29 29 ILE N N 29 120.506 120.506 121.172 -0.666 19687 2798 1 5 . 1 1 29 29 ILE HA H 29 4.190 4.190 3.896 0.294 19687 2799 1 5 . 1 1 29 29 ILE CA C 29 61.156 61.156 62.017 -0.862 19687 2800 1 5 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.378 -0.011 19687 2801 1 5 . 1 1 29 29 ILE H H 29 7.913 7.913 8.160 -0.247 19687 2802 1 5 . 1 1 30 30 LYS N N 30 125.490 125.490 125.091 0.399 19687 2803 1 5 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.654 0.112 19687 2804 1 5 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.735 0.018 19687 2805 1 5 . 1 1 30 30 LYS CB C 30 35.485 35.485 34.339 1.147 19687 2806 1 5 . 1 1 30 30 LYS H H 30 8.177 8.177 7.919 0.258 19687 2807 1 5 . 1 1 31 31 TRP N N 31 121.968 121.968 124.756 -2.788 19687 2808 1 5 . 1 1 31 31 TRP HA H 31 5.298 5.298 5.272 0.026 19687 2809 1 5 . 1 1 31 31 TRP CA C 31 57.573 57.573 56.520 1.053 19687 2810 1 5 . 1 1 31 31 TRP CB C 31 34.076 34.076 31.611 2.465 19687 2811 1 5 . 1 1 31 31 TRP H H 31 8.752 8.752 8.742 0.010 19687 2812 1 5 . 1 1 32 32 LYS N N 32 118.343 118.343 117.710 0.633 19687 2813 1 5 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.587 -0.364 19687 2814 1 5 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.578 -1.981 19687 2815 1 5 . 1 1 32 32 LYS CB C 32 35.485 35.485 31.012 4.473 19687 2816 1 5 . 1 1 32 32 LYS H H 32 8.876 8.876 8.478 0.398 19687 2817 1 5 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.196 0.101 19687 2818 1 5 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.154 -0.863 19687 2819 1 5 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.788 3.704 19687 2820 1 5 . 1 1 34 34 ASP N N 34 119.044 119.044 113.760 5.284 19687 2821 1 5 . 1 1 34 34 ASP HA H 34 5.342 5.342 5.067 0.275 19687 2822 1 5 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.801 -1.850 19687 2823 1 5 . 1 1 34 34 ASP CB C 34 42.122 42.122 42.183 -0.061 19687 2824 1 5 . 1 1 34 34 ASP H H 34 8.039 8.039 8.173 -0.134 19687 2825 1 5 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.463 -0.129 19687 2826 1 5 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.679 0.458 19687 2827 1 5 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.070 0.822 19687 2828 1 5 . 1 1 36 36 ALA N N 36 117.764 117.764 118.953 -1.189 19687 2829 1 5 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.111 0.016 19687 2830 1 5 . 1 1 36 36 ALA CA C 36 54.475 54.475 53.752 0.723 19687 2831 1 5 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.537 0.378 19687 2832 1 5 . 1 1 36 36 ALA H H 36 8.126 8.126 8.378 -0.252 19687 2833 1 5 . 1 1 37 37 LEU N N 37 115.927 115.927 112.944 2.983 19687 2834 1 5 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.372 -0.452 19687 2835 1 5 . 1 1 37 37 LEU CA C 37 55.427 55.427 53.123 2.304 19687 2836 1 5 . 1 1 37 37 LEU CB C 37 38.577 38.577 40.907 -2.330 19687 2837 1 5 . 1 1 37 37 LEU H H 37 7.576 7.576 7.100 0.476 19687 2838 1 5 . 1 1 38 38 GLY N N 38 127.283 127.283 107.675 19.608 19687 2839 1 5 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.106 1.293 19687 2840 1 5 . 1 1 38 38 GLY H H 38 7.341 7.341 7.446 -0.105 19687 2841 1 5 . 1 1 39 39 ASP N N 39 122.925 122.925 122.559 0.366 19687 2842 1 5 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.749 -0.190 19687 2843 1 5 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.246 0.487 19687 2844 1 5 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.592 -1.504 19687 2845 1 5 . 1 1 39 39 ASP H H 39 9.095 9.095 8.268 0.827 19687 2846 1 5 . 1 1 40 40 ASN N N 40 122.444 122.444 120.133 2.311 19687 2847 1 5 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.525 -0.200 19687 2848 1 5 . 1 1 40 40 ASN CA C 40 56.339 56.339 55.360 0.979 19687 2849 1 5 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.516 -0.079 19687 2850 1 5 . 1 1 40 40 ASN H H 40 9.267 9.267 8.653 0.614 19687 2851 1 5 . 1 1 41 41 ASN N N 41 119.328 119.328 119.723 -0.395 19687 2852 1 5 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.330 0.104 19687 2853 1 5 . 1 1 41 41 ASN CA C 41 55.053 55.053 54.879 0.174 19687 2854 1 5 . 1 1 41 41 ASN CB C 41 37.768 37.768 38.358 -0.591 19687 2855 1 5 . 1 1 41 41 ASN H H 41 8.661 8.661 9.160 -0.499 19687 2856 1 5 . 1 1 42 42 LYS N N 42 119.592 119.592 116.617 2.975 19687 2857 1 5 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.250 0.336 19687 2858 1 5 . 1 1 42 42 LYS CA C 42 54.984 54.984 56.054 -1.070 19687 2859 1 5 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.934 -0.112 19687 2860 1 5 . 1 1 42 42 LYS H H 42 8.195 8.195 7.830 0.365 19687 2861 1 5 . 1 1 43 43 TYR N N 43 123.577 123.577 121.960 1.617 19687 2862 1 5 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.408 -0.633 19687 2863 1 5 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.274 1.099 19687 2864 1 5 . 1 1 43 43 TYR CB C 43 40.262 40.262 40.095 0.167 19687 2865 1 5 . 1 1 43 43 TYR H H 43 8.661 8.661 8.920 -0.259 19687 2866 1 5 . 1 1 44 44 ILE N N 44 124.735 124.735 128.137 -3.402 19687 2867 1 5 . 1 1 44 44 ILE HA H 44 4.559 4.559 3.987 0.572 19687 2868 1 5 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.669 1.544 19687 2869 1 5 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.049 4.143 19687 2870 1 5 . 1 1 44 44 ILE H H 44 7.239 7.239 8.085 -0.846 19687 2871 1 5 . 1 1 45 45 ILE N N 45 126.245 126.245 128.359 -2.114 19687 2872 1 5 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.062 -0.188 19687 2873 1 5 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.906 -0.354 19687 2874 1 5 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.451 1.069 19687 2875 1 5 . 1 1 45 45 ILE H H 45 8.984 8.984 8.956 0.028 19687 2876 1 5 . 1 1 46 46 GLN N N 46 122.581 122.581 123.265 -0.684 19687 2877 1 5 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.672 -0.473 19687 2878 1 5 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.909 1.298 19687 2879 1 5 . 1 1 46 46 GLN CB C 46 30.136 30.136 33.142 -3.006 19687 2880 1 5 . 1 1 46 46 GLN H H 46 8.356 8.356 8.313 0.043 19687 2881 1 5 . 1 1 47 47 ASN N N 47 116.902 116.902 117.074 -0.172 19687 2882 1 5 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.186 0.022 19687 2883 1 5 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.271 -0.851 19687 2884 1 5 . 1 1 47 47 ASN CB C 47 37.945 37.945 37.258 0.687 19687 2885 1 5 . 1 1 47 47 ASN H H 47 9.115 9.115 8.835 0.280 19687 2886 1 5 . 1 1 48 48 HIS N N 48 117.711 117.711 119.658 -1.947 19687 2887 1 5 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.263 0.089 19687 2888 1 5 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.431 0.242 19687 2889 1 5 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.695 1.353 19687 2890 1 5 . 1 1 48 48 HIS H H 48 8.727 8.727 8.230 0.497 19687 2891 1 5 . 1 1 49 49 ASP N N 49 124.049 124.049 120.303 3.746 19687 2892 1 5 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.660 -0.461 19687 2893 1 5 . 1 1 49 49 ASP CA C 49 53.810 53.810 52.885 0.925 19687 2894 1 5 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.357 -2.125 19687 2895 1 5 . 1 1 49 49 ASP H H 49 7.339 7.339 7.553 -0.214 19687 2896 1 5 . 1 1 50 50 SER N N 50 100.425 100.425 118.280 -17.855 19687 2897 1 5 . 1 1 50 50 SER HA H 50 4.100 4.100 4.363 -0.263 19687 2898 1 5 . 1 1 50 50 SER CA C 50 54.542 54.542 59.252 -4.710 19687 2899 1 5 . 1 1 50 50 SER CB C 50 61.489 61.489 62.374 -0.886 19687 2900 1 5 . 1 1 50 50 SER H H 50 5.420 5.420 8.567 -3.147 19687 2901 1 5 . 1 1 51 51 SER N N 51 115.785 115.785 120.200 -4.415 19687 2902 1 5 . 1 1 51 51 SER HA H 51 4.619 4.619 4.726 -0.107 19687 2903 1 5 . 1 1 51 51 SER CA C 51 57.320 57.320 56.952 0.368 19687 2904 1 5 . 1 1 51 51 SER CB C 51 63.171 63.171 64.551 -1.380 19687 2905 1 5 . 1 1 51 51 SER H H 51 7.543 7.543 8.016 -0.473 19687 2906 1 5 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.800 -0.357 19687 2907 1 5 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.812 1.929 19687 2908 1 5 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.616 0.205 19687 2909 1 5 . 1 1 53 53 LEU N N 53 120.506 120.506 112.061 8.445 19687 2910 1 5 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.339 0.186 19687 2911 1 5 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.755 -0.055 19687 2912 1 5 . 1 1 53 53 LEU CB C 53 46.300 46.300 44.088 2.212 19687 2913 1 5 . 1 1 53 53 LEU H H 53 8.243 8.243 7.274 0.969 19687 2914 1 5 . 1 1 54 54 THR N N 54 116.375 116.375 118.555 -2.180 19687 2915 1 5 . 1 1 54 54 THR HA H 54 5.307 5.307 4.519 0.788 19687 2916 1 5 . 1 1 54 54 THR CA C 54 61.956 61.956 63.623 -1.667 19687 2917 1 5 . 1 1 54 54 THR CB C 54 70.170 70.170 69.041 1.129 19687 2918 1 5 . 1 1 54 54 THR H H 54 7.839 7.839 8.374 -0.535 19687 2919 1 5 . 1 1 55 55 VAL N N 55 123.311 123.311 128.123 -4.812 19687 2920 1 5 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.246 0.520 19687 2921 1 5 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.514 -0.837 19687 2922 1 5 . 1 1 55 55 VAL CB C 55 35.987 35.987 33.951 2.036 19687 2923 1 5 . 1 1 55 55 VAL H H 55 8.941 8.941 8.981 -0.040 19687 2924 1 5 . 1 1 56 56 SER N N 56 115.664 115.664 123.684 -8.020 19687 2925 1 5 . 1 1 56 56 SER HA H 56 5.811 5.811 5.452 0.359 19687 2926 1 5 . 1 1 56 56 SER CA C 56 56.606 56.606 56.975 -0.369 19687 2927 1 5 . 1 1 56 56 SER CB C 56 67.712 67.712 65.141 2.571 19687 2928 1 5 . 1 1 56 56 SER H H 56 8.748 8.748 8.423 0.325 19687 2929 1 5 . 1 1 57 57 CYS N N 57 113.093 113.093 121.057 -7.964 19687 2930 1 5 . 1 1 57 57 CYS HA H 57 4.956 4.956 5.462 -0.506 19687 2931 1 5 . 1 1 57 57 CYS CA C 57 53.136 53.136 55.539 -2.403 19687 2932 1 5 . 1 1 57 57 CYS CB C 57 48.859 48.859 31.453 17.406 19687 2933 1 5 . 1 1 57 57 CYS H H 57 8.766 8.766 9.259 -0.493 19687 2934 1 5 . 1 1 58 58 THR N N 58 115.221 115.221 118.081 -2.860 19687 2935 1 5 . 1 1 58 58 THR HA H 58 4.829 4.829 4.818 0.011 19687 2936 1 5 . 1 1 58 58 THR CA C 58 61.394 61.394 62.174 -0.780 19687 2937 1 5 . 1 1 58 58 THR CB C 58 70.872 70.872 70.902 -0.030 19687 2938 1 5 . 1 1 58 58 THR H H 58 8.440 8.440 8.060 0.380 19687 2939 1 5 . 1 1 59 59 ALA N N 59 128.540 128.540 129.720 -1.180 19687 2940 1 5 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.708 -0.266 19687 2941 1 5 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.598 0.063 19687 2942 1 5 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.166 2.064 19687 2943 1 5 . 1 1 59 59 ALA H H 59 8.489 8.489 8.253 0.236 19687 2944 1 5 . 1 1 60 60 GLY N N 60 114.199 114.199 113.450 0.749 19687 2945 1 5 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.081 0.587 19687 2946 1 5 . 1 1 60 60 GLY H H 60 9.072 9.072 8.806 0.266 19687 2947 1 5 . 1 1 61 61 ASP N N 61 122.847 122.847 125.197 -2.350 19687 2948 1 5 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.864 -0.512 19687 2949 1 5 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.639 0.966 19687 2950 1 5 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.057 0.221 19687 2951 1 5 . 1 1 61 61 ASP H H 61 8.553 8.553 8.466 0.087 19687 2952 1 5 . 1 1 62 62 GLN N N 62 117.800 117.800 118.959 -1.159 19687 2953 1 5 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.503 -0.313 19687 2954 1 5 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.509 0.848 19687 2955 1 5 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.123 -0.847 19687 2956 1 5 . 1 1 62 62 GLN H H 62 7.703 7.703 7.576 0.127 19687 2957 1 5 . 1 1 63 63 GLU N N 63 123.165 123.165 121.757 1.408 19687 2958 1 5 . 1 1 63 63 GLU HA H 63 4.640 4.640 4.802 -0.162 19687 2959 1 5 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.321 0.144 19687 2960 1 5 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.565 1.038 19687 2961 1 5 . 1 1 63 63 GLU H H 63 8.143 8.143 8.607 -0.464 19687 2962 1 5 . 1 1 64 64 HIS N N 64 125.182 125.182 124.937 0.245 19687 2963 1 5 . 1 1 64 64 HIS HA H 64 4.764 4.764 5.061 -0.297 19687 2964 1 5 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.243 0.034 19687 2965 1 5 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.743 -0.643 19687 2966 1 5 . 1 1 64 64 HIS H H 64 8.925 8.925 8.672 0.253 19687 2967 1 5 . 1 1 65 65 THR N N 65 120.044 120.044 114.470 5.574 19687 2968 1 5 . 1 1 65 65 THR HA H 65 4.996 4.996 5.638 -0.642 19687 2969 1 5 . 1 1 65 65 THR CA C 65 63.303 63.303 60.834 2.469 19687 2970 1 5 . 1 1 65 65 THR CB C 65 71.145 71.145 71.978 -0.833 19687 2971 1 5 . 1 1 65 65 THR H H 65 9.376 9.376 9.281 0.095 19687 2972 1 5 . 1 1 66 66 MET N N 66 126.414 126.414 121.225 5.189 19687 2973 1 5 . 1 1 66 66 MET HA H 66 5.512 5.512 5.156 0.356 19687 2974 1 5 . 1 1 66 66 MET CA C 66 52.610 52.610 55.395 -2.785 19687 2975 1 5 . 1 1 66 66 MET CB C 66 36.065 36.065 37.527 -1.462 19687 2976 1 5 . 1 1 66 66 MET H H 66 9.422 9.422 9.148 0.274 19687 2977 1 5 . 1 1 67 67 TYR N N 67 124.879 124.879 123.531 1.348 19687 2978 1 5 . 1 1 67 67 TYR HA H 67 4.807 4.807 5.139 -0.333 19687 2979 1 5 . 1 1 67 67 TYR CA C 67 57.601 57.601 57.259 0.342 19687 2980 1 5 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.458 1.242 19687 2981 1 5 . 1 1 67 67 TYR H H 67 9.023 9.023 8.272 0.751 19687 2982 1 5 . 1 1 68 68 LEU N N 68 127.991 127.991 129.263 -1.272 19687 2983 1 5 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.519 0.264 19687 2984 1 5 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.976 -1.181 19687 2985 1 5 . 1 1 68 68 LEU CB C 68 44.966 44.966 42.610 2.356 19687 2986 1 5 . 1 1 68 68 LEU H H 68 8.714 8.714 8.580 0.134 19687 2987 1 5 . 1 1 69 69 ASN N N 69 125.992 125.992 124.042 1.950 19687 2988 1 5 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.405 -0.947 19687 2989 1 5 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.335 -0.028 19687 2990 1 5 . 1 1 69 69 ASN CB C 69 37.896 37.896 39.298 -1.402 19687 2991 1 5 . 1 1 69 69 ASN H H 69 8.369 8.369 8.033 0.336 19687 2992 1 5 . 1 1 70 70 ALA N N 70 122.336 122.336 124.822 -2.486 19687 2993 1 5 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.579 0.133 19687 2994 1 5 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.917 -1.796 19687 2995 1 5 . 1 1 70 70 ALA CB C 70 21.166 21.166 21.707 -0.541 19687 2996 1 5 . 1 1 70 70 ALA H H 70 8.581 8.581 8.356 0.225 19687 2997 1 5 . 1 1 71 71 LYS N N 71 120.661 120.661 119.963 0.698 19687 2998 1 5 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.646 -0.339 19687 2999 1 5 . 1 1 71 71 LYS CA C 71 54.956 54.956 54.999 -0.043 19687 3000 1 5 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.251 -1.384 19687 3001 1 5 . 1 1 71 71 LYS H H 71 8.558 8.558 8.332 0.226 19687 3002 1 5 . 1 1 72 72 VAL N N 72 114.526 114.526 117.537 -3.011 19687 3003 1 5 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.332 0.047 19687 3004 1 5 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.581 -1.818 19687 3005 1 5 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.713 1.512 19687 3006 1 5 . 1 1 72 72 VAL H H 72 8.384 8.384 8.247 0.137 19687 3007 1 5 . 1 1 73 73 GLY N N 73 107.198 107.198 115.444 -8.246 19687 3008 1 5 . 1 1 73 73 GLY CA C 73 45.354 45.354 44.910 0.444 19687 3009 1 5 . 1 1 73 73 GLY H H 73 8.036 8.036 7.983 0.053 19687 3010 1 5 . 1 1 74 74 SER N N 74 113.743 113.743 118.415 -4.672 19687 3011 1 5 . 1 1 74 74 SER CA C 74 58.043 58.043 57.254 0.789 19687 3012 1 5 . 1 1 74 74 SER CB C 74 64.622 64.622 62.944 1.679 19687 3013 1 5 . 1 1 74 74 SER H H 74 8.292 8.292 8.409 -0.117 19687 3014 1 5 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.458 -0.313 19687 3015 1 5 . 1 1 75 75 ALA CA C 75 53.630 53.630 53.390 0.240 19687 3016 1 5 . 1 1 75 75 ALA CB C 75 19.565 19.565 19.186 0.379 19687 3017 1 5 . 1 1 76 76 ASP N N 76 117.216 117.216 119.447 -2.231 19687 3018 1 5 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.695 -0.295 19687 3019 1 5 . 1 1 76 76 ASP CA C 76 55.110 55.110 55.001 0.110 19687 3020 1 5 . 1 1 76 76 ASP CB C 76 41.466 41.466 41.372 0.094 19687 3021 1 5 . 1 1 76 76 ASP H H 76 8.189 8.189 8.602 -0.413 19687 3022 1 5 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.673 -0.572 19687 3023 1 5 . 1 1 77 77 ASP CA C 77 53.040 53.040 54.419 -1.379 19687 3024 1 5 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.373 -0.300 19687 3025 1 5 . 1 1 82 82 ALA CA C 82 53.462 53.462 52.385 1.077 19687 3026 1 5 . 1 1 82 82 ALA CB C 82 19.492 19.492 18.820 0.672 19687 3027 1 5 . 1 1 83 83 ALA N N 83 120.555 120.555 125.476 -4.921 19687 3028 1 5 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.527 0.395 19687 3029 1 5 . 1 1 83 83 ALA CA C 83 53.158 53.158 52.357 0.801 19687 3030 1 5 . 1 1 83 83 ALA H H 83 8.048 8.048 8.337 -0.289 19687 3031 1 5 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.383 -0.282 19687 3032 1 5 . 1 1 96 96 ASP CA C 96 56.270 56.270 55.136 1.134 19687 3033 1 5 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.689 0.680 19687 3034 1 5 . 1 1 97 97 GLY N N 97 106.760 106.760 107.884 -1.124 19687 3035 1 5 . 1 1 97 97 GLY CA C 97 45.934 45.934 45.031 0.903 19687 3036 1 5 . 1 1 97 97 GLY H H 97 8.313 8.313 8.209 0.104 19687 3037 1 5 . 1 1 98 98 SER N N 98 114.252 114.252 117.568 -3.316 19687 3038 1 5 . 1 1 98 98 SER HA H 98 4.281 4.281 4.606 -0.325 19687 3039 1 5 . 1 1 98 98 SER CA C 98 59.061 59.061 58.427 0.634 19687 3040 1 5 . 1 1 98 98 SER CB C 98 64.152 64.152 63.130 1.022 19687 3041 1 5 . 1 1 98 98 SER H H 98 8.179 8.179 8.261 -0.082 19687 3042 1 5 . 1 1 99 99 VAL N N 99 119.765 119.765 124.623 -4.858 19687 3043 1 5 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.300 -0.307 19687 3044 1 5 . 1 1 99 99 VAL CA C 99 62.728 62.728 62.274 0.454 19687 3045 1 5 . 1 1 99 99 VAL CB C 99 32.891 32.891 32.016 0.875 19687 3046 1 5 . 1 1 99 99 VAL H H 99 7.978 7.978 8.437 -0.459 19687 3047 1 5 . 1 1 100 100 ALA N N 100 126.348 126.348 125.684 0.664 19687 3048 1 5 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.087 0.032 19687 3049 1 5 . 1 1 100 100 ALA CA C 100 52.933 52.933 53.136 -0.203 19687 3050 1 5 . 1 1 100 100 ALA CB C 100 20.172 20.172 18.898 1.274 19687 3051 1 5 . 1 1 100 100 ALA H H 100 8.244 8.244 7.977 0.267 19687 3052 1 5 . 1 1 101 101 LYS N N 101 118.495 118.495 118.530 -0.035 19687 3053 1 5 . 1 1 101 101 LYS HA H 101 4.227 4.227 3.981 0.246 19687 3054 1 5 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.605 -0.326 19687 3055 1 5 . 1 1 101 101 LYS CB C 101 33.917 33.917 31.651 2.266 19687 3056 1 5 . 1 1 101 101 LYS H H 101 8.105 8.105 8.497 -0.392 19687 3057 1 5 . 1 1 102 102 LEU N N 102 123.225 123.225 119.017 4.208 19687 3058 1 5 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.140 0.100 19687 3059 1 5 . 1 1 102 102 LEU CA C 102 55.200 55.200 55.560 -0.360 19687 3060 1 5 . 1 1 102 102 LEU CB C 102 43.033 43.033 42.656 0.378 19687 3061 1 5 . 1 1 102 102 LEU H H 102 8.308 8.308 7.705 0.603 19687 3062 1 5 . 1 1 103 103 GLY N N 103 108.552 108.552 105.164 3.388 19687 3063 1 5 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.791 -0.504 19687 3064 1 5 . 1 1 103 103 GLY H H 103 8.286 8.286 8.473 -0.187 19687 3065 1 5 . 1 1 104 104 VAL N N 104 118.898 118.898 116.394 2.504 19687 3066 1 5 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.240 0.146 19687 3067 1 5 . 1 1 104 104 VAL CA C 104 62.978 62.978 62.676 0.302 19687 3068 1 5 . 1 1 104 104 VAL CB C 104 32.901 32.901 32.970 -0.069 19687 3069 1 5 . 1 1 104 104 VAL H H 104 7.845 7.845 7.820 0.025 19687 3070 1 5 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.863 -0.166 19687 3071 1 5 . 1 1 105 105 HIS CA C 105 55.848 55.848 56.197 -0.349 19687 3072 1 5 . 1 1 105 105 HIS CB C 105 32.961 32.961 30.147 2.814 19687 3073 1 5 . 1 1 106 106 GLY N N 106 108.707 108.707 108.268 0.439 19687 3074 1 5 . 1 1 106 106 GLY CA C 106 45.687 45.687 45.206 0.481 19687 3075 1 5 . 1 1 106 106 GLY H H 106 8.318 8.318 8.042 0.276 19687 3076 1 5 . 1 1 107 107 LEU N N 107 121.670 121.670 120.718 0.952 19687 3077 1 5 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.779 -0.377 19687 3078 1 5 . 1 1 107 107 LEU CA C 107 55.497 55.497 55.540 -0.043 19687 3079 1 5 . 1 1 107 107 LEU CB C 107 43.632 43.632 44.478 -0.846 19687 3080 1 5 . 1 1 107 107 LEU H H 107 8.191 8.191 8.295 -0.104 19687 3081 1 5 . 1 1 108 108 SER N N 108 118.838 118.838 118.571 0.267 19687 3082 1 5 . 1 1 108 108 SER HA H 108 4.704 4.704 4.864 -0.160 19687 3083 1 5 . 1 1 108 108 SER CA C 108 57.430 57.430 58.090 -0.659 19687 3084 1 5 . 1 1 108 108 SER CB C 108 65.954 65.954 64.951 1.004 19687 3085 1 5 . 1 1 108 108 SER H H 108 8.523 8.523 8.441 0.082 19687 3086 1 5 . 1 1 109 109 MET N N 109 123.671 123.671 121.282 2.389 19687 3087 1 5 . 1 1 109 109 MET HA H 109 5.118 5.118 4.766 0.352 19687 3088 1 5 . 1 1 109 109 MET CA C 109 55.146 55.146 55.190 -0.044 19687 3089 1 5 . 1 1 109 109 MET CB C 109 35.799 35.799 35.962 -0.163 19687 3090 1 5 . 1 1 109 109 MET H H 109 8.351 8.351 8.514 -0.163 19687 3091 1 5 . 1 1 110 110 SER N N 110 118.211 118.211 115.078 3.133 19687 3092 1 5 . 1 1 110 110 SER HA H 110 4.668 4.668 5.269 -0.601 19687 3093 1 5 . 1 1 110 110 SER CA C 110 57.103 57.103 57.186 -0.083 19687 3094 1 5 . 1 1 110 110 SER CB C 110 66.659 66.659 67.903 -1.244 19687 3095 1 5 . 1 1 110 110 SER H H 110 9.061 9.061 8.199 0.862 19687 3096 1 5 . 1 1 111 111 VAL N N 111 119.042 119.042 116.893 2.149 19687 3097 1 5 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.622 -0.332 19687 3098 1 5 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.733 1.433 19687 3099 1 5 . 1 1 111 111 VAL CB C 111 33.733 33.733 34.527 -0.794 19687 3100 1 5 . 1 1 111 111 VAL H H 111 7.923 7.923 8.558 -0.635 19687 3101 1 5 . 1 1 112 112 LYS N N 112 126.477 126.477 123.729 2.748 19687 3102 1 5 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.664 -0.158 19687 3103 1 5 . 1 1 112 112 LYS CA C 112 54.832 54.832 55.032 -0.200 19687 3104 1 5 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.474 0.481 19687 3105 1 5 . 1 1 112 112 LYS H H 112 9.181 9.181 8.839 0.342 19687 3106 1 5 . 1 1 113 113 GLU N N 113 121.962 121.962 123.168 -1.206 19687 3107 1 5 . 1 1 113 113 GLU HA H 113 5.236 5.236 5.041 0.195 19687 3108 1 5 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.615 -0.821 19687 3109 1 5 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.046 -0.332 19687 3110 1 5 . 1 1 113 113 GLU H H 113 8.410 8.410 8.675 -0.265 19687 3111 1 5 . 1 1 114 114 VAL N N 114 122.453 122.453 123.939 -1.486 19687 3112 1 5 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.568 -0.408 19687 3113 1 5 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.890 1.756 19687 3114 1 5 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.098 1.466 19687 3115 1 5 . 1 1 114 114 VAL H H 114 8.744 8.744 8.332 0.412 19687 3116 1 5 . 1 1 115 115 SER HA H 115 3.884 3.884 4.172 -0.288 19687 3117 1 5 . 1 1 115 115 SER CA C 115 58.726 58.726 59.941 -1.214 19687 3118 1 5 . 1 1 115 115 SER CB C 115 62.588 62.588 62.662 -0.074 19687 3119 1 5 . 1 1 116 116 GLY N N 116 126.353 126.353 112.679 13.674 19687 3120 1 5 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.947 -0.181 19687 3121 1 5 . 1 1 116 116 GLY H H 116 8.744 8.744 8.159 0.585 19687 3122 1 5 . 1 1 117 117 LYS N N 117 120.735 120.735 118.955 1.780 19687 3123 1 5 . 1 1 117 117 LYS HA H 117 4.600 4.600 5.148 -0.548 19687 3124 1 5 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.462 0.811 19687 3125 1 5 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.646 -0.313 19687 3126 1 5 . 1 1 117 117 LYS H H 117 7.934 7.934 8.326 -0.392 19687 3127 1 5 . 1 1 118 118 VAL N N 118 117.642 117.642 117.468 0.174 19687 3128 1 5 . 1 1 118 118 VAL HA H 118 4.157 4.157 5.040 -0.883 19687 3129 1 5 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.833 0.912 19687 3130 1 5 . 1 1 118 118 VAL CB C 118 33.627 33.627 32.895 0.731 19687 3131 1 5 . 1 1 118 118 VAL H H 118 7.619 7.619 7.926 -0.307 19687 3132 1 5 . 1 1 119 119 PHE N N 119 121.052 121.052 125.337 -4.285 19687 3133 1 5 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.357 -0.144 19687 3134 1 5 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.964 -0.496 19687 3135 1 5 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.455 1.532 19687 3136 1 5 . 1 1 119 119 PHE H H 119 8.860 8.860 8.962 -0.102 19687 3137 1 5 . 1 1 120 120 LEU N N 120 117.758 117.758 119.180 -1.422 19687 3138 1 5 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.815 0.287 19687 3139 1 5 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.045 -1.052 19687 3140 1 5 . 1 1 120 120 LEU CB C 120 44.439 44.439 47.154 -2.715 19687 3141 1 5 . 1 1 120 120 LEU H H 120 8.576 8.576 9.208 -0.632 19687 3142 1 5 . 1 1 121 121 GLN N N 121 116.064 116.064 118.086 -2.022 19687 3143 1 5 . 1 1 121 121 GLN HA H 121 4.289 4.289 4.712 -0.423 19687 3144 1 5 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.489 0.491 19687 3145 1 5 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.399 0.643 19687 3146 1 5 . 1 1 121 121 GLN H H 121 8.481 8.481 8.289 0.192 19687 3147 1 5 . 1 1 122 122 CYS N N 122 120.052 120.052 122.761 -2.709 19687 3148 1 5 . 1 1 122 122 CYS HA H 122 5.240 5.240 5.025 0.215 19687 3149 1 5 . 1 1 122 122 CYS CA C 122 54.865 54.865 56.526 -1.661 19687 3150 1 5 . 1 1 122 122 CYS CB C 122 44.500 44.500 30.788 13.712 19687 3151 1 5 . 1 1 122 122 CYS H H 122 9.203 9.203 8.242 0.961 19687 3152 1 5 . 1 1 123 123 GLN N N 123 115.174 115.174 120.593 -5.419 19687 3153 1 5 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.526 -0.105 19687 3154 1 5 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.258 0.424 19687 3155 1 5 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.492 3.121 19687 3156 1 5 . 1 1 123 123 GLN H H 123 8.106 8.106 8.619 -0.513 19687 3157 1 5 . 1 1 124 124 GLU N N 124 120.534 120.534 123.872 -3.338 19687 3158 1 5 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.324 -0.176 19687 3159 1 5 . 1 1 124 124 GLU CA C 124 55.960 55.960 56.017 -0.058 19687 3160 1 5 . 1 1 124 124 GLU CB C 124 32.752 32.752 30.432 2.320 19687 3161 1 5 . 1 1 124 124 GLU H H 124 8.578 8.578 8.788 -0.210 19687 3162 1 5 . 1 1 132 132 TYR N N 132 122.981 122.981 119.334 3.647 19687 3163 1 5 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.676 -0.284 19687 3164 1 5 . 1 1 132 132 TYR CA C 132 55.015 55.015 56.655 -1.640 19687 3165 1 5 . 1 1 132 132 TYR H H 132 8.286 8.286 8.372 -0.086 19687 3166 1 5 . 1 1 133 133 LEU N N 133 122.894 122.894 124.120 -1.226 19687 3167 1 5 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.542 0.066 19687 3168 1 5 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.456 0.699 19687 3169 1 5 . 1 1 133 133 LEU CB C 133 43.071 43.071 41.713 1.358 19687 3170 1 5 . 1 1 133 133 LEU H H 133 8.102 8.102 8.654 -0.552 19687 3171 1 5 . 1 1 134 134 TRP N N 134 125.713 125.713 128.236 -2.523 19687 3172 1 5 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.175 0.343 19687 3173 1 5 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.033 0.373 19687 3174 1 5 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.461 -0.132 19687 3175 1 5 . 1 1 134 134 TRP H H 134 8.763 8.763 8.524 0.239 19687 3176 1 5 . 1 1 135 135 LYS N N 135 118.492 118.492 129.121 -10.629 19687 3177 1 5 . 1 1 135 135 LYS HA H 135 5.229 5.229 5.080 0.149 19687 3178 1 5 . 1 1 135 135 LYS CA C 135 55.041 55.041 54.014 1.027 19687 3179 1 5 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.564 1.452 19687 3180 1 5 . 1 1 135 135 LYS H H 135 9.321 9.321 8.969 0.352 19687 3181 1 5 . 1 1 136 136 LYS N N 136 121.232 121.232 127.254 -6.022 19687 3182 1 5 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.568 0.123 19687 3183 1 5 . 1 1 136 136 LYS CA C 136 55.145 55.145 55.681 -0.536 19687 3184 1 5 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.500 0.515 19687 3185 1 5 . 1 1 136 136 LYS H H 136 8.509 8.509 7.740 0.769 19687 3186 1 5 . 1 1 137 137 GLY N N 137 116.933 116.933 113.099 3.834 19687 3187 1 5 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.195 0.274 19687 3188 1 5 . 1 1 137 137 GLY H H 137 8.641 8.641 8.772 -0.131 19687 3189 1 5 . 1 1 138 138 LYS N N 138 124.712 124.712 117.164 7.548 19687 3190 1 5 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.369 0.057 19687 3191 1 5 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.083 1.091 19687 3192 1 5 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.579 -0.492 19687 3193 1 5 . 1 1 138 138 LYS H H 138 8.963 8.963 8.113 0.850 19687 3194 1 5 . 1 1 139 139 GLU N N 139 120.229 120.229 118.517 1.712 19687 3195 1 5 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.426 -0.253 19687 3196 1 5 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.405 1.859 19687 3197 1 5 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.107 0.099 19687 3198 1 5 . 1 1 139 139 GLU H H 139 8.011 8.011 7.523 0.488 19687 3199 1 5 . 1 1 140 140 GLU N N 140 123.311 123.311 124.836 -1.525 19687 3200 1 5 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.945 0.273 19687 3201 1 5 . 1 1 140 140 GLU CA C 140 57.686 57.686 58.271 -0.585 19687 3202 1 5 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.035 0.469 19687 3203 1 5 . 1 1 140 140 GLU H H 140 8.811 8.811 8.630 0.181 19687 3204 1 5 . 1 1 141 141 LEU N N 141 121.782 121.782 117.463 4.319 19687 3205 1 5 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.812 -0.360 19687 3206 1 5 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.156 2.060 19687 3207 1 5 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.789 -0.578 19687 3208 1 5 . 1 1 141 141 LEU H H 141 9.291 9.291 7.845 1.446 19687 3209 1 5 . 1 1 142 142 GLY N N 142 125.924 125.924 106.420 19.504 19687 3210 1 5 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.807 -0.236 19687 3211 1 5 . 1 1 142 142 GLY H H 142 7.060 7.060 8.359 -1.299 19687 3212 1 5 . 1 1 143 143 ASN N N 143 117.181 117.181 118.540 -1.359 19687 3213 1 5 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.880 1.022 19687 3214 1 5 . 1 1 143 143 ASN CA C 143 52.908 52.908 53.880 -0.972 19687 3215 1 5 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.795 1.538 19687 3216 1 5 . 1 1 143 143 ASN H H 143 8.472 8.472 8.232 0.240 19687 3217 1 5 . 1 1 144 144 MET N N 144 117.970 117.970 117.037 0.933 19687 3218 1 5 . 1 1 144 144 MET HA H 144 4.747 4.747 4.849 -0.102 19687 3219 1 5 . 1 1 144 144 MET CA C 144 56.085 56.085 54.371 1.714 19687 3220 1 5 . 1 1 144 144 MET CB C 144 36.425 36.425 35.981 0.444 19687 3221 1 5 . 1 1 144 144 MET H H 144 9.270 9.270 8.065 1.205 19687 3222 1 5 . 1 1 145 145 ARG N N 145 125.032 125.032 120.726 4.306 19687 3223 1 5 . 1 1 145 145 ARG HA H 145 4.275 4.275 3.893 0.382 19687 3224 1 5 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.037 0.844 19687 3225 1 5 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.029 1.278 19687 3226 1 5 . 1 1 145 145 ARG H H 145 9.085 9.085 8.713 0.372 19687 3227 1 5 . 1 1 146 146 GLN N N 146 112.668 112.668 115.325 -2.657 19687 3228 1 5 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.020 0.884 19687 3229 1 5 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.458 -0.103 19687 3230 1 5 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.656 0.277 19687 3231 1 5 . 1 1 146 146 GLN H H 146 7.599 7.599 7.585 0.014 19687 3232 1 5 . 1 1 147 147 LEU N N 147 122.152 122.152 126.070 -3.918 19687 3233 1 5 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.251 -0.228 19687 3234 1 5 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.312 -2.091 19687 3235 1 5 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.519 1.183 19687 3236 1 5 . 1 1 147 147 LEU H H 147 8.130 8.130 8.444 -0.314 19687 3237 1 5 . 1 1 148 148 ASP N N 148 124.520 124.520 127.351 -2.831 19687 3238 1 5 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.642 -0.721 19687 3239 1 5 . 1 1 148 148 ASP CA C 148 53.321 53.321 53.048 0.273 19687 3240 1 5 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.203 0.253 19687 3241 1 5 . 1 1 148 148 ASP H H 148 8.008 8.008 8.289 -0.281 19687 3242 1 5 . 1 1 149 149 LEU N N 149 124.941 124.941 123.046 1.895 19687 3243 1 5 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.611 -0.698 19687 3244 1 5 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.177 1.011 19687 3245 1 5 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.654 1.644 19687 3246 1 5 . 1 1 149 149 LEU H H 149 8.790 8.790 8.247 0.543 19687 3247 1 5 . 1 1 150 150 GLY N N 150 108.901 108.901 105.989 2.912 19687 3248 1 5 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.472 -0.942 19687 3249 1 5 . 1 1 150 150 GLY H H 150 8.744 8.744 7.084 1.660 19687 3250 1 5 . 1 1 151 151 ALA N N 151 118.338 118.338 120.225 -1.887 19687 3251 1 5 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.570 -0.336 19687 3252 1 5 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.172 3.199 19687 3253 1 5 . 1 1 151 151 ALA CB C 151 19.150 19.150 21.892 -2.742 19687 3254 1 5 . 1 1 151 151 ALA H H 151 8.167 8.167 7.546 0.621 19687 3255 1 5 . 1 1 152 152 ILE N N 152 121.825 121.825 120.739 1.086 19687 3256 1 5 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.479 -0.569 19687 3257 1 5 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.585 0.980 19687 3258 1 5 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.520 1.068 19687 3259 1 5 . 1 1 152 152 ILE H H 152 8.269 8.269 8.083 0.186 19687 3260 1 5 . 1 1 153 153 TYR N N 153 109.544 109.544 116.851 -7.307 19687 3261 1 5 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.305 -0.186 19687 3262 1 5 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.681 0.917 19687 3263 1 5 . 1 1 153 153 TYR CB C 153 37.358 37.358 37.994 -0.636 19687 3264 1 5 . 1 1 153 153 TYR H H 153 6.757 6.757 7.652 -0.895 19687 3265 1 5 . 1 1 154 154 ASP N N 154 117.255 117.255 119.224 -1.969 19687 3266 1 5 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.479 0.225 19687 3267 1 5 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.739 3.158 19687 3268 1 5 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.917 0.816 19687 3269 1 5 . 1 1 154 154 ASP H H 154 7.092 7.092 7.187 -0.095 19687 3270 1 5 . 1 1 155 155 ASP N N 155 115.759 115.759 119.947 -4.188 19687 3271 1 5 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.262 -0.029 19687 3272 1 5 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.674 1.826 19687 3273 1 5 . 1 1 155 155 ASP CB C 155 39.467 39.467 39.374 0.092 19687 3274 1 5 . 1 1 155 155 ASP H H 155 7.855 7.855 7.483 0.372 19687 3275 1 5 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.299 -0.148 19687 3276 1 5 . 1 1 156 156 PRO CA C 156 64.485 64.485 64.232 0.253 19687 3277 1 5 . 1 1 156 156 PRO CB C 156 31.692 31.692 31.941 -0.249 19687 3278 1 5 . 1 1 157 157 ARG N N 157 115.980 115.980 113.728 2.252 19687 3279 1 5 . 1 1 157 157 ARG HA H 157 5.141 5.141 3.927 1.214 19687 3280 1 5 . 1 1 157 157 ARG CA C 157 54.793 54.793 56.731 -1.938 19687 3281 1 5 . 1 1 157 157 ARG CB C 157 34.607 34.607 28.248 6.359 19687 3282 1 5 . 1 1 157 157 ARG H H 157 7.888 7.888 8.197 -0.309 19687 3283 1 5 . 1 1 158 158 GLY N N 158 106.901 106.901 104.676 2.225 19687 3284 1 5 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.137 1.474 19687 3285 1 5 . 1 1 158 158 GLY H H 158 8.344 8.344 7.362 0.982 19687 3286 1 5 . 1 1 159 159 THR N N 159 116.699 116.699 119.084 -2.385 19687 3287 1 5 . 1 1 159 159 THR CA C 159 63.319 63.319 63.054 0.265 19687 3288 1 5 . 1 1 159 159 THR CB C 159 69.870 69.870 69.070 0.800 19687 3289 1 5 . 1 1 159 159 THR H H 159 8.228 8.228 8.228 0.000 19687 3290 1 5 . 1 1 160 160 TYR N N 160 123.979 123.979 128.137 -4.158 19687 3291 1 5 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.088 0.266 19687 3292 1 5 . 1 1 160 160 TYR CA C 160 57.629 57.629 54.384 3.245 19687 3293 1 5 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.744 2.110 19687 3294 1 5 . 1 1 160 160 TYR H H 160 8.782 8.782 8.411 0.371 19687 3295 1 5 . 1 1 161 161 THR N N 161 115.752 115.752 115.287 0.465 19687 3296 1 5 . 1 1 161 161 THR HA H 161 5.509 5.509 5.155 0.354 19687 3297 1 5 . 1 1 161 161 THR CA C 161 61.354 61.354 61.994 -0.640 19687 3298 1 5 . 1 1 161 161 THR CB C 161 73.921 73.921 70.936 2.985 19687 3299 1 5 . 1 1 161 161 THR H H 161 9.096 9.096 9.034 0.062 19687 3300 1 5 . 1 1 162 162 CYS N N 162 119.476 119.476 126.535 -7.059 19687 3301 1 5 . 1 1 162 162 CYS HA H 162 4.533 4.533 5.085 -0.552 19687 3302 1 5 . 1 1 162 162 CYS CA C 162 52.737 52.737 57.455 -4.718 19687 3303 1 5 . 1 1 162 162 CYS CB C 162 43.843 43.843 29.695 14.148 19687 3304 1 5 . 1 1 162 162 CYS H H 162 8.580 8.580 9.080 -0.500 19687 3305 1 5 . 1 1 163 163 GLN N N 163 120.977 120.977 124.330 -3.353 19687 3306 1 5 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.688 0.260 19687 3307 1 5 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.182 0.034 19687 3308 1 5 . 1 1 163 163 GLN CB C 163 33.242 33.242 33.089 0.153 19687 3309 1 5 . 1 1 163 163 GLN H H 163 9.218 9.218 8.084 1.134 19687 3310 1 5 . 1 1 164 164 ARG N N 164 123.963 123.963 119.611 4.352 19687 3311 1 5 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.492 -0.274 19687 3312 1 5 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.286 -0.183 19687 3313 1 5 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.366 2.371 19687 3314 1 5 . 1 1 164 164 ARG H H 164 8.546 8.546 8.406 0.140 19687 3315 1 5 . 1 1 165 165 ASP N N 165 115.195 115.195 118.641 -3.446 19687 3316 1 5 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.716 -0.047 19687 3317 1 5 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.172 1.760 19687 3318 1 5 . 1 1 165 165 ASP CB C 165 41.643 41.643 42.909 -1.266 19687 3319 1 5 . 1 1 165 165 ASP H H 165 8.040 8.040 7.437 0.603 19687 3320 1 5 . 1 1 166 166 GLU N N 166 113.922 113.922 119.860 -5.938 19687 3321 1 5 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.041 -0.292 19687 3322 1 5 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.612 -0.418 19687 3323 1 5 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.827 -0.341 19687 3324 1 5 . 1 1 166 166 GLU H H 166 8.745 8.745 8.703 0.042 19687 3325 1 5 . 1 1 167 167 ASN N N 167 113.556 113.556 118.401 -4.845 19687 3326 1 5 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.610 -0.010 19687 3327 1 5 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.866 1.417 19687 3328 1 5 . 1 1 167 167 ASN CB C 167 40.577 40.577 36.481 4.096 19687 3329 1 5 . 1 1 167 167 ASN H H 167 8.540 8.540 8.580 -0.040 19687 3330 1 5 . 1 1 168 168 VAL N N 168 120.903 120.903 114.423 6.480 19687 3331 1 5 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.583 0.359 19687 3332 1 5 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.843 -0.672 19687 3333 1 5 . 1 1 168 168 VAL CB C 168 32.901 32.901 32.041 0.860 19687 3334 1 5 . 1 1 168 168 VAL H H 168 7.818 7.818 7.750 0.068 19687 3335 1 5 . 1 1 169 169 ASN N N 169 120.789 120.789 120.957 -0.168 19687 3336 1 5 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.649 0.314 19687 3337 1 5 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.485 -0.758 19687 3338 1 5 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.519 1.721 19687 3339 1 5 . 1 1 169 169 ASN H H 169 8.104 8.104 8.427 -0.323 19687 3340 1 5 . 1 1 170 170 SER N N 170 111.999 111.999 117.443 -5.444 19687 3341 1 5 . 1 1 170 170 SER HA H 170 4.505 4.505 4.510 -0.005 19687 3342 1 5 . 1 1 170 170 SER CA C 170 59.066 59.066 59.154 -0.088 19687 3343 1 5 . 1 1 170 170 SER CB C 170 65.677 65.677 63.101 2.576 19687 3344 1 5 . 1 1 170 170 SER H H 170 8.104 8.104 8.181 -0.077 19687 3345 1 5 . 1 1 171 171 THR N N 171 121.052 121.052 124.447 -3.395 19687 3346 1 5 . 1 1 171 171 THR HA H 171 5.430 5.430 4.622 0.808 19687 3347 1 5 . 1 1 171 171 THR CA C 171 62.194 62.194 62.354 -0.160 19687 3348 1 5 . 1 1 171 171 THR CB C 171 72.220 72.220 69.130 3.090 19687 3349 1 5 . 1 1 171 171 THR H H 171 8.397 8.397 8.393 0.004 19687 3350 1 5 . 1 1 172 172 LEU N N 172 130.063 130.063 129.239 0.824 19687 3351 1 5 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.707 0.011 19687 3352 1 5 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.585 1.247 19687 3353 1 5 . 1 1 172 172 LEU CB C 172 48.599 48.599 42.576 6.023 19687 3354 1 5 . 1 1 172 172 LEU H H 172 9.515 9.515 8.896 0.619 19687 3355 1 5 . 1 1 173 173 HIS CB C 173 27.207 27.207 33.460 -6.253 19687 3356 1 5 . 1 1 176 176 TYR N N 176 130.457 130.457 116.989 13.468 19687 3357 1 5 . 1 1 176 176 TYR HA H 176 4.886 4.886 4.471 0.415 19687 3358 1 5 . 1 1 176 176 TYR CA C 176 57.628 57.628 59.297 -1.669 19687 3359 1 5 . 1 1 176 176 TYR CB C 176 40.201 40.201 38.639 1.562 19687 3360 1 5 . 1 1 176 176 TYR H H 176 7.851 7.851 8.134 -0.283 19687 3361 1 5 . 1 1 177 177 ARG N N 177 123.397 123.397 119.022 4.375 19687 3362 1 5 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.436 -0.225 19687 3363 1 5 . 1 1 177 177 ARG CA C 177 55.855 55.855 56.176 -0.321 19687 3364 1 5 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.283 -0.207 19687 3365 1 5 . 1 1 177 177 ARG H H 177 8.591 8.591 8.659 -0.068 19687 3366 1 6 . 1 1 5 5 GLY CA C 5 45.663 45.663 45.167 0.496 19687 3367 1 6 . 1 1 6 6 GLN N N 6 117.952 117.952 120.482 -2.530 19687 3368 1 6 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.333 -0.134 19687 3369 1 6 . 1 1 6 6 GLN CA C 6 55.767 55.767 55.157 0.610 19687 3370 1 6 . 1 1 6 6 GLN CB C 6 30.183 30.183 31.103 -0.920 19687 3371 1 6 . 1 1 6 6 GLN H H 6 8.143 8.143 7.990 0.153 19687 3372 1 6 . 1 1 7 7 GLU N N 7 120.150 120.150 118.928 1.222 19687 3373 1 6 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.559 -0.469 19687 3374 1 6 . 1 1 7 7 GLU CA C 7 57.080 57.080 56.607 0.473 19687 3375 1 6 . 1 1 7 7 GLU CB C 7 30.461 30.461 29.866 0.595 19687 3376 1 6 . 1 1 7 7 GLU H H 7 8.468 8.468 8.604 -0.136 19687 3377 1 6 . 1 1 8 8 GLU N N 8 117.498 117.498 119.653 -2.155 19687 3378 1 6 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.109 0.331 19687 3379 1 6 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.736 -3.480 19687 3380 1 6 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.949 3.856 19687 3381 1 6 . 1 1 8 8 GLU H H 8 7.997 7.997 8.663 -0.666 19687 3382 1 6 . 1 1 9 9 PHE N N 9 121.043 121.043 117.560 3.483 19687 3383 1 6 . 1 1 9 9 PHE H H 9 8.459 8.459 8.079 0.380 19687 3384 1 6 . 1 1 10 10 ALA N N 10 120.252 120.252 118.002 2.250 19687 3385 1 6 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.009 0.593 19687 3386 1 6 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.263 -1.113 19687 3387 1 6 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.546 3.754 19687 3388 1 6 . 1 1 10 10 ALA H H 10 7.566 7.566 8.246 -0.680 19687 3389 1 6 . 1 1 11 11 VAL N N 11 119.476 119.476 117.632 1.844 19687 3390 1 6 . 1 1 11 11 VAL HA H 11 4.234 4.234 4.975 -0.741 19687 3391 1 6 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.448 1.505 19687 3392 1 6 . 1 1 11 11 VAL CB C 11 35.067 35.067 32.908 2.159 19687 3393 1 6 . 1 1 11 11 VAL H H 11 8.440 8.440 8.058 0.382 19687 3394 1 6 . 1 1 12 12 GLU N N 12 126.837 126.837 127.042 -0.205 19687 3395 1 6 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.735 -0.187 19687 3396 1 6 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.171 -0.158 19687 3397 1 6 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.418 1.105 19687 3398 1 6 . 1 1 12 12 GLU H H 12 8.787 8.787 9.148 -0.361 19687 3399 1 6 . 1 1 13 13 ILE N N 13 124.712 124.712 126.752 -2.040 19687 3400 1 6 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.137 0.371 19687 3401 1 6 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.328 -0.728 19687 3402 1 6 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.436 1.464 19687 3403 1 6 . 1 1 13 13 ILE H H 13 8.753 8.753 8.644 0.109 19687 3404 1 6 . 1 1 14 14 SER N N 14 121.782 121.782 122.692 -0.910 19687 3405 1 6 . 1 1 14 14 SER HA H 14 4.607 4.607 4.880 -0.273 19687 3406 1 6 . 1 1 14 14 SER CA C 14 56.398 56.398 57.112 -0.714 19687 3407 1 6 . 1 1 14 14 SER CB C 14 63.918 63.918 64.680 -0.762 19687 3408 1 6 . 1 1 14 14 SER H H 14 8.475 8.475 8.795 -0.320 19687 3409 1 6 . 1 1 15 15 GLY CA C 15 47.494 47.494 47.239 0.255 19687 3410 1 6 . 1 1 16 16 THR N N 16 114.515 114.515 117.749 -3.234 19687 3411 1 6 . 1 1 16 16 THR HA H 16 4.197 4.197 4.489 -0.292 19687 3412 1 6 . 1 1 16 16 THR CA C 16 61.600 61.600 61.567 0.033 19687 3413 1 6 . 1 1 16 16 THR CB C 16 68.800 68.800 68.914 -0.114 19687 3414 1 6 . 1 1 16 16 THR H H 16 8.636 8.636 8.042 0.594 19687 3415 1 6 . 1 1 17 17 THR N N 17 118.332 118.332 118.408 -0.076 19687 3416 1 6 . 1 1 17 17 THR HA H 17 5.004 5.004 5.069 -0.065 19687 3417 1 6 . 1 1 17 17 THR CA C 17 62.095 62.095 62.598 -0.503 19687 3418 1 6 . 1 1 17 17 THR CB C 17 70.105 70.105 72.739 -2.634 19687 3419 1 6 . 1 1 17 17 THR H H 17 8.353 8.353 7.951 0.402 19687 3420 1 6 . 1 1 18 18 VAL N N 18 127.794 127.794 126.623 1.171 19687 3421 1 6 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.260 -0.680 19687 3422 1 6 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.242 2.057 19687 3423 1 6 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.736 -1.371 19687 3424 1 6 . 1 1 18 18 VAL H H 18 8.843 8.843 8.524 0.319 19687 3425 1 6 . 1 1 19 19 THR N N 19 121.651 121.651 120.298 1.353 19687 3426 1 6 . 1 1 19 19 THR CA C 19 62.635 62.635 59.129 3.506 19687 3427 1 6 . 1 1 19 19 THR CB C 19 69.854 69.854 71.210 -1.356 19687 3428 1 6 . 1 1 19 19 THR H H 19 8.953 8.953 9.146 -0.193 19687 3429 1 6 . 1 1 20 20 ILE N N 20 106.781 106.781 123.184 -16.403 19687 3430 1 6 . 1 1 20 20 ILE HA H 20 4.063 4.063 5.058 -0.995 19687 3431 1 6 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.398 -0.083 19687 3432 1 6 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.217 -0.017 19687 3433 1 6 . 1 1 20 20 ILE H H 20 9.426 9.426 8.519 0.907 19687 3434 1 6 . 1 1 21 21 THR N N 21 121.256 121.256 121.300 -0.044 19687 3435 1 6 . 1 1 21 21 THR HA H 21 5.160 5.160 4.861 0.299 19687 3436 1 6 . 1 1 21 21 THR CA C 21 62.116 62.116 62.104 0.012 19687 3437 1 6 . 1 1 21 21 THR CB C 21 70.105 70.105 70.325 -0.220 19687 3438 1 6 . 1 1 21 21 THR H H 21 9.245 9.245 8.610 0.635 19687 3439 1 6 . 1 1 22 22 CYS N N 22 123.311 123.311 125.732 -2.421 19687 3440 1 6 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.544 -1.823 19687 3441 1 6 . 1 1 22 22 CYS CA C 22 53.933 53.933 54.999 -1.066 19687 3442 1 6 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.370 13.723 19687 3443 1 6 . 1 1 22 22 CYS H H 22 8.930 8.930 8.462 0.468 19687 3444 1 6 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.313 -0.643 19687 3445 1 6 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.129 1.337 19687 3446 1 6 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.766 -0.119 19687 3447 1 6 . 1 1 24 24 SER N N 24 107.893 107.893 114.277 -6.384 19687 3448 1 6 . 1 1 24 24 SER HA H 24 4.289 4.289 3.695 0.594 19687 3449 1 6 . 1 1 24 24 SER CA C 24 58.121 58.121 60.252 -2.131 19687 3450 1 6 . 1 1 24 24 SER CB C 24 65.762 65.762 63.123 2.639 19687 3451 1 6 . 1 1 24 24 SER H H 24 6.307 6.307 7.632 -1.325 19687 3452 1 6 . 1 1 25 25 SER N N 25 113.836 113.836 111.875 1.961 19687 3453 1 6 . 1 1 25 25 SER HA H 25 4.469 4.469 4.352 0.117 19687 3454 1 6 . 1 1 25 25 SER CA C 25 57.103 57.103 58.522 -1.419 19687 3455 1 6 . 1 1 25 25 SER CB C 25 65.185 65.185 64.062 1.123 19687 3456 1 6 . 1 1 25 25 SER H H 25 8.121 8.121 7.246 0.875 19687 3457 1 6 . 1 1 26 26 GLY N N 26 107.245 107.245 109.802 -2.557 19687 3458 1 6 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.216 0.060 19687 3459 1 6 . 1 1 26 26 GLY H H 26 8.194 8.194 8.160 0.034 19687 3460 1 6 . 1 1 27 27 ASP N N 27 116.002 116.002 119.347 -3.345 19687 3461 1 6 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.654 -0.185 19687 3462 1 6 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.199 1.024 19687 3463 1 6 . 1 1 27 27 ASP CB C 27 41.908 41.908 42.189 -0.281 19687 3464 1 6 . 1 1 27 27 ASP H H 27 8.186 8.186 7.994 0.192 19687 3465 1 6 . 1 1 28 28 ASP N N 28 117.805 117.805 120.437 -2.632 19687 3466 1 6 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.841 -0.336 19687 3467 1 6 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.958 -0.144 19687 3468 1 6 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.716 0.174 19687 3469 1 6 . 1 1 28 28 ASP H H 28 8.319 8.319 8.016 0.303 19687 3470 1 6 . 1 1 29 29 ILE N N 29 120.506 120.506 121.683 -1.177 19687 3471 1 6 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.267 -0.077 19687 3472 1 6 . 1 1 29 29 ILE CA C 29 61.156 61.156 60.927 0.229 19687 3473 1 6 . 1 1 29 29 ILE CB C 29 38.367 38.367 39.037 -0.670 19687 3474 1 6 . 1 1 29 29 ILE H H 29 7.913 7.913 8.048 -0.135 19687 3475 1 6 . 1 1 30 30 LYS N N 30 125.490 125.490 124.504 0.986 19687 3476 1 6 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.617 0.149 19687 3477 1 6 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.645 0.108 19687 3478 1 6 . 1 1 30 30 LYS CB C 30 35.485 35.485 35.042 0.443 19687 3479 1 6 . 1 1 30 30 LYS H H 30 8.177 8.177 7.931 0.246 19687 3480 1 6 . 1 1 31 31 TRP N N 31 121.968 121.968 123.932 -1.964 19687 3481 1 6 . 1 1 31 31 TRP HA H 31 5.298 5.298 5.230 0.068 19687 3482 1 6 . 1 1 31 31 TRP CA C 31 57.573 57.573 56.569 1.004 19687 3483 1 6 . 1 1 31 31 TRP CB C 31 34.076 34.076 31.724 2.352 19687 3484 1 6 . 1 1 31 31 TRP H H 31 8.752 8.752 8.668 0.084 19687 3485 1 6 . 1 1 32 32 LYS N N 32 118.343 118.343 118.931 -0.588 19687 3486 1 6 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.743 -0.520 19687 3487 1 6 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.226 -1.629 19687 3488 1 6 . 1 1 32 32 LYS CB C 32 35.485 35.485 30.615 4.870 19687 3489 1 6 . 1 1 32 32 LYS H H 32 8.876 8.876 8.575 0.301 19687 3490 1 6 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.227 0.070 19687 3491 1 6 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.633 -1.341 19687 3492 1 6 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.713 3.779 19687 3493 1 6 . 1 1 34 34 ASP N N 34 119.044 119.044 113.997 5.047 19687 3494 1 6 . 1 1 34 34 ASP HA H 34 5.342 5.342 5.001 0.341 19687 3495 1 6 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.408 -1.458 19687 3496 1 6 . 1 1 34 34 ASP CB C 34 42.122 42.122 41.686 0.436 19687 3497 1 6 . 1 1 34 34 ASP H H 34 8.039 8.039 7.779 0.260 19687 3498 1 6 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.506 -0.172 19687 3499 1 6 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.564 0.573 19687 3500 1 6 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.106 0.786 19687 3501 1 6 . 1 1 36 36 ALA N N 36 117.764 117.764 120.840 -3.076 19687 3502 1 6 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.126 0.001 19687 3503 1 6 . 1 1 36 36 ALA CA C 36 54.475 54.475 54.055 0.420 19687 3504 1 6 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.888 0.027 19687 3505 1 6 . 1 1 36 36 ALA H H 36 8.126 8.126 7.989 0.137 19687 3506 1 6 . 1 1 37 37 LEU N N 37 115.927 115.927 112.239 3.688 19687 3507 1 6 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.467 -0.547 19687 3508 1 6 . 1 1 37 37 LEU CA C 37 55.427 55.427 53.029 2.398 19687 3509 1 6 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.240 -2.663 19687 3510 1 6 . 1 1 37 37 LEU H H 37 7.576 7.576 7.170 0.406 19687 3511 1 6 . 1 1 38 38 GLY N N 38 127.283 127.283 107.966 19.317 19687 3512 1 6 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.104 1.295 19687 3513 1 6 . 1 1 38 38 GLY H H 38 7.341 7.341 7.455 -0.114 19687 3514 1 6 . 1 1 39 39 ASP N N 39 122.925 122.925 123.637 -0.712 19687 3515 1 6 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.617 -0.058 19687 3516 1 6 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.818 -0.085 19687 3517 1 6 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.065 -0.977 19687 3518 1 6 . 1 1 39 39 ASP H H 39 9.095 9.095 7.908 1.187 19687 3519 1 6 . 1 1 40 40 ASN N N 40 122.444 122.444 119.131 3.313 19687 3520 1 6 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.466 -0.141 19687 3521 1 6 . 1 1 40 40 ASN CA C 40 56.339 56.339 57.297 -0.958 19687 3522 1 6 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.565 -0.128 19687 3523 1 6 . 1 1 40 40 ASN H H 40 9.267 9.267 8.745 0.522 19687 3524 1 6 . 1 1 41 41 ASN N N 41 119.328 119.328 117.075 2.253 19687 3525 1 6 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.842 -0.408 19687 3526 1 6 . 1 1 41 41 ASN CA C 41 55.053 55.053 52.375 2.678 19687 3527 1 6 . 1 1 41 41 ASN CB C 41 37.768 37.768 37.463 0.305 19687 3528 1 6 . 1 1 41 41 ASN H H 41 8.661 8.661 8.641 0.020 19687 3529 1 6 . 1 1 42 42 LYS N N 42 119.592 119.592 119.081 0.511 19687 3530 1 6 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.134 0.452 19687 3531 1 6 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.939 -0.955 19687 3532 1 6 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.378 0.444 19687 3533 1 6 . 1 1 42 42 LYS H H 42 8.195 8.195 7.739 0.456 19687 3534 1 6 . 1 1 43 43 TYR N N 43 123.577 123.577 121.245 2.332 19687 3535 1 6 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.319 -0.544 19687 3536 1 6 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.215 1.158 19687 3537 1 6 . 1 1 43 43 TYR CB C 43 40.262 40.262 39.748 0.514 19687 3538 1 6 . 1 1 43 43 TYR H H 43 8.661 8.661 8.899 -0.238 19687 3539 1 6 . 1 1 44 44 ILE N N 44 124.735 124.735 128.093 -3.358 19687 3540 1 6 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.003 0.556 19687 3541 1 6 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.836 1.377 19687 3542 1 6 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.159 4.033 19687 3543 1 6 . 1 1 44 44 ILE H H 44 7.239 7.239 8.203 -0.964 19687 3544 1 6 . 1 1 45 45 ILE N N 45 126.245 126.245 128.824 -2.579 19687 3545 1 6 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.048 -0.174 19687 3546 1 6 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.915 -0.363 19687 3547 1 6 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.229 1.291 19687 3548 1 6 . 1 1 45 45 ILE H H 45 8.984 8.984 8.947 0.037 19687 3549 1 6 . 1 1 46 46 GLN N N 46 122.581 122.581 124.706 -2.125 19687 3550 1 6 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.553 -0.354 19687 3551 1 6 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.989 1.218 19687 3552 1 6 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.549 -2.413 19687 3553 1 6 . 1 1 46 46 GLN H H 46 8.356 8.356 8.378 -0.022 19687 3554 1 6 . 1 1 47 47 ASN N N 47 116.902 116.902 119.057 -2.155 19687 3555 1 6 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.337 -0.129 19687 3556 1 6 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.317 -0.897 19687 3557 1 6 . 1 1 47 47 ASN CB C 47 37.945 37.945 38.379 -0.434 19687 3558 1 6 . 1 1 47 47 ASN H H 47 9.115 9.115 8.883 0.232 19687 3559 1 6 . 1 1 48 48 HIS N N 48 117.711 117.711 119.294 -1.583 19687 3560 1 6 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.332 0.020 19687 3561 1 6 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.540 0.133 19687 3562 1 6 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.730 1.318 19687 3563 1 6 . 1 1 48 48 HIS H H 48 8.727 8.727 8.304 0.423 19687 3564 1 6 . 1 1 49 49 ASP N N 49 124.049 124.049 120.246 3.803 19687 3565 1 6 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.644 -0.445 19687 3566 1 6 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.025 0.785 19687 3567 1 6 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.199 -1.967 19687 3568 1 6 . 1 1 49 49 ASP H H 49 7.339 7.339 7.574 -0.235 19687 3569 1 6 . 1 1 50 50 SER N N 50 100.425 100.425 120.171 -19.746 19687 3570 1 6 . 1 1 50 50 SER HA H 50 4.100 4.100 4.286 -0.186 19687 3571 1 6 . 1 1 50 50 SER CA C 50 54.542 54.542 59.386 -4.844 19687 3572 1 6 . 1 1 50 50 SER CB C 50 61.489 61.489 62.870 -1.381 19687 3573 1 6 . 1 1 50 50 SER H H 50 5.420 5.420 8.616 -3.196 19687 3574 1 6 . 1 1 51 51 SER N N 51 115.785 115.785 120.505 -4.720 19687 3575 1 6 . 1 1 51 51 SER HA H 51 4.619 4.619 4.818 -0.199 19687 3576 1 6 . 1 1 51 51 SER CA C 51 57.320 57.320 57.357 -0.037 19687 3577 1 6 . 1 1 51 51 SER CB C 51 63.171 63.171 64.618 -1.447 19687 3578 1 6 . 1 1 51 51 SER H H 51 7.543 7.543 8.091 -0.548 19687 3579 1 6 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.780 -0.337 19687 3580 1 6 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.787 1.954 19687 3581 1 6 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.744 0.077 19687 3582 1 6 . 1 1 53 53 LEU N N 53 120.506 120.506 113.646 6.860 19687 3583 1 6 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.388 0.137 19687 3584 1 6 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.602 0.098 19687 3585 1 6 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.083 3.217 19687 3586 1 6 . 1 1 53 53 LEU H H 53 8.243 8.243 7.200 1.043 19687 3587 1 6 . 1 1 54 54 THR N N 54 116.375 116.375 118.785 -2.410 19687 3588 1 6 . 1 1 54 54 THR HA H 54 5.307 5.307 4.417 0.890 19687 3589 1 6 . 1 1 54 54 THR CA C 54 61.956 61.956 62.897 -0.941 19687 3590 1 6 . 1 1 54 54 THR CB C 54 70.170 70.170 69.033 1.137 19687 3591 1 6 . 1 1 54 54 THR H H 54 7.839 7.839 8.229 -0.390 19687 3592 1 6 . 1 1 55 55 VAL N N 55 123.311 123.311 129.059 -5.748 19687 3593 1 6 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.234 0.532 19687 3594 1 6 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.911 -1.234 19687 3595 1 6 . 1 1 55 55 VAL CB C 55 35.987 35.987 34.346 1.641 19687 3596 1 6 . 1 1 55 55 VAL H H 55 8.941 8.941 8.845 0.096 19687 3597 1 6 . 1 1 56 56 SER N N 56 115.664 115.664 123.287 -7.623 19687 3598 1 6 . 1 1 56 56 SER HA H 56 5.811 5.811 4.987 0.824 19687 3599 1 6 . 1 1 56 56 SER CA C 56 56.606 56.606 56.996 -0.390 19687 3600 1 6 . 1 1 56 56 SER CB C 56 67.712 67.712 64.525 3.187 19687 3601 1 6 . 1 1 56 56 SER H H 56 8.748 8.748 8.467 0.281 19687 3602 1 6 . 1 1 57 57 CYS N N 57 113.093 113.093 124.867 -11.774 19687 3603 1 6 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.809 0.147 19687 3604 1 6 . 1 1 57 57 CYS CA C 57 53.136 53.136 57.443 -4.307 19687 3605 1 6 . 1 1 57 57 CYS CB C 57 48.859 48.859 30.901 17.958 19687 3606 1 6 . 1 1 57 57 CYS H H 57 8.766 8.766 9.323 -0.557 19687 3607 1 6 . 1 1 58 58 THR N N 58 115.221 115.221 123.233 -8.012 19687 3608 1 6 . 1 1 58 58 THR HA H 58 4.829 4.829 4.889 -0.060 19687 3609 1 6 . 1 1 58 58 THR CA C 58 61.394 61.394 61.398 -0.004 19687 3610 1 6 . 1 1 58 58 THR CB C 58 70.872 70.872 70.476 0.396 19687 3611 1 6 . 1 1 58 58 THR H H 58 8.440 8.440 7.904 0.536 19687 3612 1 6 . 1 1 59 59 ALA N N 59 128.540 128.540 129.635 -1.095 19687 3613 1 6 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.907 -0.465 19687 3614 1 6 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.152 0.509 19687 3615 1 6 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.646 1.583 19687 3616 1 6 . 1 1 59 59 ALA H H 59 8.489 8.489 7.950 0.539 19687 3617 1 6 . 1 1 60 60 GLY N N 60 114.199 114.199 114.631 -0.432 19687 3618 1 6 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.025 0.643 19687 3619 1 6 . 1 1 60 60 GLY H H 60 9.072 9.072 8.377 0.695 19687 3620 1 6 . 1 1 61 61 ASP N N 61 122.847 122.847 125.388 -2.541 19687 3621 1 6 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.867 -0.515 19687 3622 1 6 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.375 1.230 19687 3623 1 6 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.597 -0.319 19687 3624 1 6 . 1 1 61 61 ASP H H 61 8.553 8.553 8.433 0.120 19687 3625 1 6 . 1 1 62 62 GLN N N 62 117.800 117.800 118.830 -1.030 19687 3626 1 6 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.531 -0.341 19687 3627 1 6 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.980 0.377 19687 3628 1 6 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.919 -1.643 19687 3629 1 6 . 1 1 62 62 GLN H H 62 7.703 7.703 7.490 0.213 19687 3630 1 6 . 1 1 63 63 GLU N N 63 123.165 123.165 121.997 1.168 19687 3631 1 6 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.149 -0.509 19687 3632 1 6 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.711 -0.246 19687 3633 1 6 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.657 0.946 19687 3634 1 6 . 1 1 63 63 GLU H H 63 8.143 8.143 8.934 -0.791 19687 3635 1 6 . 1 1 64 64 HIS N N 64 125.182 125.182 125.124 0.058 19687 3636 1 6 . 1 1 64 64 HIS HA H 64 4.764 4.764 4.994 -0.230 19687 3637 1 6 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.104 0.173 19687 3638 1 6 . 1 1 64 64 HIS CB C 64 33.100 33.100 32.733 0.367 19687 3639 1 6 . 1 1 64 64 HIS H H 64 8.925 8.925 8.708 0.217 19687 3640 1 6 . 1 1 65 65 THR N N 65 120.044 120.044 114.914 5.130 19687 3641 1 6 . 1 1 65 65 THR HA H 65 4.996 4.996 5.672 -0.676 19687 3642 1 6 . 1 1 65 65 THR CA C 65 63.303 63.303 60.055 3.248 19687 3643 1 6 . 1 1 65 65 THR CB C 65 71.145 71.145 71.805 -0.660 19687 3644 1 6 . 1 1 65 65 THR H H 65 9.376 9.376 9.404 -0.028 19687 3645 1 6 . 1 1 66 66 MET N N 66 126.414 126.414 121.063 5.351 19687 3646 1 6 . 1 1 66 66 MET HA H 66 5.512 5.512 4.833 0.679 19687 3647 1 6 . 1 1 66 66 MET CA C 66 52.610 52.610 55.226 -2.616 19687 3648 1 6 . 1 1 66 66 MET CB C 66 36.065 36.065 37.267 -1.202 19687 3649 1 6 . 1 1 66 66 MET H H 66 9.422 9.422 8.817 0.605 19687 3650 1 6 . 1 1 67 67 TYR N N 67 124.879 124.879 125.192 -0.313 19687 3651 1 6 . 1 1 67 67 TYR HA H 67 4.807 4.807 4.930 -0.123 19687 3652 1 6 . 1 1 67 67 TYR CA C 67 57.601 57.601 58.232 -0.631 19687 3653 1 6 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.006 1.694 19687 3654 1 6 . 1 1 67 67 TYR H H 67 9.023 9.023 8.249 0.774 19687 3655 1 6 . 1 1 68 68 LEU N N 68 127.991 127.991 129.137 -1.146 19687 3656 1 6 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.611 0.172 19687 3657 1 6 . 1 1 68 68 LEU CA C 68 52.795 52.795 54.102 -1.307 19687 3658 1 6 . 1 1 68 68 LEU CB C 68 44.966 44.966 42.793 2.173 19687 3659 1 6 . 1 1 68 68 LEU H H 68 8.714 8.714 8.841 -0.127 19687 3660 1 6 . 1 1 69 69 ASN N N 69 125.992 125.992 123.706 2.286 19687 3661 1 6 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.503 -1.045 19687 3662 1 6 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.974 -0.667 19687 3663 1 6 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.283 -2.387 19687 3664 1 6 . 1 1 69 69 ASN H H 69 8.369 8.369 8.356 0.013 19687 3665 1 6 . 1 1 70 70 ALA N N 70 122.336 122.336 124.336 -2.000 19687 3666 1 6 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.711 0.001 19687 3667 1 6 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.943 -1.822 19687 3668 1 6 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.455 -1.289 19687 3669 1 6 . 1 1 70 70 ALA H H 70 8.581 8.581 8.409 0.172 19687 3670 1 6 . 1 1 71 71 LYS N N 71 120.661 120.661 120.193 0.468 19687 3671 1 6 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.792 -0.485 19687 3672 1 6 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.255 -0.299 19687 3673 1 6 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.700 -1.833 19687 3674 1 6 . 1 1 71 71 LYS H H 71 8.558 8.558 8.643 -0.085 19687 3675 1 6 . 1 1 72 72 VAL N N 72 114.526 114.526 120.360 -5.834 19687 3676 1 6 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.238 0.141 19687 3677 1 6 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.779 -2.016 19687 3678 1 6 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.589 1.636 19687 3679 1 6 . 1 1 72 72 VAL H H 72 8.384 8.384 8.404 -0.020 19687 3680 1 6 . 1 1 73 73 GLY N N 73 107.198 107.198 114.072 -6.874 19687 3681 1 6 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.223 0.131 19687 3682 1 6 . 1 1 73 73 GLY H H 73 8.036 8.036 8.578 -0.542 19687 3683 1 6 . 1 1 74 74 SER N N 74 113.743 113.743 115.941 -2.198 19687 3684 1 6 . 1 1 74 74 SER CA C 74 58.043 58.043 56.973 1.070 19687 3685 1 6 . 1 1 74 74 SER CB C 74 64.622 64.622 66.008 -1.387 19687 3686 1 6 . 1 1 74 74 SER H H 74 8.292 8.292 7.373 0.919 19687 3687 1 6 . 1 1 75 75 ALA HA H 75 4.145 4.145 3.953 0.192 19687 3688 1 6 . 1 1 75 75 ALA CA C 75 53.630 53.630 54.067 -0.437 19687 3689 1 6 . 1 1 75 75 ALA CB C 75 19.565 19.565 17.374 2.191 19687 3690 1 6 . 1 1 76 76 ASP N N 76 117.216 117.216 122.980 -5.764 19687 3691 1 6 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.843 -0.443 19687 3692 1 6 . 1 1 76 76 ASP CA C 76 55.110 55.110 54.577 0.533 19687 3693 1 6 . 1 1 76 76 ASP CB C 76 41.466 41.466 41.840 -0.374 19687 3694 1 6 . 1 1 76 76 ASP H H 76 8.189 8.189 8.391 -0.202 19687 3695 1 6 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.772 -0.671 19687 3696 1 6 . 1 1 77 77 ASP CA C 77 53.040 53.040 53.458 -0.418 19687 3697 1 6 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.045 0.028 19687 3698 1 6 . 1 1 82 82 ALA CA C 82 53.462 53.462 52.625 0.837 19687 3699 1 6 . 1 1 82 82 ALA CB C 82 19.492 19.492 18.601 0.891 19687 3700 1 6 . 1 1 83 83 ALA N N 83 120.555 120.555 122.543 -1.988 19687 3701 1 6 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.497 0.425 19687 3702 1 6 . 1 1 83 83 ALA CA C 83 53.158 53.158 51.794 1.365 19687 3703 1 6 . 1 1 83 83 ALA H H 83 8.048 8.048 8.232 -0.184 19687 3704 1 6 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.661 -0.560 19687 3705 1 6 . 1 1 96 96 ASP CA C 96 56.270 56.270 53.322 2.949 19687 3706 1 6 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.734 0.635 19687 3707 1 6 . 1 1 97 97 GLY N N 97 106.760 106.760 109.083 -2.323 19687 3708 1 6 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.893 1.041 19687 3709 1 6 . 1 1 97 97 GLY H H 97 8.313 8.313 8.418 -0.105 19687 3710 1 6 . 1 1 98 98 SER N N 98 114.252 114.252 118.867 -4.615 19687 3711 1 6 . 1 1 98 98 SER HA H 98 4.281 4.281 4.708 -0.427 19687 3712 1 6 . 1 1 98 98 SER CA C 98 59.061 59.061 58.404 0.657 19687 3713 1 6 . 1 1 98 98 SER CB C 98 64.152 64.152 63.891 0.261 19687 3714 1 6 . 1 1 98 98 SER H H 98 8.179 8.179 8.349 -0.170 19687 3715 1 6 . 1 1 99 99 VAL N N 99 119.765 119.765 120.519 -0.754 19687 3716 1 6 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.358 -0.365 19687 3717 1 6 . 1 1 99 99 VAL CA C 99 62.728 62.728 61.761 0.967 19687 3718 1 6 . 1 1 99 99 VAL CB C 99 32.891 32.891 31.667 1.224 19687 3719 1 6 . 1 1 99 99 VAL H H 99 7.978 7.978 8.268 -0.290 19687 3720 1 6 . 1 1 100 100 ALA N N 100 126.348 126.348 122.760 3.588 19687 3721 1 6 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.147 -0.028 19687 3722 1 6 . 1 1 100 100 ALA CA C 100 52.933 52.933 52.813 0.120 19687 3723 1 6 . 1 1 100 100 ALA CB C 100 20.172 20.172 17.806 2.366 19687 3724 1 6 . 1 1 100 100 ALA H H 100 8.244 8.244 7.808 0.436 19687 3725 1 6 . 1 1 101 101 LYS N N 101 118.495 118.495 119.945 -1.450 19687 3726 1 6 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.408 -0.181 19687 3727 1 6 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.079 0.200 19687 3728 1 6 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.635 1.282 19687 3729 1 6 . 1 1 101 101 LYS H H 101 8.105 8.105 8.340 -0.235 19687 3730 1 6 . 1 1 102 102 LEU N N 102 123.225 123.225 120.096 3.129 19687 3731 1 6 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.637 -0.397 19687 3732 1 6 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.207 0.993 19687 3733 1 6 . 1 1 102 102 LEU CB C 102 43.033 43.033 42.884 0.149 19687 3734 1 6 . 1 1 102 102 LEU H H 102 8.308 8.308 7.621 0.687 19687 3735 1 6 . 1 1 103 103 GLY N N 103 108.552 108.552 112.215 -3.663 19687 3736 1 6 . 1 1 103 103 GLY CA C 103 45.287 45.287 44.779 0.508 19687 3737 1 6 . 1 1 103 103 GLY H H 103 8.286 8.286 8.426 -0.140 19687 3738 1 6 . 1 1 104 104 VAL N N 104 118.898 118.898 121.052 -2.154 19687 3739 1 6 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.041 0.345 19687 3740 1 6 . 1 1 104 104 VAL CA C 104 62.978 62.978 63.282 -0.304 19687 3741 1 6 . 1 1 104 104 VAL CB C 104 32.901 32.901 32.248 0.652 19687 3742 1 6 . 1 1 104 104 VAL H H 104 7.845 7.845 8.079 -0.234 19687 3743 1 6 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.208 0.489 19687 3744 1 6 . 1 1 105 105 HIS CA C 105 55.848 55.848 57.944 -2.096 19687 3745 1 6 . 1 1 105 105 HIS CB C 105 32.961 32.961 29.389 3.572 19687 3746 1 6 . 1 1 106 106 GLY N N 106 108.707 108.707 109.688 -0.981 19687 3747 1 6 . 1 1 106 106 GLY CA C 106 45.687 45.687 45.036 0.651 19687 3748 1 6 . 1 1 106 106 GLY H H 106 8.318 8.318 8.532 -0.214 19687 3749 1 6 . 1 1 107 107 LEU N N 107 121.670 121.670 118.595 3.075 19687 3750 1 6 . 1 1 107 107 LEU HA H 107 4.402 4.402 5.018 -0.616 19687 3751 1 6 . 1 1 107 107 LEU CA C 107 55.497 55.497 53.221 2.276 19687 3752 1 6 . 1 1 107 107 LEU CB C 107 43.632 43.632 43.561 0.071 19687 3753 1 6 . 1 1 107 107 LEU H H 107 8.191 8.191 7.959 0.232 19687 3754 1 6 . 1 1 108 108 SER N N 108 118.838 118.838 116.216 2.622 19687 3755 1 6 . 1 1 108 108 SER HA H 108 4.704 4.704 4.754 -0.050 19687 3756 1 6 . 1 1 108 108 SER CA C 108 57.430 57.430 57.597 -0.167 19687 3757 1 6 . 1 1 108 108 SER CB C 108 65.954 65.954 65.525 0.429 19687 3758 1 6 . 1 1 108 108 SER H H 108 8.523 8.523 8.218 0.305 19687 3759 1 6 . 1 1 109 109 MET N N 109 123.671 123.671 120.119 3.552 19687 3760 1 6 . 1 1 109 109 MET HA H 109 5.118 5.118 4.685 0.433 19687 3761 1 6 . 1 1 109 109 MET CA C 109 55.146 55.146 55.764 -0.618 19687 3762 1 6 . 1 1 109 109 MET CB C 109 35.799 35.799 35.297 0.501 19687 3763 1 6 . 1 1 109 109 MET H H 109 8.351 8.351 8.228 0.123 19687 3764 1 6 . 1 1 110 110 SER N N 110 118.211 118.211 116.114 2.097 19687 3765 1 6 . 1 1 110 110 SER HA H 110 4.668 4.668 5.122 -0.454 19687 3766 1 6 . 1 1 110 110 SER CA C 110 57.103 57.103 56.399 0.704 19687 3767 1 6 . 1 1 110 110 SER CB C 110 66.659 66.659 66.604 0.055 19687 3768 1 6 . 1 1 110 110 SER H H 110 9.061 9.061 8.219 0.842 19687 3769 1 6 . 1 1 111 111 VAL N N 111 119.042 119.042 116.713 2.329 19687 3770 1 6 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.669 -0.379 19687 3771 1 6 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.788 1.378 19687 3772 1 6 . 1 1 111 111 VAL CB C 111 33.733 33.733 33.228 0.505 19687 3773 1 6 . 1 1 111 111 VAL H H 111 7.923 7.923 8.639 -0.716 19687 3774 1 6 . 1 1 112 112 LYS N N 112 126.477 126.477 127.102 -0.625 19687 3775 1 6 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.602 -0.096 19687 3776 1 6 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.709 0.123 19687 3777 1 6 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.130 0.825 19687 3778 1 6 . 1 1 112 112 LYS H H 112 9.181 9.181 9.098 0.083 19687 3779 1 6 . 1 1 113 113 GLU N N 113 121.962 121.962 123.002 -1.040 19687 3780 1 6 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.961 0.275 19687 3781 1 6 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.469 -0.674 19687 3782 1 6 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.006 -0.292 19687 3783 1 6 . 1 1 113 113 GLU H H 113 8.410 8.410 8.662 -0.252 19687 3784 1 6 . 1 1 114 114 VAL N N 114 122.453 122.453 123.846 -1.393 19687 3785 1 6 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.544 -0.384 19687 3786 1 6 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.808 1.838 19687 3787 1 6 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.344 1.220 19687 3788 1 6 . 1 1 114 114 VAL H H 114 8.744 8.744 8.217 0.527 19687 3789 1 6 . 1 1 115 115 SER HA H 115 3.884 3.884 4.226 -0.342 19687 3790 1 6 . 1 1 115 115 SER CA C 115 58.726 58.726 59.984 -1.258 19687 3791 1 6 . 1 1 115 115 SER CB C 115 62.588 62.588 62.625 -0.037 19687 3792 1 6 . 1 1 116 116 GLY N N 116 126.353 126.353 112.609 13.744 19687 3793 1 6 . 1 1 116 116 GLY CA C 116 45.766 45.766 46.024 -0.258 19687 3794 1 6 . 1 1 116 116 GLY H H 116 8.744 8.744 8.137 0.607 19687 3795 1 6 . 1 1 117 117 LYS N N 117 120.735 120.735 118.884 1.851 19687 3796 1 6 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.678 -0.078 19687 3797 1 6 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.887 0.386 19687 3798 1 6 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.855 -0.522 19687 3799 1 6 . 1 1 117 117 LYS H H 117 7.934 7.934 8.218 -0.284 19687 3800 1 6 . 1 1 118 118 VAL N N 118 117.642 117.642 116.680 0.962 19687 3801 1 6 . 1 1 118 118 VAL HA H 118 4.157 4.157 4.950 -0.793 19687 3802 1 6 . 1 1 118 118 VAL CA C 118 61.745 61.745 61.052 0.693 19687 3803 1 6 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.219 0.408 19687 3804 1 6 . 1 1 118 118 VAL H H 118 7.619 7.619 7.669 -0.050 19687 3805 1 6 . 1 1 119 119 PHE N N 119 121.052 121.052 125.278 -4.226 19687 3806 1 6 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.493 -0.280 19687 3807 1 6 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.654 -0.186 19687 3808 1 6 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.857 1.130 19687 3809 1 6 . 1 1 119 119 PHE H H 119 8.860 8.860 8.540 0.320 19687 3810 1 6 . 1 1 120 120 LEU N N 120 117.758 117.758 117.796 -0.038 19687 3811 1 6 . 1 1 120 120 LEU HA H 120 5.102 5.102 5.225 -0.123 19687 3812 1 6 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.263 -1.270 19687 3813 1 6 . 1 1 120 120 LEU CB C 120 44.439 44.439 47.105 -2.667 19687 3814 1 6 . 1 1 120 120 LEU H H 120 8.576 8.576 8.968 -0.392 19687 3815 1 6 . 1 1 121 121 GLN N N 121 116.064 116.064 117.241 -1.177 19687 3816 1 6 . 1 1 121 121 GLN HA H 121 4.289 4.289 4.985 -0.696 19687 3817 1 6 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.632 0.348 19687 3818 1 6 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.690 0.352 19687 3819 1 6 . 1 1 121 121 GLN H H 121 8.481 8.481 8.213 0.268 19687 3820 1 6 . 1 1 122 122 CYS N N 122 120.052 120.052 117.046 3.006 19687 3821 1 6 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.758 0.482 19687 3822 1 6 . 1 1 122 122 CYS CA C 122 54.865 54.865 56.744 -1.879 19687 3823 1 6 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.439 13.061 19687 3824 1 6 . 1 1 122 122 CYS H H 122 9.203 9.203 7.205 1.998 19687 3825 1 6 . 1 1 123 123 GLN N N 123 115.174 115.174 121.487 -6.313 19687 3826 1 6 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.427 -0.006 19687 3827 1 6 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.092 0.590 19687 3828 1 6 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.883 2.730 19687 3829 1 6 . 1 1 123 123 GLN H H 123 8.106 8.106 8.373 -0.267 19687 3830 1 6 . 1 1 124 124 GLU N N 124 120.534 120.534 124.606 -4.072 19687 3831 1 6 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.873 -0.725 19687 3832 1 6 . 1 1 124 124 GLU CA C 124 55.960 55.960 55.105 0.855 19687 3833 1 6 . 1 1 124 124 GLU CB C 124 32.752 32.752 31.419 1.333 19687 3834 1 6 . 1 1 124 124 GLU H H 124 8.578 8.578 8.657 -0.079 19687 3835 1 6 . 1 1 132 132 TYR N N 132 122.981 122.981 118.708 4.273 19687 3836 1 6 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.600 -0.208 19687 3837 1 6 . 1 1 132 132 TYR CA C 132 55.015 55.015 56.400 -1.385 19687 3838 1 6 . 1 1 132 132 TYR H H 132 8.286 8.286 8.146 0.140 19687 3839 1 6 . 1 1 133 133 LEU N N 133 122.894 122.894 122.250 0.644 19687 3840 1 6 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.708 -0.100 19687 3841 1 6 . 1 1 133 133 LEU CA C 133 55.155 55.155 53.826 1.329 19687 3842 1 6 . 1 1 133 133 LEU CB C 133 43.071 43.071 41.818 1.253 19687 3843 1 6 . 1 1 133 133 LEU H H 133 8.102 8.102 8.218 -0.116 19687 3844 1 6 . 1 1 134 134 TRP N N 134 125.713 125.713 128.563 -2.850 19687 3845 1 6 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.330 0.188 19687 3846 1 6 . 1 1 134 134 TRP CA C 134 56.406 56.406 55.369 1.037 19687 3847 1 6 . 1 1 134 134 TRP CB C 134 32.329 32.329 31.697 0.632 19687 3848 1 6 . 1 1 134 134 TRP H H 134 8.763 8.763 8.766 -0.003 19687 3849 1 6 . 1 1 135 135 LYS N N 135 118.492 118.492 129.673 -11.181 19687 3850 1 6 . 1 1 135 135 LYS HA H 135 5.229 5.229 4.811 0.418 19687 3851 1 6 . 1 1 135 135 LYS CA C 135 55.041 55.041 54.083 0.958 19687 3852 1 6 . 1 1 135 135 LYS CB C 135 38.016 38.016 35.543 2.473 19687 3853 1 6 . 1 1 135 135 LYS H H 135 9.321 9.321 8.942 0.379 19687 3854 1 6 . 1 1 136 136 LYS N N 136 121.232 121.232 126.868 -5.636 19687 3855 1 6 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.653 0.038 19687 3856 1 6 . 1 1 136 136 LYS CA C 136 55.145 55.145 55.331 -0.186 19687 3857 1 6 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.848 0.167 19687 3858 1 6 . 1 1 136 136 LYS H H 136 8.509 8.509 7.940 0.569 19687 3859 1 6 . 1 1 137 137 GLY N N 137 116.933 116.933 111.325 5.608 19687 3860 1 6 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.136 0.333 19687 3861 1 6 . 1 1 137 137 GLY H H 137 8.641 8.641 8.577 0.064 19687 3862 1 6 . 1 1 138 138 LYS N N 138 124.712 124.712 117.917 6.795 19687 3863 1 6 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.467 -0.041 19687 3864 1 6 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.406 0.768 19687 3865 1 6 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.708 -0.621 19687 3866 1 6 . 1 1 138 138 LYS H H 138 8.963 8.963 8.176 0.787 19687 3867 1 6 . 1 1 139 139 GLU N N 139 120.229 120.229 118.815 1.414 19687 3868 1 6 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.453 -0.280 19687 3869 1 6 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.540 1.724 19687 3870 1 6 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.265 -0.059 19687 3871 1 6 . 1 1 139 139 GLU H H 139 8.011 8.011 7.563 0.448 19687 3872 1 6 . 1 1 140 140 GLU N N 140 123.311 123.311 124.909 -1.598 19687 3873 1 6 . 1 1 140 140 GLU HA H 140 4.218 4.218 4.089 0.129 19687 3874 1 6 . 1 1 140 140 GLU CA C 140 57.686 57.686 56.913 0.773 19687 3875 1 6 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.337 0.167 19687 3876 1 6 . 1 1 140 140 GLU H H 140 8.811 8.811 8.534 0.277 19687 3877 1 6 . 1 1 141 141 LEU N N 141 121.782 121.782 119.139 2.643 19687 3878 1 6 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.647 -0.195 19687 3879 1 6 . 1 1 141 141 LEU CA C 141 55.216 55.216 54.176 1.040 19687 3880 1 6 . 1 1 141 141 LEU CB C 141 43.211 43.211 42.248 0.962 19687 3881 1 6 . 1 1 141 141 LEU H H 141 9.291 9.291 8.401 0.890 19687 3882 1 6 . 1 1 142 142 GLY N N 142 125.924 125.924 111.486 14.438 19687 3883 1 6 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.355 0.216 19687 3884 1 6 . 1 1 142 142 GLY H H 142 7.060 7.060 8.340 -1.280 19687 3885 1 6 . 1 1 143 143 ASN N N 143 117.181 117.181 117.554 -0.373 19687 3886 1 6 . 1 1 143 143 ASN HA H 143 5.902 5.902 5.112 0.790 19687 3887 1 6 . 1 1 143 143 ASN CA C 143 52.908 52.908 52.788 0.120 19687 3888 1 6 . 1 1 143 143 ASN CB C 143 40.333 40.333 41.508 -1.175 19687 3889 1 6 . 1 1 143 143 ASN H H 143 8.472 8.472 8.347 0.125 19687 3890 1 6 . 1 1 144 144 MET N N 144 117.970 117.970 120.470 -2.500 19687 3891 1 6 . 1 1 144 144 MET HA H 144 4.747 4.747 4.954 -0.207 19687 3892 1 6 . 1 1 144 144 MET CA C 144 56.085 56.085 54.859 1.226 19687 3893 1 6 . 1 1 144 144 MET CB C 144 36.425 36.425 35.184 1.241 19687 3894 1 6 . 1 1 144 144 MET H H 144 9.270 9.270 8.309 0.961 19687 3895 1 6 . 1 1 145 145 ARG N N 145 125.032 125.032 120.577 4.455 19687 3896 1 6 . 1 1 145 145 ARG HA H 145 4.275 4.275 3.737 0.538 19687 3897 1 6 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.054 0.827 19687 3898 1 6 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.416 0.891 19687 3899 1 6 . 1 1 145 145 ARG H H 145 9.085 9.085 8.667 0.418 19687 3900 1 6 . 1 1 146 146 GLN N N 146 112.668 112.668 117.626 -4.958 19687 3901 1 6 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.357 0.547 19687 3902 1 6 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.735 -0.380 19687 3903 1 6 . 1 1 146 146 GLN CB C 146 31.933 31.933 29.733 2.200 19687 3904 1 6 . 1 1 146 146 GLN H H 146 7.599 7.599 7.753 -0.154 19687 3905 1 6 . 1 1 147 147 LEU N N 147 122.152 122.152 127.144 -4.992 19687 3906 1 6 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.128 -0.105 19687 3907 1 6 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.573 -2.352 19687 3908 1 6 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.393 1.309 19687 3909 1 6 . 1 1 147 147 LEU H H 147 8.130 8.130 8.352 -0.222 19687 3910 1 6 . 1 1 148 148 ASP N N 148 124.520 124.520 126.544 -2.024 19687 3911 1 6 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.500 -0.579 19687 3912 1 6 . 1 1 148 148 ASP CA C 148 53.321 53.321 53.018 0.303 19687 3913 1 6 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.148 0.308 19687 3914 1 6 . 1 1 148 148 ASP H H 148 8.008 8.008 8.293 -0.285 19687 3915 1 6 . 1 1 149 149 LEU N N 149 124.941 124.941 122.202 2.739 19687 3916 1 6 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.545 -0.632 19687 3917 1 6 . 1 1 149 149 LEU CA C 149 54.188 54.188 52.858 1.330 19687 3918 1 6 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.386 1.912 19687 3919 1 6 . 1 1 149 149 LEU H H 149 8.790 8.790 8.036 0.754 19687 3920 1 6 . 1 1 150 150 GLY N N 150 108.901 108.901 106.413 2.488 19687 3921 1 6 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.667 -1.137 19687 3922 1 6 . 1 1 150 150 GLY H H 150 8.744 8.744 7.028 1.716 19687 3923 1 6 . 1 1 151 151 ALA N N 151 118.338 118.338 120.362 -2.024 19687 3924 1 6 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.641 -0.407 19687 3925 1 6 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.337 3.033 19687 3926 1 6 . 1 1 151 151 ALA CB C 151 19.150 19.150 21.992 -2.842 19687 3927 1 6 . 1 1 151 151 ALA H H 151 8.167 8.167 7.904 0.263 19687 3928 1 6 . 1 1 152 152 ILE N N 152 121.825 121.825 120.812 1.013 19687 3929 1 6 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.891 -0.981 19687 3930 1 6 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.656 0.909 19687 3931 1 6 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.761 0.827 19687 3932 1 6 . 1 1 152 152 ILE H H 152 8.269 8.269 8.042 0.227 19687 3933 1 6 . 1 1 153 153 TYR N N 153 109.544 109.544 116.789 -7.245 19687 3934 1 6 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.517 -0.398 19687 3935 1 6 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.588 1.010 19687 3936 1 6 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.497 -1.139 19687 3937 1 6 . 1 1 153 153 TYR H H 153 6.757 6.757 7.675 -0.918 19687 3938 1 6 . 1 1 154 154 ASP N N 154 117.255 117.255 121.425 -4.170 19687 3939 1 6 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.645 0.059 19687 3940 1 6 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.942 2.955 19687 3941 1 6 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.913 0.820 19687 3942 1 6 . 1 1 154 154 ASP H H 154 7.092 7.092 7.345 -0.253 19687 3943 1 6 . 1 1 155 155 ASP N N 155 115.759 115.759 121.125 -5.366 19687 3944 1 6 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.804 -0.571 19687 3945 1 6 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.579 1.921 19687 3946 1 6 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.091 -0.624 19687 3947 1 6 . 1 1 155 155 ASP H H 155 7.855 7.855 7.634 0.221 19687 3948 1 6 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.399 -0.248 19687 3949 1 6 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.441 1.044 19687 3950 1 6 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.577 -0.885 19687 3951 1 6 . 1 1 157 157 ARG N N 157 115.980 115.980 120.705 -4.725 19687 3952 1 6 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.661 0.480 19687 3953 1 6 . 1 1 157 157 ARG CA C 157 54.793 54.793 55.445 -0.652 19687 3954 1 6 . 1 1 157 157 ARG CB C 157 34.607 34.607 30.992 3.615 19687 3955 1 6 . 1 1 157 157 ARG H H 157 7.888 7.888 8.748 -0.860 19687 3956 1 6 . 1 1 158 158 GLY N N 158 106.901 106.901 106.641 0.260 19687 3957 1 6 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.675 0.936 19687 3958 1 6 . 1 1 158 158 GLY H H 158 8.344 8.344 8.038 0.306 19687 3959 1 6 . 1 1 159 159 THR N N 159 116.699 116.699 116.289 0.410 19687 3960 1 6 . 1 1 159 159 THR CA C 159 63.319 63.319 62.757 0.562 19687 3961 1 6 . 1 1 159 159 THR CB C 159 69.870 69.870 70.483 -0.613 19687 3962 1 6 . 1 1 159 159 THR H H 159 8.228 8.228 8.224 0.004 19687 3963 1 6 . 1 1 160 160 TYR N N 160 123.979 123.979 122.949 1.030 19687 3964 1 6 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.200 0.154 19687 3965 1 6 . 1 1 160 160 TYR CA C 160 57.629 57.629 54.625 3.004 19687 3966 1 6 . 1 1 160 160 TYR CB C 160 43.854 43.854 40.954 2.900 19687 3967 1 6 . 1 1 160 160 TYR H H 160 8.782 8.782 8.263 0.519 19687 3968 1 6 . 1 1 161 161 THR N N 161 115.752 115.752 115.609 0.143 19687 3969 1 6 . 1 1 161 161 THR HA H 161 5.509 5.509 5.078 0.431 19687 3970 1 6 . 1 1 161 161 THR CA C 161 61.354 61.354 61.582 -0.228 19687 3971 1 6 . 1 1 161 161 THR CB C 161 73.921 73.921 70.612 3.309 19687 3972 1 6 . 1 1 161 161 THR H H 161 9.096 9.096 9.064 0.032 19687 3973 1 6 . 1 1 162 162 CYS N N 162 119.476 119.476 127.033 -7.557 19687 3974 1 6 . 1 1 162 162 CYS HA H 162 4.533 4.533 5.544 -1.011 19687 3975 1 6 . 1 1 162 162 CYS CA C 162 52.737 52.737 56.488 -3.751 19687 3976 1 6 . 1 1 162 162 CYS CB C 162 43.843 43.843 29.272 14.571 19687 3977 1 6 . 1 1 162 162 CYS H H 162 8.580 8.580 9.052 -0.472 19687 3978 1 6 . 1 1 163 163 GLN N N 163 120.977 120.977 123.931 -2.954 19687 3979 1 6 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.466 0.482 19687 3980 1 6 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.538 -0.322 19687 3981 1 6 . 1 1 163 163 GLN CB C 163 33.242 33.242 33.174 0.068 19687 3982 1 6 . 1 1 163 163 GLN H H 163 9.218 9.218 8.333 0.885 19687 3983 1 6 . 1 1 164 164 ARG N N 164 123.963 123.963 120.407 3.556 19687 3984 1 6 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.411 -0.193 19687 3985 1 6 . 1 1 164 164 ARG CA C 164 57.103 57.103 56.085 1.018 19687 3986 1 6 . 1 1 164 164 ARG CB C 164 32.737 32.737 29.123 3.614 19687 3987 1 6 . 1 1 164 164 ARG H H 164 8.546 8.546 8.447 0.099 19687 3988 1 6 . 1 1 165 165 ASP N N 165 115.195 115.195 119.806 -4.611 19687 3989 1 6 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.779 -0.110 19687 3990 1 6 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.977 0.954 19687 3991 1 6 . 1 1 165 165 ASP CB C 165 41.643 41.643 44.224 -2.581 19687 3992 1 6 . 1 1 165 165 ASP H H 165 8.040 8.040 7.737 0.303 19687 3993 1 6 . 1 1 166 166 GLU N N 166 113.922 113.922 118.469 -4.547 19687 3994 1 6 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.113 -0.364 19687 3995 1 6 . 1 1 166 166 GLU CA C 166 59.194 59.194 57.594 1.600 19687 3996 1 6 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.965 -0.479 19687 3997 1 6 . 1 1 166 166 GLU H H 166 8.745 8.745 8.712 0.033 19687 3998 1 6 . 1 1 167 167 ASN N N 167 113.556 113.556 112.613 0.943 19687 3999 1 6 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.793 -0.193 19687 4000 1 6 . 1 1 167 167 ASN CA C 167 54.283 54.283 51.744 2.539 19687 4001 1 6 . 1 1 167 167 ASN CB C 167 40.577 40.577 37.777 2.800 19687 4002 1 6 . 1 1 167 167 ASN H H 167 8.540 8.540 7.725 0.815 19687 4003 1 6 . 1 1 168 168 VAL N N 168 120.903 120.903 115.337 5.566 19687 4004 1 6 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.665 0.277 19687 4005 1 6 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.643 -0.472 19687 4006 1 6 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.821 1.080 19687 4007 1 6 . 1 1 168 168 VAL H H 168 7.818 7.818 7.388 0.430 19687 4008 1 6 . 1 1 169 169 ASN N N 169 120.789 120.789 121.740 -0.951 19687 4009 1 6 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.654 0.309 19687 4010 1 6 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.450 -0.723 19687 4011 1 6 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.327 1.913 19687 4012 1 6 . 1 1 169 169 ASN H H 169 8.104 8.104 8.766 -0.662 19687 4013 1 6 . 1 1 170 170 SER N N 170 111.999 111.999 117.643 -5.644 19687 4014 1 6 . 1 1 170 170 SER HA H 170 4.505 4.505 4.549 -0.044 19687 4015 1 6 . 1 1 170 170 SER CA C 170 59.066 59.066 59.364 -0.298 19687 4016 1 6 . 1 1 170 170 SER CB C 170 65.677 65.677 63.145 2.533 19687 4017 1 6 . 1 1 170 170 SER H H 170 8.104 8.104 8.134 -0.030 19687 4018 1 6 . 1 1 171 171 THR N N 171 121.052 121.052 123.892 -2.840 19687 4019 1 6 . 1 1 171 171 THR HA H 171 5.430 5.430 4.448 0.982 19687 4020 1 6 . 1 1 171 171 THR CA C 171 62.194 62.194 62.210 -0.016 19687 4021 1 6 . 1 1 171 171 THR CB C 171 72.220 72.220 68.494 3.726 19687 4022 1 6 . 1 1 171 171 THR H H 171 8.397 8.397 8.301 0.096 19687 4023 1 6 . 1 1 172 172 LEU N N 172 130.063 130.063 129.190 0.873 19687 4024 1 6 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.763 -0.045 19687 4025 1 6 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.428 1.404 19687 4026 1 6 . 1 1 172 172 LEU CB C 172 48.599 48.599 43.649 4.950 19687 4027 1 6 . 1 1 172 172 LEU H H 172 9.515 9.515 9.124 0.391 19687 4028 1 6 . 1 1 173 173 HIS CB C 173 27.207 27.207 32.508 -5.301 19687 4029 1 6 . 1 1 176 176 TYR N N 176 130.457 130.457 121.239 9.218 19687 4030 1 6 . 1 1 176 176 TYR HA H 176 4.886 4.886 4.966 -0.080 19687 4031 1 6 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.706 1.922 19687 4032 1 6 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.628 -0.427 19687 4033 1 6 . 1 1 176 176 TYR H H 176 7.851 7.851 8.048 -0.197 19687 4034 1 6 . 1 1 177 177 ARG N N 177 123.397 123.397 123.004 0.393 19687 4035 1 6 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.620 -0.409 19687 4036 1 6 . 1 1 177 177 ARG CA C 177 55.855 55.855 55.632 0.223 19687 4037 1 6 . 1 1 177 177 ARG CB C 177 31.076 31.076 32.748 -1.672 19687 4038 1 6 . 1 1 177 177 ARG H H 177 8.591 8.591 8.846 -0.255 19687 4039 1 7 . 1 1 5 5 GLY CA C 5 45.663 45.663 45.243 0.420 19687 4040 1 7 . 1 1 6 6 GLN N N 6 117.952 117.952 123.179 -5.227 19687 4041 1 7 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.424 -0.225 19687 4042 1 7 . 1 1 6 6 GLN CA C 6 55.767 55.767 54.732 1.035 19687 4043 1 7 . 1 1 6 6 GLN CB C 6 30.183 30.183 30.984 -0.801 19687 4044 1 7 . 1 1 6 6 GLN H H 6 8.143 8.143 8.177 -0.034 19687 4045 1 7 . 1 1 7 7 GLU N N 7 120.150 120.150 118.063 2.087 19687 4046 1 7 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.557 -0.467 19687 4047 1 7 . 1 1 7 7 GLU CA C 7 57.080 57.080 55.925 1.155 19687 4048 1 7 . 1 1 7 7 GLU CB C 7 30.461 30.461 30.365 0.096 19687 4049 1 7 . 1 1 7 7 GLU H H 7 8.468 8.468 8.322 0.146 19687 4050 1 7 . 1 1 8 8 GLU N N 8 117.498 117.498 121.819 -4.321 19687 4051 1 7 . 1 1 8 8 GLU HA H 8 4.440 4.440 3.999 0.441 19687 4052 1 7 . 1 1 8 8 GLU CA C 8 55.256 55.256 59.212 -3.955 19687 4053 1 7 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.914 3.891 19687 4054 1 7 . 1 1 8 8 GLU H H 8 7.997 7.997 8.741 -0.744 19687 4055 1 7 . 1 1 9 9 PHE N N 9 121.043 121.043 116.655 4.388 19687 4056 1 7 . 1 1 9 9 PHE H H 9 8.459 8.459 7.638 0.821 19687 4057 1 7 . 1 1 10 10 ALA N N 10 120.252 120.252 118.551 1.701 19687 4058 1 7 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.151 0.451 19687 4059 1 7 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.492 -1.342 19687 4060 1 7 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.410 3.890 19687 4061 1 7 . 1 1 10 10 ALA H H 10 7.566 7.566 8.343 -0.777 19687 4062 1 7 . 1 1 11 11 VAL N N 11 119.476 119.476 117.849 1.627 19687 4063 1 7 . 1 1 11 11 VAL HA H 11 4.234 4.234 5.156 -0.922 19687 4064 1 7 . 1 1 11 11 VAL CA C 11 61.953 61.953 59.687 2.266 19687 4065 1 7 . 1 1 11 11 VAL CB C 11 35.067 35.067 33.215 1.852 19687 4066 1 7 . 1 1 11 11 VAL H H 11 8.440 8.440 8.381 0.059 19687 4067 1 7 . 1 1 12 12 GLU N N 12 126.837 126.837 125.529 1.308 19687 4068 1 7 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.712 -0.164 19687 4069 1 7 . 1 1 12 12 GLU CA C 12 55.013 55.013 54.724 0.289 19687 4070 1 7 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.322 1.201 19687 4071 1 7 . 1 1 12 12 GLU H H 12 8.787 8.787 8.484 0.303 19687 4072 1 7 . 1 1 13 13 ILE N N 13 124.712 124.712 127.496 -2.784 19687 4073 1 7 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.105 0.403 19687 4074 1 7 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.978 -1.378 19687 4075 1 7 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.729 1.171 19687 4076 1 7 . 1 1 13 13 ILE H H 13 8.753 8.753 8.657 0.096 19687 4077 1 7 . 1 1 14 14 SER N N 14 121.782 121.782 121.409 0.373 19687 4078 1 7 . 1 1 14 14 SER HA H 14 4.607 4.607 4.622 -0.015 19687 4079 1 7 . 1 1 14 14 SER CA C 14 56.398 56.398 57.773 -1.375 19687 4080 1 7 . 1 1 14 14 SER CB C 14 63.918 63.918 65.063 -1.145 19687 4081 1 7 . 1 1 14 14 SER H H 14 8.475 8.475 8.578 -0.103 19687 4082 1 7 . 1 1 15 15 GLY CA C 15 47.494 47.494 45.923 1.571 19687 4083 1 7 . 1 1 16 16 THR N N 16 114.515 114.515 107.842 6.673 19687 4084 1 7 . 1 1 16 16 THR HA H 16 4.197 4.197 3.953 0.244 19687 4085 1 7 . 1 1 16 16 THR CA C 16 61.600 61.600 63.795 -2.195 19687 4086 1 7 . 1 1 16 16 THR CB C 16 68.800 68.800 67.763 1.037 19687 4087 1 7 . 1 1 16 16 THR H H 16 8.636 8.636 8.264 0.372 19687 4088 1 7 . 1 1 17 17 THR N N 17 118.332 118.332 115.861 2.471 19687 4089 1 7 . 1 1 17 17 THR HA H 17 5.004 5.004 5.204 -0.200 19687 4090 1 7 . 1 1 17 17 THR CA C 17 62.095 62.095 61.702 0.393 19687 4091 1 7 . 1 1 17 17 THR CB C 17 70.105 70.105 71.391 -1.286 19687 4092 1 7 . 1 1 17 17 THR H H 17 8.353 8.353 7.429 0.924 19687 4093 1 7 . 1 1 18 18 VAL N N 18 127.794 127.794 129.283 -1.489 19687 4094 1 7 . 1 1 18 18 VAL HA H 18 4.580 4.580 4.996 -0.416 19687 4095 1 7 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.020 2.279 19687 4096 1 7 . 1 1 18 18 VAL CB C 18 34.365 34.365 34.941 -0.576 19687 4097 1 7 . 1 1 18 18 VAL H H 18 8.843 8.843 8.306 0.537 19687 4098 1 7 . 1 1 19 19 THR N N 19 121.651 121.651 121.655 -0.004 19687 4099 1 7 . 1 1 19 19 THR CA C 19 62.635 62.635 60.630 2.005 19687 4100 1 7 . 1 1 19 19 THR CB C 19 69.854 69.854 70.757 -0.903 19687 4101 1 7 . 1 1 19 19 THR H H 19 8.953 8.953 8.748 0.205 19687 4102 1 7 . 1 1 20 20 ILE N N 20 106.781 106.781 121.036 -14.255 19687 4103 1 7 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.698 -0.635 19687 4104 1 7 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.304 0.011 19687 4105 1 7 . 1 1 20 20 ILE CB C 20 41.200 41.200 40.883 0.317 19687 4106 1 7 . 1 1 20 20 ILE H H 20 9.426 9.426 8.144 1.282 19687 4107 1 7 . 1 1 21 21 THR N N 21 121.256 121.256 123.040 -1.784 19687 4108 1 7 . 1 1 21 21 THR HA H 21 5.160 5.160 4.934 0.226 19687 4109 1 7 . 1 1 21 21 THR CA C 21 62.116 62.116 63.119 -1.003 19687 4110 1 7 . 1 1 21 21 THR CB C 21 70.105 70.105 70.036 0.069 19687 4111 1 7 . 1 1 21 21 THR H H 21 9.245 9.245 8.416 0.829 19687 4112 1 7 . 1 1 22 22 CYS N N 22 123.311 123.311 125.208 -1.897 19687 4113 1 7 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.407 -1.686 19687 4114 1 7 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.277 -1.344 19687 4115 1 7 . 1 1 22 22 CYS CB C 22 41.093 41.093 28.279 12.814 19687 4116 1 7 . 1 1 22 22 CYS H H 22 8.930 8.930 8.185 0.745 19687 4117 1 7 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.191 -0.521 19687 4118 1 7 . 1 1 23 23 PRO CA C 23 64.466 64.466 62.974 1.492 19687 4119 1 7 . 1 1 23 23 PRO CB C 23 31.647 31.647 32.018 -0.371 19687 4120 1 7 . 1 1 24 24 SER N N 24 107.893 107.893 114.747 -6.854 19687 4121 1 7 . 1 1 24 24 SER HA H 24 4.289 4.289 4.291 -0.002 19687 4122 1 7 . 1 1 24 24 SER CA C 24 58.121 58.121 59.261 -1.140 19687 4123 1 7 . 1 1 24 24 SER CB C 24 65.762 65.762 63.565 2.197 19687 4124 1 7 . 1 1 24 24 SER H H 24 6.307 6.307 7.267 -0.960 19687 4125 1 7 . 1 1 25 25 SER N N 25 113.836 113.836 116.403 -2.567 19687 4126 1 7 . 1 1 25 25 SER HA H 25 4.469 4.469 4.260 0.209 19687 4127 1 7 . 1 1 25 25 SER CA C 25 57.103 57.103 60.659 -3.556 19687 4128 1 7 . 1 1 25 25 SER CB C 25 65.185 65.185 63.732 1.453 19687 4129 1 7 . 1 1 25 25 SER H H 25 8.121 8.121 8.419 -0.298 19687 4130 1 7 . 1 1 26 26 GLY N N 26 107.245 107.245 106.901 0.344 19687 4131 1 7 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.081 0.195 19687 4132 1 7 . 1 1 26 26 GLY H H 26 8.194 8.194 8.153 0.041 19687 4133 1 7 . 1 1 27 27 ASP N N 27 116.002 116.002 121.404 -5.402 19687 4134 1 7 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.574 -0.105 19687 4135 1 7 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.729 0.494 19687 4136 1 7 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.721 0.187 19687 4137 1 7 . 1 1 27 27 ASP H H 27 8.186 8.186 8.811 -0.625 19687 4138 1 7 . 1 1 28 28 ASP N N 28 117.805 117.805 119.720 -1.915 19687 4139 1 7 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.745 -0.240 19687 4140 1 7 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.387 0.427 19687 4141 1 7 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.206 0.684 19687 4142 1 7 . 1 1 28 28 ASP H H 28 8.319 8.319 7.993 0.326 19687 4143 1 7 . 1 1 29 29 ILE N N 29 120.506 120.506 121.392 -0.886 19687 4144 1 7 . 1 1 29 29 ILE HA H 29 4.190 4.190 3.937 0.253 19687 4145 1 7 . 1 1 29 29 ILE CA C 29 61.156 61.156 62.394 -1.238 19687 4146 1 7 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.181 0.186 19687 4147 1 7 . 1 1 29 29 ILE H H 29 7.913 7.913 7.809 0.104 19687 4148 1 7 . 1 1 30 30 LYS N N 30 125.490 125.490 127.362 -1.872 19687 4149 1 7 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.601 0.165 19687 4150 1 7 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.741 0.012 19687 4151 1 7 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.201 2.284 19687 4152 1 7 . 1 1 30 30 LYS H H 30 8.177 8.177 7.948 0.229 19687 4153 1 7 . 1 1 31 31 TRP N N 31 121.968 121.968 126.053 -4.085 19687 4154 1 7 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.652 0.646 19687 4155 1 7 . 1 1 31 31 TRP CA C 31 57.573 57.573 57.965 -0.392 19687 4156 1 7 . 1 1 31 31 TRP CB C 31 34.076 34.076 30.552 3.524 19687 4157 1 7 . 1 1 31 31 TRP H H 31 8.752 8.752 8.743 0.009 19687 4158 1 7 . 1 1 32 32 LYS N N 32 118.343 118.343 116.755 1.588 19687 4159 1 7 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.745 -0.522 19687 4160 1 7 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.727 -2.130 19687 4161 1 7 . 1 1 32 32 LYS CB C 32 35.485 35.485 31.366 4.119 19687 4162 1 7 . 1 1 32 32 LYS H H 32 8.876 8.876 8.491 0.385 19687 4163 1 7 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.205 0.092 19687 4164 1 7 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.233 -0.941 19687 4165 1 7 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.783 3.709 19687 4166 1 7 . 1 1 34 34 ASP N N 34 119.044 119.044 114.572 4.472 19687 4167 1 7 . 1 1 34 34 ASP HA H 34 5.342 5.342 4.971 0.371 19687 4168 1 7 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.287 -1.336 19687 4169 1 7 . 1 1 34 34 ASP CB C 34 42.122 42.122 40.835 1.287 19687 4170 1 7 . 1 1 34 34 ASP H H 34 8.039 8.039 8.329 -0.290 19687 4171 1 7 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.451 -0.117 19687 4172 1 7 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.512 0.625 19687 4173 1 7 . 1 1 35 35 PRO CB C 35 32.892 32.892 31.987 0.905 19687 4174 1 7 . 1 1 36 36 ALA N N 36 117.764 117.764 120.895 -3.131 19687 4175 1 7 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.112 0.015 19687 4176 1 7 . 1 1 36 36 ALA CA C 36 54.475 54.475 54.017 0.458 19687 4177 1 7 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.892 0.023 19687 4178 1 7 . 1 1 36 36 ALA H H 36 8.126 8.126 8.084 0.042 19687 4179 1 7 . 1 1 37 37 LEU N N 37 115.927 115.927 111.883 4.044 19687 4180 1 7 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.449 -0.529 19687 4181 1 7 . 1 1 37 37 LEU CA C 37 55.427 55.427 52.915 2.512 19687 4182 1 7 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.117 -2.540 19687 4183 1 7 . 1 1 37 37 LEU H H 37 7.576 7.576 7.198 0.378 19687 4184 1 7 . 1 1 38 38 GLY N N 38 127.283 127.283 107.902 19.381 19687 4185 1 7 . 1 1 38 38 GLY CA C 38 45.399 45.399 43.877 1.522 19687 4186 1 7 . 1 1 38 38 GLY H H 38 7.341 7.341 7.505 -0.164 19687 4187 1 7 . 1 1 39 39 ASP N N 39 122.925 122.925 124.858 -1.933 19687 4188 1 7 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.667 -0.108 19687 4189 1 7 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.376 0.357 19687 4190 1 7 . 1 1 39 39 ASP CB C 39 42.088 42.088 44.015 -1.927 19687 4191 1 7 . 1 1 39 39 ASP H H 39 9.095 9.095 8.200 0.895 19687 4192 1 7 . 1 1 40 40 ASN N N 40 122.444 122.444 118.544 3.900 19687 4193 1 7 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.398 -0.073 19687 4194 1 7 . 1 1 40 40 ASN CA C 40 56.339 56.339 56.702 -0.363 19687 4195 1 7 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.946 -0.509 19687 4196 1 7 . 1 1 40 40 ASN H H 40 9.267 9.267 8.926 0.341 19687 4197 1 7 . 1 1 41 41 ASN N N 41 119.328 119.328 110.388 8.940 19687 4198 1 7 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.971 -0.537 19687 4199 1 7 . 1 1 41 41 ASN CA C 41 55.053 55.053 52.748 2.305 19687 4200 1 7 . 1 1 41 41 ASN CB C 41 37.768 37.768 39.839 -2.071 19687 4201 1 7 . 1 1 41 41 ASN H H 41 8.661 8.661 7.862 0.799 19687 4202 1 7 . 1 1 42 42 LYS N N 42 119.592 119.592 121.259 -1.667 19687 4203 1 7 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.130 0.456 19687 4204 1 7 . 1 1 42 42 LYS CA C 42 54.984 54.984 56.582 -1.598 19687 4205 1 7 . 1 1 42 42 LYS CB C 42 36.822 36.822 35.502 1.320 19687 4206 1 7 . 1 1 42 42 LYS H H 42 8.195 8.195 7.731 0.464 19687 4207 1 7 . 1 1 43 43 TYR N N 43 123.577 123.577 129.717 -6.140 19687 4208 1 7 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.190 -0.415 19687 4209 1 7 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.816 0.556 19687 4210 1 7 . 1 1 43 43 TYR CB C 43 40.262 40.262 37.887 2.375 19687 4211 1 7 . 1 1 43 43 TYR H H 43 8.661 8.661 9.234 -0.573 19687 4212 1 7 . 1 1 44 44 ILE N N 44 124.735 124.735 127.556 -2.821 19687 4213 1 7 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.006 0.553 19687 4214 1 7 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.725 1.488 19687 4215 1 7 . 1 1 44 44 ILE CB C 44 40.192 40.192 38.221 1.971 19687 4216 1 7 . 1 1 44 44 ILE H H 44 7.239 7.239 7.588 -0.349 19687 4217 1 7 . 1 1 45 45 ILE N N 45 126.245 126.245 126.464 -0.219 19687 4218 1 7 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.328 -0.454 19687 4219 1 7 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.359 0.193 19687 4220 1 7 . 1 1 45 45 ILE CB C 45 39.520 39.520 39.881 -0.361 19687 4221 1 7 . 1 1 45 45 ILE H H 45 8.984 8.984 8.155 0.829 19687 4222 1 7 . 1 1 46 46 GLN N N 46 122.581 122.581 124.431 -1.850 19687 4223 1 7 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.969 -0.770 19687 4224 1 7 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.746 1.461 19687 4225 1 7 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.519 -2.383 19687 4226 1 7 . 1 1 46 46 GLN H H 46 8.356 8.356 8.468 -0.112 19687 4227 1 7 . 1 1 47 47 ASN N N 47 116.902 116.902 117.425 -0.523 19687 4228 1 7 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.341 -0.133 19687 4229 1 7 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.364 -0.944 19687 4230 1 7 . 1 1 47 47 ASN CB C 47 37.945 37.945 38.255 -0.310 19687 4231 1 7 . 1 1 47 47 ASN H H 47 9.115 9.115 8.914 0.201 19687 4232 1 7 . 1 1 48 48 HIS N N 48 117.711 117.711 118.317 -0.606 19687 4233 1 7 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.340 0.012 19687 4234 1 7 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.586 0.087 19687 4235 1 7 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.782 1.266 19687 4236 1 7 . 1 1 48 48 HIS H H 48 8.727 8.727 8.292 0.435 19687 4237 1 7 . 1 1 49 49 ASP N N 49 124.049 124.049 120.653 3.396 19687 4238 1 7 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.722 -0.523 19687 4239 1 7 . 1 1 49 49 ASP CA C 49 53.810 53.810 52.739 1.071 19687 4240 1 7 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.458 -2.226 19687 4241 1 7 . 1 1 49 49 ASP H H 49 7.339 7.339 7.708 -0.369 19687 4242 1 7 . 1 1 50 50 SER N N 50 100.425 100.425 119.045 -18.620 19687 4243 1 7 . 1 1 50 50 SER HA H 50 4.100 4.100 4.362 -0.262 19687 4244 1 7 . 1 1 50 50 SER CA C 50 54.542 54.542 59.598 -5.056 19687 4245 1 7 . 1 1 50 50 SER CB C 50 61.489 61.489 62.262 -0.773 19687 4246 1 7 . 1 1 50 50 SER H H 50 5.420 5.420 8.604 -3.184 19687 4247 1 7 . 1 1 51 51 SER N N 51 115.785 115.785 119.674 -3.889 19687 4248 1 7 . 1 1 51 51 SER HA H 51 4.619 4.619 4.830 -0.211 19687 4249 1 7 . 1 1 51 51 SER CA C 51 57.320 57.320 56.681 0.639 19687 4250 1 7 . 1 1 51 51 SER CB C 51 63.171 63.171 64.449 -1.278 19687 4251 1 7 . 1 1 51 51 SER H H 51 7.543 7.543 8.066 -0.523 19687 4252 1 7 . 1 1 52 52 PRO HA H 52 4.443 4.443 5.034 -0.591 19687 4253 1 7 . 1 1 52 52 PRO CA C 52 63.741 63.741 62.075 1.666 19687 4254 1 7 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.747 0.074 19687 4255 1 7 . 1 1 53 53 LEU N N 53 120.506 120.506 112.691 7.815 19687 4256 1 7 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.361 0.164 19687 4257 1 7 . 1 1 53 53 LEU CA C 53 54.700 54.700 55.116 -0.416 19687 4258 1 7 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.873 2.427 19687 4259 1 7 . 1 1 53 53 LEU H H 53 8.243 8.243 7.606 0.637 19687 4260 1 7 . 1 1 54 54 THR N N 54 116.375 116.375 119.522 -3.147 19687 4261 1 7 . 1 1 54 54 THR HA H 54 5.307 5.307 4.594 0.713 19687 4262 1 7 . 1 1 54 54 THR CA C 54 61.956 61.956 62.427 -0.471 19687 4263 1 7 . 1 1 54 54 THR CB C 54 70.170 70.170 68.479 1.691 19687 4264 1 7 . 1 1 54 54 THR H H 54 7.839 7.839 8.259 -0.420 19687 4265 1 7 . 1 1 55 55 VAL N N 55 123.311 123.311 128.401 -5.090 19687 4266 1 7 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.245 0.521 19687 4267 1 7 . 1 1 55 55 VAL CA C 55 59.677 59.677 59.670 0.007 19687 4268 1 7 . 1 1 55 55 VAL CB C 55 35.987 35.987 33.605 2.381 19687 4269 1 7 . 1 1 55 55 VAL H H 55 8.941 8.941 9.060 -0.119 19687 4270 1 7 . 1 1 56 56 SER N N 56 115.664 115.664 123.366 -7.702 19687 4271 1 7 . 1 1 56 56 SER HA H 56 5.811 5.811 5.399 0.412 19687 4272 1 7 . 1 1 56 56 SER CA C 56 56.606 56.606 57.077 -0.471 19687 4273 1 7 . 1 1 56 56 SER CB C 56 67.712 67.712 65.641 2.071 19687 4274 1 7 . 1 1 56 56 SER H H 56 8.748 8.748 8.533 0.215 19687 4275 1 7 . 1 1 57 57 CYS N N 57 113.093 113.093 117.187 -4.094 19687 4276 1 7 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.313 0.643 19687 4277 1 7 . 1 1 57 57 CYS CA C 57 53.136 53.136 59.311 -6.175 19687 4278 1 7 . 1 1 57 57 CYS CB C 57 48.859 48.859 30.731 18.128 19687 4279 1 7 . 1 1 57 57 CYS H H 57 8.766 8.766 8.574 0.192 19687 4280 1 7 . 1 1 58 58 THR N N 58 115.221 115.221 122.904 -7.683 19687 4281 1 7 . 1 1 58 58 THR HA H 58 4.829 4.829 4.874 -0.045 19687 4282 1 7 . 1 1 58 58 THR CA C 58 61.394 61.394 61.578 -0.184 19687 4283 1 7 . 1 1 58 58 THR CB C 58 70.872 70.872 70.481 0.391 19687 4284 1 7 . 1 1 58 58 THR H H 58 8.440 8.440 8.028 0.412 19687 4285 1 7 . 1 1 59 59 ALA N N 59 128.540 128.540 129.792 -1.252 19687 4286 1 7 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.869 -0.427 19687 4287 1 7 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.253 0.408 19687 4288 1 7 . 1 1 59 59 ALA CB C 59 21.230 21.230 20.172 1.058 19687 4289 1 7 . 1 1 59 59 ALA H H 59 8.489 8.489 7.938 0.551 19687 4290 1 7 . 1 1 60 60 GLY N N 60 114.199 114.199 114.687 -0.488 19687 4291 1 7 . 1 1 60 60 GLY CA C 60 47.668 47.668 46.982 0.686 19687 4292 1 7 . 1 1 60 60 GLY H H 60 9.072 9.072 8.588 0.484 19687 4293 1 7 . 1 1 61 61 ASP N N 61 122.847 122.847 125.328 -2.481 19687 4294 1 7 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.835 -0.483 19687 4295 1 7 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.301 1.304 19687 4296 1 7 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.190 0.088 19687 4297 1 7 . 1 1 61 61 ASP H H 61 8.553 8.553 8.332 0.221 19687 4298 1 7 . 1 1 62 62 GLN N N 62 117.800 117.800 118.872 -1.072 19687 4299 1 7 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.522 -0.332 19687 4300 1 7 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.676 0.680 19687 4301 1 7 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.341 -1.065 19687 4302 1 7 . 1 1 62 62 GLN H H 62 7.703 7.703 7.461 0.242 19687 4303 1 7 . 1 1 63 63 GLU N N 63 123.165 123.165 121.116 2.049 19687 4304 1 7 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.078 -0.438 19687 4305 1 7 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.555 -0.090 19687 4306 1 7 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.673 0.930 19687 4307 1 7 . 1 1 63 63 GLU H H 63 8.143 8.143 8.483 -0.340 19687 4308 1 7 . 1 1 64 64 HIS N N 64 125.182 125.182 125.377 -0.195 19687 4309 1 7 . 1 1 64 64 HIS HA H 64 4.764 4.764 4.930 -0.166 19687 4310 1 7 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.632 -0.354 19687 4311 1 7 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.251 -0.151 19687 4312 1 7 . 1 1 64 64 HIS H H 64 8.925 8.925 8.629 0.296 19687 4313 1 7 . 1 1 65 65 THR N N 65 120.044 120.044 113.177 6.867 19687 4314 1 7 . 1 1 65 65 THR HA H 65 4.996 4.996 5.448 -0.452 19687 4315 1 7 . 1 1 65 65 THR CA C 65 63.303 63.303 60.228 3.075 19687 4316 1 7 . 1 1 65 65 THR CB C 65 71.145 71.145 71.935 -0.790 19687 4317 1 7 . 1 1 65 65 THR H H 65 9.376 9.376 9.418 -0.042 19687 4318 1 7 . 1 1 66 66 MET N N 66 126.414 126.414 121.328 5.086 19687 4319 1 7 . 1 1 66 66 MET HA H 66 5.512 5.512 5.120 0.392 19687 4320 1 7 . 1 1 66 66 MET CA C 66 52.610 52.610 55.142 -2.532 19687 4321 1 7 . 1 1 66 66 MET CB C 66 36.065 36.065 37.432 -1.367 19687 4322 1 7 . 1 1 66 66 MET H H 66 9.422 9.422 9.211 0.211 19687 4323 1 7 . 1 1 67 67 TYR N N 67 124.879 124.879 123.299 1.580 19687 4324 1 7 . 1 1 67 67 TYR HA H 67 4.807 4.807 5.171 -0.364 19687 4325 1 7 . 1 1 67 67 TYR CA C 67 57.601 57.601 57.602 -0.001 19687 4326 1 7 . 1 1 67 67 TYR CB C 67 40.700 40.700 40.315 0.385 19687 4327 1 7 . 1 1 67 67 TYR H H 67 9.023 9.023 8.814 0.209 19687 4328 1 7 . 1 1 68 68 LEU N N 68 127.991 127.991 129.994 -2.003 19687 4329 1 7 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.705 0.078 19687 4330 1 7 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.754 -0.959 19687 4331 1 7 . 1 1 68 68 LEU CB C 68 44.966 44.966 43.441 1.526 19687 4332 1 7 . 1 1 68 68 LEU H H 68 8.714 8.714 8.933 -0.219 19687 4333 1 7 . 1 1 69 69 ASN N N 69 125.992 125.992 123.473 2.519 19687 4334 1 7 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.594 -1.136 19687 4335 1 7 . 1 1 69 69 ASN CA C 69 51.307 51.307 52.110 -0.803 19687 4336 1 7 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.525 -2.629 19687 4337 1 7 . 1 1 69 69 ASN H H 69 8.369 8.369 8.432 -0.063 19687 4338 1 7 . 1 1 70 70 ALA N N 70 122.336 122.336 124.963 -2.627 19687 4339 1 7 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.779 -0.067 19687 4340 1 7 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.980 -1.859 19687 4341 1 7 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.160 -0.994 19687 4342 1 7 . 1 1 70 70 ALA H H 70 8.581 8.581 8.303 0.278 19687 4343 1 7 . 1 1 71 71 LYS N N 71 120.661 120.661 120.288 0.373 19687 4344 1 7 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.694 -0.387 19687 4345 1 7 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.105 -0.149 19687 4346 1 7 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.025 -1.158 19687 4347 1 7 . 1 1 71 71 LYS H H 71 8.558 8.558 8.397 0.161 19687 4348 1 7 . 1 1 72 72 VAL N N 72 114.526 114.526 118.612 -4.086 19687 4349 1 7 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.384 -0.005 19687 4350 1 7 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.695 -1.932 19687 4351 1 7 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.816 1.409 19687 4352 1 7 . 1 1 72 72 VAL H H 72 8.384 8.384 8.291 0.093 19687 4353 1 7 . 1 1 73 73 GLY N N 73 107.198 107.198 114.103 -6.905 19687 4354 1 7 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.077 0.277 19687 4355 1 7 . 1 1 73 73 GLY H H 73 8.036 8.036 8.921 -0.885 19687 4356 1 7 . 1 1 74 74 SER N N 74 113.743 113.743 119.416 -5.673 19687 4357 1 7 . 1 1 74 74 SER CA C 74 58.043 58.043 57.954 0.089 19687 4358 1 7 . 1 1 74 74 SER CB C 74 64.622 64.622 64.076 0.546 19687 4359 1 7 . 1 1 74 74 SER H H 74 8.292 8.292 8.183 0.109 19687 4360 1 7 . 1 1 75 75 ALA HA H 75 4.145 4.145 3.996 0.149 19687 4361 1 7 . 1 1 75 75 ALA CA C 75 53.630 53.630 53.079 0.551 19687 4362 1 7 . 1 1 75 75 ALA CB C 75 19.565 19.565 18.892 0.673 19687 4363 1 7 . 1 1 76 76 ASP N N 76 117.216 117.216 116.575 0.641 19687 4364 1 7 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.342 0.058 19687 4365 1 7 . 1 1 76 76 ASP CA C 76 55.110 55.110 56.519 -1.409 19687 4366 1 7 . 1 1 76 76 ASP CB C 76 41.466 41.466 39.772 1.694 19687 4367 1 7 . 1 1 76 76 ASP H H 76 8.189 8.189 8.950 -0.761 19687 4368 1 7 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.562 -0.461 19687 4369 1 7 . 1 1 77 77 ASP CA C 77 53.040 53.040 55.084 -2.044 19687 4370 1 7 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.557 -0.484 19687 4371 1 7 . 1 1 82 82 ALA CA C 82 53.462 53.462 51.653 1.809 19687 4372 1 7 . 1 1 82 82 ALA CB C 82 19.492 19.492 19.612 -0.120 19687 4373 1 7 . 1 1 83 83 ALA N N 83 120.555 120.555 125.520 -4.965 19687 4374 1 7 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.339 0.583 19687 4375 1 7 . 1 1 83 83 ALA CA C 83 53.158 53.158 52.233 0.925 19687 4376 1 7 . 1 1 83 83 ALA H H 83 8.048 8.048 8.482 -0.434 19687 4377 1 7 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.666 -0.565 19687 4378 1 7 . 1 1 96 96 ASP CA C 96 56.270 56.270 54.667 1.603 19687 4379 1 7 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.793 0.576 19687 4380 1 7 . 1 1 97 97 GLY N N 97 106.760 106.760 109.678 -2.918 19687 4381 1 7 . 1 1 97 97 GLY CA C 97 45.934 45.934 45.200 0.734 19687 4382 1 7 . 1 1 97 97 GLY H H 97 8.313 8.313 8.614 -0.301 19687 4383 1 7 . 1 1 98 98 SER N N 98 114.252 114.252 117.044 -2.792 19687 4384 1 7 . 1 1 98 98 SER HA H 98 4.281 4.281 4.753 -0.472 19687 4385 1 7 . 1 1 98 98 SER CA C 98 59.061 59.061 57.875 1.186 19687 4386 1 7 . 1 1 98 98 SER CB C 98 64.152 64.152 63.874 0.278 19687 4387 1 7 . 1 1 98 98 SER H H 98 8.179 8.179 8.150 0.029 19687 4388 1 7 . 1 1 99 99 VAL N N 99 119.765 119.765 127.357 -7.592 19687 4389 1 7 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.338 -0.345 19687 4390 1 7 . 1 1 99 99 VAL CA C 99 62.728 62.728 61.286 1.442 19687 4391 1 7 . 1 1 99 99 VAL CB C 99 32.891 32.891 31.326 1.565 19687 4392 1 7 . 1 1 99 99 VAL H H 99 7.978 7.978 8.701 -0.723 19687 4393 1 7 . 1 1 100 100 ALA N N 100 126.348 126.348 127.099 -0.751 19687 4394 1 7 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.188 -0.069 19687 4395 1 7 . 1 1 100 100 ALA CA C 100 52.933 52.933 53.112 -0.179 19687 4396 1 7 . 1 1 100 100 ALA CB C 100 20.172 20.172 17.877 2.295 19687 4397 1 7 . 1 1 100 100 ALA H H 100 8.244 8.244 8.277 -0.033 19687 4398 1 7 . 1 1 101 101 LYS N N 101 118.495 118.495 118.645 -0.150 19687 4399 1 7 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.504 -0.277 19687 4400 1 7 . 1 1 101 101 LYS CA C 101 56.279 56.279 55.853 0.426 19687 4401 1 7 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.798 1.119 19687 4402 1 7 . 1 1 101 101 LYS H H 101 8.105 8.105 8.221 -0.116 19687 4403 1 7 . 1 1 102 102 LEU N N 102 123.225 123.225 118.296 4.929 19687 4404 1 7 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.467 -0.227 19687 4405 1 7 . 1 1 102 102 LEU CA C 102 55.200 55.200 53.704 1.496 19687 4406 1 7 . 1 1 102 102 LEU CB C 102 43.033 43.033 43.016 0.017 19687 4407 1 7 . 1 1 102 102 LEU H H 102 8.308 8.308 7.433 0.875 19687 4408 1 7 . 1 1 103 103 GLY N N 103 108.552 108.552 107.268 1.284 19687 4409 1 7 . 1 1 103 103 GLY CA C 103 45.287 45.287 44.699 0.588 19687 4410 1 7 . 1 1 103 103 GLY H H 103 8.286 8.286 8.190 0.097 19687 4411 1 7 . 1 1 104 104 VAL N N 104 118.898 118.898 115.552 3.346 19687 4412 1 7 . 1 1 104 104 VAL HA H 104 4.386 4.386 3.882 0.504 19687 4413 1 7 . 1 1 104 104 VAL CA C 104 62.978 62.978 64.226 -1.248 19687 4414 1 7 . 1 1 104 104 VAL CB C 104 32.901 32.901 30.813 2.088 19687 4415 1 7 . 1 1 104 104 VAL H H 104 7.845 7.845 7.979 -0.134 19687 4416 1 7 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.697 0.000 19687 4417 1 7 . 1 1 105 105 HIS CA C 105 55.848 55.848 54.078 1.770 19687 4418 1 7 . 1 1 105 105 HIS CB C 105 32.961 32.961 31.253 1.708 19687 4419 1 7 . 1 1 106 106 GLY N N 106 108.707 108.707 108.328 0.379 19687 4420 1 7 . 1 1 106 106 GLY CA C 106 45.687 45.687 45.781 -0.094 19687 4421 1 7 . 1 1 106 106 GLY H H 106 8.318 8.318 8.674 -0.356 19687 4422 1 7 . 1 1 107 107 LEU N N 107 121.670 121.670 126.877 -5.207 19687 4423 1 7 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.730 -0.328 19687 4424 1 7 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.591 0.906 19687 4425 1 7 . 1 1 107 107 LEU CB C 107 43.632 43.632 43.548 0.084 19687 4426 1 7 . 1 1 107 107 LEU H H 107 8.191 8.191 7.959 0.232 19687 4427 1 7 . 1 1 108 108 SER N N 108 118.838 118.838 120.520 -1.682 19687 4428 1 7 . 1 1 108 108 SER HA H 108 4.704 4.704 4.812 -0.108 19687 4429 1 7 . 1 1 108 108 SER CA C 108 57.430 57.430 58.324 -0.894 19687 4430 1 7 . 1 1 108 108 SER CB C 108 65.954 65.954 65.275 0.679 19687 4431 1 7 . 1 1 108 108 SER H H 108 8.523 8.523 8.691 -0.168 19687 4432 1 7 . 1 1 109 109 MET N N 109 123.671 123.671 125.018 -1.347 19687 4433 1 7 . 1 1 109 109 MET HA H 109 5.118 5.118 4.945 0.173 19687 4434 1 7 . 1 1 109 109 MET CA C 109 55.146 55.146 55.890 -0.744 19687 4435 1 7 . 1 1 109 109 MET CB C 109 35.799 35.799 34.752 1.047 19687 4436 1 7 . 1 1 109 109 MET H H 109 8.351 8.351 8.352 -0.001 19687 4437 1 7 . 1 1 110 110 SER N N 110 118.211 118.211 117.138 1.073 19687 4438 1 7 . 1 1 110 110 SER HA H 110 4.668 4.668 5.207 -0.539 19687 4439 1 7 . 1 1 110 110 SER CA C 110 57.103 57.103 56.790 0.313 19687 4440 1 7 . 1 1 110 110 SER CB C 110 66.659 66.659 66.637 0.022 19687 4441 1 7 . 1 1 110 110 SER H H 110 9.061 9.061 7.976 1.085 19687 4442 1 7 . 1 1 111 111 VAL N N 111 119.042 119.042 116.047 2.995 19687 4443 1 7 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.686 -0.396 19687 4444 1 7 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.582 1.584 19687 4445 1 7 . 1 1 111 111 VAL CB C 111 33.733 33.733 33.636 0.097 19687 4446 1 7 . 1 1 111 111 VAL H H 111 7.923 7.923 8.659 -0.736 19687 4447 1 7 . 1 1 112 112 LYS N N 112 126.477 126.477 125.277 1.200 19687 4448 1 7 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.634 -0.128 19687 4449 1 7 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.740 0.092 19687 4450 1 7 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.194 0.761 19687 4451 1 7 . 1 1 112 112 LYS H H 112 9.181 9.181 9.044 0.137 19687 4452 1 7 . 1 1 113 113 GLU N N 113 121.962 121.962 123.626 -1.664 19687 4453 1 7 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.983 0.253 19687 4454 1 7 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.314 -0.519 19687 4455 1 7 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.040 -0.326 19687 4456 1 7 . 1 1 113 113 GLU H H 113 8.410 8.410 8.719 -0.309 19687 4457 1 7 . 1 1 114 114 VAL N N 114 122.453 122.453 122.845 -0.392 19687 4458 1 7 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.533 -0.373 19687 4459 1 7 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.896 1.750 19687 4460 1 7 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.567 0.997 19687 4461 1 7 . 1 1 114 114 VAL H H 114 8.744 8.744 8.600 0.144 19687 4462 1 7 . 1 1 115 115 SER HA H 115 3.884 3.884 4.189 -0.305 19687 4463 1 7 . 1 1 115 115 SER CA C 115 58.726 58.726 60.267 -1.540 19687 4464 1 7 . 1 1 115 115 SER CB C 115 62.588 62.588 62.747 -0.159 19687 4465 1 7 . 1 1 116 116 GLY N N 116 126.353 126.353 112.854 13.499 19687 4466 1 7 . 1 1 116 116 GLY CA C 116 45.766 45.766 46.014 -0.249 19687 4467 1 7 . 1 1 116 116 GLY H H 116 8.744 8.744 8.154 0.590 19687 4468 1 7 . 1 1 117 117 LYS N N 117 120.735 120.735 119.157 1.578 19687 4469 1 7 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.718 -0.118 19687 4470 1 7 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.826 0.447 19687 4471 1 7 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.816 -0.483 19687 4472 1 7 . 1 1 117 117 LYS H H 117 7.934 7.934 8.172 -0.238 19687 4473 1 7 . 1 1 118 118 VAL N N 118 117.642 117.642 116.648 0.994 19687 4474 1 7 . 1 1 118 118 VAL HA H 118 4.157 4.157 5.020 -0.863 19687 4475 1 7 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.798 0.947 19687 4476 1 7 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.450 0.176 19687 4477 1 7 . 1 1 118 118 VAL H H 118 7.619 7.619 7.760 -0.141 19687 4478 1 7 . 1 1 119 119 PHE N N 119 121.052 121.052 125.265 -4.213 19687 4479 1 7 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.451 -0.238 19687 4480 1 7 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.513 -0.045 19687 4481 1 7 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.882 1.105 19687 4482 1 7 . 1 1 119 119 PHE H H 119 8.860 8.860 8.545 0.315 19687 4483 1 7 . 1 1 120 120 LEU N N 120 117.758 117.758 118.412 -0.654 19687 4484 1 7 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.984 0.118 19687 4485 1 7 . 1 1 120 120 LEU CA C 120 52.993 52.993 53.622 -0.629 19687 4486 1 7 . 1 1 120 120 LEU CB C 120 44.439 44.439 47.075 -2.636 19687 4487 1 7 . 1 1 120 120 LEU H H 120 8.576 8.576 8.822 -0.246 19687 4488 1 7 . 1 1 121 121 GLN N N 121 116.064 116.064 119.536 -3.472 19687 4489 1 7 . 1 1 121 121 GLN HA H 121 4.289 4.289 5.065 -0.776 19687 4490 1 7 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.729 0.251 19687 4491 1 7 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.159 0.883 19687 4492 1 7 . 1 1 121 121 GLN H H 121 8.481 8.481 8.285 0.196 19687 4493 1 7 . 1 1 122 122 CYS N N 122 120.052 120.052 118.909 1.143 19687 4494 1 7 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.725 0.515 19687 4495 1 7 . 1 1 122 122 CYS CA C 122 54.865 54.865 58.087 -3.221 19687 4496 1 7 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.245 13.255 19687 4497 1 7 . 1 1 122 122 CYS H H 122 9.203 9.203 8.307 0.896 19687 4498 1 7 . 1 1 123 123 GLN N N 123 115.174 115.174 121.682 -6.508 19687 4499 1 7 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.464 -0.043 19687 4500 1 7 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.213 0.469 19687 4501 1 7 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.667 2.946 19687 4502 1 7 . 1 1 123 123 GLN H H 123 8.106 8.106 8.416 -0.310 19687 4503 1 7 . 1 1 124 124 GLU N N 124 120.534 120.534 124.791 -4.257 19687 4504 1 7 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.155 -0.007 19687 4505 1 7 . 1 1 124 124 GLU CA C 124 55.960 55.960 56.909 -0.949 19687 4506 1 7 . 1 1 124 124 GLU CB C 124 32.752 32.752 30.527 2.225 19687 4507 1 7 . 1 1 124 124 GLU H H 124 8.578 8.578 8.757 -0.179 19687 4508 1 7 . 1 1 132 132 TYR N N 132 122.981 122.981 123.590 -0.609 19687 4509 1 7 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.838 -0.446 19687 4510 1 7 . 1 1 132 132 TYR CA C 132 55.015 55.015 56.770 -1.755 19687 4511 1 7 . 1 1 132 132 TYR H H 132 8.286 8.286 8.194 0.092 19687 4512 1 7 . 1 1 133 133 LEU N N 133 122.894 122.894 122.876 0.018 19687 4513 1 7 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.599 0.009 19687 4514 1 7 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.102 1.053 19687 4515 1 7 . 1 1 133 133 LEU CB C 133 43.071 43.071 43.423 -0.353 19687 4516 1 7 . 1 1 133 133 LEU H H 133 8.102 8.102 8.527 -0.425 19687 4517 1 7 . 1 1 134 134 TRP N N 134 125.713 125.713 122.600 3.113 19687 4518 1 7 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.044 0.474 19687 4519 1 7 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.814 -0.408 19687 4520 1 7 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.430 -0.101 19687 4521 1 7 . 1 1 134 134 TRP H H 134 8.763 8.763 7.901 0.862 19687 4522 1 7 . 1 1 135 135 LYS N N 135 118.492 118.492 128.083 -9.591 19687 4523 1 7 . 1 1 135 135 LYS HA H 135 5.229 5.229 4.939 0.290 19687 4524 1 7 . 1 1 135 135 LYS CA C 135 55.041 55.041 54.061 0.980 19687 4525 1 7 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.539 1.476 19687 4526 1 7 . 1 1 135 135 LYS H H 135 9.321 9.321 8.951 0.370 19687 4527 1 7 . 1 1 136 136 LYS N N 136 121.232 121.232 127.113 -5.881 19687 4528 1 7 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.505 0.186 19687 4529 1 7 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.187 -1.042 19687 4530 1 7 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.336 0.679 19687 4531 1 7 . 1 1 136 136 LYS H H 136 8.509 8.509 7.812 0.697 19687 4532 1 7 . 1 1 137 137 GLY N N 137 116.933 116.933 111.071 5.862 19687 4533 1 7 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.265 0.204 19687 4534 1 7 . 1 1 137 137 GLY H H 137 8.641 8.641 8.523 0.118 19687 4535 1 7 . 1 1 138 138 LYS N N 138 124.712 124.712 117.987 6.725 19687 4536 1 7 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.429 -0.003 19687 4537 1 7 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.165 1.009 19687 4538 1 7 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.596 -0.509 19687 4539 1 7 . 1 1 138 138 LYS H H 138 8.963 8.963 8.173 0.790 19687 4540 1 7 . 1 1 139 139 GLU N N 139 120.229 120.229 118.681 1.548 19687 4541 1 7 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.456 -0.283 19687 4542 1 7 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.564 1.700 19687 4543 1 7 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.289 -0.083 19687 4544 1 7 . 1 1 139 139 GLU H H 139 8.011 8.011 7.554 0.457 19687 4545 1 7 . 1 1 140 140 GLU N N 140 123.311 123.311 124.870 -1.559 19687 4546 1 7 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.971 0.247 19687 4547 1 7 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.813 -0.127 19687 4548 1 7 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.098 0.406 19687 4549 1 7 . 1 1 140 140 GLU H H 140 8.811 8.811 8.648 0.163 19687 4550 1 7 . 1 1 141 141 LEU N N 141 121.782 121.782 117.755 4.027 19687 4551 1 7 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.877 -0.425 19687 4552 1 7 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.381 1.835 19687 4553 1 7 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.381 -0.170 19687 4554 1 7 . 1 1 141 141 LEU H H 141 9.291 9.291 7.915 1.376 19687 4555 1 7 . 1 1 142 142 GLY N N 142 125.924 125.924 106.149 19.775 19687 4556 1 7 . 1 1 142 142 GLY CA C 142 44.571 44.571 45.115 -0.545 19687 4557 1 7 . 1 1 142 142 GLY H H 142 7.060 7.060 8.578 -1.518 19687 4558 1 7 . 1 1 143 143 ASN N N 143 117.181 117.181 120.597 -3.416 19687 4559 1 7 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.614 1.288 19687 4560 1 7 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.606 -1.698 19687 4561 1 7 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.901 1.432 19687 4562 1 7 . 1 1 143 143 ASN H H 143 8.472 8.472 8.471 0.001 19687 4563 1 7 . 1 1 144 144 MET N N 144 117.970 117.970 123.083 -5.113 19687 4564 1 7 . 1 1 144 144 MET HA H 144 4.747 4.747 4.889 -0.142 19687 4565 1 7 . 1 1 144 144 MET CA C 144 56.085 56.085 54.278 1.807 19687 4566 1 7 . 1 1 144 144 MET CB C 144 36.425 36.425 35.596 0.829 19687 4567 1 7 . 1 1 144 144 MET H H 144 9.270 9.270 8.241 1.029 19687 4568 1 7 . 1 1 145 145 ARG N N 145 125.032 125.032 120.251 4.781 19687 4569 1 7 . 1 1 145 145 ARG HA H 145 4.275 4.275 4.036 0.239 19687 4570 1 7 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.627 0.254 19687 4571 1 7 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.539 0.768 19687 4572 1 7 . 1 1 145 145 ARG H H 145 9.085 9.085 8.590 0.495 19687 4573 1 7 . 1 1 146 146 GLN N N 146 112.668 112.668 116.185 -3.517 19687 4574 1 7 . 1 1 146 146 GLN HA H 146 4.904 4.904 3.821 1.083 19687 4575 1 7 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.278 0.077 19687 4576 1 7 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.174 0.759 19687 4577 1 7 . 1 1 146 146 GLN H H 146 7.599 7.599 7.560 0.039 19687 4578 1 7 . 1 1 147 147 LEU N N 147 122.152 122.152 127.281 -5.129 19687 4579 1 7 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.092 -0.069 19687 4580 1 7 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.355 -2.134 19687 4581 1 7 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.221 1.481 19687 4582 1 7 . 1 1 147 147 LEU H H 147 8.130 8.130 8.142 -0.012 19687 4583 1 7 . 1 1 148 148 ASP N N 148 124.520 124.520 126.731 -2.211 19687 4584 1 7 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.467 -0.546 19687 4585 1 7 . 1 1 148 148 ASP CA C 148 53.321 53.321 53.114 0.207 19687 4586 1 7 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.399 0.057 19687 4587 1 7 . 1 1 148 148 ASP H H 148 8.008 8.008 8.115 -0.107 19687 4588 1 7 . 1 1 149 149 LEU N N 149 124.941 124.941 121.567 3.374 19687 4589 1 7 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.452 -0.539 19687 4590 1 7 . 1 1 149 149 LEU CA C 149 54.188 54.188 52.984 1.204 19687 4591 1 7 . 1 1 149 149 LEU CB C 149 42.298 42.298 41.205 1.093 19687 4592 1 7 . 1 1 149 149 LEU H H 149 8.790 8.790 7.995 0.795 19687 4593 1 7 . 1 1 150 150 GLY N N 150 108.901 108.901 106.601 2.300 19687 4594 1 7 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.566 -1.036 19687 4595 1 7 . 1 1 150 150 GLY H H 150 8.744 8.744 7.226 1.518 19687 4596 1 7 . 1 1 151 151 ALA N N 151 118.338 118.338 120.198 -1.860 19687 4597 1 7 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.632 -0.398 19687 4598 1 7 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.312 3.058 19687 4599 1 7 . 1 1 151 151 ALA CB C 151 19.150 19.150 21.927 -2.777 19687 4600 1 7 . 1 1 151 151 ALA H H 151 8.167 8.167 8.130 0.037 19687 4601 1 7 . 1 1 152 152 ILE N N 152 121.825 121.825 120.971 0.854 19687 4602 1 7 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.931 -1.021 19687 4603 1 7 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.708 0.857 19687 4604 1 7 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.727 0.861 19687 4605 1 7 . 1 1 152 152 ILE H H 152 8.269 8.269 8.090 0.179 19687 4606 1 7 . 1 1 153 153 TYR N N 153 109.544 109.544 116.396 -6.852 19687 4607 1 7 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.519 -0.400 19687 4608 1 7 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.368 1.230 19687 4609 1 7 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.549 -1.191 19687 4610 1 7 . 1 1 153 153 TYR H H 153 6.757 6.757 7.610 -0.853 19687 4611 1 7 . 1 1 154 154 ASP N N 154 117.255 117.255 122.183 -4.928 19687 4612 1 7 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.661 0.043 19687 4613 1 7 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.971 2.926 19687 4614 1 7 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.834 0.899 19687 4615 1 7 . 1 1 154 154 ASP H H 154 7.092 7.092 7.294 -0.202 19687 4616 1 7 . 1 1 155 155 ASP N N 155 115.759 115.759 121.302 -5.543 19687 4617 1 7 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.773 -0.540 19687 4618 1 7 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.661 1.839 19687 4619 1 7 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.282 -0.815 19687 4620 1 7 . 1 1 155 155 ASP H H 155 7.855 7.855 7.617 0.238 19687 4621 1 7 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.419 -0.268 19687 4622 1 7 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.585 0.900 19687 4623 1 7 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.444 -0.752 19687 4624 1 7 . 1 1 157 157 ARG N N 157 115.980 115.980 117.959 -1.979 19687 4625 1 7 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.302 0.839 19687 4626 1 7 . 1 1 157 157 ARG CA C 157 54.793 54.793 57.303 -2.510 19687 4627 1 7 . 1 1 157 157 ARG CB C 157 34.607 34.607 31.066 3.541 19687 4628 1 7 . 1 1 157 157 ARG H H 157 7.888 7.888 8.337 -0.449 19687 4629 1 7 . 1 1 158 158 GLY N N 158 106.901 106.901 105.950 0.951 19687 4630 1 7 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.612 0.999 19687 4631 1 7 . 1 1 158 158 GLY H H 158 8.344 8.344 8.010 0.334 19687 4632 1 7 . 1 1 159 159 THR N N 159 116.699 116.699 117.319 -0.620 19687 4633 1 7 . 1 1 159 159 THR CA C 159 63.319 63.319 63.432 -0.113 19687 4634 1 7 . 1 1 159 159 THR CB C 159 69.870 69.870 69.289 0.581 19687 4635 1 7 . 1 1 159 159 THR H H 159 8.228 8.228 8.113 0.115 19687 4636 1 7 . 1 1 160 160 TYR N N 160 123.979 123.979 122.589 1.390 19687 4637 1 7 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.040 0.314 19687 4638 1 7 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.331 2.297 19687 4639 1 7 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.185 2.669 19687 4640 1 7 . 1 1 160 160 TYR H H 160 8.782 8.782 8.516 0.266 19687 4641 1 7 . 1 1 161 161 THR N N 161 115.752 115.752 115.532 0.220 19687 4642 1 7 . 1 1 161 161 THR HA H 161 5.509 5.509 5.151 0.358 19687 4643 1 7 . 1 1 161 161 THR CA C 161 61.354 61.354 61.587 -0.233 19687 4644 1 7 . 1 1 161 161 THR CB C 161 73.921 73.921 70.372 3.549 19687 4645 1 7 . 1 1 161 161 THR H H 161 9.096 9.096 9.245 -0.149 19687 4646 1 7 . 1 1 162 162 CYS N N 162 119.476 119.476 125.298 -5.822 19687 4647 1 7 . 1 1 162 162 CYS HA H 162 4.533 4.533 4.853 -0.320 19687 4648 1 7 . 1 1 162 162 CYS CA C 162 52.737 52.737 58.997 -6.260 19687 4649 1 7 . 1 1 162 162 CYS CB C 162 43.843 43.843 29.760 14.083 19687 4650 1 7 . 1 1 162 162 CYS H H 162 8.580 8.580 9.108 -0.528 19687 4651 1 7 . 1 1 163 163 GLN N N 163 120.977 120.977 122.648 -1.671 19687 4652 1 7 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.443 0.505 19687 4653 1 7 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.245 -0.029 19687 4654 1 7 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.691 0.551 19687 4655 1 7 . 1 1 163 163 GLN H H 163 9.218 9.218 8.396 0.822 19687 4656 1 7 . 1 1 164 164 ARG N N 164 123.963 123.963 120.452 3.511 19687 4657 1 7 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.336 -0.118 19687 4658 1 7 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.348 -0.245 19687 4659 1 7 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.694 2.043 19687 4660 1 7 . 1 1 164 164 ARG H H 164 8.546 8.546 8.374 0.172 19687 4661 1 7 . 1 1 165 165 ASP N N 165 115.195 115.195 116.633 -1.438 19687 4662 1 7 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.706 -0.037 19687 4663 1 7 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.365 1.567 19687 4664 1 7 . 1 1 165 165 ASP CB C 165 41.643 41.643 43.081 -1.438 19687 4665 1 7 . 1 1 165 165 ASP H H 165 8.040 8.040 7.528 0.512 19687 4666 1 7 . 1 1 166 166 GLU N N 166 113.922 113.922 120.251 -6.329 19687 4667 1 7 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.000 -0.251 19687 4668 1 7 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.217 -0.023 19687 4669 1 7 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.735 -0.249 19687 4670 1 7 . 1 1 166 166 GLU H H 166 8.745 8.745 8.817 -0.072 19687 4671 1 7 . 1 1 167 167 ASN N N 167 113.556 113.556 117.973 -4.417 19687 4672 1 7 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.624 -0.024 19687 4673 1 7 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.770 1.513 19687 4674 1 7 . 1 1 167 167 ASN CB C 167 40.577 40.577 36.886 3.691 19687 4675 1 7 . 1 1 167 167 ASN H H 167 8.540 8.540 8.502 0.038 19687 4676 1 7 . 1 1 168 168 VAL N N 168 120.903 120.903 114.605 6.298 19687 4677 1 7 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.864 0.078 19687 4678 1 7 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.562 -0.391 19687 4679 1 7 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.966 0.935 19687 4680 1 7 . 1 1 168 168 VAL H H 168 7.818 7.818 7.496 0.322 19687 4681 1 7 . 1 1 169 169 ASN N N 169 120.789 120.789 121.795 -1.006 19687 4682 1 7 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.695 0.268 19687 4683 1 7 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.583 -0.855 19687 4684 1 7 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.879 1.361 19687 4685 1 7 . 1 1 169 169 ASN H H 169 8.104 8.104 9.143 -1.039 19687 4686 1 7 . 1 1 170 170 SER N N 170 111.999 111.999 117.559 -5.560 19687 4687 1 7 . 1 1 170 170 SER HA H 170 4.505 4.505 4.458 0.047 19687 4688 1 7 . 1 1 170 170 SER CA C 170 59.066 59.066 58.699 0.367 19687 4689 1 7 . 1 1 170 170 SER CB C 170 65.677 65.677 63.108 2.569 19687 4690 1 7 . 1 1 170 170 SER H H 170 8.104 8.104 8.463 -0.359 19687 4691 1 7 . 1 1 171 171 THR N N 171 121.052 121.052 124.824 -3.772 19687 4692 1 7 . 1 1 171 171 THR HA H 171 5.430 5.430 4.491 0.939 19687 4693 1 7 . 1 1 171 171 THR CA C 171 62.194 62.194 62.605 -0.411 19687 4694 1 7 . 1 1 171 171 THR CB C 171 72.220 72.220 69.011 3.209 19687 4695 1 7 . 1 1 171 171 THR H H 171 8.397 8.397 8.377 0.020 19687 4696 1 7 . 1 1 172 172 LEU N N 172 130.063 130.063 129.905 0.158 19687 4697 1 7 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.870 -0.152 19687 4698 1 7 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.497 1.335 19687 4699 1 7 . 1 1 172 172 LEU CB C 172 48.599 48.599 43.375 5.224 19687 4700 1 7 . 1 1 172 172 LEU H H 172 9.515 9.515 9.115 0.400 19687 4701 1 7 . 1 1 173 173 HIS CB C 173 27.207 27.207 31.959 -4.752 19687 4702 1 7 . 1 1 176 176 TYR N N 176 130.457 130.457 115.803 14.654 19687 4703 1 7 . 1 1 176 176 TYR HA H 176 4.886 4.886 4.596 0.290 19687 4704 1 7 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.945 1.683 19687 4705 1 7 . 1 1 176 176 TYR CB C 176 40.201 40.201 38.243 1.958 19687 4706 1 7 . 1 1 176 176 TYR H H 176 7.851 7.851 7.880 -0.029 19687 4707 1 7 . 1 1 177 177 ARG N N 177 123.397 123.397 125.570 -2.173 19687 4708 1 7 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.266 -0.055 19687 4709 1 7 . 1 1 177 177 ARG CA C 177 55.855 55.855 55.200 0.655 19687 4710 1 7 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.418 -0.342 19687 4711 1 7 . 1 1 177 177 ARG H H 177 8.591 8.591 8.135 0.456 19687 4712 1 8 . 1 1 5 5 GLY CA C 5 45.663 45.663 45.158 0.505 19687 4713 1 8 . 1 1 6 6 GLN N N 6 117.952 117.952 119.286 -1.334 19687 4714 1 8 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.324 -0.125 19687 4715 1 8 . 1 1 6 6 GLN CA C 6 55.767 55.767 55.836 -0.069 19687 4716 1 8 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.891 0.292 19687 4717 1 8 . 1 1 6 6 GLN H H 6 8.143 8.143 8.326 -0.183 19687 4718 1 8 . 1 1 7 7 GLU N N 7 120.150 120.150 117.441 2.709 19687 4719 1 8 . 1 1 7 7 GLU HA H 7 4.090 4.090 3.967 0.122 19687 4720 1 8 . 1 1 7 7 GLU CA C 7 57.080 57.080 56.897 0.184 19687 4721 1 8 . 1 1 7 7 GLU CB C 7 30.461 30.461 27.383 3.078 19687 4722 1 8 . 1 1 7 7 GLU H H 7 8.468 8.468 8.284 0.184 19687 4723 1 8 . 1 1 8 8 GLU N N 8 117.498 117.498 118.350 -0.852 19687 4724 1 8 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.278 0.162 19687 4725 1 8 . 1 1 8 8 GLU CA C 8 55.256 55.256 57.755 -2.499 19687 4726 1 8 . 1 1 8 8 GLU CB C 8 33.805 33.805 30.381 3.424 19687 4727 1 8 . 1 1 8 8 GLU H H 8 7.997 7.997 8.534 -0.537 19687 4728 1 8 . 1 1 9 9 PHE N N 9 121.043 121.043 118.386 2.657 19687 4729 1 8 . 1 1 9 9 PHE H H 9 8.459 8.459 7.515 0.944 19687 4730 1 8 . 1 1 10 10 ALA N N 10 120.252 120.252 118.479 1.773 19687 4731 1 8 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.010 0.592 19687 4732 1 8 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.261 -1.111 19687 4733 1 8 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.633 3.667 19687 4734 1 8 . 1 1 10 10 ALA H H 10 7.566 7.566 8.385 -0.819 19687 4735 1 8 . 1 1 11 11 VAL N N 11 119.476 119.476 117.535 1.941 19687 4736 1 8 . 1 1 11 11 VAL HA H 11 4.234 4.234 4.995 -0.761 19687 4737 1 8 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.747 1.206 19687 4738 1 8 . 1 1 11 11 VAL CB C 11 35.067 35.067 32.376 2.691 19687 4739 1 8 . 1 1 11 11 VAL H H 11 8.440 8.440 8.201 0.239 19687 4740 1 8 . 1 1 12 12 GLU N N 12 126.837 126.837 126.266 0.571 19687 4741 1 8 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.684 -0.136 19687 4742 1 8 . 1 1 12 12 GLU CA C 12 55.013 55.013 54.877 0.136 19687 4743 1 8 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.438 1.085 19687 4744 1 8 . 1 1 12 12 GLU H H 12 8.787 8.787 9.168 -0.381 19687 4745 1 8 . 1 1 13 13 ILE N N 13 124.712 124.712 125.271 -0.559 19687 4746 1 8 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.109 0.399 19687 4747 1 8 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.593 -0.993 19687 4748 1 8 . 1 1 13 13 ILE CB C 13 39.900 39.900 39.149 0.751 19687 4749 1 8 . 1 1 13 13 ILE H H 13 8.753 8.753 8.716 0.037 19687 4750 1 8 . 1 1 14 14 SER N N 14 121.782 121.782 120.322 1.460 19687 4751 1 8 . 1 1 14 14 SER HA H 14 4.607 4.607 4.762 -0.155 19687 4752 1 8 . 1 1 14 14 SER CA C 14 56.398 56.398 57.691 -1.293 19687 4753 1 8 . 1 1 14 14 SER CB C 14 63.918 63.918 63.463 0.455 19687 4754 1 8 . 1 1 14 14 SER H H 14 8.475 8.475 8.707 -0.232 19687 4755 1 8 . 1 1 15 15 GLY CA C 15 47.494 47.494 47.082 0.412 19687 4756 1 8 . 1 1 16 16 THR N N 16 114.515 114.515 116.607 -2.092 19687 4757 1 8 . 1 1 16 16 THR HA H 16 4.197 4.197 4.313 -0.116 19687 4758 1 8 . 1 1 16 16 THR CA C 16 61.600 61.600 61.497 0.103 19687 4759 1 8 . 1 1 16 16 THR CB C 16 68.800 68.800 69.082 -0.281 19687 4760 1 8 . 1 1 16 16 THR H H 16 8.636 8.636 8.020 0.616 19687 4761 1 8 . 1 1 17 17 THR N N 17 118.332 118.332 118.668 -0.336 19687 4762 1 8 . 1 1 17 17 THR HA H 17 5.004 5.004 4.997 0.007 19687 4763 1 8 . 1 1 17 17 THR CA C 17 62.095 62.095 61.676 0.419 19687 4764 1 8 . 1 1 17 17 THR CB C 17 70.105 70.105 72.363 -2.258 19687 4765 1 8 . 1 1 17 17 THR H H 17 8.353 8.353 7.522 0.831 19687 4766 1 8 . 1 1 18 18 VAL N N 18 127.794 127.794 127.474 0.320 19687 4767 1 8 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.044 -0.464 19687 4768 1 8 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.240 2.058 19687 4769 1 8 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.425 -1.060 19687 4770 1 8 . 1 1 18 18 VAL H H 18 8.843 8.843 8.248 0.595 19687 4771 1 8 . 1 1 19 19 THR N N 19 121.651 121.651 122.325 -0.674 19687 4772 1 8 . 1 1 19 19 THR CA C 19 62.635 62.635 59.271 3.364 19687 4773 1 8 . 1 1 19 19 THR CB C 19 69.854 69.854 70.792 -0.938 19687 4774 1 8 . 1 1 19 19 THR H H 19 8.953 8.953 9.116 -0.163 19687 4775 1 8 . 1 1 20 20 ILE N N 20 106.781 106.781 123.288 -16.507 19687 4776 1 8 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.795 -0.733 19687 4777 1 8 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.587 -0.272 19687 4778 1 8 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.371 -0.171 19687 4779 1 8 . 1 1 20 20 ILE H H 20 9.426 9.426 8.454 0.972 19687 4780 1 8 . 1 1 21 21 THR N N 21 121.256 121.256 121.142 0.114 19687 4781 1 8 . 1 1 21 21 THR HA H 21 5.160 5.160 4.752 0.408 19687 4782 1 8 . 1 1 21 21 THR CA C 21 62.116 62.116 61.860 0.256 19687 4783 1 8 . 1 1 21 21 THR CB C 21 70.105 70.105 70.205 -0.100 19687 4784 1 8 . 1 1 21 21 THR H H 21 9.245 9.245 8.562 0.683 19687 4785 1 8 . 1 1 22 22 CYS N N 22 123.311 123.311 126.193 -2.882 19687 4786 1 8 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.279 -1.558 19687 4787 1 8 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.100 -1.167 19687 4788 1 8 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.813 13.280 19687 4789 1 8 . 1 1 22 22 CYS H H 22 8.930 8.930 8.147 0.783 19687 4790 1 8 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.340 -0.670 19687 4791 1 8 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.301 1.165 19687 4792 1 8 . 1 1 23 23 PRO CB C 23 31.647 31.647 32.317 -0.670 19687 4793 1 8 . 1 1 24 24 SER N N 24 107.893 107.893 114.319 -6.426 19687 4794 1 8 . 1 1 24 24 SER HA H 24 4.289 4.289 4.068 0.221 19687 4795 1 8 . 1 1 24 24 SER CA C 24 58.121 58.121 60.418 -2.297 19687 4796 1 8 . 1 1 24 24 SER CB C 24 65.762 65.762 63.310 2.452 19687 4797 1 8 . 1 1 24 24 SER H H 24 6.307 6.307 7.505 -1.198 19687 4798 1 8 . 1 1 25 25 SER N N 25 113.836 113.836 114.236 -0.400 19687 4799 1 8 . 1 1 25 25 SER HA H 25 4.469 4.469 4.461 0.008 19687 4800 1 8 . 1 1 25 25 SER CA C 25 57.103 57.103 58.226 -1.123 19687 4801 1 8 . 1 1 25 25 SER CB C 25 65.185 65.185 64.317 0.868 19687 4802 1 8 . 1 1 25 25 SER H H 25 8.121 8.121 8.042 0.079 19687 4803 1 8 . 1 1 26 26 GLY N N 26 107.245 107.245 110.062 -2.817 19687 4804 1 8 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.342 -0.066 19687 4805 1 8 . 1 1 26 26 GLY H H 26 8.194 8.194 8.586 -0.392 19687 4806 1 8 . 1 1 27 27 ASP N N 27 116.002 116.002 119.635 -3.633 19687 4807 1 8 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.679 -0.210 19687 4808 1 8 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.885 0.338 19687 4809 1 8 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.805 0.103 19687 4810 1 8 . 1 1 27 27 ASP H H 27 8.186 8.186 7.908 0.278 19687 4811 1 8 . 1 1 28 28 ASP N N 28 117.805 117.805 119.257 -1.452 19687 4812 1 8 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.686 -0.181 19687 4813 1 8 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.532 0.282 19687 4814 1 8 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.083 0.807 19687 4815 1 8 . 1 1 28 28 ASP H H 28 8.319 8.319 8.041 0.278 19687 4816 1 8 . 1 1 29 29 ILE N N 29 120.506 120.506 121.710 -1.204 19687 4817 1 8 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.164 0.026 19687 4818 1 8 . 1 1 29 29 ILE CA C 29 61.156 61.156 61.200 -0.044 19687 4819 1 8 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.591 -0.224 19687 4820 1 8 . 1 1 29 29 ILE H H 29 7.913 7.913 8.062 -0.149 19687 4821 1 8 . 1 1 30 30 LYS N N 30 125.490 125.490 127.280 -1.790 19687 4822 1 8 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.588 0.178 19687 4823 1 8 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.583 0.170 19687 4824 1 8 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.597 1.888 19687 4825 1 8 . 1 1 30 30 LYS H H 30 8.177 8.177 7.884 0.293 19687 4826 1 8 . 1 1 31 31 TRP N N 31 121.968 121.968 125.585 -3.617 19687 4827 1 8 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.655 0.643 19687 4828 1 8 . 1 1 31 31 TRP CA C 31 57.573 57.573 57.385 0.188 19687 4829 1 8 . 1 1 31 31 TRP CB C 31 34.076 34.076 30.648 3.428 19687 4830 1 8 . 1 1 31 31 TRP H H 31 8.752 8.752 8.770 -0.018 19687 4831 1 8 . 1 1 32 32 LYS N N 32 118.343 118.343 118.902 -0.559 19687 4832 1 8 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.646 -0.423 19687 4833 1 8 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.608 -2.011 19687 4834 1 8 . 1 1 32 32 LYS CB C 32 35.485 35.485 30.507 4.978 19687 4835 1 8 . 1 1 32 32 LYS H H 32 8.876 8.876 8.714 0.162 19687 4836 1 8 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.270 0.027 19687 4837 1 8 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.452 -1.160 19687 4838 1 8 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.906 3.586 19687 4839 1 8 . 1 1 34 34 ASP N N 34 119.044 119.044 114.946 4.098 19687 4840 1 8 . 1 1 34 34 ASP HA H 34 5.342 5.342 4.950 0.392 19687 4841 1 8 . 1 1 34 34 ASP CA C 34 50.951 50.951 53.014 -2.063 19687 4842 1 8 . 1 1 34 34 ASP CB C 34 42.122 42.122 42.243 -0.121 19687 4843 1 8 . 1 1 34 34 ASP H H 34 8.039 8.039 8.273 -0.234 19687 4844 1 8 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.445 -0.111 19687 4845 1 8 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.629 0.508 19687 4846 1 8 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.134 0.758 19687 4847 1 8 . 1 1 36 36 ALA N N 36 117.764 117.764 121.022 -3.258 19687 4848 1 8 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.123 0.004 19687 4849 1 8 . 1 1 36 36 ALA CA C 36 54.475 54.475 54.092 0.383 19687 4850 1 8 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.883 0.032 19687 4851 1 8 . 1 1 36 36 ALA H H 36 8.126 8.126 8.029 0.097 19687 4852 1 8 . 1 1 37 37 LEU N N 37 115.927 115.927 111.556 4.371 19687 4853 1 8 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.517 -0.597 19687 4854 1 8 . 1 1 37 37 LEU CA C 37 55.427 55.427 53.001 2.426 19687 4855 1 8 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.598 -3.021 19687 4856 1 8 . 1 1 37 37 LEU H H 37 7.576 7.576 7.192 0.384 19687 4857 1 8 . 1 1 38 38 GLY N N 38 127.283 127.283 107.910 19.373 19687 4858 1 8 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.128 1.271 19687 4859 1 8 . 1 1 38 38 GLY H H 38 7.341 7.341 7.436 -0.095 19687 4860 1 8 . 1 1 39 39 ASP N N 39 122.925 122.925 123.676 -0.751 19687 4861 1 8 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.667 -0.108 19687 4862 1 8 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.688 0.046 19687 4863 1 8 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.486 -1.398 19687 4864 1 8 . 1 1 39 39 ASP H H 39 9.095 9.095 7.822 1.273 19687 4865 1 8 . 1 1 40 40 ASN N N 40 122.444 122.444 118.226 4.218 19687 4866 1 8 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.471 -0.146 19687 4867 1 8 . 1 1 40 40 ASN CA C 40 56.339 56.339 56.234 0.105 19687 4868 1 8 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.299 0.138 19687 4869 1 8 . 1 1 40 40 ASN H H 40 9.267 9.267 8.848 0.419 19687 4870 1 8 . 1 1 41 41 ASN N N 41 119.328 119.328 115.761 3.567 19687 4871 1 8 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.781 -0.347 19687 4872 1 8 . 1 1 41 41 ASN CA C 41 55.053 55.053 52.511 2.542 19687 4873 1 8 . 1 1 41 41 ASN CB C 41 37.768 37.768 37.546 0.222 19687 4874 1 8 . 1 1 41 41 ASN H H 41 8.661 8.661 8.609 0.052 19687 4875 1 8 . 1 1 42 42 LYS N N 42 119.592 119.592 120.325 -0.733 19687 4876 1 8 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.176 0.410 19687 4877 1 8 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.850 -0.866 19687 4878 1 8 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.620 0.202 19687 4879 1 8 . 1 1 42 42 LYS H H 42 8.195 8.195 7.741 0.454 19687 4880 1 8 . 1 1 43 43 TYR N N 43 123.577 123.577 121.285 2.292 19687 4881 1 8 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.220 -0.445 19687 4882 1 8 . 1 1 43 43 TYR CA C 43 57.373 57.373 55.967 1.406 19687 4883 1 8 . 1 1 43 43 TYR CB C 43 40.262 40.262 39.595 0.667 19687 4884 1 8 . 1 1 43 43 TYR H H 43 8.661 8.661 8.888 -0.227 19687 4885 1 8 . 1 1 44 44 ILE N N 44 124.735 124.735 127.863 -3.128 19687 4886 1 8 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.018 0.541 19687 4887 1 8 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.821 1.392 19687 4888 1 8 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.238 3.954 19687 4889 1 8 . 1 1 44 44 ILE H H 44 7.239 7.239 8.189 -0.950 19687 4890 1 8 . 1 1 45 45 ILE N N 45 126.245 126.245 128.549 -2.304 19687 4891 1 8 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.061 -0.187 19687 4892 1 8 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.711 -0.159 19687 4893 1 8 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.819 0.701 19687 4894 1 8 . 1 1 45 45 ILE H H 45 8.984 8.984 8.421 0.563 19687 4895 1 8 . 1 1 46 46 GLN N N 46 122.581 122.581 124.795 -2.214 19687 4896 1 8 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.671 -0.472 19687 4897 1 8 . 1 1 46 46 GLN CA C 46 56.207 56.207 55.021 1.186 19687 4898 1 8 . 1 1 46 46 GLN CB C 46 30.136 30.136 30.774 -0.638 19687 4899 1 8 . 1 1 46 46 GLN H H 46 8.356 8.356 8.400 -0.044 19687 4900 1 8 . 1 1 47 47 ASN N N 47 116.902 116.902 120.728 -3.826 19687 4901 1 8 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.290 -0.082 19687 4902 1 8 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.184 -0.764 19687 4903 1 8 . 1 1 47 47 ASN CB C 47 37.945 37.945 37.497 0.448 19687 4904 1 8 . 1 1 47 47 ASN H H 47 9.115 9.115 8.870 0.245 19687 4905 1 8 . 1 1 48 48 HIS N N 48 117.711 117.711 113.885 3.826 19687 4906 1 8 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.591 -0.239 19687 4907 1 8 . 1 1 48 48 HIS CA C 48 57.673 57.673 54.632 3.041 19687 4908 1 8 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.839 1.209 19687 4909 1 8 . 1 1 48 48 HIS H H 48 8.727 8.727 7.715 1.012 19687 4910 1 8 . 1 1 49 49 ASP N N 49 124.049 124.049 117.609 6.440 19687 4911 1 8 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.970 -0.771 19687 4912 1 8 . 1 1 49 49 ASP CA C 49 53.810 53.810 52.782 1.028 19687 4913 1 8 . 1 1 49 49 ASP CB C 49 41.232 41.232 41.485 -0.253 19687 4914 1 8 . 1 1 49 49 ASP H H 49 7.339 7.339 8.206 -0.867 19687 4915 1 8 . 1 1 50 50 SER N N 50 100.425 100.425 122.263 -21.838 19687 4916 1 8 . 1 1 50 50 SER HA H 50 4.100 4.100 4.263 -0.163 19687 4917 1 8 . 1 1 50 50 SER CA C 50 54.542 54.542 59.984 -5.442 19687 4918 1 8 . 1 1 50 50 SER CB C 50 61.489 61.489 62.696 -1.207 19687 4919 1 8 . 1 1 50 50 SER H H 50 5.420 5.420 8.687 -3.267 19687 4920 1 8 . 1 1 51 51 SER N N 51 115.785 115.785 117.956 -2.171 19687 4921 1 8 . 1 1 51 51 SER HA H 51 4.619 4.619 4.633 -0.014 19687 4922 1 8 . 1 1 51 51 SER CA C 51 57.320 57.320 57.292 0.028 19687 4923 1 8 . 1 1 51 51 SER CB C 51 63.171 63.171 64.044 -0.873 19687 4924 1 8 . 1 1 51 51 SER H H 51 7.543 7.543 7.749 -0.206 19687 4925 1 8 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.649 -0.206 19687 4926 1 8 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.890 1.851 19687 4927 1 8 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.533 0.288 19687 4928 1 8 . 1 1 53 53 LEU N N 53 120.506 120.506 112.851 7.655 19687 4929 1 8 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.417 0.108 19687 4930 1 8 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.511 0.189 19687 4931 1 8 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.404 2.896 19687 4932 1 8 . 1 1 53 53 LEU H H 53 8.243 8.243 7.031 1.212 19687 4933 1 8 . 1 1 54 54 THR N N 54 116.375 116.375 119.237 -2.862 19687 4934 1 8 . 1 1 54 54 THR HA H 54 5.307 5.307 4.538 0.769 19687 4935 1 8 . 1 1 54 54 THR CA C 54 61.956 61.956 63.671 -1.715 19687 4936 1 8 . 1 1 54 54 THR CB C 54 70.170 70.170 68.783 1.387 19687 4937 1 8 . 1 1 54 54 THR H H 54 7.839 7.839 8.461 -0.622 19687 4938 1 8 . 1 1 55 55 VAL N N 55 123.311 123.311 127.495 -4.184 19687 4939 1 8 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.510 0.256 19687 4940 1 8 . 1 1 55 55 VAL CA C 55 59.677 59.677 59.884 -0.207 19687 4941 1 8 . 1 1 55 55 VAL CB C 55 35.987 35.987 34.569 1.418 19687 4942 1 8 . 1 1 55 55 VAL H H 55 8.941 8.941 8.565 0.376 19687 4943 1 8 . 1 1 56 56 SER N N 56 115.664 115.664 122.802 -7.138 19687 4944 1 8 . 1 1 56 56 SER HA H 56 5.811 5.811 5.123 0.688 19687 4945 1 8 . 1 1 56 56 SER CA C 56 56.606 56.606 56.842 -0.236 19687 4946 1 8 . 1 1 56 56 SER CB C 56 67.712 67.712 64.873 2.839 19687 4947 1 8 . 1 1 56 56 SER H H 56 8.748 8.748 8.541 0.207 19687 4948 1 8 . 1 1 57 57 CYS N N 57 113.093 113.093 117.809 -4.716 19687 4949 1 8 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.291 0.665 19687 4950 1 8 . 1 1 57 57 CYS CA C 57 53.136 53.136 58.951 -5.815 19687 4951 1 8 . 1 1 57 57 CYS CB C 57 48.859 48.859 30.814 18.044 19687 4952 1 8 . 1 1 57 57 CYS H H 57 8.766 8.766 8.392 0.374 19687 4953 1 8 . 1 1 58 58 THR N N 58 115.221 115.221 123.558 -8.337 19687 4954 1 8 . 1 1 58 58 THR HA H 58 4.829 4.829 4.855 -0.026 19687 4955 1 8 . 1 1 58 58 THR CA C 58 61.394 61.394 61.350 0.044 19687 4956 1 8 . 1 1 58 58 THR CB C 58 70.872 70.872 70.650 0.222 19687 4957 1 8 . 1 1 58 58 THR H H 58 8.440 8.440 8.028 0.412 19687 4958 1 8 . 1 1 59 59 ALA N N 59 128.540 128.540 129.781 -1.241 19687 4959 1 8 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.854 -0.412 19687 4960 1 8 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.344 0.317 19687 4961 1 8 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.646 1.584 19687 4962 1 8 . 1 1 59 59 ALA H H 59 8.489 8.489 8.164 0.325 19687 4963 1 8 . 1 1 60 60 GLY N N 60 114.199 114.199 114.260 -0.061 19687 4964 1 8 . 1 1 60 60 GLY CA C 60 47.668 47.668 46.948 0.720 19687 4965 1 8 . 1 1 60 60 GLY H H 60 9.072 9.072 8.639 0.433 19687 4966 1 8 . 1 1 61 61 ASP N N 61 122.847 122.847 125.113 -2.266 19687 4967 1 8 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.837 -0.485 19687 4968 1 8 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.556 1.050 19687 4969 1 8 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.131 0.147 19687 4970 1 8 . 1 1 61 61 ASP H H 61 8.553 8.553 8.331 0.222 19687 4971 1 8 . 1 1 62 62 GLN N N 62 117.800 117.800 119.026 -1.226 19687 4972 1 8 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.610 -0.420 19687 4973 1 8 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.493 0.864 19687 4974 1 8 . 1 1 62 62 GLN CB C 62 31.276 31.276 31.939 -0.663 19687 4975 1 8 . 1 1 62 62 GLN H H 62 7.703 7.703 7.595 0.108 19687 4976 1 8 . 1 1 63 63 GLU N N 63 123.165 123.165 121.972 1.193 19687 4977 1 8 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.090 -0.450 19687 4978 1 8 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.670 -0.205 19687 4979 1 8 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.435 1.168 19687 4980 1 8 . 1 1 63 63 GLU H H 63 8.143 8.143 8.694 -0.551 19687 4981 1 8 . 1 1 64 64 HIS N N 64 125.182 125.182 124.393 0.789 19687 4982 1 8 . 1 1 64 64 HIS HA H 64 4.764 4.764 5.049 -0.285 19687 4983 1 8 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.247 0.030 19687 4984 1 8 . 1 1 64 64 HIS CB C 64 33.100 33.100 34.081 -0.981 19687 4985 1 8 . 1 1 64 64 HIS H H 64 8.925 8.925 8.612 0.313 19687 4986 1 8 . 1 1 65 65 THR N N 65 120.044 120.044 113.320 6.724 19687 4987 1 8 . 1 1 65 65 THR HA H 65 4.996 4.996 5.159 -0.163 19687 4988 1 8 . 1 1 65 65 THR CA C 65 63.303 63.303 60.681 2.622 19687 4989 1 8 . 1 1 65 65 THR CB C 65 71.145 71.145 71.977 -0.832 19687 4990 1 8 . 1 1 65 65 THR H H 65 9.376 9.376 9.182 0.194 19687 4991 1 8 . 1 1 66 66 MET N N 66 126.414 126.414 120.786 5.628 19687 4992 1 8 . 1 1 66 66 MET HA H 66 5.512 5.512 4.969 0.543 19687 4993 1 8 . 1 1 66 66 MET CA C 66 52.610 52.610 54.769 -2.159 19687 4994 1 8 . 1 1 66 66 MET CB C 66 36.065 36.065 37.106 -1.041 19687 4995 1 8 . 1 1 66 66 MET H H 66 9.422 9.422 9.009 0.413 19687 4996 1 8 . 1 1 67 67 TYR N N 67 124.879 124.879 121.809 3.070 19687 4997 1 8 . 1 1 67 67 TYR HA H 67 4.807 4.807 5.069 -0.262 19687 4998 1 8 . 1 1 67 67 TYR CA C 67 57.601 57.601 57.707 -0.106 19687 4999 1 8 . 1 1 67 67 TYR CB C 67 40.700 40.700 40.405 0.295 19687 5000 1 8 . 1 1 67 67 TYR H H 67 9.023 9.023 8.112 0.911 19687 5001 1 8 . 1 1 68 68 LEU N N 68 127.991 127.991 127.803 0.188 19687 5002 1 8 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.699 0.084 19687 5003 1 8 . 1 1 68 68 LEU CA C 68 52.795 52.795 54.267 -1.472 19687 5004 1 8 . 1 1 68 68 LEU CB C 68 44.966 44.966 44.092 0.874 19687 5005 1 8 . 1 1 68 68 LEU H H 68 8.714 8.714 8.633 0.081 19687 5006 1 8 . 1 1 69 69 ASN N N 69 125.992 125.992 126.113 -0.121 19687 5007 1 8 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.366 -0.908 19687 5008 1 8 . 1 1 69 69 ASN CA C 69 51.307 51.307 52.475 -1.168 19687 5009 1 8 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.684 -2.788 19687 5010 1 8 . 1 1 69 69 ASN H H 69 8.369 8.369 8.673 -0.304 19687 5011 1 8 . 1 1 70 70 ALA N N 70 122.336 122.336 127.045 -4.709 19687 5012 1 8 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.680 0.032 19687 5013 1 8 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.753 -1.632 19687 5014 1 8 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.038 -0.872 19687 5015 1 8 . 1 1 70 70 ALA H H 70 8.581 8.581 7.952 0.629 19687 5016 1 8 . 1 1 71 71 LYS N N 71 120.661 120.661 118.323 2.338 19687 5017 1 8 . 1 1 71 71 LYS HA H 71 4.307 4.307 5.220 -0.913 19687 5018 1 8 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.045 -0.089 19687 5019 1 8 . 1 1 71 71 LYS CB C 71 32.867 32.867 35.684 -2.817 19687 5020 1 8 . 1 1 71 71 LYS H H 71 8.558 8.558 8.412 0.146 19687 5021 1 8 . 1 1 72 72 VAL N N 72 114.526 114.526 118.292 -3.766 19687 5022 1 8 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.353 0.026 19687 5023 1 8 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.517 -1.754 19687 5024 1 8 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.705 1.520 19687 5025 1 8 . 1 1 72 72 VAL H H 72 8.384 8.384 8.181 0.203 19687 5026 1 8 . 1 1 73 73 GLY N N 73 107.198 107.198 112.840 -5.642 19687 5027 1 8 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.380 -0.026 19687 5028 1 8 . 1 1 73 73 GLY H H 73 8.036 8.036 8.650 -0.614 19687 5029 1 8 . 1 1 74 74 SER N N 74 113.743 113.743 114.277 -0.534 19687 5030 1 8 . 1 1 74 74 SER CA C 74 58.043 58.043 55.809 2.234 19687 5031 1 8 . 1 1 74 74 SER CB C 74 64.622 64.622 65.031 -0.409 19687 5032 1 8 . 1 1 74 74 SER H H 74 8.292 8.292 7.410 0.882 19687 5033 1 8 . 1 1 75 75 ALA HA H 75 4.145 4.145 3.948 0.197 19687 5034 1 8 . 1 1 75 75 ALA CA C 75 53.630 53.630 54.081 -0.451 19687 5035 1 8 . 1 1 75 75 ALA CB C 75 19.565 19.565 17.464 2.101 19687 5036 1 8 . 1 1 76 76 ASP N N 76 117.216 117.216 121.757 -4.541 19687 5037 1 8 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.733 -0.333 19687 5038 1 8 . 1 1 76 76 ASP CA C 76 55.110 55.110 53.943 1.167 19687 5039 1 8 . 1 1 76 76 ASP CB C 76 41.466 41.466 42.360 -0.894 19687 5040 1 8 . 1 1 76 76 ASP H H 76 8.189 8.189 8.227 -0.038 19687 5041 1 8 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.725 -0.624 19687 5042 1 8 . 1 1 77 77 ASP CA C 77 53.040 53.040 54.260 -1.220 19687 5043 1 8 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.439 -0.366 19687 5044 1 8 . 1 1 82 82 ALA CA C 82 53.462 53.462 51.774 1.688 19687 5045 1 8 . 1 1 82 82 ALA CB C 82 19.492 19.492 20.856 -1.364 19687 5046 1 8 . 1 1 83 83 ALA N N 83 120.555 120.555 127.359 -6.804 19687 5047 1 8 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.484 0.438 19687 5048 1 8 . 1 1 83 83 ALA CA C 83 53.158 53.158 51.266 1.892 19687 5049 1 8 . 1 1 83 83 ALA H H 83 8.048 8.048 8.353 -0.305 19687 5050 1 8 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.710 -0.609 19687 5051 1 8 . 1 1 96 96 ASP CA C 96 56.270 56.270 54.109 2.161 19687 5052 1 8 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.895 0.474 19687 5053 1 8 . 1 1 97 97 GLY N N 97 106.760 106.760 110.373 -3.613 19687 5054 1 8 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.786 1.148 19687 5055 1 8 . 1 1 97 97 GLY H H 97 8.313 8.313 8.549 -0.236 19687 5056 1 8 . 1 1 98 98 SER N N 98 114.252 114.252 113.655 0.597 19687 5057 1 8 . 1 1 98 98 SER HA H 98 4.281 4.281 4.205 0.076 19687 5058 1 8 . 1 1 98 98 SER CA C 98 59.061 59.061 59.579 -0.518 19687 5059 1 8 . 1 1 98 98 SER CB C 98 64.152 64.152 63.532 0.620 19687 5060 1 8 . 1 1 98 98 SER H H 98 8.179 8.179 7.587 0.592 19687 5061 1 8 . 1 1 99 99 VAL N N 99 119.765 119.765 123.014 -3.249 19687 5062 1 8 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.124 -0.131 19687 5063 1 8 . 1 1 99 99 VAL CA C 99 62.728 62.728 63.958 -1.230 19687 5064 1 8 . 1 1 99 99 VAL CB C 99 32.891 32.891 32.696 0.195 19687 5065 1 8 . 1 1 99 99 VAL H H 99 7.978 7.978 8.650 -0.672 19687 5066 1 8 . 1 1 100 100 ALA N N 100 126.348 126.348 123.131 3.217 19687 5067 1 8 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.483 -0.364 19687 5068 1 8 . 1 1 100 100 ALA CA C 100 52.933 52.933 52.657 0.276 19687 5069 1 8 . 1 1 100 100 ALA CB C 100 20.172 20.172 19.142 1.030 19687 5070 1 8 . 1 1 100 100 ALA H H 100 8.244 8.244 7.988 0.256 19687 5071 1 8 . 1 1 101 101 LYS N N 101 118.495 118.495 120.164 -1.669 19687 5072 1 8 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.493 -0.266 19687 5073 1 8 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.055 0.224 19687 5074 1 8 . 1 1 101 101 LYS CB C 101 33.917 33.917 33.120 0.797 19687 5075 1 8 . 1 1 101 101 LYS H H 101 8.105 8.105 8.506 -0.401 19687 5076 1 8 . 1 1 102 102 LEU N N 102 123.225 123.225 121.421 1.804 19687 5077 1 8 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.274 -0.034 19687 5078 1 8 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.470 0.730 19687 5079 1 8 . 1 1 102 102 LEU CB C 102 43.033 43.033 40.457 2.576 19687 5080 1 8 . 1 1 102 102 LEU H H 102 8.308 8.308 8.081 0.227 19687 5081 1 8 . 1 1 103 103 GLY N N 103 108.552 108.552 108.920 -0.368 19687 5082 1 8 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.571 -0.284 19687 5083 1 8 . 1 1 103 103 GLY H H 103 8.286 8.286 7.745 0.541 19687 5084 1 8 . 1 1 104 104 VAL N N 104 118.898 118.898 118.236 0.662 19687 5085 1 8 . 1 1 104 104 VAL HA H 104 4.386 4.386 3.731 0.655 19687 5086 1 8 . 1 1 104 104 VAL CA C 104 62.978 62.978 65.065 -2.087 19687 5087 1 8 . 1 1 104 104 VAL CB C 104 32.901 32.901 31.183 1.718 19687 5088 1 8 . 1 1 104 104 VAL H H 104 7.845 7.845 7.856 -0.011 19687 5089 1 8 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.815 -0.118 19687 5090 1 8 . 1 1 105 105 HIS CA C 105 55.848 55.848 55.223 0.625 19687 5091 1 8 . 1 1 105 105 HIS CB C 105 32.961 32.961 30.280 2.681 19687 5092 1 8 . 1 1 106 106 GLY N N 106 108.707 108.707 109.949 -1.242 19687 5093 1 8 . 1 1 106 106 GLY CA C 106 45.687 45.687 45.133 0.554 19687 5094 1 8 . 1 1 106 106 GLY H H 106 8.318 8.318 7.812 0.506 19687 5095 1 8 . 1 1 107 107 LEU N N 107 121.670 121.670 120.945 0.725 19687 5096 1 8 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.853 -0.451 19687 5097 1 8 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.599 0.899 19687 5098 1 8 . 1 1 107 107 LEU CB C 107 43.632 43.632 43.972 -0.340 19687 5099 1 8 . 1 1 107 107 LEU H H 107 8.191 8.191 7.905 0.286 19687 5100 1 8 . 1 1 108 108 SER N N 108 118.838 118.838 120.098 -1.260 19687 5101 1 8 . 1 1 108 108 SER HA H 108 4.704 4.704 4.753 -0.049 19687 5102 1 8 . 1 1 108 108 SER CA C 108 57.430 57.430 58.000 -0.570 19687 5103 1 8 . 1 1 108 108 SER CB C 108 65.954 65.954 65.889 0.065 19687 5104 1 8 . 1 1 108 108 SER H H 108 8.523 8.523 8.224 0.299 19687 5105 1 8 . 1 1 109 109 MET N N 109 123.671 123.671 123.794 -0.123 19687 5106 1 8 . 1 1 109 109 MET HA H 109 5.118 5.118 4.886 0.232 19687 5107 1 8 . 1 1 109 109 MET CA C 109 55.146 55.146 56.480 -1.334 19687 5108 1 8 . 1 1 109 109 MET CB C 109 35.799 35.799 34.624 1.175 19687 5109 1 8 . 1 1 109 109 MET H H 109 8.351 8.351 8.337 0.014 19687 5110 1 8 . 1 1 110 110 SER N N 110 118.211 118.211 116.741 1.470 19687 5111 1 8 . 1 1 110 110 SER HA H 110 4.668 4.668 5.049 -0.381 19687 5112 1 8 . 1 1 110 110 SER CA C 110 57.103 57.103 56.720 0.383 19687 5113 1 8 . 1 1 110 110 SER CB C 110 66.659 66.659 66.193 0.466 19687 5114 1 8 . 1 1 110 110 SER H H 110 9.061 9.061 7.852 1.209 19687 5115 1 8 . 1 1 111 111 VAL N N 111 119.042 119.042 116.682 2.360 19687 5116 1 8 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.361 -0.071 19687 5117 1 8 . 1 1 111 111 VAL CA C 111 61.166 61.166 60.679 0.487 19687 5118 1 8 . 1 1 111 111 VAL CB C 111 33.733 33.733 32.952 0.781 19687 5119 1 8 . 1 1 111 111 VAL H H 111 7.923 7.923 8.072 -0.149 19687 5120 1 8 . 1 1 112 112 LYS N N 112 126.477 126.477 125.572 0.905 19687 5121 1 8 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.579 -0.073 19687 5122 1 8 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.325 0.507 19687 5123 1 8 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.675 0.280 19687 5124 1 8 . 1 1 112 112 LYS H H 112 9.181 9.181 8.785 0.396 19687 5125 1 8 . 1 1 113 113 GLU N N 113 121.962 121.962 121.914 0.048 19687 5126 1 8 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.932 0.304 19687 5127 1 8 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.222 -0.427 19687 5128 1 8 . 1 1 113 113 GLU CB C 113 30.714 30.714 32.428 -1.714 19687 5129 1 8 . 1 1 113 113 GLU H H 113 8.410 8.410 8.509 -0.099 19687 5130 1 8 . 1 1 114 114 VAL N N 114 122.453 122.453 121.091 1.362 19687 5131 1 8 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.449 -0.289 19687 5132 1 8 . 1 1 114 114 VAL CA C 114 61.646 61.646 60.163 1.482 19687 5133 1 8 . 1 1 114 114 VAL CB C 114 35.564 35.564 35.217 0.347 19687 5134 1 8 . 1 1 114 114 VAL H H 114 8.744 8.744 8.839 -0.095 19687 5135 1 8 . 1 1 115 115 SER HA H 115 3.884 3.884 4.253 -0.369 19687 5136 1 8 . 1 1 115 115 SER CA C 115 58.726 58.726 60.352 -1.626 19687 5137 1 8 . 1 1 115 115 SER CB C 115 62.588 62.588 62.551 0.037 19687 5138 1 8 . 1 1 116 116 GLY N N 116 126.353 126.353 112.812 13.541 19687 5139 1 8 . 1 1 116 116 GLY CA C 116 45.766 45.766 46.114 -0.347 19687 5140 1 8 . 1 1 116 116 GLY H H 116 8.744 8.744 8.114 0.630 19687 5141 1 8 . 1 1 117 117 LYS N N 117 120.735 120.735 118.917 1.818 19687 5142 1 8 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.693 -0.093 19687 5143 1 8 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.926 0.347 19687 5144 1 8 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.886 -0.553 19687 5145 1 8 . 1 1 117 117 LYS H H 117 7.934 7.934 8.225 -0.291 19687 5146 1 8 . 1 1 118 118 VAL N N 118 117.642 117.642 116.780 0.862 19687 5147 1 8 . 1 1 118 118 VAL HA H 118 4.157 4.157 4.869 -0.712 19687 5148 1 8 . 1 1 118 118 VAL CA C 118 61.745 61.745 61.130 0.615 19687 5149 1 8 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.261 0.365 19687 5150 1 8 . 1 1 118 118 VAL H H 118 7.619 7.619 7.680 -0.061 19687 5151 1 8 . 1 1 119 119 PHE N N 119 121.052 121.052 125.062 -4.010 19687 5152 1 8 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.311 -0.098 19687 5153 1 8 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.789 -0.321 19687 5154 1 8 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.514 1.473 19687 5155 1 8 . 1 1 119 119 PHE H H 119 8.860 8.860 8.810 0.050 19687 5156 1 8 . 1 1 120 120 LEU N N 120 117.758 117.758 117.682 0.076 19687 5157 1 8 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.791 0.311 19687 5158 1 8 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.074 -1.081 19687 5159 1 8 . 1 1 120 120 LEU CB C 120 44.439 44.439 46.867 -2.428 19687 5160 1 8 . 1 1 120 120 LEU H H 120 8.576 8.576 8.931 -0.355 19687 5161 1 8 . 1 1 121 121 GLN N N 121 116.064 116.064 117.231 -1.167 19687 5162 1 8 . 1 1 121 121 GLN HA H 121 4.289 4.289 4.189 0.100 19687 5163 1 8 . 1 1 121 121 GLN CA C 121 54.980 54.980 53.354 1.626 19687 5164 1 8 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.085 0.957 19687 5165 1 8 . 1 1 121 121 GLN H H 121 8.481 8.481 8.083 0.398 19687 5166 1 8 . 1 1 122 122 CYS N N 122 120.052 120.052 117.150 2.902 19687 5167 1 8 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.808 0.432 19687 5168 1 8 . 1 1 122 122 CYS CA C 122 54.865 54.865 57.048 -2.183 19687 5169 1 8 . 1 1 122 122 CYS CB C 122 44.500 44.500 30.983 13.517 19687 5170 1 8 . 1 1 122 122 CYS H H 122 9.203 9.203 7.766 1.437 19687 5171 1 8 . 1 1 123 123 GLN N N 123 115.174 115.174 121.035 -5.861 19687 5172 1 8 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.670 -0.249 19687 5173 1 8 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.304 0.378 19687 5174 1 8 . 1 1 123 123 GLN CB C 123 32.613 32.613 30.039 2.574 19687 5175 1 8 . 1 1 123 123 GLN H H 123 8.106 8.106 8.530 -0.424 19687 5176 1 8 . 1 1 124 124 GLU N N 124 120.534 120.534 122.049 -1.515 19687 5177 1 8 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.485 -0.337 19687 5178 1 8 . 1 1 124 124 GLU CA C 124 55.960 55.960 54.845 1.115 19687 5179 1 8 . 1 1 124 124 GLU CB C 124 32.752 32.752 31.245 1.507 19687 5180 1 8 . 1 1 124 124 GLU H H 124 8.578 8.578 8.725 -0.147 19687 5181 1 8 . 1 1 132 132 TYR N N 132 122.981 122.981 116.924 6.057 19687 5182 1 8 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.684 -0.292 19687 5183 1 8 . 1 1 132 132 TYR CA C 132 55.015 55.015 58.021 -3.006 19687 5184 1 8 . 1 1 132 132 TYR H H 132 8.286 8.286 7.915 0.371 19687 5185 1 8 . 1 1 133 133 LEU N N 133 122.894 122.894 120.919 1.975 19687 5186 1 8 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.591 0.017 19687 5187 1 8 . 1 1 133 133 LEU CA C 133 55.155 55.155 53.831 1.324 19687 5188 1 8 . 1 1 133 133 LEU CB C 133 43.071 43.071 43.459 -0.388 19687 5189 1 8 . 1 1 133 133 LEU H H 133 8.102 8.102 8.543 -0.441 19687 5190 1 8 . 1 1 134 134 TRP N N 134 125.713 125.713 123.265 2.448 19687 5191 1 8 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.122 0.396 19687 5192 1 8 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.756 -0.350 19687 5193 1 8 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.617 -0.288 19687 5194 1 8 . 1 1 134 134 TRP H H 134 8.763 8.763 8.388 0.375 19687 5195 1 8 . 1 1 135 135 LYS N N 135 118.492 118.492 128.525 -10.033 19687 5196 1 8 . 1 1 135 135 LYS HA H 135 5.229 5.229 4.917 0.312 19687 5197 1 8 . 1 1 135 135 LYS CA C 135 55.041 55.041 53.960 1.081 19687 5198 1 8 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.544 1.472 19687 5199 1 8 . 1 1 135 135 LYS H H 135 9.321 9.321 9.019 0.302 19687 5200 1 8 . 1 1 136 136 LYS N N 136 121.232 121.232 127.373 -6.141 19687 5201 1 8 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.564 0.127 19687 5202 1 8 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.129 -0.984 19687 5203 1 8 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.357 0.658 19687 5204 1 8 . 1 1 136 136 LYS H H 136 8.509 8.509 7.763 0.746 19687 5205 1 8 . 1 1 137 137 GLY N N 137 116.933 116.933 112.247 4.686 19687 5206 1 8 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.206 0.263 19687 5207 1 8 . 1 1 137 137 GLY H H 137 8.641 8.641 8.584 0.057 19687 5208 1 8 . 1 1 138 138 LYS N N 138 124.712 124.712 118.139 6.573 19687 5209 1 8 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.422 0.004 19687 5210 1 8 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.267 0.908 19687 5211 1 8 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.707 -0.620 19687 5212 1 8 . 1 1 138 138 LYS H H 138 8.963 8.963 8.163 0.800 19687 5213 1 8 . 1 1 139 139 GLU N N 139 120.229 120.229 118.263 1.966 19687 5214 1 8 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.420 -0.247 19687 5215 1 8 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.490 1.774 19687 5216 1 8 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.229 -0.023 19687 5217 1 8 . 1 1 139 139 GLU H H 139 8.011 8.011 7.607 0.404 19687 5218 1 8 . 1 1 140 140 GLU N N 140 123.311 123.311 125.370 -2.059 19687 5219 1 8 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.952 0.266 19687 5220 1 8 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.435 0.251 19687 5221 1 8 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.130 0.374 19687 5222 1 8 . 1 1 140 140 GLU H H 140 8.811 8.811 8.514 0.297 19687 5223 1 8 . 1 1 141 141 LEU N N 141 121.782 121.782 117.861 3.921 19687 5224 1 8 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.840 -0.388 19687 5225 1 8 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.581 1.635 19687 5226 1 8 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.869 -0.658 19687 5227 1 8 . 1 1 141 141 LEU H H 141 9.291 9.291 8.244 1.047 19687 5228 1 8 . 1 1 142 142 GLY N N 142 125.924 125.924 106.353 19.571 19687 5229 1 8 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.852 -0.281 19687 5230 1 8 . 1 1 142 142 GLY H H 142 7.060 7.060 8.365 -1.305 19687 5231 1 8 . 1 1 143 143 ASN N N 143 117.181 117.181 120.141 -2.960 19687 5232 1 8 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.690 1.212 19687 5233 1 8 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.016 -1.108 19687 5234 1 8 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.507 1.826 19687 5235 1 8 . 1 1 143 143 ASN H H 143 8.472 8.472 8.377 0.095 19687 5236 1 8 . 1 1 144 144 MET N N 144 117.970 117.970 121.046 -3.076 19687 5237 1 8 . 1 1 144 144 MET HA H 144 4.747 4.747 4.909 -0.162 19687 5238 1 8 . 1 1 144 144 MET CA C 144 56.085 56.085 54.242 1.843 19687 5239 1 8 . 1 1 144 144 MET CB C 144 36.425 36.425 36.150 0.275 19687 5240 1 8 . 1 1 144 144 MET H H 144 9.270 9.270 7.904 1.366 19687 5241 1 8 . 1 1 145 145 ARG N N 145 125.032 125.032 121.797 3.235 19687 5242 1 8 . 1 1 145 145 ARG HA H 145 4.275 4.275 4.166 0.109 19687 5243 1 8 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.738 0.143 19687 5244 1 8 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.571 0.736 19687 5245 1 8 . 1 1 145 145 ARG H H 145 9.085 9.085 8.747 0.338 19687 5246 1 8 . 1 1 146 146 GLN N N 146 112.668 112.668 116.447 -3.779 19687 5247 1 8 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.457 0.447 19687 5248 1 8 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.608 -0.253 19687 5249 1 8 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.344 0.589 19687 5250 1 8 . 1 1 146 146 GLN H H 146 7.599 7.599 7.735 -0.136 19687 5251 1 8 . 1 1 147 147 LEU N N 147 122.152 122.152 127.107 -4.955 19687 5252 1 8 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.175 -0.152 19687 5253 1 8 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.242 -2.021 19687 5254 1 8 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.345 1.357 19687 5255 1 8 . 1 1 147 147 LEU H H 147 8.130 8.130 8.243 -0.113 19687 5256 1 8 . 1 1 148 148 ASP N N 148 124.520 124.520 127.011 -2.491 19687 5257 1 8 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.558 -0.637 19687 5258 1 8 . 1 1 148 148 ASP CA C 148 53.321 53.321 53.105 0.216 19687 5259 1 8 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.167 0.289 19687 5260 1 8 . 1 1 148 148 ASP H H 148 8.008 8.008 8.227 -0.219 19687 5261 1 8 . 1 1 149 149 LEU N N 149 124.941 124.941 121.900 3.041 19687 5262 1 8 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.561 -0.648 19687 5263 1 8 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.277 0.911 19687 5264 1 8 . 1 1 149 149 LEU CB C 149 42.298 42.298 41.181 1.117 19687 5265 1 8 . 1 1 149 149 LEU H H 149 8.790 8.790 8.137 0.653 19687 5266 1 8 . 1 1 150 150 GLY N N 150 108.901 108.901 106.358 2.543 19687 5267 1 8 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.517 -0.987 19687 5268 1 8 . 1 1 150 150 GLY H H 150 8.744 8.744 7.143 1.601 19687 5269 1 8 . 1 1 151 151 ALA N N 151 118.338 118.338 120.237 -1.899 19687 5270 1 8 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.613 -0.379 19687 5271 1 8 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.364 3.006 19687 5272 1 8 . 1 1 151 151 ALA CB C 151 19.150 19.150 22.001 -2.851 19687 5273 1 8 . 1 1 151 151 ALA H H 151 8.167 8.167 8.078 0.089 19687 5274 1 8 . 1 1 152 152 ILE N N 152 121.825 121.825 120.481 1.344 19687 5275 1 8 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.986 -1.076 19687 5276 1 8 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.751 0.814 19687 5277 1 8 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.842 0.747 19687 5278 1 8 . 1 1 152 152 ILE H H 152 8.269 8.269 8.042 0.227 19687 5279 1 8 . 1 1 153 153 TYR N N 153 109.544 109.544 117.760 -8.216 19687 5280 1 8 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.499 -0.380 19687 5281 1 8 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.473 1.125 19687 5282 1 8 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.263 -0.905 19687 5283 1 8 . 1 1 153 153 TYR H H 153 6.757 6.757 7.708 -0.951 19687 5284 1 8 . 1 1 154 154 ASP N N 154 117.255 117.255 121.682 -4.427 19687 5285 1 8 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.658 0.046 19687 5286 1 8 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.812 3.085 19687 5287 1 8 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.810 0.923 19687 5288 1 8 . 1 1 154 154 ASP H H 154 7.092 7.092 7.245 -0.152 19687 5289 1 8 . 1 1 155 155 ASP N N 155 115.759 115.759 120.965 -5.206 19687 5290 1 8 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.694 -0.461 19687 5291 1 8 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.731 1.769 19687 5292 1 8 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.291 -0.824 19687 5293 1 8 . 1 1 155 155 ASP H H 155 7.855 7.855 7.616 0.239 19687 5294 1 8 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.409 -0.258 19687 5295 1 8 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.373 1.112 19687 5296 1 8 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.433 -0.741 19687 5297 1 8 . 1 1 157 157 ARG N N 157 115.980 115.980 118.851 -2.871 19687 5298 1 8 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.032 1.109 19687 5299 1 8 . 1 1 157 157 ARG CA C 157 54.793 54.793 58.176 -3.383 19687 5300 1 8 . 1 1 157 157 ARG CB C 157 34.607 34.607 30.884 3.723 19687 5301 1 8 . 1 1 157 157 ARG H H 157 7.888 7.888 8.789 -0.901 19687 5302 1 8 . 1 1 158 158 GLY N N 158 106.901 106.901 104.662 2.239 19687 5303 1 8 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.183 1.428 19687 5304 1 8 . 1 1 158 158 GLY H H 158 8.344 8.344 7.122 1.222 19687 5305 1 8 . 1 1 159 159 THR N N 159 116.699 116.699 117.570 -0.871 19687 5306 1 8 . 1 1 159 159 THR CA C 159 63.319 63.319 61.351 1.968 19687 5307 1 8 . 1 1 159 159 THR CB C 159 69.870 69.870 69.368 0.502 19687 5308 1 8 . 1 1 159 159 THR H H 159 8.228 8.228 8.018 0.210 19687 5309 1 8 . 1 1 160 160 TYR N N 160 123.979 123.979 127.419 -3.440 19687 5310 1 8 . 1 1 160 160 TYR HA H 160 5.354 5.354 4.851 0.503 19687 5311 1 8 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.145 2.484 19687 5312 1 8 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.877 1.977 19687 5313 1 8 . 1 1 160 160 TYR H H 160 8.782 8.782 8.697 0.085 19687 5314 1 8 . 1 1 161 161 THR N N 161 115.752 115.752 115.713 0.039 19687 5315 1 8 . 1 1 161 161 THR HA H 161 5.509 5.509 4.995 0.514 19687 5316 1 8 . 1 1 161 161 THR CA C 161 61.354 61.354 62.318 -0.964 19687 5317 1 8 . 1 1 161 161 THR CB C 161 73.921 73.921 70.373 3.548 19687 5318 1 8 . 1 1 161 161 THR H H 161 9.096 9.096 8.921 0.175 19687 5319 1 8 . 1 1 162 162 CYS N N 162 119.476 119.476 127.362 -7.886 19687 5320 1 8 . 1 1 162 162 CYS HA H 162 4.533 4.533 4.880 -0.347 19687 5321 1 8 . 1 1 162 162 CYS CA C 162 52.737 52.737 58.355 -5.618 19687 5322 1 8 . 1 1 162 162 CYS CB C 162 43.843 43.843 28.465 15.378 19687 5323 1 8 . 1 1 162 162 CYS H H 162 8.580 8.580 8.688 -0.108 19687 5324 1 8 . 1 1 163 163 GLN N N 163 120.977 120.977 122.174 -1.197 19687 5325 1 8 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.500 0.448 19687 5326 1 8 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.342 -0.126 19687 5327 1 8 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.557 0.685 19687 5328 1 8 . 1 1 163 163 GLN H H 163 9.218 9.218 8.562 0.656 19687 5329 1 8 . 1 1 164 164 ARG N N 164 123.963 123.963 120.852 3.111 19687 5330 1 8 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.450 -0.232 19687 5331 1 8 . 1 1 164 164 ARG CA C 164 57.103 57.103 56.125 0.978 19687 5332 1 8 . 1 1 164 164 ARG CB C 164 32.737 32.737 28.963 3.773 19687 5333 1 8 . 1 1 164 164 ARG H H 164 8.546 8.546 8.730 -0.184 19687 5334 1 8 . 1 1 165 165 ASP N N 165 115.195 115.195 120.976 -5.781 19687 5335 1 8 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.714 -0.045 19687 5336 1 8 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.410 1.522 19687 5337 1 8 . 1 1 165 165 ASP CB C 165 41.643 41.643 43.315 -1.672 19687 5338 1 8 . 1 1 165 165 ASP H H 165 8.040 8.040 7.636 0.404 19687 5339 1 8 . 1 1 166 166 GLU N N 166 113.922 113.922 118.850 -4.928 19687 5340 1 8 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.077 -0.328 19687 5341 1 8 . 1 1 166 166 GLU CA C 166 59.194 59.194 57.797 1.397 19687 5342 1 8 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.988 -0.501 19687 5343 1 8 . 1 1 166 166 GLU H H 166 8.745 8.745 8.693 0.052 19687 5344 1 8 . 1 1 167 167 ASN N N 167 113.556 113.556 115.163 -1.607 19687 5345 1 8 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.885 -0.285 19687 5346 1 8 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.249 2.034 19687 5347 1 8 . 1 1 167 167 ASN CB C 167 40.577 40.577 38.636 1.941 19687 5348 1 8 . 1 1 167 167 ASN H H 167 8.540 8.540 7.766 0.774 19687 5349 1 8 . 1 1 168 168 VAL N N 168 120.903 120.903 117.350 3.553 19687 5350 1 8 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.688 0.254 19687 5351 1 8 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.802 -0.631 19687 5352 1 8 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.768 1.133 19687 5353 1 8 . 1 1 168 168 VAL H H 168 7.818 7.818 7.452 0.366 19687 5354 1 8 . 1 1 169 169 ASN N N 169 120.789 120.789 121.556 -0.767 19687 5355 1 8 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.782 0.181 19687 5356 1 8 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.426 -0.699 19687 5357 1 8 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.547 1.693 19687 5358 1 8 . 1 1 169 169 ASN H H 169 8.104 8.104 9.619 -1.515 19687 5359 1 8 . 1 1 170 170 SER N N 170 111.999 111.999 117.777 -5.778 19687 5360 1 8 . 1 1 170 170 SER HA H 170 4.505 4.505 4.453 0.052 19687 5361 1 8 . 1 1 170 170 SER CA C 170 59.066 59.066 59.497 -0.431 19687 5362 1 8 . 1 1 170 170 SER CB C 170 65.677 65.677 63.213 2.464 19687 5363 1 8 . 1 1 170 170 SER H H 170 8.104 8.104 7.729 0.375 19687 5364 1 8 . 1 1 171 171 THR N N 171 121.052 121.052 123.682 -2.630 19687 5365 1 8 . 1 1 171 171 THR HA H 171 5.430 5.430 4.559 0.871 19687 5366 1 8 . 1 1 171 171 THR CA C 171 62.194 62.194 62.372 -0.178 19687 5367 1 8 . 1 1 171 171 THR CB C 171 72.220 72.220 68.821 3.399 19687 5368 1 8 . 1 1 171 171 THR H H 171 8.397 8.397 8.159 0.238 19687 5369 1 8 . 1 1 172 172 LEU N N 172 130.063 130.063 129.314 0.749 19687 5370 1 8 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.601 0.117 19687 5371 1 8 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.429 1.403 19687 5372 1 8 . 1 1 172 172 LEU CB C 172 48.599 48.599 42.763 5.836 19687 5373 1 8 . 1 1 172 172 LEU H H 172 9.515 9.515 9.013 0.502 19687 5374 1 8 . 1 1 173 173 HIS CB C 173 27.207 27.207 32.569 -5.362 19687 5375 1 8 . 1 1 176 176 TYR N N 176 130.457 130.457 119.963 10.494 19687 5376 1 8 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.062 -0.176 19687 5377 1 8 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.873 1.755 19687 5378 1 8 . 1 1 176 176 TYR CB C 176 40.201 40.201 41.078 -0.877 19687 5379 1 8 . 1 1 176 176 TYR H H 176 7.851 7.851 8.039 -0.188 19687 5380 1 8 . 1 1 177 177 ARG N N 177 123.397 123.397 121.862 1.535 19687 5381 1 8 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.440 -0.229 19687 5382 1 8 . 1 1 177 177 ARG CA C 177 55.855 55.855 55.496 0.359 19687 5383 1 8 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.094 -0.018 19687 5384 1 8 . 1 1 177 177 ARG H H 177 8.591 8.591 8.506 0.085 19687 5385 1 9 . 1 1 5 5 GLY CA C 5 45.663 45.663 45.954 -0.291 19687 5386 1 9 . 1 1 6 6 GLN N N 6 117.952 117.952 118.648 -0.696 19687 5387 1 9 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.294 -0.095 19687 5388 1 9 . 1 1 6 6 GLN CA C 6 55.767 55.767 56.103 -0.336 19687 5389 1 9 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.730 0.453 19687 5390 1 9 . 1 1 6 6 GLN H H 6 8.143 8.143 7.876 0.267 19687 5391 1 9 . 1 1 7 7 GLU N N 7 120.150 120.150 118.494 1.656 19687 5392 1 9 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.044 0.046 19687 5393 1 9 . 1 1 7 7 GLU CA C 7 57.080 57.080 57.250 -0.170 19687 5394 1 9 . 1 1 7 7 GLU CB C 7 30.461 30.461 28.616 1.845 19687 5395 1 9 . 1 1 7 7 GLU H H 7 8.468 8.468 8.606 -0.138 19687 5396 1 9 . 1 1 8 8 GLU N N 8 117.498 117.498 117.263 0.235 19687 5397 1 9 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.011 0.429 19687 5398 1 9 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.950 -3.693 19687 5399 1 9 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.782 4.023 19687 5400 1 9 . 1 1 8 8 GLU H H 8 7.997 7.997 8.567 -0.570 19687 5401 1 9 . 1 1 9 9 PHE N N 9 121.043 121.043 117.071 3.972 19687 5402 1 9 . 1 1 9 9 PHE H H 9 8.459 8.459 7.901 0.558 19687 5403 1 9 . 1 1 10 10 ALA N N 10 120.252 120.252 116.210 4.042 19687 5404 1 9 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.076 0.526 19687 5405 1 9 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.764 -1.614 19687 5406 1 9 . 1 1 10 10 ALA CB C 10 21.300 21.300 19.099 2.201 19687 5407 1 9 . 1 1 10 10 ALA H H 10 7.566 7.566 8.188 -0.622 19687 5408 1 9 . 1 1 11 11 VAL N N 11 119.476 119.476 116.017 3.459 19687 5409 1 9 . 1 1 11 11 VAL HA H 11 4.234 4.234 5.403 -1.169 19687 5410 1 9 . 1 1 11 11 VAL CA C 11 61.953 61.953 59.781 2.172 19687 5411 1 9 . 1 1 11 11 VAL CB C 11 35.067 35.067 34.736 0.331 19687 5412 1 9 . 1 1 11 11 VAL H H 11 8.440 8.440 8.505 -0.065 19687 5413 1 9 . 1 1 12 12 GLU N N 12 126.837 126.837 126.163 0.674 19687 5414 1 9 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.740 -0.192 19687 5415 1 9 . 1 1 12 12 GLU CA C 12 55.013 55.013 54.756 0.257 19687 5416 1 9 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.383 1.140 19687 5417 1 9 . 1 1 12 12 GLU H H 12 8.787 8.787 8.824 -0.037 19687 5418 1 9 . 1 1 13 13 ILE N N 13 124.712 124.712 126.058 -1.346 19687 5419 1 9 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.252 0.256 19687 5420 1 9 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.806 -1.206 19687 5421 1 9 . 1 1 13 13 ILE CB C 13 39.900 39.900 39.167 0.733 19687 5422 1 9 . 1 1 13 13 ILE H H 13 8.753 8.753 8.741 0.012 19687 5423 1 9 . 1 1 14 14 SER N N 14 121.782 121.782 120.120 1.662 19687 5424 1 9 . 1 1 14 14 SER HA H 14 4.607 4.607 4.648 -0.041 19687 5425 1 9 . 1 1 14 14 SER CA C 14 56.398 56.398 57.950 -1.552 19687 5426 1 9 . 1 1 14 14 SER CB C 14 63.918 63.918 63.239 0.679 19687 5427 1 9 . 1 1 14 14 SER H H 14 8.475 8.475 8.830 -0.355 19687 5428 1 9 . 1 1 15 15 GLY CA C 15 47.494 47.494 46.914 0.580 19687 5429 1 9 . 1 1 16 16 THR N N 16 114.515 114.515 116.921 -2.406 19687 5430 1 9 . 1 1 16 16 THR HA H 16 4.197 4.197 4.475 -0.278 19687 5431 1 9 . 1 1 16 16 THR CA C 16 61.600 61.600 60.833 0.767 19687 5432 1 9 . 1 1 16 16 THR CB C 16 68.800 68.800 69.169 -0.369 19687 5433 1 9 . 1 1 16 16 THR H H 16 8.636 8.636 8.063 0.573 19687 5434 1 9 . 1 1 17 17 THR N N 17 118.332 118.332 117.728 0.604 19687 5435 1 9 . 1 1 17 17 THR HA H 17 5.004 5.004 5.063 -0.059 19687 5436 1 9 . 1 1 17 17 THR CA C 17 62.095 62.095 61.985 0.110 19687 5437 1 9 . 1 1 17 17 THR CB C 17 70.105 70.105 72.495 -2.390 19687 5438 1 9 . 1 1 17 17 THR H H 17 8.353 8.353 7.522 0.831 19687 5439 1 9 . 1 1 18 18 VAL N N 18 127.794 127.794 124.160 3.634 19687 5440 1 9 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.106 -0.526 19687 5441 1 9 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.504 1.795 19687 5442 1 9 . 1 1 18 18 VAL CB C 18 34.365 34.365 36.035 -1.670 19687 5443 1 9 . 1 1 18 18 VAL H H 18 8.843 8.843 8.528 0.315 19687 5444 1 9 . 1 1 19 19 THR N N 19 121.651 121.651 122.497 -0.846 19687 5445 1 9 . 1 1 19 19 THR CA C 19 62.635 62.635 59.045 3.590 19687 5446 1 9 . 1 1 19 19 THR CB C 19 69.854 69.854 70.777 -0.923 19687 5447 1 9 . 1 1 19 19 THR H H 19 8.953 8.953 8.567 0.386 19687 5448 1 9 . 1 1 20 20 ILE N N 20 106.781 106.781 126.298 -19.517 19687 5449 1 9 . 1 1 20 20 ILE HA H 20 4.063 4.063 5.178 -1.115 19687 5450 1 9 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.254 0.061 19687 5451 1 9 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.749 -0.549 19687 5452 1 9 . 1 1 20 20 ILE H H 20 9.426 9.426 8.315 1.111 19687 5453 1 9 . 1 1 21 21 THR N N 21 121.256 121.256 122.272 -1.016 19687 5454 1 9 . 1 1 21 21 THR HA H 21 5.160 5.160 4.955 0.205 19687 5455 1 9 . 1 1 21 21 THR CA C 21 62.116 62.116 61.525 0.591 19687 5456 1 9 . 1 1 21 21 THR CB C 21 70.105 70.105 69.957 0.148 19687 5457 1 9 . 1 1 21 21 THR H H 21 9.245 9.245 8.424 0.821 19687 5458 1 9 . 1 1 22 22 CYS N N 22 123.311 123.311 126.105 -2.794 19687 5459 1 9 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.484 -1.763 19687 5460 1 9 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.653 -1.720 19687 5461 1 9 . 1 1 22 22 CYS CB C 22 41.093 41.093 28.232 12.861 19687 5462 1 9 . 1 1 22 22 CYS H H 22 8.930 8.930 8.241 0.689 19687 5463 1 9 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.254 -0.584 19687 5464 1 9 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.043 1.423 19687 5465 1 9 . 1 1 23 23 PRO CB C 23 31.647 31.647 32.041 -0.394 19687 5466 1 9 . 1 1 24 24 SER N N 24 107.893 107.893 114.406 -6.513 19687 5467 1 9 . 1 1 24 24 SER HA H 24 4.289 4.289 3.966 0.323 19687 5468 1 9 . 1 1 24 24 SER CA C 24 58.121 58.121 60.194 -2.074 19687 5469 1 9 . 1 1 24 24 SER CB C 24 65.762 65.762 63.256 2.506 19687 5470 1 9 . 1 1 24 24 SER H H 24 6.307 6.307 7.299 -0.992 19687 5471 1 9 . 1 1 25 25 SER N N 25 113.836 113.836 113.721 0.115 19687 5472 1 9 . 1 1 25 25 SER HA H 25 4.469 4.469 4.513 -0.044 19687 5473 1 9 . 1 1 25 25 SER CA C 25 57.103 57.103 58.525 -1.421 19687 5474 1 9 . 1 1 25 25 SER CB C 25 65.185 65.185 65.566 -0.381 19687 5475 1 9 . 1 1 25 25 SER H H 25 8.121 8.121 8.153 -0.032 19687 5476 1 9 . 1 1 26 26 GLY N N 26 107.245 107.245 108.733 -1.488 19687 5477 1 9 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.054 0.222 19687 5478 1 9 . 1 1 26 26 GLY H H 26 8.194 8.194 7.887 0.307 19687 5479 1 9 . 1 1 27 27 ASP N N 27 116.002 116.002 120.096 -4.094 19687 5480 1 9 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.620 -0.151 19687 5481 1 9 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.563 0.660 19687 5482 1 9 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.805 0.103 19687 5483 1 9 . 1 1 27 27 ASP H H 27 8.186 8.186 8.357 -0.171 19687 5484 1 9 . 1 1 28 28 ASP N N 28 117.805 117.805 120.229 -2.424 19687 5485 1 9 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.885 -0.380 19687 5486 1 9 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.721 0.093 19687 5487 1 9 . 1 1 28 28 ASP CB C 28 40.890 40.890 41.505 -0.615 19687 5488 1 9 . 1 1 28 28 ASP H H 28 8.319 8.319 8.049 0.270 19687 5489 1 9 . 1 1 29 29 ILE N N 29 120.506 120.506 121.771 -1.265 19687 5490 1 9 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.183 0.007 19687 5491 1 9 . 1 1 29 29 ILE CA C 29 61.156 61.156 61.062 0.094 19687 5492 1 9 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.821 -0.454 19687 5493 1 9 . 1 1 29 29 ILE H H 29 7.913 7.913 8.180 -0.267 19687 5494 1 9 . 1 1 30 30 LYS N N 30 125.490 125.490 126.498 -1.008 19687 5495 1 9 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.651 0.115 19687 5496 1 9 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.677 0.076 19687 5497 1 9 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.583 1.902 19687 5498 1 9 . 1 1 30 30 LYS H H 30 8.177 8.177 7.943 0.234 19687 5499 1 9 . 1 1 31 31 TRP N N 31 121.968 121.968 125.969 -4.001 19687 5500 1 9 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.649 0.649 19687 5501 1 9 . 1 1 31 31 TRP CA C 31 57.573 57.573 57.828 -0.255 19687 5502 1 9 . 1 1 31 31 TRP CB C 31 34.076 34.076 30.607 3.469 19687 5503 1 9 . 1 1 31 31 TRP H H 31 8.752 8.752 8.711 0.041 19687 5504 1 9 . 1 1 32 32 LYS N N 32 118.343 118.343 116.852 1.491 19687 5505 1 9 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.659 -0.436 19687 5506 1 9 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.700 -2.103 19687 5507 1 9 . 1 1 32 32 LYS CB C 32 35.485 35.485 31.361 4.123 19687 5508 1 9 . 1 1 32 32 LYS H H 32 8.876 8.876 8.498 0.378 19687 5509 1 9 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.204 0.093 19687 5510 1 9 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.413 -1.121 19687 5511 1 9 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.732 3.760 19687 5512 1 9 . 1 1 34 34 ASP N N 34 119.044 119.044 113.448 5.596 19687 5513 1 9 . 1 1 34 34 ASP HA H 34 5.342 5.342 4.962 0.380 19687 5514 1 9 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.708 -1.757 19687 5515 1 9 . 1 1 34 34 ASP CB C 34 42.122 42.122 41.441 0.680 19687 5516 1 9 . 1 1 34 34 ASP H H 34 8.039 8.039 8.093 -0.054 19687 5517 1 9 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.478 -0.144 19687 5518 1 9 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.497 0.640 19687 5519 1 9 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.072 0.820 19687 5520 1 9 . 1 1 36 36 ALA N N 36 117.764 117.764 120.935 -3.171 19687 5521 1 9 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.113 0.014 19687 5522 1 9 . 1 1 36 36 ALA CA C 36 54.475 54.475 54.075 0.400 19687 5523 1 9 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.879 0.036 19687 5524 1 9 . 1 1 36 36 ALA H H 36 8.126 8.126 8.210 -0.084 19687 5525 1 9 . 1 1 37 37 LEU N N 37 115.927 115.927 111.743 4.184 19687 5526 1 9 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.463 -0.543 19687 5527 1 9 . 1 1 37 37 LEU CA C 37 55.427 55.427 53.111 2.316 19687 5528 1 9 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.471 -2.893 19687 5529 1 9 . 1 1 37 37 LEU H H 37 7.576 7.576 7.130 0.446 19687 5530 1 9 . 1 1 38 38 GLY N N 38 127.283 127.283 108.134 19.149 19687 5531 1 9 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.469 0.930 19687 5532 1 9 . 1 1 38 38 GLY H H 38 7.341 7.341 7.530 -0.189 19687 5533 1 9 . 1 1 39 39 ASP N N 39 122.925 122.925 122.597 0.328 19687 5534 1 9 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.875 -0.316 19687 5535 1 9 . 1 1 39 39 ASP CA C 39 53.733 53.733 51.907 1.826 19687 5536 1 9 . 1 1 39 39 ASP CB C 39 42.088 42.088 44.446 -2.358 19687 5537 1 9 . 1 1 39 39 ASP H H 39 9.095 9.095 8.380 0.715 19687 5538 1 9 . 1 1 40 40 ASN N N 40 122.444 122.444 120.502 1.942 19687 5539 1 9 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.498 -0.173 19687 5540 1 9 . 1 1 40 40 ASN CA C 40 56.339 56.339 55.070 1.269 19687 5541 1 9 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.181 0.256 19687 5542 1 9 . 1 1 40 40 ASN H H 40 9.267 9.267 8.688 0.579 19687 5543 1 9 . 1 1 41 41 ASN N N 41 119.328 119.328 116.706 2.622 19687 5544 1 9 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.250 0.184 19687 5545 1 9 . 1 1 41 41 ASN CA C 41 55.053 55.053 55.214 -0.161 19687 5546 1 9 . 1 1 41 41 ASN CB C 41 37.768 37.768 38.346 -0.578 19687 5547 1 9 . 1 1 41 41 ASN H H 41 8.661 8.661 9.055 -0.394 19687 5548 1 9 . 1 1 42 42 LYS N N 42 119.592 119.592 117.515 2.077 19687 5549 1 9 . 1 1 42 42 LYS HA H 42 5.586 5.586 4.890 0.696 19687 5550 1 9 . 1 1 42 42 LYS CA C 42 54.984 54.984 56.618 -1.634 19687 5551 1 9 . 1 1 42 42 LYS CB C 42 36.822 36.822 35.355 1.466 19687 5552 1 9 . 1 1 42 42 LYS H H 42 8.195 8.195 8.159 0.036 19687 5553 1 9 . 1 1 43 43 TYR N N 43 123.577 123.577 127.382 -3.805 19687 5554 1 9 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.296 -0.521 19687 5555 1 9 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.714 0.659 19687 5556 1 9 . 1 1 43 43 TYR CB C 43 40.262 40.262 39.119 1.143 19687 5557 1 9 . 1 1 43 43 TYR H H 43 8.661 8.661 9.440 -0.779 19687 5558 1 9 . 1 1 44 44 ILE N N 44 124.735 124.735 128.701 -3.966 19687 5559 1 9 . 1 1 44 44 ILE HA H 44 4.559 4.559 3.953 0.606 19687 5560 1 9 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.471 1.742 19687 5561 1 9 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.020 4.172 19687 5562 1 9 . 1 1 44 44 ILE H H 44 7.239 7.239 7.820 -0.581 19687 5563 1 9 . 1 1 45 45 ILE N N 45 126.245 126.245 127.635 -1.390 19687 5564 1 9 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.129 -0.255 19687 5565 1 9 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.914 -0.362 19687 5566 1 9 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.344 1.176 19687 5567 1 9 . 1 1 45 45 ILE H H 45 8.984 8.984 8.893 0.091 19687 5568 1 9 . 1 1 46 46 GLN N N 46 122.581 122.581 123.892 -1.311 19687 5569 1 9 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.578 -0.379 19687 5570 1 9 . 1 1 46 46 GLN CA C 46 56.207 56.207 55.172 1.035 19687 5571 1 9 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.641 -2.505 19687 5572 1 9 . 1 1 46 46 GLN H H 46 8.356 8.356 8.337 0.019 19687 5573 1 9 . 1 1 47 47 ASN N N 47 116.902 116.902 119.410 -2.508 19687 5574 1 9 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.269 -0.061 19687 5575 1 9 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.147 -0.727 19687 5576 1 9 . 1 1 47 47 ASN CB C 47 37.945 37.945 38.255 -0.310 19687 5577 1 9 . 1 1 47 47 ASN H H 47 9.115 9.115 8.778 0.337 19687 5578 1 9 . 1 1 48 48 HIS N N 48 117.711 117.711 116.861 0.850 19687 5579 1 9 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.347 0.005 19687 5580 1 9 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.859 -0.186 19687 5581 1 9 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.727 1.321 19687 5582 1 9 . 1 1 48 48 HIS H H 48 8.727 8.727 8.217 0.510 19687 5583 1 9 . 1 1 49 49 ASP N N 49 124.049 124.049 120.028 4.021 19687 5584 1 9 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.663 -0.464 19687 5585 1 9 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.062 0.748 19687 5586 1 9 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.639 -2.407 19687 5587 1 9 . 1 1 49 49 ASP H H 49 7.339 7.339 7.598 -0.259 19687 5588 1 9 . 1 1 50 50 SER N N 50 100.425 100.425 119.804 -19.379 19687 5589 1 9 . 1 1 50 50 SER HA H 50 4.100 4.100 4.404 -0.304 19687 5590 1 9 . 1 1 50 50 SER CA C 50 54.542 54.542 59.723 -5.181 19687 5591 1 9 . 1 1 50 50 SER CB C 50 61.489 61.489 62.570 -1.081 19687 5592 1 9 . 1 1 50 50 SER H H 50 5.420 5.420 8.598 -3.178 19687 5593 1 9 . 1 1 51 51 SER N N 51 115.785 115.785 119.823 -4.038 19687 5594 1 9 . 1 1 51 51 SER HA H 51 4.619 4.619 4.806 -0.187 19687 5595 1 9 . 1 1 51 51 SER CA C 51 57.320 57.320 56.757 0.563 19687 5596 1 9 . 1 1 51 51 SER CB C 51 63.171 63.171 63.610 -0.439 19687 5597 1 9 . 1 1 51 51 SER H H 51 7.543 7.543 8.016 -0.473 19687 5598 1 9 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.854 -0.411 19687 5599 1 9 . 1 1 52 52 PRO CA C 52 63.741 63.741 62.123 1.618 19687 5600 1 9 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.865 -0.044 19687 5601 1 9 . 1 1 53 53 LEU N N 53 120.506 120.506 113.957 6.549 19687 5602 1 9 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.400 0.125 19687 5603 1 9 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.590 0.110 19687 5604 1 9 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.135 3.165 19687 5605 1 9 . 1 1 53 53 LEU H H 53 8.243 8.243 7.159 1.084 19687 5606 1 9 . 1 1 54 54 THR N N 54 116.375 116.375 119.550 -3.175 19687 5607 1 9 . 1 1 54 54 THR HA H 54 5.307 5.307 4.378 0.929 19687 5608 1 9 . 1 1 54 54 THR CA C 54 61.956 61.956 63.229 -1.273 19687 5609 1 9 . 1 1 54 54 THR CB C 54 70.170 70.170 68.773 1.397 19687 5610 1 9 . 1 1 54 54 THR H H 54 7.839 7.839 8.279 -0.440 19687 5611 1 9 . 1 1 55 55 VAL N N 55 123.311 123.311 127.756 -4.445 19687 5612 1 9 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.299 0.467 19687 5613 1 9 . 1 1 55 55 VAL CA C 55 59.677 59.677 59.324 0.353 19687 5614 1 9 . 1 1 55 55 VAL CB C 55 35.987 35.987 34.683 1.304 19687 5615 1 9 . 1 1 55 55 VAL H H 55 8.941 8.941 9.009 -0.068 19687 5616 1 9 . 1 1 56 56 SER N N 56 115.664 115.664 121.687 -6.023 19687 5617 1 9 . 1 1 56 56 SER HA H 56 5.811 5.811 5.395 0.416 19687 5618 1 9 . 1 1 56 56 SER CA C 56 56.606 56.606 57.009 -0.403 19687 5619 1 9 . 1 1 56 56 SER CB C 56 67.712 67.712 65.963 1.749 19687 5620 1 9 . 1 1 56 56 SER H H 56 8.748 8.748 8.456 0.292 19687 5621 1 9 . 1 1 57 57 CYS N N 57 113.093 113.093 117.295 -4.202 19687 5622 1 9 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.293 0.663 19687 5623 1 9 . 1 1 57 57 CYS CA C 57 53.136 53.136 59.295 -6.159 19687 5624 1 9 . 1 1 57 57 CYS CB C 57 48.859 48.859 31.276 17.583 19687 5625 1 9 . 1 1 57 57 CYS H H 57 8.766 8.766 8.692 0.074 19687 5626 1 9 . 1 1 58 58 THR N N 58 115.221 115.221 122.354 -7.133 19687 5627 1 9 . 1 1 58 58 THR HA H 58 4.829 4.829 4.881 -0.052 19687 5628 1 9 . 1 1 58 58 THR CA C 58 61.394 61.394 61.779 -0.385 19687 5629 1 9 . 1 1 58 58 THR CB C 58 70.872 70.872 70.334 0.538 19687 5630 1 9 . 1 1 58 58 THR H H 58 8.440 8.440 7.968 0.472 19687 5631 1 9 . 1 1 59 59 ALA N N 59 128.540 128.540 130.071 -1.531 19687 5632 1 9 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.934 -0.492 19687 5633 1 9 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.076 0.585 19687 5634 1 9 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.502 1.728 19687 5635 1 9 . 1 1 59 59 ALA H H 59 8.489 8.489 7.997 0.492 19687 5636 1 9 . 1 1 60 60 GLY N N 60 114.199 114.199 114.291 -0.092 19687 5637 1 9 . 1 1 60 60 GLY CA C 60 47.668 47.668 46.904 0.764 19687 5638 1 9 . 1 1 60 60 GLY H H 60 9.072 9.072 8.536 0.536 19687 5639 1 9 . 1 1 61 61 ASP N N 61 122.847 122.847 125.405 -2.558 19687 5640 1 9 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.877 -0.525 19687 5641 1 9 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.514 1.091 19687 5642 1 9 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.247 0.031 19687 5643 1 9 . 1 1 61 61 ASP H H 61 8.553 8.553 8.458 0.095 19687 5644 1 9 . 1 1 62 62 GLN N N 62 117.800 117.800 119.050 -1.250 19687 5645 1 9 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.649 -0.459 19687 5646 1 9 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.521 0.836 19687 5647 1 9 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.076 -0.800 19687 5648 1 9 . 1 1 62 62 GLN H H 62 7.703 7.703 7.481 0.222 19687 5649 1 9 . 1 1 63 63 GLU N N 63 123.165 123.165 121.941 1.224 19687 5650 1 9 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.103 -0.463 19687 5651 1 9 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.519 -0.054 19687 5652 1 9 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.451 1.152 19687 5653 1 9 . 1 1 63 63 GLU H H 63 8.143 8.143 8.656 -0.513 19687 5654 1 9 . 1 1 64 64 HIS N N 64 125.182 125.182 124.652 0.530 19687 5655 1 9 . 1 1 64 64 HIS HA H 64 4.764 4.764 5.053 -0.289 19687 5656 1 9 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.187 0.090 19687 5657 1 9 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.709 -0.609 19687 5658 1 9 . 1 1 64 64 HIS H H 64 8.925 8.925 8.546 0.379 19687 5659 1 9 . 1 1 65 65 THR N N 65 120.044 120.044 113.109 6.935 19687 5660 1 9 . 1 1 65 65 THR HA H 65 4.996 4.996 5.358 -0.362 19687 5661 1 9 . 1 1 65 65 THR CA C 65 63.303 63.303 60.812 2.491 19687 5662 1 9 . 1 1 65 65 THR CB C 65 71.145 71.145 72.084 -0.939 19687 5663 1 9 . 1 1 65 65 THR H H 65 9.376 9.376 9.277 0.099 19687 5664 1 9 . 1 1 66 66 MET N N 66 126.414 126.414 121.003 5.411 19687 5665 1 9 . 1 1 66 66 MET HA H 66 5.512 5.512 5.191 0.321 19687 5666 1 9 . 1 1 66 66 MET CA C 66 52.610 52.610 55.253 -2.643 19687 5667 1 9 . 1 1 66 66 MET CB C 66 36.065 36.065 37.717 -1.652 19687 5668 1 9 . 1 1 66 66 MET H H 66 9.422 9.422 9.210 0.212 19687 5669 1 9 . 1 1 67 67 TYR N N 67 124.879 124.879 122.461 2.418 19687 5670 1 9 . 1 1 67 67 TYR HA H 67 4.807 4.807 5.142 -0.335 19687 5671 1 9 . 1 1 67 67 TYR CA C 67 57.601 57.601 57.758 -0.157 19687 5672 1 9 . 1 1 67 67 TYR CB C 67 40.700 40.700 40.170 0.530 19687 5673 1 9 . 1 1 67 67 TYR H H 67 9.023 9.023 8.415 0.608 19687 5674 1 9 . 1 1 68 68 LEU N N 68 127.991 127.991 129.272 -1.281 19687 5675 1 9 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.764 0.019 19687 5676 1 9 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.868 -1.073 19687 5677 1 9 . 1 1 68 68 LEU CB C 68 44.966 44.966 43.428 1.538 19687 5678 1 9 . 1 1 68 68 LEU H H 68 8.714 8.714 8.742 -0.028 19687 5679 1 9 . 1 1 69 69 ASN N N 69 125.992 125.992 123.454 2.538 19687 5680 1 9 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.588 -1.130 19687 5681 1 9 . 1 1 69 69 ASN CA C 69 51.307 51.307 52.018 -0.711 19687 5682 1 9 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.497 -2.601 19687 5683 1 9 . 1 1 69 69 ASN H H 69 8.369 8.369 8.453 -0.084 19687 5684 1 9 . 1 1 70 70 ALA N N 70 122.336 122.336 125.087 -2.751 19687 5685 1 9 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.760 -0.048 19687 5686 1 9 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.864 -1.743 19687 5687 1 9 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.016 -0.850 19687 5688 1 9 . 1 1 70 70 ALA H H 70 8.581 8.581 8.293 0.288 19687 5689 1 9 . 1 1 71 71 LYS N N 71 120.661 120.661 120.265 0.396 19687 5690 1 9 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.657 -0.350 19687 5691 1 9 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.081 -0.125 19687 5692 1 9 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.355 -1.488 19687 5693 1 9 . 1 1 71 71 LYS H H 71 8.558 8.558 8.335 0.223 19687 5694 1 9 . 1 1 72 72 VAL N N 72 114.526 114.526 117.883 -3.357 19687 5695 1 9 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.346 0.033 19687 5696 1 9 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.647 -1.884 19687 5697 1 9 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.744 1.481 19687 5698 1 9 . 1 1 72 72 VAL H H 72 8.384 8.384 8.288 0.096 19687 5699 1 9 . 1 1 73 73 GLY N N 73 107.198 107.198 115.004 -7.806 19687 5700 1 9 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.047 0.307 19687 5701 1 9 . 1 1 73 73 GLY H H 73 8.036 8.036 8.156 -0.120 19687 5702 1 9 . 1 1 74 74 SER N N 74 113.743 113.743 119.572 -5.829 19687 5703 1 9 . 1 1 74 74 SER CA C 74 58.043 58.043 58.048 -0.006 19687 5704 1 9 . 1 1 74 74 SER CB C 74 64.622 64.622 63.042 1.580 19687 5705 1 9 . 1 1 74 74 SER H H 74 8.292 8.292 8.355 -0.063 19687 5706 1 9 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.450 -0.305 19687 5707 1 9 . 1 1 75 75 ALA CA C 75 53.630 53.630 52.592 1.038 19687 5708 1 9 . 1 1 75 75 ALA CB C 75 19.565 19.565 19.559 0.006 19687 5709 1 9 . 1 1 76 76 ASP N N 76 117.216 117.216 119.195 -1.979 19687 5710 1 9 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.992 -0.592 19687 5711 1 9 . 1 1 76 76 ASP CA C 76 55.110 55.110 53.422 1.688 19687 5712 1 9 . 1 1 76 76 ASP CB C 76 41.466 41.466 44.093 -2.627 19687 5713 1 9 . 1 1 76 76 ASP H H 76 8.189 8.189 8.195 -0.006 19687 5714 1 9 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.935 -0.834 19687 5715 1 9 . 1 1 77 77 ASP CA C 77 53.040 53.040 53.337 -0.297 19687 5716 1 9 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.313 -0.240 19687 5717 1 9 . 1 1 82 82 ALA CA C 82 53.462 53.462 52.066 1.396 19687 5718 1 9 . 1 1 82 82 ALA CB C 82 19.492 19.492 18.749 0.743 19687 5719 1 9 . 1 1 83 83 ALA N N 83 120.555 120.555 123.485 -2.930 19687 5720 1 9 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.290 0.632 19687 5721 1 9 . 1 1 83 83 ALA CA C 83 53.158 53.158 52.017 1.141 19687 5722 1 9 . 1 1 83 83 ALA H H 83 8.048 8.048 8.273 -0.225 19687 5723 1 9 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.747 -0.646 19687 5724 1 9 . 1 1 96 96 ASP CA C 96 56.270 56.270 53.423 2.847 19687 5725 1 9 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.326 1.043 19687 5726 1 9 . 1 1 97 97 GLY N N 97 106.760 106.760 106.996 -0.236 19687 5727 1 9 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.478 1.456 19687 5728 1 9 . 1 1 97 97 GLY H H 97 8.313 8.313 8.898 -0.585 19687 5729 1 9 . 1 1 98 98 SER N N 98 114.252 114.252 115.224 -0.972 19687 5730 1 9 . 1 1 98 98 SER HA H 98 4.281 4.281 4.757 -0.476 19687 5731 1 9 . 1 1 98 98 SER CA C 98 59.061 59.061 57.723 1.338 19687 5732 1 9 . 1 1 98 98 SER CB C 98 64.152 64.152 65.748 -1.596 19687 5733 1 9 . 1 1 98 98 SER H H 98 8.179 8.179 8.525 -0.346 19687 5734 1 9 . 1 1 99 99 VAL N N 99 119.765 119.765 122.577 -2.812 19687 5735 1 9 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.470 -0.476 19687 5736 1 9 . 1 1 99 99 VAL CA C 99 62.728 62.728 62.380 0.347 19687 5737 1 9 . 1 1 99 99 VAL CB C 99 32.891 32.891 32.643 0.248 19687 5738 1 9 . 1 1 99 99 VAL H H 99 7.978 7.978 8.646 -0.668 19687 5739 1 9 . 1 1 100 100 ALA N N 100 126.348 126.348 121.439 4.909 19687 5740 1 9 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.468 -0.349 19687 5741 1 9 . 1 1 100 100 ALA CA C 100 52.933 52.933 51.929 1.004 19687 5742 1 9 . 1 1 100 100 ALA CB C 100 20.172 20.172 19.666 0.506 19687 5743 1 9 . 1 1 100 100 ALA H H 100 8.244 8.244 7.671 0.573 19687 5744 1 9 . 1 1 101 101 LYS N N 101 118.495 118.495 120.367 -1.872 19687 5745 1 9 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.467 -0.240 19687 5746 1 9 . 1 1 101 101 LYS CA C 101 56.279 56.279 55.950 0.329 19687 5747 1 9 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.649 1.268 19687 5748 1 9 . 1 1 101 101 LYS H H 101 8.105 8.105 8.043 0.062 19687 5749 1 9 . 1 1 102 102 LEU N N 102 123.225 123.225 122.152 1.073 19687 5750 1 9 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.521 -0.281 19687 5751 1 9 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.025 1.175 19687 5752 1 9 . 1 1 102 102 LEU CB C 102 43.033 43.033 40.780 2.253 19687 5753 1 9 . 1 1 102 102 LEU H H 102 8.308 8.308 8.115 0.193 19687 5754 1 9 . 1 1 103 103 GLY N N 103 108.552 108.552 112.939 -4.387 19687 5755 1 9 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.992 -0.706 19687 5756 1 9 . 1 1 103 103 GLY H H 103 8.286 8.286 8.375 -0.089 19687 5757 1 9 . 1 1 104 104 VAL N N 104 118.898 118.898 120.330 -1.432 19687 5758 1 9 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.282 0.104 19687 5759 1 9 . 1 1 104 104 VAL CA C 104 62.978 62.978 61.296 1.682 19687 5760 1 9 . 1 1 104 104 VAL CB C 104 32.901 32.901 30.575 2.326 19687 5761 1 9 . 1 1 104 104 VAL H H 104 7.845 7.845 8.198 -0.353 19687 5762 1 9 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.304 0.393 19687 5763 1 9 . 1 1 105 105 HIS CA C 105 55.848 55.848 56.781 -0.933 19687 5764 1 9 . 1 1 105 105 HIS CB C 105 32.961 32.961 27.791 5.170 19687 5765 1 9 . 1 1 106 106 GLY N N 106 108.707 108.707 107.909 0.798 19687 5766 1 9 . 1 1 106 106 GLY CA C 106 45.687 45.687 44.903 0.784 19687 5767 1 9 . 1 1 106 106 GLY H H 106 8.318 8.318 8.156 0.162 19687 5768 1 9 . 1 1 107 107 LEU N N 107 121.670 121.670 120.320 1.350 19687 5769 1 9 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.806 -0.404 19687 5770 1 9 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.868 0.629 19687 5771 1 9 . 1 1 107 107 LEU CB C 107 43.632 43.632 45.701 -2.069 19687 5772 1 9 . 1 1 107 107 LEU H H 107 8.191 8.191 8.204 -0.013 19687 5773 1 9 . 1 1 108 108 SER N N 108 118.838 118.838 118.660 0.178 19687 5774 1 9 . 1 1 108 108 SER HA H 108 4.704 4.704 4.671 0.033 19687 5775 1 9 . 1 1 108 108 SER CA C 108 57.430 57.430 57.357 0.073 19687 5776 1 9 . 1 1 108 108 SER CB C 108 65.954 65.954 63.817 2.137 19687 5777 1 9 . 1 1 108 108 SER H H 108 8.523 8.523 8.385 0.138 19687 5778 1 9 . 1 1 109 109 MET N N 109 123.671 123.671 126.827 -3.156 19687 5779 1 9 . 1 1 109 109 MET HA H 109 5.118 5.118 4.587 0.531 19687 5780 1 9 . 1 1 109 109 MET CA C 109 55.146 55.146 55.682 -0.536 19687 5781 1 9 . 1 1 109 109 MET CB C 109 35.799 35.799 33.705 2.095 19687 5782 1 9 . 1 1 109 109 MET H H 109 8.351 8.351 8.518 -0.167 19687 5783 1 9 . 1 1 110 110 SER N N 110 118.211 118.211 114.941 3.270 19687 5784 1 9 . 1 1 110 110 SER HA H 110 4.668 4.668 5.083 -0.415 19687 5785 1 9 . 1 1 110 110 SER CA C 110 57.103 57.103 56.997 0.106 19687 5786 1 9 . 1 1 110 110 SER CB C 110 66.659 66.659 66.509 0.150 19687 5787 1 9 . 1 1 110 110 SER H H 110 9.061 9.061 8.192 0.869 19687 5788 1 9 . 1 1 111 111 VAL N N 111 119.042 119.042 116.167 2.875 19687 5789 1 9 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.467 -0.177 19687 5790 1 9 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.985 1.181 19687 5791 1 9 . 1 1 111 111 VAL CB C 111 33.733 33.733 34.530 -0.797 19687 5792 1 9 . 1 1 111 111 VAL H H 111 7.923 7.923 8.268 -0.345 19687 5793 1 9 . 1 1 112 112 LYS N N 112 126.477 126.477 123.530 2.947 19687 5794 1 9 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.587 -0.081 19687 5795 1 9 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.686 0.146 19687 5796 1 9 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.253 0.702 19687 5797 1 9 . 1 1 112 112 LYS H H 112 9.181 9.181 8.894 0.287 19687 5798 1 9 . 1 1 113 113 GLU N N 113 121.962 121.962 122.761 -0.799 19687 5799 1 9 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.902 0.334 19687 5800 1 9 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.220 -0.425 19687 5801 1 9 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.412 -0.698 19687 5802 1 9 . 1 1 113 113 GLU H H 113 8.410 8.410 8.687 -0.277 19687 5803 1 9 . 1 1 114 114 VAL N N 114 122.453 122.453 122.989 -0.536 19687 5804 1 9 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.554 -0.394 19687 5805 1 9 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.889 1.757 19687 5806 1 9 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.300 1.264 19687 5807 1 9 . 1 1 114 114 VAL H H 114 8.744 8.744 8.367 0.377 19687 5808 1 9 . 1 1 115 115 SER HA H 115 3.884 3.884 4.253 -0.369 19687 5809 1 9 . 1 1 115 115 SER CA C 115 58.726 58.726 60.069 -1.343 19687 5810 1 9 . 1 1 115 115 SER CB C 115 62.588 62.588 62.595 -0.007 19687 5811 1 9 . 1 1 116 116 GLY N N 116 126.353 126.353 112.547 13.806 19687 5812 1 9 . 1 1 116 116 GLY CA C 116 45.766 45.766 46.037 -0.271 19687 5813 1 9 . 1 1 116 116 GLY H H 116 8.744 8.744 8.148 0.596 19687 5814 1 9 . 1 1 117 117 LYS N N 117 120.735 120.735 118.907 1.828 19687 5815 1 9 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.676 -0.076 19687 5816 1 9 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.858 0.415 19687 5817 1 9 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.835 -0.502 19687 5818 1 9 . 1 1 117 117 LYS H H 117 7.934 7.934 8.218 -0.284 19687 5819 1 9 . 1 1 118 118 VAL N N 118 117.642 117.642 116.867 0.775 19687 5820 1 9 . 1 1 118 118 VAL HA H 118 4.157 4.157 4.788 -0.631 19687 5821 1 9 . 1 1 118 118 VAL CA C 118 61.745 61.745 61.046 0.699 19687 5822 1 9 . 1 1 118 118 VAL CB C 118 33.627 33.627 32.950 0.677 19687 5823 1 9 . 1 1 118 118 VAL H H 118 7.619 7.619 7.660 -0.041 19687 5824 1 9 . 1 1 119 119 PHE N N 119 121.052 121.052 125.085 -4.033 19687 5825 1 9 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.647 -0.434 19687 5826 1 9 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.422 0.045 19687 5827 1 9 . 1 1 119 119 PHE CB C 119 42.987 42.987 42.701 0.286 19687 5828 1 9 . 1 1 119 119 PHE H H 119 8.860 8.860 8.379 0.481 19687 5829 1 9 . 1 1 120 120 LEU N N 120 117.758 117.758 114.012 3.746 19687 5830 1 9 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.846 0.256 19687 5831 1 9 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.553 -1.560 19687 5832 1 9 . 1 1 120 120 LEU CB C 120 44.439 44.439 44.406 0.033 19687 5833 1 9 . 1 1 120 120 LEU H H 120 8.576 8.576 8.456 0.120 19687 5834 1 9 . 1 1 121 121 GLN N N 121 116.064 116.064 117.371 -1.307 19687 5835 1 9 . 1 1 121 121 GLN HA H 121 4.289 4.289 4.274 0.015 19687 5836 1 9 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.351 0.629 19687 5837 1 9 . 1 1 121 121 GLN CB C 121 33.042 33.042 31.587 1.455 19687 5838 1 9 . 1 1 121 121 GLN H H 121 8.481 8.481 7.947 0.534 19687 5839 1 9 . 1 1 122 122 CYS N N 122 120.052 120.052 116.487 3.565 19687 5840 1 9 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.780 0.460 19687 5841 1 9 . 1 1 122 122 CYS CA C 122 54.865 54.865 57.451 -2.586 19687 5842 1 9 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.806 12.694 19687 5843 1 9 . 1 1 122 122 CYS H H 122 9.203 9.203 7.660 1.543 19687 5844 1 9 . 1 1 123 123 GLN N N 123 115.174 115.174 120.566 -5.392 19687 5845 1 9 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.559 -0.138 19687 5846 1 9 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.718 -0.036 19687 5847 1 9 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.735 2.878 19687 5848 1 9 . 1 1 123 123 GLN H H 123 8.106 8.106 8.595 -0.489 19687 5849 1 9 . 1 1 124 124 GLU N N 124 120.534 120.534 125.984 -5.450 19687 5850 1 9 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.503 -0.355 19687 5851 1 9 . 1 1 124 124 GLU CA C 124 55.960 55.960 58.278 -2.317 19687 5852 1 9 . 1 1 124 124 GLU CB C 124 32.752 32.752 30.937 1.815 19687 5853 1 9 . 1 1 124 124 GLU H H 124 8.578 8.578 8.886 -0.308 19687 5854 1 9 . 1 1 132 132 TYR N N 132 122.981 122.981 120.125 2.856 19687 5855 1 9 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.554 -0.162 19687 5856 1 9 . 1 1 132 132 TYR CA C 132 55.015 55.015 57.114 -2.099 19687 5857 1 9 . 1 1 132 132 TYR H H 132 8.286 8.286 8.100 0.186 19687 5858 1 9 . 1 1 133 133 LEU N N 133 122.894 122.894 118.565 4.329 19687 5859 1 9 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.680 -0.072 19687 5860 1 9 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.190 0.965 19687 5861 1 9 . 1 1 133 133 LEU CB C 133 43.071 43.071 44.450 -1.379 19687 5862 1 9 . 1 1 133 133 LEU H H 133 8.102 8.102 8.622 -0.520 19687 5863 1 9 . 1 1 134 134 TRP N N 134 125.713 125.713 126.654 -0.941 19687 5864 1 9 . 1 1 134 134 TRP HA H 134 5.518 5.518 4.946 0.572 19687 5865 1 9 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.848 -0.442 19687 5866 1 9 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.454 -0.125 19687 5867 1 9 . 1 1 134 134 TRP H H 134 8.763 8.763 8.276 0.487 19687 5868 1 9 . 1 1 135 135 LYS N N 135 118.492 118.492 128.633 -10.141 19687 5869 1 9 . 1 1 135 135 LYS HA H 135 5.229 5.229 4.997 0.232 19687 5870 1 9 . 1 1 135 135 LYS CA C 135 55.041 55.041 53.957 1.084 19687 5871 1 9 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.403 1.613 19687 5872 1 9 . 1 1 135 135 LYS H H 135 9.321 9.321 9.028 0.293 19687 5873 1 9 . 1 1 136 136 LYS N N 136 121.232 121.232 127.112 -5.880 19687 5874 1 9 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.439 0.252 19687 5875 1 9 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.126 -0.981 19687 5876 1 9 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.117 0.898 19687 5877 1 9 . 1 1 136 136 LYS H H 136 8.509 8.509 7.749 0.760 19687 5878 1 9 . 1 1 137 137 GLY N N 137 116.933 116.933 111.173 5.760 19687 5879 1 9 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.283 0.186 19687 5880 1 9 . 1 1 137 137 GLY H H 137 8.641 8.641 8.540 0.101 19687 5881 1 9 . 1 1 138 138 LYS N N 138 124.712 124.712 117.907 6.805 19687 5882 1 9 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.450 -0.024 19687 5883 1 9 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.095 1.079 19687 5884 1 9 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.585 -0.498 19687 5885 1 9 . 1 1 138 138 LYS H H 138 8.963 8.963 8.168 0.795 19687 5886 1 9 . 1 1 139 139 GLU N N 139 120.229 120.229 118.481 1.748 19687 5887 1 9 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.438 -0.265 19687 5888 1 9 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.490 1.774 19687 5889 1 9 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.310 -0.104 19687 5890 1 9 . 1 1 139 139 GLU H H 139 8.011 8.011 7.579 0.432 19687 5891 1 9 . 1 1 140 140 GLU N N 140 123.311 123.311 124.596 -1.285 19687 5892 1 9 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.986 0.232 19687 5893 1 9 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.768 -0.082 19687 5894 1 9 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.110 0.393 19687 5895 1 9 . 1 1 140 140 GLU H H 140 8.811 8.811 8.632 0.179 19687 5896 1 9 . 1 1 141 141 LEU N N 141 121.782 121.782 117.714 4.068 19687 5897 1 9 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.833 -0.381 19687 5898 1 9 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.385 1.831 19687 5899 1 9 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.406 -0.195 19687 5900 1 9 . 1 1 141 141 LEU H H 141 9.291 9.291 7.943 1.348 19687 5901 1 9 . 1 1 142 142 GLY N N 142 125.924 125.924 106.426 19.498 19687 5902 1 9 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.871 -0.300 19687 5903 1 9 . 1 1 142 142 GLY H H 142 7.060 7.060 8.410 -1.350 19687 5904 1 9 . 1 1 143 143 ASN N N 143 117.181 117.181 119.686 -2.505 19687 5905 1 9 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.773 1.129 19687 5906 1 9 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.128 -1.220 19687 5907 1 9 . 1 1 143 143 ASN CB C 143 40.333 40.333 38.544 1.789 19687 5908 1 9 . 1 1 143 143 ASN H H 143 8.472 8.472 8.398 0.074 19687 5909 1 9 . 1 1 144 144 MET N N 144 117.970 117.970 120.307 -2.337 19687 5910 1 9 . 1 1 144 144 MET HA H 144 4.747 4.747 4.842 -0.095 19687 5911 1 9 . 1 1 144 144 MET CA C 144 56.085 56.085 53.838 2.247 19687 5912 1 9 . 1 1 144 144 MET CB C 144 36.425 36.425 36.405 0.020 19687 5913 1 9 . 1 1 144 144 MET H H 144 9.270 9.270 7.928 1.342 19687 5914 1 9 . 1 1 145 145 ARG N N 145 125.032 125.032 122.113 2.919 19687 5915 1 9 . 1 1 145 145 ARG HA H 145 4.275 4.275 3.676 0.599 19687 5916 1 9 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.760 0.121 19687 5917 1 9 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.535 0.772 19687 5918 1 9 . 1 1 145 145 ARG H H 145 9.085 9.085 8.597 0.488 19687 5919 1 9 . 1 1 146 146 GLN N N 146 112.668 112.668 116.463 -3.795 19687 5920 1 9 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.392 0.512 19687 5921 1 9 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.441 -0.086 19687 5922 1 9 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.223 0.710 19687 5923 1 9 . 1 1 146 146 GLN H H 146 7.599 7.599 7.522 0.077 19687 5924 1 9 . 1 1 147 147 LEU N N 147 122.152 122.152 127.986 -5.834 19687 5925 1 9 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.217 -0.194 19687 5926 1 9 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.070 -1.849 19687 5927 1 9 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.489 1.213 19687 5928 1 9 . 1 1 147 147 LEU H H 147 8.130 8.130 8.470 -0.340 19687 5929 1 9 . 1 1 148 148 ASP N N 148 124.520 124.520 124.295 0.225 19687 5930 1 9 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.509 -0.588 19687 5931 1 9 . 1 1 148 148 ASP CA C 148 53.321 53.321 52.281 1.040 19687 5932 1 9 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.439 0.017 19687 5933 1 9 . 1 1 148 148 ASP H H 148 8.008 8.008 7.900 0.108 19687 5934 1 9 . 1 1 149 149 LEU N N 149 124.941 124.941 122.996 1.945 19687 5935 1 9 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.366 -0.453 19687 5936 1 9 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.086 1.102 19687 5937 1 9 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.074 2.224 19687 5938 1 9 . 1 1 149 149 LEU H H 149 8.790 8.790 7.862 0.928 19687 5939 1 9 . 1 1 150 150 GLY N N 150 108.901 108.901 106.144 2.757 19687 5940 1 9 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.637 -1.107 19687 5941 1 9 . 1 1 150 150 GLY H H 150 8.744 8.744 7.034 1.710 19687 5942 1 9 . 1 1 151 151 ALA N N 151 118.338 118.338 120.385 -2.047 19687 5943 1 9 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.678 -0.444 19687 5944 1 9 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.364 3.006 19687 5945 1 9 . 1 1 151 151 ALA CB C 151 19.150 19.150 22.059 -2.909 19687 5946 1 9 . 1 1 151 151 ALA H H 151 8.167 8.167 7.927 0.240 19687 5947 1 9 . 1 1 152 152 ILE N N 152 121.825 121.825 121.583 0.242 19687 5948 1 9 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.896 -0.986 19687 5949 1 9 . 1 1 152 152 ILE CA C 152 65.565 65.565 65.143 0.422 19687 5950 1 9 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.779 0.809 19687 5951 1 9 . 1 1 152 152 ILE H H 152 8.269 8.269 8.122 0.147 19687 5952 1 9 . 1 1 153 153 TYR N N 153 109.544 109.544 117.845 -8.301 19687 5953 1 9 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.513 -0.394 19687 5954 1 9 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.799 0.799 19687 5955 1 9 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.256 -0.898 19687 5956 1 9 . 1 1 153 153 TYR H H 153 6.757 6.757 7.646 -0.889 19687 5957 1 9 . 1 1 154 154 ASP N N 154 117.255 117.255 121.634 -4.379 19687 5958 1 9 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.661 0.043 19687 5959 1 9 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.777 3.120 19687 5960 1 9 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.756 0.977 19687 5961 1 9 . 1 1 154 154 ASP H H 154 7.092 7.092 7.298 -0.206 19687 5962 1 9 . 1 1 155 155 ASP N N 155 115.759 115.759 121.119 -5.360 19687 5963 1 9 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.771 -0.538 19687 5964 1 9 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.810 1.690 19687 5965 1 9 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.326 -0.859 19687 5966 1 9 . 1 1 155 155 ASP H H 155 7.855 7.855 7.645 0.210 19687 5967 1 9 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.388 -0.237 19687 5968 1 9 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.644 0.841 19687 5969 1 9 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.603 -0.911 19687 5970 1 9 . 1 1 157 157 ARG N N 157 115.980 115.980 118.985 -3.005 19687 5971 1 9 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.610 0.531 19687 5972 1 9 . 1 1 157 157 ARG CA C 157 54.793 54.793 54.591 0.202 19687 5973 1 9 . 1 1 157 157 ARG CB C 157 34.607 34.607 29.853 4.754 19687 5974 1 9 . 1 1 157 157 ARG H H 157 7.888 7.888 8.729 -0.841 19687 5975 1 9 . 1 1 158 158 GLY N N 158 106.901 106.901 108.948 -2.047 19687 5976 1 9 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.849 0.762 19687 5977 1 9 . 1 1 158 158 GLY H H 158 8.344 8.344 7.726 0.618 19687 5978 1 9 . 1 1 159 159 THR N N 159 116.699 116.699 115.218 1.481 19687 5979 1 9 . 1 1 159 159 THR CA C 159 63.319 63.319 62.119 1.200 19687 5980 1 9 . 1 1 159 159 THR CB C 159 69.870 69.870 69.902 -0.032 19687 5981 1 9 . 1 1 159 159 THR H H 159 8.228 8.228 8.247 -0.019 19687 5982 1 9 . 1 1 160 160 TYR N N 160 123.979 123.979 124.153 -0.174 19687 5983 1 9 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.140 0.214 19687 5984 1 9 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.068 2.561 19687 5985 1 9 . 1 1 160 160 TYR CB C 160 43.854 43.854 40.910 2.943 19687 5986 1 9 . 1 1 160 160 TYR H H 160 8.782 8.782 7.960 0.822 19687 5987 1 9 . 1 1 161 161 THR N N 161 115.752 115.752 115.357 0.395 19687 5988 1 9 . 1 1 161 161 THR HA H 161 5.509 5.509 5.214 0.295 19687 5989 1 9 . 1 1 161 161 THR CA C 161 61.354 61.354 62.085 -0.731 19687 5990 1 9 . 1 1 161 161 THR CB C 161 73.921 73.921 71.120 2.801 19687 5991 1 9 . 1 1 161 161 THR H H 161 9.096 9.096 8.912 0.184 19687 5992 1 9 . 1 1 162 162 CYS N N 162 119.476 119.476 125.529 -6.053 19687 5993 1 9 . 1 1 162 162 CYS HA H 162 4.533 4.533 4.936 -0.403 19687 5994 1 9 . 1 1 162 162 CYS CA C 162 52.737 52.737 57.767 -5.030 19687 5995 1 9 . 1 1 162 162 CYS CB C 162 43.843 43.843 30.911 12.932 19687 5996 1 9 . 1 1 162 162 CYS H H 162 8.580 8.580 9.169 -0.589 19687 5997 1 9 . 1 1 163 163 GLN N N 163 120.977 120.977 123.612 -2.635 19687 5998 1 9 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.813 0.135 19687 5999 1 9 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.633 -0.417 19687 6000 1 9 . 1 1 163 163 GLN CB C 163 33.242 33.242 31.813 1.429 19687 6001 1 9 . 1 1 163 163 GLN H H 163 9.218 9.218 8.548 0.670 19687 6002 1 9 . 1 1 164 164 ARG N N 164 123.963 123.963 120.405 3.558 19687 6003 1 9 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.318 -0.100 19687 6004 1 9 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.886 -0.784 19687 6005 1 9 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.717 2.020 19687 6006 1 9 . 1 1 164 164 ARG H H 164 8.546 8.546 8.681 -0.135 19687 6007 1 9 . 1 1 165 165 ASP N N 165 115.195 115.195 116.135 -0.940 19687 6008 1 9 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.696 -0.027 19687 6009 1 9 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.306 1.625 19687 6010 1 9 . 1 1 165 165 ASP CB C 165 41.643 41.643 42.313 -0.670 19687 6011 1 9 . 1 1 165 165 ASP H H 165 8.040 8.040 7.720 0.320 19687 6012 1 9 . 1 1 166 166 GLU N N 166 113.922 113.922 119.937 -6.015 19687 6013 1 9 . 1 1 166 166 GLU HA H 166 3.749 3.749 3.964 -0.215 19687 6014 1 9 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.116 0.078 19687 6015 1 9 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.194 0.292 19687 6016 1 9 . 1 1 166 166 GLU H H 166 8.745 8.745 8.767 -0.022 19687 6017 1 9 . 1 1 167 167 ASN N N 167 113.556 113.556 119.519 -5.963 19687 6018 1 9 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.638 -0.038 19687 6019 1 9 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.875 1.408 19687 6020 1 9 . 1 1 167 167 ASN CB C 167 40.577 40.577 37.281 3.296 19687 6021 1 9 . 1 1 167 167 ASN H H 167 8.540 8.540 8.383 0.157 19687 6022 1 9 . 1 1 168 168 VAL N N 168 120.903 120.903 116.341 4.562 19687 6023 1 9 . 1 1 168 168 VAL HA H 168 3.942 3.942 4.010 -0.068 19687 6024 1 9 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.681 -0.510 19687 6025 1 9 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.968 0.933 19687 6026 1 9 . 1 1 168 168 VAL H H 168 7.818 7.818 7.680 0.138 19687 6027 1 9 . 1 1 169 169 ASN N N 169 120.789 120.789 122.088 -1.299 19687 6028 1 9 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.694 0.269 19687 6029 1 9 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.689 -0.962 19687 6030 1 9 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.553 1.687 19687 6031 1 9 . 1 1 169 169 ASN H H 169 8.104 8.104 8.935 -0.831 19687 6032 1 9 . 1 1 170 170 SER N N 170 111.999 111.999 117.762 -5.763 19687 6033 1 9 . 1 1 170 170 SER HA H 170 4.505 4.505 4.484 0.021 19687 6034 1 9 . 1 1 170 170 SER CA C 170 59.066 59.066 59.387 -0.321 19687 6035 1 9 . 1 1 170 170 SER CB C 170 65.677 65.677 63.105 2.572 19687 6036 1 9 . 1 1 170 170 SER H H 170 8.104 8.104 8.010 0.094 19687 6037 1 9 . 1 1 171 171 THR N N 171 121.052 121.052 125.261 -4.209 19687 6038 1 9 . 1 1 171 171 THR HA H 171 5.430 5.430 4.564 0.866 19687 6039 1 9 . 1 1 171 171 THR CA C 171 62.194 62.194 63.016 -0.822 19687 6040 1 9 . 1 1 171 171 THR CB C 171 72.220 72.220 69.239 2.981 19687 6041 1 9 . 1 1 171 171 THR H H 171 8.397 8.397 8.273 0.124 19687 6042 1 9 . 1 1 172 172 LEU N N 172 130.063 130.063 129.592 0.471 19687 6043 1 9 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.968 -0.250 19687 6044 1 9 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.122 1.710 19687 6045 1 9 . 1 1 172 172 LEU CB C 172 48.599 48.599 43.483 5.116 19687 6046 1 9 . 1 1 172 172 LEU H H 172 9.515 9.515 9.111 0.404 19687 6047 1 9 . 1 1 173 173 HIS CB C 173 27.207 27.207 32.664 -5.457 19687 6048 1 9 . 1 1 176 176 TYR N N 176 130.457 130.457 116.672 13.785 19687 6049 1 9 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.364 -0.478 19687 6050 1 9 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.033 2.595 19687 6051 1 9 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.671 -0.470 19687 6052 1 9 . 1 1 176 176 TYR H H 176 7.851 7.851 7.781 0.070 19687 6053 1 9 . 1 1 177 177 ARG N N 177 123.397 123.397 123.283 0.114 19687 6054 1 9 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.424 -0.213 19687 6055 1 9 . 1 1 177 177 ARG CA C 177 55.855 55.855 56.290 -0.435 19687 6056 1 9 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.865 -0.789 19687 6057 1 9 . 1 1 177 177 ARG H H 177 8.591 8.591 9.140 -0.549 19687 6058 1 10 . 1 1 5 5 GLY CA C 5 45.663 45.663 46.281 -0.618 19687 6059 1 10 . 1 1 6 6 GLN N N 6 117.952 117.952 121.914 -3.962 19687 6060 1 10 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.287 -0.088 19687 6061 1 10 . 1 1 6 6 GLN CA C 6 55.767 55.767 55.456 0.311 19687 6062 1 10 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.365 0.818 19687 6063 1 10 . 1 1 6 6 GLN H H 6 8.143 8.143 8.556 -0.413 19687 6064 1 10 . 1 1 7 7 GLU N N 7 120.150 120.150 118.106 2.044 19687 6065 1 10 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.140 -0.050 19687 6066 1 10 . 1 1 7 7 GLU CA C 7 57.080 57.080 57.056 0.024 19687 6067 1 10 . 1 1 7 7 GLU CB C 7 30.461 30.461 27.857 2.604 19687 6068 1 10 . 1 1 7 7 GLU H H 7 8.468 8.468 8.692 -0.224 19687 6069 1 10 . 1 1 8 8 GLU N N 8 117.498 117.498 118.098 -0.600 19687 6070 1 10 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.192 0.248 19687 6071 1 10 . 1 1 8 8 GLU CA C 8 55.256 55.256 57.972 -2.716 19687 6072 1 10 . 1 1 8 8 GLU CB C 8 33.805 33.805 30.339 3.466 19687 6073 1 10 . 1 1 8 8 GLU H H 8 7.997 7.997 8.385 -0.388 19687 6074 1 10 . 1 1 9 9 PHE N N 9 121.043 121.043 118.358 2.685 19687 6075 1 10 . 1 1 9 9 PHE H H 9 8.459 8.459 8.244 0.215 19687 6076 1 10 . 1 1 10 10 ALA N N 10 120.252 120.252 119.159 1.093 19687 6077 1 10 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.001 0.601 19687 6078 1 10 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.505 -1.355 19687 6079 1 10 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.289 4.011 19687 6080 1 10 . 1 1 10 10 ALA H H 10 7.566 7.566 8.290 -0.724 19687 6081 1 10 . 1 1 11 11 VAL N N 11 119.476 119.476 116.813 2.663 19687 6082 1 10 . 1 1 11 11 VAL HA H 11 4.234 4.234 4.984 -0.750 19687 6083 1 10 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.846 1.107 19687 6084 1 10 . 1 1 11 11 VAL CB C 11 35.067 35.067 33.140 1.927 19687 6085 1 10 . 1 1 11 11 VAL H H 11 8.440 8.440 8.046 0.394 19687 6086 1 10 . 1 1 12 12 GLU N N 12 126.837 126.837 127.289 -0.452 19687 6087 1 10 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.677 -0.129 19687 6088 1 10 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.069 -0.056 19687 6089 1 10 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.161 1.362 19687 6090 1 10 . 1 1 12 12 GLU H H 12 8.787 8.787 8.795 -0.008 19687 6091 1 10 . 1 1 13 13 ILE N N 13 124.712 124.712 125.626 -0.914 19687 6092 1 10 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.201 0.307 19687 6093 1 10 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.573 -0.973 19687 6094 1 10 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.887 1.013 19687 6095 1 10 . 1 1 13 13 ILE H H 13 8.753 8.753 8.474 0.279 19687 6096 1 10 . 1 1 14 14 SER N N 14 121.782 121.782 118.227 3.555 19687 6097 1 10 . 1 1 14 14 SER HA H 14 4.607 4.607 4.580 0.027 19687 6098 1 10 . 1 1 14 14 SER CA C 14 56.398 56.398 56.952 -0.554 19687 6099 1 10 . 1 1 14 14 SER CB C 14 63.918 63.918 65.802 -1.884 19687 6100 1 10 . 1 1 14 14 SER H H 14 8.475 8.475 7.619 0.856 19687 6101 1 10 . 1 1 15 15 GLY CA C 15 47.494 47.494 46.587 0.907 19687 6102 1 10 . 1 1 16 16 THR N N 16 114.515 114.515 113.087 1.428 19687 6103 1 10 . 1 1 16 16 THR HA H 16 4.197 4.197 3.956 0.241 19687 6104 1 10 . 1 1 16 16 THR CA C 16 61.600 61.600 63.644 -2.044 19687 6105 1 10 . 1 1 16 16 THR CB C 16 68.800 68.800 67.010 1.790 19687 6106 1 10 . 1 1 16 16 THR H H 16 8.636 8.636 8.270 0.366 19687 6107 1 10 . 1 1 17 17 THR N N 17 118.332 118.332 116.939 1.393 19687 6108 1 10 . 1 1 17 17 THR HA H 17 5.004 5.004 5.250 -0.246 19687 6109 1 10 . 1 1 17 17 THR CA C 17 62.095 62.095 62.456 -0.361 19687 6110 1 10 . 1 1 17 17 THR CB C 17 70.105 70.105 71.806 -1.701 19687 6111 1 10 . 1 1 17 17 THR H H 17 8.353 8.353 7.656 0.697 19687 6112 1 10 . 1 1 18 18 VAL N N 18 127.794 127.794 128.345 -0.551 19687 6113 1 10 . 1 1 18 18 VAL HA H 18 4.580 4.580 4.834 -0.254 19687 6114 1 10 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.943 1.356 19687 6115 1 10 . 1 1 18 18 VAL CB C 18 34.365 34.365 34.831 -0.466 19687 6116 1 10 . 1 1 18 18 VAL H H 18 8.843 8.843 8.601 0.242 19687 6117 1 10 . 1 1 19 19 THR N N 19 121.651 121.651 126.252 -4.601 19687 6118 1 10 . 1 1 19 19 THR CA C 19 62.635 62.635 61.703 0.932 19687 6119 1 10 . 1 1 19 19 THR CB C 19 69.854 69.854 70.540 -0.686 19687 6120 1 10 . 1 1 19 19 THR H H 19 8.953 8.953 8.400 0.553 19687 6121 1 10 . 1 1 20 20 ILE N N 20 106.781 106.781 124.434 -17.653 19687 6122 1 10 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.584 -0.521 19687 6123 1 10 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.549 -0.234 19687 6124 1 10 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.135 0.065 19687 6125 1 10 . 1 1 20 20 ILE H H 20 9.426 9.426 8.709 0.717 19687 6126 1 10 . 1 1 21 21 THR N N 21 121.256 121.256 123.038 -1.782 19687 6127 1 10 . 1 1 21 21 THR HA H 21 5.160 5.160 4.849 0.311 19687 6128 1 10 . 1 1 21 21 THR CA C 21 62.116 62.116 62.365 -0.249 19687 6129 1 10 . 1 1 21 21 THR CB C 21 70.105 70.105 69.922 0.183 19687 6130 1 10 . 1 1 21 21 THR H H 21 9.245 9.245 8.597 0.648 19687 6131 1 10 . 1 1 22 22 CYS N N 22 123.311 123.311 125.501 -2.190 19687 6132 1 10 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.443 -1.722 19687 6133 1 10 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.317 -1.384 19687 6134 1 10 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.900 13.193 19687 6135 1 10 . 1 1 22 22 CYS H H 22 8.930 8.930 8.190 0.740 19687 6136 1 10 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.244 -0.574 19687 6137 1 10 . 1 1 23 23 PRO CA C 23 64.466 64.466 62.807 1.659 19687 6138 1 10 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.905 -0.258 19687 6139 1 10 . 1 1 24 24 SER N N 24 107.893 107.893 114.951 -7.058 19687 6140 1 10 . 1 1 24 24 SER HA H 24 4.289 4.289 3.708 0.581 19687 6141 1 10 . 1 1 24 24 SER CA C 24 58.121 58.121 60.218 -2.097 19687 6142 1 10 . 1 1 24 24 SER CB C 24 65.762 65.762 63.586 2.176 19687 6143 1 10 . 1 1 24 24 SER H H 24 6.307 6.307 7.169 -0.862 19687 6144 1 10 . 1 1 25 25 SER N N 25 113.836 113.836 113.617 0.219 19687 6145 1 10 . 1 1 25 25 SER HA H 25 4.469 4.469 4.421 0.048 19687 6146 1 10 . 1 1 25 25 SER CA C 25 57.103 57.103 58.105 -1.002 19687 6147 1 10 . 1 1 25 25 SER CB C 25 65.185 65.185 64.403 0.782 19687 6148 1 10 . 1 1 25 25 SER H H 25 8.121 8.121 8.079 0.042 19687 6149 1 10 . 1 1 26 26 GLY N N 26 107.245 107.245 109.470 -2.225 19687 6150 1 10 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.069 0.207 19687 6151 1 10 . 1 1 26 26 GLY H H 26 8.194 8.194 8.105 0.089 19687 6152 1 10 . 1 1 27 27 ASP N N 27 116.002 116.002 120.356 -4.354 19687 6153 1 10 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.652 -0.183 19687 6154 1 10 . 1 1 27 27 ASP CA C 27 55.223 55.223 55.354 -0.131 19687 6155 1 10 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.507 0.401 19687 6156 1 10 . 1 1 27 27 ASP H H 27 8.186 8.186 8.382 -0.196 19687 6157 1 10 . 1 1 28 28 ASP N N 28 117.805 117.805 120.083 -2.278 19687 6158 1 10 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.830 -0.325 19687 6159 1 10 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.820 -0.006 19687 6160 1 10 . 1 1 28 28 ASP CB C 28 40.890 40.890 41.814 -0.924 19687 6161 1 10 . 1 1 28 28 ASP H H 28 8.319 8.319 8.183 0.136 19687 6162 1 10 . 1 1 29 29 ILE N N 29 120.506 120.506 121.588 -1.082 19687 6163 1 10 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.497 -0.307 19687 6164 1 10 . 1 1 29 29 ILE CA C 29 61.156 61.156 60.096 1.060 19687 6165 1 10 . 1 1 29 29 ILE CB C 29 38.367 38.367 39.142 -0.775 19687 6166 1 10 . 1 1 29 29 ILE H H 29 7.913 7.913 8.195 -0.282 19687 6167 1 10 . 1 1 30 30 LYS N N 30 125.490 125.490 127.237 -1.747 19687 6168 1 10 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.616 0.150 19687 6169 1 10 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.595 0.158 19687 6170 1 10 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.404 2.081 19687 6171 1 10 . 1 1 30 30 LYS H H 30 8.177 8.177 8.005 0.172 19687 6172 1 10 . 1 1 31 31 TRP N N 31 121.968 121.968 125.119 -3.151 19687 6173 1 10 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.665 0.633 19687 6174 1 10 . 1 1 31 31 TRP CA C 31 57.573 57.573 57.406 0.167 19687 6175 1 10 . 1 1 31 31 TRP CB C 31 34.076 34.076 30.770 3.306 19687 6176 1 10 . 1 1 31 31 TRP H H 31 8.752 8.752 8.762 -0.010 19687 6177 1 10 . 1 1 32 32 LYS N N 32 118.343 118.343 119.055 -0.712 19687 6178 1 10 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.738 -0.515 19687 6179 1 10 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.303 -1.706 19687 6180 1 10 . 1 1 32 32 LYS CB C 32 35.485 35.485 30.796 4.689 19687 6181 1 10 . 1 1 32 32 LYS H H 32 8.876 8.876 8.553 0.323 19687 6182 1 10 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.174 0.123 19687 6183 1 10 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.249 -0.957 19687 6184 1 10 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.716 3.776 19687 6185 1 10 . 1 1 34 34 ASP N N 34 119.044 119.044 114.502 4.542 19687 6186 1 10 . 1 1 34 34 ASP HA H 34 5.342 5.342 5.009 0.333 19687 6187 1 10 . 1 1 34 34 ASP CA C 34 50.951 50.951 53.102 -2.151 19687 6188 1 10 . 1 1 34 34 ASP CB C 34 42.122 42.122 42.464 -0.342 19687 6189 1 10 . 1 1 34 34 ASP H H 34 8.039 8.039 8.124 -0.085 19687 6190 1 10 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.441 -0.107 19687 6191 1 10 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.669 0.468 19687 6192 1 10 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.109 0.783 19687 6193 1 10 . 1 1 36 36 ALA N N 36 117.764 117.764 120.140 -2.376 19687 6194 1 10 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.089 0.038 19687 6195 1 10 . 1 1 36 36 ALA CA C 36 54.475 54.475 53.955 0.520 19687 6196 1 10 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.979 -0.063 19687 6197 1 10 . 1 1 36 36 ALA H H 36 8.126 8.126 7.804 0.322 19687 6198 1 10 . 1 1 37 37 LEU N N 37 115.927 115.927 112.171 3.756 19687 6199 1 10 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.445 -0.525 19687 6200 1 10 . 1 1 37 37 LEU CA C 37 55.427 55.427 52.894 2.533 19687 6201 1 10 . 1 1 37 37 LEU CB C 37 38.577 38.577 40.804 -2.227 19687 6202 1 10 . 1 1 37 37 LEU H H 37 7.576 7.576 7.139 0.437 19687 6203 1 10 . 1 1 38 38 GLY N N 38 127.283 127.283 107.626 19.657 19687 6204 1 10 . 1 1 38 38 GLY CA C 38 45.399 45.399 43.922 1.477 19687 6205 1 10 . 1 1 38 38 GLY H H 38 7.341 7.341 7.371 -0.030 19687 6206 1 10 . 1 1 39 39 ASP N N 39 122.925 122.925 122.503 0.422 19687 6207 1 10 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.720 -0.161 19687 6208 1 10 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.135 0.599 19687 6209 1 10 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.643 -1.555 19687 6210 1 10 . 1 1 39 39 ASP H H 39 9.095 9.095 8.052 1.043 19687 6211 1 10 . 1 1 40 40 ASN N N 40 122.444 122.444 119.160 3.284 19687 6212 1 10 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.566 -0.241 19687 6213 1 10 . 1 1 40 40 ASN CA C 40 56.339 56.339 55.268 1.071 19687 6214 1 10 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.345 0.092 19687 6215 1 10 . 1 1 40 40 ASN H H 40 9.267 9.267 8.642 0.625 19687 6216 1 10 . 1 1 41 41 ASN N N 41 119.328 119.328 118.083 1.245 19687 6217 1 10 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.220 0.214 19687 6218 1 10 . 1 1 41 41 ASN CA C 41 55.053 55.053 55.036 0.017 19687 6219 1 10 . 1 1 41 41 ASN CB C 41 37.768 37.768 38.262 -0.494 19687 6220 1 10 . 1 1 41 41 ASN H H 41 8.661 8.661 9.136 -0.475 19687 6221 1 10 . 1 1 42 42 LYS N N 42 119.592 119.592 116.109 3.483 19687 6222 1 10 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.380 0.206 19687 6223 1 10 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.991 -1.007 19687 6224 1 10 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.846 -0.024 19687 6225 1 10 . 1 1 42 42 LYS H H 42 8.195 8.195 7.920 0.275 19687 6226 1 10 . 1 1 43 43 TYR N N 43 123.577 123.577 121.604 1.973 19687 6227 1 10 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.276 -0.501 19687 6228 1 10 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.318 1.055 19687 6229 1 10 . 1 1 43 43 TYR CB C 43 40.262 40.262 40.130 0.132 19687 6230 1 10 . 1 1 43 43 TYR H H 43 8.661 8.661 8.988 -0.327 19687 6231 1 10 . 1 1 44 44 ILE N N 44 124.735 124.735 127.945 -3.210 19687 6232 1 10 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.024 0.535 19687 6233 1 10 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.706 1.507 19687 6234 1 10 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.604 3.588 19687 6235 1 10 . 1 1 44 44 ILE H H 44 7.239 7.239 8.158 -0.919 19687 6236 1 10 . 1 1 45 45 ILE N N 45 126.245 126.245 129.329 -3.084 19687 6237 1 10 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.095 -0.221 19687 6238 1 10 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.902 -0.350 19687 6239 1 10 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.199 1.321 19687 6240 1 10 . 1 1 45 45 ILE H H 45 8.984 8.984 8.102 0.882 19687 6241 1 10 . 1 1 46 46 GLN N N 46 122.581 122.581 125.245 -2.664 19687 6242 1 10 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.946 -0.747 19687 6243 1 10 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.967 1.240 19687 6244 1 10 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.398 -2.262 19687 6245 1 10 . 1 1 46 46 GLN H H 46 8.356 8.356 8.489 -0.133 19687 6246 1 10 . 1 1 47 47 ASN N N 47 116.902 116.902 118.146 -1.244 19687 6247 1 10 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.298 -0.090 19687 6248 1 10 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.605 -1.185 19687 6249 1 10 . 1 1 47 47 ASN CB C 47 37.945 37.945 37.936 0.009 19687 6250 1 10 . 1 1 47 47 ASN H H 47 9.115 9.115 8.877 0.238 19687 6251 1 10 . 1 1 48 48 HIS N N 48 117.711 117.711 118.428 -0.717 19687 6252 1 10 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.486 -0.134 19687 6253 1 10 . 1 1 48 48 HIS CA C 48 57.673 57.673 56.471 1.202 19687 6254 1 10 . 1 1 48 48 HIS CB C 48 32.048 32.048 31.088 0.960 19687 6255 1 10 . 1 1 48 48 HIS H H 48 8.727 8.727 8.126 0.601 19687 6256 1 10 . 1 1 49 49 ASP N N 49 124.049 124.049 119.880 4.169 19687 6257 1 10 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.628 -0.429 19687 6258 1 10 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.424 0.386 19687 6259 1 10 . 1 1 49 49 ASP CB C 49 41.232 41.232 42.929 -1.697 19687 6260 1 10 . 1 1 49 49 ASP H H 49 7.339 7.339 7.445 -0.106 19687 6261 1 10 . 1 1 50 50 SER N N 50 100.425 100.425 116.649 -16.224 19687 6262 1 10 . 1 1 50 50 SER HA H 50 4.100 4.100 4.911 -0.811 19687 6263 1 10 . 1 1 50 50 SER CA C 50 54.542 54.542 58.788 -4.247 19687 6264 1 10 . 1 1 50 50 SER CB C 50 61.489 61.489 63.145 -1.656 19687 6265 1 10 . 1 1 50 50 SER H H 50 5.420 5.420 8.407 -2.987 19687 6266 1 10 . 1 1 51 51 SER N N 51 115.785 115.785 119.384 -3.599 19687 6267 1 10 . 1 1 51 51 SER HA H 51 4.619 4.619 4.761 -0.142 19687 6268 1 10 . 1 1 51 51 SER CA C 51 57.320 57.320 57.587 -0.267 19687 6269 1 10 . 1 1 51 51 SER CB C 51 63.171 63.171 64.125 -0.954 19687 6270 1 10 . 1 1 51 51 SER H H 51 7.543 7.543 8.118 -0.575 19687 6271 1 10 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.818 -0.375 19687 6272 1 10 . 1 1 52 52 PRO CA C 52 63.741 63.741 62.267 1.474 19687 6273 1 10 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.682 0.139 19687 6274 1 10 . 1 1 53 53 LEU N N 53 120.506 120.506 114.396 6.110 19687 6275 1 10 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.383 0.142 19687 6276 1 10 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.556 0.144 19687 6277 1 10 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.861 2.439 19687 6278 1 10 . 1 1 53 53 LEU H H 53 8.243 8.243 7.425 0.819 19687 6279 1 10 . 1 1 54 54 THR N N 54 116.375 116.375 118.623 -2.248 19687 6280 1 10 . 1 1 54 54 THR HA H 54 5.307 5.307 4.362 0.945 19687 6281 1 10 . 1 1 54 54 THR CA C 54 61.956 61.956 63.272 -1.316 19687 6282 1 10 . 1 1 54 54 THR CB C 54 70.170 70.170 69.148 1.022 19687 6283 1 10 . 1 1 54 54 THR H H 54 7.839 7.839 8.381 -0.542 19687 6284 1 10 . 1 1 55 55 VAL N N 55 123.311 123.311 128.901 -5.590 19687 6285 1 10 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.270 0.496 19687 6286 1 10 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.211 -0.534 19687 6287 1 10 . 1 1 55 55 VAL CB C 55 35.987 35.987 34.271 1.716 19687 6288 1 10 . 1 1 55 55 VAL H H 55 8.941 8.941 9.022 -0.081 19687 6289 1 10 . 1 1 56 56 SER N N 56 115.664 115.664 122.472 -6.808 19687 6290 1 10 . 1 1 56 56 SER HA H 56 5.811 5.811 5.298 0.513 19687 6291 1 10 . 1 1 56 56 SER CA C 56 56.606 56.606 57.212 -0.605 19687 6292 1 10 . 1 1 56 56 SER CB C 56 67.712 67.712 64.951 2.761 19687 6293 1 10 . 1 1 56 56 SER H H 56 8.748 8.748 8.454 0.294 19687 6294 1 10 . 1 1 57 57 CYS N N 57 113.093 113.093 117.395 -4.302 19687 6295 1 10 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.314 0.642 19687 6296 1 10 . 1 1 57 57 CYS CA C 57 53.136 53.136 58.904 -5.768 19687 6297 1 10 . 1 1 57 57 CYS CB C 57 48.859 48.859 30.890 17.970 19687 6298 1 10 . 1 1 57 57 CYS H H 57 8.766 8.766 8.389 0.377 19687 6299 1 10 . 1 1 58 58 THR N N 58 115.221 115.221 123.319 -8.098 19687 6300 1 10 . 1 1 58 58 THR HA H 58 4.829 4.829 4.997 -0.168 19687 6301 1 10 . 1 1 58 58 THR CA C 58 61.394 61.394 61.871 -0.477 19687 6302 1 10 . 1 1 58 58 THR CB C 58 70.872 70.872 70.331 0.541 19687 6303 1 10 . 1 1 58 58 THR H H 58 8.440 8.440 8.108 0.332 19687 6304 1 10 . 1 1 59 59 ALA N N 59 128.540 128.540 129.557 -1.017 19687 6305 1 10 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.951 -0.509 19687 6306 1 10 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.128 0.533 19687 6307 1 10 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.863 1.367 19687 6308 1 10 . 1 1 59 59 ALA H H 59 8.489 8.489 7.857 0.632 19687 6309 1 10 . 1 1 60 60 GLY N N 60 114.199 114.199 114.493 -0.294 19687 6310 1 10 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.010 0.658 19687 6311 1 10 . 1 1 60 60 GLY H H 60 9.072 9.072 8.688 0.384 19687 6312 1 10 . 1 1 61 61 ASP N N 61 122.847 122.847 124.986 -2.139 19687 6313 1 10 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.860 -0.508 19687 6314 1 10 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.356 1.248 19687 6315 1 10 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.410 -0.132 19687 6316 1 10 . 1 1 61 61 ASP H H 61 8.553 8.553 8.418 0.135 19687 6317 1 10 . 1 1 62 62 GLN N N 62 117.800 117.800 118.481 -0.681 19687 6318 1 10 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.606 -0.416 19687 6319 1 10 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.586 0.771 19687 6320 1 10 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.210 -0.934 19687 6321 1 10 . 1 1 62 62 GLN H H 62 7.703 7.703 7.587 0.116 19687 6322 1 10 . 1 1 63 63 GLU N N 63 123.165 123.165 121.339 1.826 19687 6323 1 10 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.275 -0.635 19687 6324 1 10 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.427 0.038 19687 6325 1 10 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.836 0.767 19687 6326 1 10 . 1 1 63 63 GLU H H 63 8.143 8.143 8.705 -0.562 19687 6327 1 10 . 1 1 64 64 HIS N N 64 125.182 125.182 124.322 0.860 19687 6328 1 10 . 1 1 64 64 HIS HA H 64 4.764 4.764 4.952 -0.188 19687 6329 1 10 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.012 0.265 19687 6330 1 10 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.852 -0.752 19687 6331 1 10 . 1 1 64 64 HIS H H 64 8.925 8.925 8.758 0.167 19687 6332 1 10 . 1 1 65 65 THR N N 65 120.044 120.044 113.108 6.936 19687 6333 1 10 . 1 1 65 65 THR HA H 65 4.996 4.996 5.533 -0.537 19687 6334 1 10 . 1 1 65 65 THR CA C 65 63.303 63.303 60.554 2.749 19687 6335 1 10 . 1 1 65 65 THR CB C 65 71.145 71.145 71.911 -0.766 19687 6336 1 10 . 1 1 65 65 THR H H 65 9.376 9.376 9.260 0.116 19687 6337 1 10 . 1 1 66 66 MET N N 66 126.414 126.414 120.650 5.764 19687 6338 1 10 . 1 1 66 66 MET HA H 66 5.512 5.512 5.026 0.486 19687 6339 1 10 . 1 1 66 66 MET CA C 66 52.610 52.610 55.245 -2.635 19687 6340 1 10 . 1 1 66 66 MET CB C 66 36.065 36.065 37.505 -1.440 19687 6341 1 10 . 1 1 66 66 MET H H 66 9.422 9.422 9.174 0.248 19687 6342 1 10 . 1 1 67 67 TYR N N 67 124.879 124.879 124.146 0.733 19687 6343 1 10 . 1 1 67 67 TYR HA H 67 4.807 4.807 5.135 -0.328 19687 6344 1 10 . 1 1 67 67 TYR CA C 67 57.601 57.601 57.495 0.107 19687 6345 1 10 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.282 1.418 19687 6346 1 10 . 1 1 67 67 TYR H H 67 9.023 9.023 8.175 0.848 19687 6347 1 10 . 1 1 68 68 LEU N N 68 127.991 127.991 129.069 -1.078 19687 6348 1 10 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.608 0.175 19687 6349 1 10 . 1 1 68 68 LEU CA C 68 52.795 52.795 54.227 -1.432 19687 6350 1 10 . 1 1 68 68 LEU CB C 68 44.966 44.966 42.537 2.429 19687 6351 1 10 . 1 1 68 68 LEU H H 68 8.714 8.714 8.780 -0.066 19687 6352 1 10 . 1 1 69 69 ASN N N 69 125.992 125.992 123.672 2.320 19687 6353 1 10 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.509 -1.051 19687 6354 1 10 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.931 -0.624 19687 6355 1 10 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.202 -2.306 19687 6356 1 10 . 1 1 69 69 ASN H H 69 8.369 8.369 8.298 0.071 19687 6357 1 10 . 1 1 70 70 ALA N N 70 122.336 122.336 125.028 -2.692 19687 6358 1 10 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.741 -0.029 19687 6359 1 10 . 1 1 70 70 ALA CA C 70 50.121 50.121 52.032 -1.911 19687 6360 1 10 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.038 -0.872 19687 6361 1 10 . 1 1 70 70 ALA H H 70 8.581 8.581 8.141 0.440 19687 6362 1 10 . 1 1 71 71 LYS N N 71 120.661 120.661 120.118 0.543 19687 6363 1 10 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.742 -0.435 19687 6364 1 10 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.022 -0.066 19687 6365 1 10 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.240 -1.373 19687 6366 1 10 . 1 1 71 71 LYS H H 71 8.558 8.558 8.585 -0.027 19687 6367 1 10 . 1 1 72 72 VAL N N 72 114.526 114.526 118.784 -4.258 19687 6368 1 10 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.333 0.046 19687 6369 1 10 . 1 1 72 72 VAL CA C 72 59.763 59.763 60.559 -0.796 19687 6370 1 10 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.028 2.197 19687 6371 1 10 . 1 1 72 72 VAL H H 72 8.384 8.384 8.224 0.160 19687 6372 1 10 . 1 1 73 73 GLY N N 73 107.198 107.198 115.801 -8.603 19687 6373 1 10 . 1 1 73 73 GLY CA C 73 45.354 45.354 44.908 0.445 19687 6374 1 10 . 1 1 73 73 GLY H H 73 8.036 8.036 8.112 -0.076 19687 6375 1 10 . 1 1 74 74 SER N N 74 113.743 113.743 119.671 -5.928 19687 6376 1 10 . 1 1 74 74 SER CA C 74 58.043 58.043 57.644 0.399 19687 6377 1 10 . 1 1 74 74 SER CB C 74 64.622 64.622 62.405 2.217 19687 6378 1 10 . 1 1 74 74 SER H H 74 8.292 8.292 8.436 -0.144 19687 6379 1 10 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.478 -0.333 19687 6380 1 10 . 1 1 75 75 ALA CA C 75 53.630 53.630 53.514 0.116 19687 6381 1 10 . 1 1 75 75 ALA CB C 75 19.565 19.565 19.244 0.321 19687 6382 1 10 . 1 1 76 76 ASP N N 76 117.216 117.216 120.270 -3.054 19687 6383 1 10 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.674 -0.274 19687 6384 1 10 . 1 1 76 76 ASP CA C 76 55.110 55.110 55.861 -0.751 19687 6385 1 10 . 1 1 76 76 ASP CB C 76 41.466 41.466 41.384 0.082 19687 6386 1 10 . 1 1 76 76 ASP H H 76 8.189 8.189 8.587 -0.398 19687 6387 1 10 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.538 -0.437 19687 6388 1 10 . 1 1 77 77 ASP CA C 77 53.040 53.040 55.378 -2.338 19687 6389 1 10 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.487 -0.414 19687 6390 1 10 . 1 1 82 82 ALA CA C 82 53.462 53.462 51.587 1.875 19687 6391 1 10 . 1 1 82 82 ALA CB C 82 19.492 19.492 20.314 -0.822 19687 6392 1 10 . 1 1 83 83 ALA N N 83 120.555 120.555 123.334 -2.779 19687 6393 1 10 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.182 0.740 19687 6394 1 10 . 1 1 83 83 ALA CA C 83 53.158 53.158 52.691 0.467 19687 6395 1 10 . 1 1 83 83 ALA H H 83 8.048 8.048 8.230 -0.182 19687 6396 1 10 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.707 -0.606 19687 6397 1 10 . 1 1 96 96 ASP CA C 96 56.270 56.270 54.347 1.923 19687 6398 1 10 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.697 0.672 19687 6399 1 10 . 1 1 97 97 GLY N N 97 106.760 106.760 109.057 -2.297 19687 6400 1 10 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.834 1.099 19687 6401 1 10 . 1 1 97 97 GLY H H 97 8.313 8.313 7.907 0.406 19687 6402 1 10 . 1 1 98 98 SER N N 98 114.252 114.252 114.164 0.088 19687 6403 1 10 . 1 1 98 98 SER HA H 98 4.281 4.281 4.295 -0.014 19687 6404 1 10 . 1 1 98 98 SER CA C 98 59.061 59.061 58.742 0.319 19687 6405 1 10 . 1 1 98 98 SER CB C 98 64.152 64.152 63.689 0.463 19687 6406 1 10 . 1 1 98 98 SER H H 98 8.179 8.179 8.328 -0.149 19687 6407 1 10 . 1 1 99 99 VAL N N 99 119.765 119.765 125.449 -5.684 19687 6408 1 10 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.225 -0.232 19687 6409 1 10 . 1 1 99 99 VAL CA C 99 62.728 62.728 61.788 0.940 19687 6410 1 10 . 1 1 99 99 VAL CB C 99 32.891 32.891 31.385 1.506 19687 6411 1 10 . 1 1 99 99 VAL H H 99 7.978 7.978 8.272 -0.294 19687 6412 1 10 . 1 1 100 100 ALA N N 100 126.348 126.348 125.091 1.257 19687 6413 1 10 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.180 -0.061 19687 6414 1 10 . 1 1 100 100 ALA CA C 100 52.933 52.933 52.934 -0.001 19687 6415 1 10 . 1 1 100 100 ALA CB C 100 20.172 20.172 17.733 2.438 19687 6416 1 10 . 1 1 100 100 ALA H H 100 8.244 8.244 8.130 0.114 19687 6417 1 10 . 1 1 101 101 LYS N N 101 118.495 118.495 121.244 -2.749 19687 6418 1 10 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.418 -0.191 19687 6419 1 10 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.073 0.206 19687 6420 1 10 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.727 1.190 19687 6421 1 10 . 1 1 101 101 LYS H H 101 8.105 8.105 8.216 -0.111 19687 6422 1 10 . 1 1 102 102 LEU N N 102 123.225 123.225 122.342 0.883 19687 6423 1 10 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.442 -0.202 19687 6424 1 10 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.364 0.836 19687 6425 1 10 . 1 1 102 102 LEU CB C 102 43.033 43.033 42.035 0.998 19687 6426 1 10 . 1 1 102 102 LEU H H 102 8.308 8.308 7.924 0.384 19687 6427 1 10 . 1 1 103 103 GLY N N 103 108.552 108.552 111.135 -2.583 19687 6428 1 10 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.458 -0.171 19687 6429 1 10 . 1 1 103 103 GLY H H 103 8.286 8.286 8.018 0.268 19687 6430 1 10 . 1 1 104 104 VAL N N 104 118.898 118.898 117.619 1.279 19687 6431 1 10 . 1 1 104 104 VAL HA H 104 4.386 4.386 3.923 0.463 19687 6432 1 10 . 1 1 104 104 VAL CA C 104 62.978 62.978 64.515 -1.537 19687 6433 1 10 . 1 1 104 104 VAL CB C 104 32.901 32.901 31.982 0.919 19687 6434 1 10 . 1 1 104 104 VAL H H 104 7.845 7.845 8.118 -0.273 19687 6435 1 10 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.759 -0.062 19687 6436 1 10 . 1 1 105 105 HIS CA C 105 55.848 55.848 55.318 0.530 19687 6437 1 10 . 1 1 105 105 HIS CB C 105 32.961 32.961 29.628 3.333 19687 6438 1 10 . 1 1 106 106 GLY N N 106 108.707 108.707 107.856 0.851 19687 6439 1 10 . 1 1 106 106 GLY CA C 106 45.687 45.687 44.895 0.792 19687 6440 1 10 . 1 1 106 106 GLY H H 106 8.318 8.318 7.446 0.872 19687 6441 1 10 . 1 1 107 107 LEU N N 107 121.670 121.670 122.668 -0.998 19687 6442 1 10 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.456 -0.054 19687 6443 1 10 . 1 1 107 107 LEU CA C 107 55.497 55.497 55.492 0.005 19687 6444 1 10 . 1 1 107 107 LEU CB C 107 43.632 43.632 41.913 1.720 19687 6445 1 10 . 1 1 107 107 LEU H H 107 8.191 8.191 8.501 -0.310 19687 6446 1 10 . 1 1 108 108 SER N N 108 118.838 118.838 120.565 -1.727 19687 6447 1 10 . 1 1 108 108 SER HA H 108 4.704 4.704 4.657 0.047 19687 6448 1 10 . 1 1 108 108 SER CA C 108 57.430 57.430 57.608 -0.178 19687 6449 1 10 . 1 1 108 108 SER CB C 108 65.954 65.954 64.628 1.326 19687 6450 1 10 . 1 1 108 108 SER H H 108 8.523 8.523 8.464 0.059 19687 6451 1 10 . 1 1 109 109 MET N N 109 123.671 123.671 124.312 -0.641 19687 6452 1 10 . 1 1 109 109 MET HA H 109 5.118 5.118 4.871 0.247 19687 6453 1 10 . 1 1 109 109 MET CA C 109 55.146 55.146 55.299 -0.153 19687 6454 1 10 . 1 1 109 109 MET CB C 109 35.799 35.799 34.970 0.829 19687 6455 1 10 . 1 1 109 109 MET H H 109 8.351 8.351 8.402 -0.051 19687 6456 1 10 . 1 1 110 110 SER N N 110 118.211 118.211 115.281 2.930 19687 6457 1 10 . 1 1 110 110 SER HA H 110 4.668 4.668 5.107 -0.439 19687 6458 1 10 . 1 1 110 110 SER CA C 110 57.103 57.103 57.144 -0.041 19687 6459 1 10 . 1 1 110 110 SER CB C 110 66.659 66.659 67.231 -0.572 19687 6460 1 10 . 1 1 110 110 SER H H 110 9.061 9.061 8.390 0.671 19687 6461 1 10 . 1 1 111 111 VAL N N 111 119.042 119.042 118.343 0.699 19687 6462 1 10 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.907 -0.617 19687 6463 1 10 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.363 1.803 19687 6464 1 10 . 1 1 111 111 VAL CB C 111 33.733 33.733 33.558 0.175 19687 6465 1 10 . 1 1 111 111 VAL H H 111 7.923 7.923 8.308 -0.385 19687 6466 1 10 . 1 1 112 112 LYS N N 112 126.477 126.477 124.223 2.254 19687 6467 1 10 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.588 -0.082 19687 6468 1 10 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.473 0.359 19687 6469 1 10 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.136 0.819 19687 6470 1 10 . 1 1 112 112 LYS H H 112 9.181 9.181 9.023 0.158 19687 6471 1 10 . 1 1 113 113 GLU N N 113 121.962 121.962 123.327 -1.365 19687 6472 1 10 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.992 0.244 19687 6473 1 10 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.438 -0.643 19687 6474 1 10 . 1 1 113 113 GLU CB C 113 30.714 30.714 30.928 -0.214 19687 6475 1 10 . 1 1 113 113 GLU H H 113 8.410 8.410 8.673 -0.263 19687 6476 1 10 . 1 1 114 114 VAL N N 114 122.453 122.453 123.742 -1.289 19687 6477 1 10 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.557 -0.397 19687 6478 1 10 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.798 1.848 19687 6479 1 10 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.349 1.216 19687 6480 1 10 . 1 1 114 114 VAL H H 114 8.744 8.744 8.254 0.490 19687 6481 1 10 . 1 1 115 115 SER HA H 115 3.884 3.884 4.190 -0.306 19687 6482 1 10 . 1 1 115 115 SER CA C 115 58.726 58.726 60.008 -1.282 19687 6483 1 10 . 1 1 115 115 SER CB C 115 62.588 62.588 62.667 -0.079 19687 6484 1 10 . 1 1 116 116 GLY N N 116 126.353 126.353 112.518 13.835 19687 6485 1 10 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.965 -0.199 19687 6486 1 10 . 1 1 116 116 GLY H H 116 8.744 8.744 8.164 0.580 19687 6487 1 10 . 1 1 117 117 LYS N N 117 120.735 120.735 119.193 1.542 19687 6488 1 10 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.713 -0.113 19687 6489 1 10 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.818 0.455 19687 6490 1 10 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.818 -0.485 19687 6491 1 10 . 1 1 117 117 LYS H H 117 7.934 7.934 8.169 -0.235 19687 6492 1 10 . 1 1 118 118 VAL N N 118 117.642 117.642 116.509 1.133 19687 6493 1 10 . 1 1 118 118 VAL HA H 118 4.157 4.157 5.015 -0.858 19687 6494 1 10 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.779 0.966 19687 6495 1 10 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.475 0.152 19687 6496 1 10 . 1 1 118 118 VAL H H 118 7.619 7.619 7.731 -0.112 19687 6497 1 10 . 1 1 119 119 PHE N N 119 121.052 121.052 125.144 -4.092 19687 6498 1 10 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.489 -0.276 19687 6499 1 10 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.448 0.020 19687 6500 1 10 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.893 1.094 19687 6501 1 10 . 1 1 119 119 PHE H H 119 8.860 8.860 8.467 0.393 19687 6502 1 10 . 1 1 120 120 LEU N N 120 117.758 117.758 117.821 -0.063 19687 6503 1 10 . 1 1 120 120 LEU HA H 120 5.102 5.102 5.199 -0.097 19687 6504 1 10 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.095 -1.102 19687 6505 1 10 . 1 1 120 120 LEU CB C 120 44.439 44.439 47.041 -2.602 19687 6506 1 10 . 1 1 120 120 LEU H H 120 8.576 8.576 8.823 -0.247 19687 6507 1 10 . 1 1 121 121 GLN N N 121 116.064 116.064 117.634 -1.570 19687 6508 1 10 . 1 1 121 121 GLN HA H 121 4.289 4.289 5.023 -0.734 19687 6509 1 10 . 1 1 121 121 GLN CA C 121 54.980 54.980 55.386 -0.406 19687 6510 1 10 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.752 0.290 19687 6511 1 10 . 1 1 121 121 GLN H H 121 8.481 8.481 8.244 0.237 19687 6512 1 10 . 1 1 122 122 CYS N N 122 120.052 120.052 117.431 2.621 19687 6513 1 10 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.898 0.342 19687 6514 1 10 . 1 1 122 122 CYS CA C 122 54.865 54.865 56.869 -2.004 19687 6515 1 10 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.384 13.116 19687 6516 1 10 . 1 1 122 122 CYS H H 122 9.203 9.203 8.110 1.093 19687 6517 1 10 . 1 1 123 123 GLN N N 123 115.174 115.174 121.709 -6.535 19687 6518 1 10 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.499 -0.078 19687 6519 1 10 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.257 0.425 19687 6520 1 10 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.910 2.703 19687 6521 1 10 . 1 1 123 123 GLN H H 123 8.106 8.106 8.475 -0.369 19687 6522 1 10 . 1 1 124 124 GLU N N 124 120.534 120.534 125.176 -4.642 19687 6523 1 10 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.291 -0.143 19687 6524 1 10 . 1 1 124 124 GLU CA C 124 55.960 55.960 56.595 -0.635 19687 6525 1 10 . 1 1 124 124 GLU CB C 124 32.752 32.752 30.931 1.821 19687 6526 1 10 . 1 1 124 124 GLU H H 124 8.578 8.578 8.687 -0.109 19687 6527 1 10 . 1 1 132 132 TYR N N 132 122.981 122.981 116.800 6.181 19687 6528 1 10 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.291 0.101 19687 6529 1 10 . 1 1 132 132 TYR CA C 132 55.015 55.015 58.668 -3.653 19687 6530 1 10 . 1 1 132 132 TYR H H 132 8.286 8.286 8.496 -0.210 19687 6531 1 10 . 1 1 133 133 LEU N N 133 122.894 122.894 122.930 -0.036 19687 6532 1 10 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.590 0.017 19687 6533 1 10 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.251 0.904 19687 6534 1 10 . 1 1 133 133 LEU CB C 133 43.071 43.071 41.426 1.645 19687 6535 1 10 . 1 1 133 133 LEU H H 133 8.102 8.102 8.699 -0.597 19687 6536 1 10 . 1 1 134 134 TRP N N 134 125.713 125.713 128.202 -2.489 19687 6537 1 10 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.387 0.131 19687 6538 1 10 . 1 1 134 134 TRP CA C 134 56.406 56.406 55.499 0.907 19687 6539 1 10 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.593 -0.264 19687 6540 1 10 . 1 1 134 134 TRP H H 134 8.763 8.763 8.650 0.113 19687 6541 1 10 . 1 1 135 135 LYS N N 135 118.492 118.492 128.880 -10.388 19687 6542 1 10 . 1 1 135 135 LYS HA H 135 5.229 5.229 5.065 0.164 19687 6543 1 10 . 1 1 135 135 LYS CA C 135 55.041 55.041 54.038 1.002 19687 6544 1 10 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.207 1.809 19687 6545 1 10 . 1 1 135 135 LYS H H 135 9.321 9.321 8.857 0.464 19687 6546 1 10 . 1 1 136 136 LYS N N 136 121.232 121.232 126.865 -5.633 19687 6547 1 10 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.706 -0.015 19687 6548 1 10 . 1 1 136 136 LYS CA C 136 55.145 55.145 56.003 -0.858 19687 6549 1 10 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.229 0.786 19687 6550 1 10 . 1 1 136 136 LYS H H 136 8.509 8.509 7.960 0.549 19687 6551 1 10 . 1 1 137 137 GLY N N 137 116.933 116.933 111.016 5.917 19687 6552 1 10 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.224 0.245 19687 6553 1 10 . 1 1 137 137 GLY H H 137 8.641 8.641 8.540 0.101 19687 6554 1 10 . 1 1 138 138 LYS N N 138 124.712 124.712 118.644 6.068 19687 6555 1 10 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.429 -0.003 19687 6556 1 10 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.035 1.139 19687 6557 1 10 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.505 -0.418 19687 6558 1 10 . 1 1 138 138 LYS H H 138 8.963 8.963 8.182 0.781 19687 6559 1 10 . 1 1 139 139 GLU N N 139 120.229 120.229 118.489 1.740 19687 6560 1 10 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.433 -0.260 19687 6561 1 10 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.682 1.582 19687 6562 1 10 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.252 -0.045 19687 6563 1 10 . 1 1 139 139 GLU H H 139 8.011 8.011 7.655 0.356 19687 6564 1 10 . 1 1 140 140 GLU N N 140 123.311 123.311 124.831 -1.520 19687 6565 1 10 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.978 0.240 19687 6566 1 10 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.855 -0.169 19687 6567 1 10 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.095 0.409 19687 6568 1 10 . 1 1 140 140 GLU H H 140 8.811 8.811 8.652 0.159 19687 6569 1 10 . 1 1 141 141 LEU N N 141 121.782 121.782 117.850 3.932 19687 6570 1 10 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.820 -0.368 19687 6571 1 10 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.432 1.784 19687 6572 1 10 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.293 -0.082 19687 6573 1 10 . 1 1 141 141 LEU H H 141 9.291 9.291 7.934 1.357 19687 6574 1 10 . 1 1 142 142 GLY N N 142 125.924 125.924 106.064 19.860 19687 6575 1 10 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.791 -0.220 19687 6576 1 10 . 1 1 142 142 GLY H H 142 7.060 7.060 8.388 -1.328 19687 6577 1 10 . 1 1 143 143 ASN N N 143 117.181 117.181 119.911 -2.730 19687 6578 1 10 . 1 1 143 143 ASN HA H 143 5.902 5.902 5.114 0.788 19687 6579 1 10 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.363 -1.455 19687 6580 1 10 . 1 1 143 143 ASN CB C 143 40.333 40.333 39.023 1.310 19687 6581 1 10 . 1 1 143 143 ASN H H 143 8.472 8.472 8.366 0.106 19687 6582 1 10 . 1 1 144 144 MET N N 144 117.970 117.970 121.013 -3.043 19687 6583 1 10 . 1 1 144 144 MET HA H 144 4.747 4.747 4.759 -0.012 19687 6584 1 10 . 1 1 144 144 MET CA C 144 56.085 56.085 54.082 2.003 19687 6585 1 10 . 1 1 144 144 MET CB C 144 36.425 36.425 36.496 -0.071 19687 6586 1 10 . 1 1 144 144 MET H H 144 9.270 9.270 8.476 0.794 19687 6587 1 10 . 1 1 145 145 ARG N N 145 125.032 125.032 119.067 5.965 19687 6588 1 10 . 1 1 145 145 ARG HA H 145 4.275 4.275 3.879 0.396 19687 6589 1 10 . 1 1 145 145 ARG CA C 145 58.881 58.881 57.431 1.450 19687 6590 1 10 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.336 0.971 19687 6591 1 10 . 1 1 145 145 ARG H H 145 9.085 9.085 8.472 0.613 19687 6592 1 10 . 1 1 146 146 GLN N N 146 112.668 112.668 117.601 -4.933 19687 6593 1 10 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.038 0.866 19687 6594 1 10 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.055 0.300 19687 6595 1 10 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.946 -0.013 19687 6596 1 10 . 1 1 146 146 GLN H H 146 7.599 7.599 7.466 0.133 19687 6597 1 10 . 1 1 147 147 LEU N N 147 122.152 122.152 125.716 -3.564 19687 6598 1 10 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.115 -0.092 19687 6599 1 10 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.328 -2.107 19687 6600 1 10 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.387 1.315 19687 6601 1 10 . 1 1 147 147 LEU H H 147 8.130 8.130 8.209 -0.079 19687 6602 1 10 . 1 1 148 148 ASP N N 148 124.520 124.520 126.715 -2.195 19687 6603 1 10 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.466 -0.545 19687 6604 1 10 . 1 1 148 148 ASP CA C 148 53.321 53.321 52.953 0.368 19687 6605 1 10 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.145 0.311 19687 6606 1 10 . 1 1 148 148 ASP H H 148 8.008 8.008 8.135 -0.127 19687 6607 1 10 . 1 1 149 149 LEU N N 149 124.941 124.941 122.432 2.509 19687 6608 1 10 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.579 -0.666 19687 6609 1 10 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.011 1.177 19687 6610 1 10 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.561 1.737 19687 6611 1 10 . 1 1 149 149 LEU H H 149 8.790 8.790 8.005 0.785 19687 6612 1 10 . 1 1 150 150 GLY N N 150 108.901 108.901 105.769 3.132 19687 6613 1 10 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.603 -1.073 19687 6614 1 10 . 1 1 150 150 GLY H H 150 8.744 8.744 7.013 1.731 19687 6615 1 10 . 1 1 151 151 ALA N N 151 118.338 118.338 120.170 -1.832 19687 6616 1 10 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.652 -0.418 19687 6617 1 10 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.300 3.070 19687 6618 1 10 . 1 1 151 151 ALA CB C 151 19.150 19.150 22.034 -2.884 19687 6619 1 10 . 1 1 151 151 ALA H H 151 8.167 8.167 7.970 0.197 19687 6620 1 10 . 1 1 152 152 ILE N N 152 121.825 121.825 121.115 0.710 19687 6621 1 10 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.941 -1.031 19687 6622 1 10 . 1 1 152 152 ILE CA C 152 65.565 65.565 65.037 0.528 19687 6623 1 10 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.747 0.841 19687 6624 1 10 . 1 1 152 152 ILE H H 152 8.269 8.269 8.063 0.206 19687 6625 1 10 . 1 1 153 153 TYR N N 153 109.544 109.544 117.922 -8.378 19687 6626 1 10 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.518 -0.399 19687 6627 1 10 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.487 1.111 19687 6628 1 10 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.276 -0.918 19687 6629 1 10 . 1 1 153 153 TYR H H 153 6.757 6.757 7.749 -0.992 19687 6630 1 10 . 1 1 154 154 ASP N N 154 117.255 117.255 121.602 -4.347 19687 6631 1 10 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.633 0.071 19687 6632 1 10 . 1 1 154 154 ASP CA C 154 54.897 54.897 52.386 2.510 19687 6633 1 10 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.661 1.072 19687 6634 1 10 . 1 1 154 154 ASP H H 154 7.092 7.092 7.338 -0.246 19687 6635 1 10 . 1 1 155 155 ASP N N 155 115.759 115.759 121.110 -5.351 19687 6636 1 10 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.779 -0.546 19687 6637 1 10 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.749 1.751 19687 6638 1 10 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.175 -0.708 19687 6639 1 10 . 1 1 155 155 ASP H H 155 7.855 7.855 7.631 0.224 19687 6640 1 10 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.385 -0.234 19687 6641 1 10 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.391 1.094 19687 6642 1 10 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.571 -0.879 19687 6643 1 10 . 1 1 157 157 ARG N N 157 115.980 115.980 120.394 -4.414 19687 6644 1 10 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.577 0.564 19687 6645 1 10 . 1 1 157 157 ARG CA C 157 54.793 54.793 55.486 -0.693 19687 6646 1 10 . 1 1 157 157 ARG CB C 157 34.607 34.607 30.749 3.858 19687 6647 1 10 . 1 1 157 157 ARG H H 157 7.888 7.888 8.773 -0.885 19687 6648 1 10 . 1 1 158 158 GLY N N 158 106.901 106.901 105.681 1.220 19687 6649 1 10 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.364 1.247 19687 6650 1 10 . 1 1 158 158 GLY H H 158 8.344 8.344 7.697 0.647 19687 6651 1 10 . 1 1 159 159 THR N N 159 116.699 116.699 115.278 1.421 19687 6652 1 10 . 1 1 159 159 THR CA C 159 63.319 63.319 61.947 1.372 19687 6653 1 10 . 1 1 159 159 THR CB C 159 69.870 69.870 70.001 -0.131 19687 6654 1 10 . 1 1 159 159 THR H H 159 8.228 8.228 8.203 0.025 19687 6655 1 10 . 1 1 160 160 TYR N N 160 123.979 123.979 122.762 1.217 19687 6656 1 10 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.389 -0.035 19687 6657 1 10 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.090 2.539 19687 6658 1 10 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.349 2.505 19687 6659 1 10 . 1 1 160 160 TYR H H 160 8.782 8.782 8.037 0.745 19687 6660 1 10 . 1 1 161 161 THR N N 161 115.752 115.752 115.876 -0.124 19687 6661 1 10 . 1 1 161 161 THR HA H 161 5.509 5.509 5.214 0.295 19687 6662 1 10 . 1 1 161 161 THR CA C 161 61.354 61.354 61.850 -0.496 19687 6663 1 10 . 1 1 161 161 THR CB C 161 73.921 73.921 71.141 2.780 19687 6664 1 10 . 1 1 161 161 THR H H 161 9.096 9.096 8.989 0.107 19687 6665 1 10 . 1 1 162 162 CYS N N 162 119.476 119.476 125.649 -6.173 19687 6666 1 10 . 1 1 162 162 CYS HA H 162 4.533 4.533 5.619 -1.086 19687 6667 1 10 . 1 1 162 162 CYS CA C 162 52.737 52.737 56.908 -4.171 19687 6668 1 10 . 1 1 162 162 CYS CB C 162 43.843 43.843 30.745 13.098 19687 6669 1 10 . 1 1 162 162 CYS H H 162 8.580 8.580 9.171 -0.591 19687 6670 1 10 . 1 1 163 163 GLN N N 163 120.977 120.977 123.383 -2.406 19687 6671 1 10 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.505 0.443 19687 6672 1 10 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.230 -0.014 19687 6673 1 10 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.741 0.501 19687 6674 1 10 . 1 1 163 163 GLN H H 163 9.218 9.218 8.288 0.930 19687 6675 1 10 . 1 1 164 164 ARG N N 164 123.963 123.963 120.319 3.644 19687 6676 1 10 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.317 -0.099 19687 6677 1 10 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.779 -0.676 19687 6678 1 10 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.980 1.757 19687 6679 1 10 . 1 1 164 164 ARG H H 164 8.546 8.546 8.408 0.138 19687 6680 1 10 . 1 1 165 165 ASP N N 165 115.195 115.195 113.704 1.491 19687 6681 1 10 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.775 -0.106 19687 6682 1 10 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.169 1.763 19687 6683 1 10 . 1 1 165 165 ASP CB C 165 41.643 41.643 42.929 -1.286 19687 6684 1 10 . 1 1 165 165 ASP H H 165 8.040 8.040 7.573 0.467 19687 6685 1 10 . 1 1 166 166 GLU N N 166 113.922 113.922 119.228 -5.306 19687 6686 1 10 . 1 1 166 166 GLU HA H 166 3.749 3.749 3.936 -0.187 19687 6687 1 10 . 1 1 166 166 GLU CA C 166 59.194 59.194 59.644 -0.450 19687 6688 1 10 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.661 -0.175 19687 6689 1 10 . 1 1 166 166 GLU H H 166 8.745 8.745 8.730 0.015 19687 6690 1 10 . 1 1 167 167 ASN N N 167 113.556 113.556 117.819 -4.263 19687 6691 1 10 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.633 -0.033 19687 6692 1 10 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.994 1.289 19687 6693 1 10 . 1 1 167 167 ASN CB C 167 40.577 40.577 36.593 3.984 19687 6694 1 10 . 1 1 167 167 ASN H H 167 8.540 8.540 8.462 0.078 19687 6695 1 10 . 1 1 168 168 VAL N N 168 120.903 120.903 114.489 6.414 19687 6696 1 10 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.791 0.151 19687 6697 1 10 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.670 -0.499 19687 6698 1 10 . 1 1 168 168 VAL CB C 168 32.901 32.901 32.000 0.901 19687 6699 1 10 . 1 1 168 168 VAL H H 168 7.818 7.818 7.653 0.165 19687 6700 1 10 . 1 1 169 169 ASN N N 169 120.789 120.789 122.139 -1.350 19687 6701 1 10 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.644 0.319 19687 6702 1 10 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.279 -0.551 19687 6703 1 10 . 1 1 169 169 ASN CB C 169 42.240 42.240 39.978 2.262 19687 6704 1 10 . 1 1 169 169 ASN H H 169 8.104 8.104 8.993 -0.889 19687 6705 1 10 . 1 1 170 170 SER N N 170 111.999 111.999 117.891 -5.892 19687 6706 1 10 . 1 1 170 170 SER HA H 170 4.505 4.505 4.591 -0.086 19687 6707 1 10 . 1 1 170 170 SER CA C 170 59.066 59.066 58.764 0.302 19687 6708 1 10 . 1 1 170 170 SER CB C 170 65.677 65.677 62.979 2.698 19687 6709 1 10 . 1 1 170 170 SER H H 170 8.104 8.104 7.925 0.179 19687 6710 1 10 . 1 1 171 171 THR N N 171 121.052 121.052 122.929 -1.877 19687 6711 1 10 . 1 1 171 171 THR HA H 171 5.430 5.430 4.480 0.950 19687 6712 1 10 . 1 1 171 171 THR CA C 171 62.194 62.194 62.495 -0.301 19687 6713 1 10 . 1 1 171 171 THR CB C 171 72.220 72.220 68.579 3.641 19687 6714 1 10 . 1 1 171 171 THR H H 171 8.397 8.397 8.222 0.175 19687 6715 1 10 . 1 1 172 172 LEU N N 172 130.063 130.063 129.190 0.873 19687 6716 1 10 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.848 -0.130 19687 6717 1 10 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.372 1.460 19687 6718 1 10 . 1 1 172 172 LEU CB C 172 48.599 48.599 44.154 4.444 19687 6719 1 10 . 1 1 172 172 LEU H H 172 9.515 9.515 9.075 0.440 19687 6720 1 10 . 1 1 173 173 HIS CB C 173 27.207 27.207 33.047 -5.840 19687 6721 1 10 . 1 1 176 176 TYR N N 176 130.457 130.457 117.289 13.168 19687 6722 1 10 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.058 -0.172 19687 6723 1 10 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.554 2.074 19687 6724 1 10 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.859 -0.658 19687 6725 1 10 . 1 1 176 176 TYR H H 176 7.851 7.851 7.812 0.039 19687 6726 1 10 . 1 1 177 177 ARG N N 177 123.397 123.397 124.629 -1.232 19687 6727 1 10 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.503 -0.292 19687 6728 1 10 . 1 1 177 177 ARG CA C 177 55.855 55.855 55.802 0.053 19687 6729 1 10 . 1 1 177 177 ARG CB C 177 31.076 31.076 32.242 -1.166 19687 6730 1 10 . 1 1 177 177 ARG H H 177 8.591 8.591 8.916 -0.325 19687 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 134 5.118 0.688 5.090 19687 2 1 1 "Average Difference" HA 157 0.441 0.074 0.436 19687 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19687 4 1 1 "Average Difference" CA 146 1.464 -0.125 1.464 19687 5 1 1 "Average Difference" CB 130 3.159 -0.979 3.015 19687 6 1 1 "Average Difference" HN 134 0.572 -0.098 0.565 19687 7 1 2 "Average Difference" N 134 5.008 0.436 5.007 19687 8 1 2 "Average Difference" HA 157 0.441 0.083 0.435 19687 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19687 10 1 2 "Average Difference" CA 146 1.481 -0.159 1.478 19687 11 1 2 "Average Difference" CB 130 3.145 -1.033 2.982 19687 12 1 2 "Average Difference" HN 134 0.584 -0.111 0.575 19687 13 1 3 "Average Difference" N 134 5.043 0.533 5.034 19687 14 1 3 "Average Difference" HA 157 0.418 0.105 0.406 19687 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19687 16 1 3 "Average Difference" CA 146 1.387 -0.086 1.389 19687 17 1 3 "Average Difference" CB 130 3.118 -0.982 2.970 19687 18 1 3 "Average Difference" HN 134 0.576 -0.087 0.571 19687 19 1 4 "Average Difference" N 134 4.844 0.698 4.811 19687 20 1 4 "Average Difference" HA 157 0.421 0.064 0.418 19687 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19687 22 1 4 "Average Difference" CA 146 1.493 -0.073 1.497 19687 23 1 4 "Average Difference" CB 130 3.125 -0.990 2.975 19687 24 1 4 "Average Difference" HN 134 0.606 -0.104 0.600 19687 25 1 5 "Average Difference" N 134 5.060 0.434 5.060 19687 26 1 5 "Average Difference" HA 157 0.403 0.064 0.399 19687 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19687 28 1 5 "Average Difference" CA 146 1.351 -0.103 1.351 19687 29 1 5 "Average Difference" CB 130 3.205 -1.061 3.036 19687 30 1 5 "Average Difference" HN 134 0.563 -0.076 0.559 19687 31 1 6 "Average Difference" N 134 4.903 0.704 4.870 19687 32 1 6 "Average Difference" HA 157 0.430 0.098 0.421 19687 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19687 34 1 6 "Average Difference" CA 146 1.398 -0.200 1.388 19687 35 1 6 "Average Difference" CB 130 3.187 -1.003 3.037 19687 36 1 6 "Average Difference" HN 134 0.592 -0.102 0.586 19687 37 1 7 "Average Difference" N 134 5.168 0.636 5.148 19687 38 1 7 "Average Difference" HA 157 0.423 0.064 0.419 19687 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19687 40 1 7 "Average Difference" CA 146 1.562 -0.035 1.567 19687 41 1 7 "Average Difference" CB 130 3.091 -1.039 2.922 19687 42 1 7 "Average Difference" HN 134 0.583 -0.084 0.579 19687 43 1 8 "Average Difference" N 134 5.028 0.476 5.024 19687 44 1 8 "Average Difference" HA 157 0.414 0.061 0.411 19687 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19687 46 1 8 "Average Difference" CA 146 1.540 -0.111 1.541 19687 47 1 8 "Average Difference" CB 130 3.191 -1.026 3.033 19687 48 1 8 "Average Difference" HN 134 0.632 -0.137 0.619 19687 49 1 9 "Average Difference" N 134 5.111 0.460 5.110 19687 50 1 9 "Average Difference" HA 157 0.435 0.085 0.428 19687 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19687 52 1 9 "Average Difference" CA 146 1.505 -0.102 1.507 19687 53 1 9 "Average Difference" CB 130 3.079 -0.978 2.931 19687 54 1 9 "Average Difference" HN 134 0.583 -0.098 0.577 19687 55 1 10 "Average Difference" N 134 5.018 0.568 5.005 19687 56 1 10 "Average Difference" HA 157 0.419 0.093 0.410 19687 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19687 58 1 10 "Average Difference" CA 146 1.379 -0.056 1.382 19687 59 1 10 "Average Difference" CB 130 3.097 -1.050 2.925 19687 60 1 10 "Average Difference" HN 134 0.562 -0.109 0.554 19687 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 19687 _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 5 5 GLY CA C 5 45.663 45.663 45.464 0.200 19687 2 1 . 1 1 6 6 GLN N N 6 117.952 117.952 119.794 -1.842 19687 3 1 . 1 1 6 6 GLN HA H 6 4.199 4.199 4.242 -0.043 19687 4 1 . 1 1 6 6 GLN CA C 6 55.767 55.767 55.484 0.283 19687 5 1 . 1 1 6 6 GLN CB C 6 30.183 30.183 29.986 0.197 19687 6 1 . 1 1 6 6 GLN H H 6 8.143 8.143 8.251 -0.108 19687 7 1 . 1 1 7 7 GLU N N 7 120.150 120.150 119.261 0.889 19687 8 1 . 1 1 7 7 GLU HA H 7 4.090 4.090 4.333 -0.243 19687 9 1 . 1 1 7 7 GLU CA C 7 57.080 57.080 56.184 0.897 19687 10 1 . 1 1 7 7 GLU CB C 7 30.461 30.461 29.154 1.307 19687 11 1 . 1 1 7 7 GLU H H 7 8.468 8.468 8.517 -0.049 19687 12 1 . 1 1 8 8 GLU N N 8 117.498 117.498 119.476 -1.978 19687 13 1 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.085 0.355 19687 14 1 . 1 1 8 8 GLU CA C 8 55.256 55.256 58.615 -3.359 19687 15 1 . 1 1 8 8 GLU CB C 8 33.805 33.805 29.951 3.854 19687 16 1 . 1 1 8 8 GLU H H 8 7.997 7.997 8.524 -0.527 19687 17 1 . 1 1 9 9 PHE N N 9 121.043 121.043 117.446 3.597 19687 18 1 . 1 1 9 9 PHE H H 9 8.459 8.459 7.889 0.569 19687 19 1 . 1 1 10 10 ALA N N 10 120.252 120.252 118.813 1.439 19687 20 1 . 1 1 10 10 ALA HA H 10 4.602 4.602 4.029 0.573 19687 21 1 . 1 1 10 10 ALA CA C 10 51.150 51.150 52.439 -1.288 19687 22 1 . 1 1 10 10 ALA CB C 10 21.300 21.300 17.688 3.612 19687 23 1 . 1 1 10 10 ALA H H 10 7.566 7.566 8.157 -0.591 19687 24 1 . 1 1 11 11 VAL N N 11 119.476 119.476 117.109 2.367 19687 25 1 . 1 1 11 11 VAL HA H 11 4.234 4.234 5.046 -0.812 19687 26 1 . 1 1 11 11 VAL CA C 11 61.953 61.953 60.280 1.673 19687 27 1 . 1 1 11 11 VAL CB C 11 35.067 35.067 33.228 1.839 19687 28 1 . 1 1 11 11 VAL H H 11 8.440 8.440 8.116 0.324 19687 29 1 . 1 1 12 12 GLU N N 12 126.837 126.837 126.507 0.330 19687 30 1 . 1 1 12 12 GLU HA H 12 4.548 4.548 4.709 -0.161 19687 31 1 . 1 1 12 12 GLU CA C 12 55.013 55.013 55.021 -0.008 19687 32 1 . 1 1 12 12 GLU CB C 12 33.523 33.523 32.360 1.163 19687 33 1 . 1 1 12 12 GLU H H 12 8.787 8.787 8.905 -0.118 19687 34 1 . 1 1 13 13 ILE N N 13 124.712 124.712 126.187 -1.475 19687 35 1 . 1 1 13 13 ILE HA H 13 4.508 4.508 4.157 0.351 19687 36 1 . 1 1 13 13 ILE CA C 13 60.600 60.600 61.620 -1.020 19687 37 1 . 1 1 13 13 ILE CB C 13 39.900 39.900 38.858 1.042 19687 38 1 . 1 1 13 13 ILE H H 13 8.753 8.753 8.659 0.094 19687 39 1 . 1 1 14 14 SER N N 14 121.782 121.782 121.447 0.335 19687 40 1 . 1 1 14 14 SER HA H 14 4.607 4.607 4.749 -0.143 19687 41 1 . 1 1 14 14 SER CA C 14 56.398 56.398 57.374 -0.976 19687 42 1 . 1 1 14 14 SER CB C 14 63.918 63.918 64.251 -0.333 19687 43 1 . 1 1 14 14 SER H H 14 8.475 8.475 8.625 -0.150 19687 44 1 . 1 1 15 15 GLY CA C 15 47.494 47.494 46.838 0.656 19687 45 1 . 1 1 16 16 THR N N 16 114.515 114.515 114.958 -0.443 19687 46 1 . 1 1 16 16 THR HA H 16 4.197 4.197 4.321 -0.124 19687 47 1 . 1 1 16 16 THR CA C 16 61.600 61.600 61.895 -0.295 19687 48 1 . 1 1 16 16 THR CB C 16 68.800 68.800 68.684 0.116 19687 49 1 . 1 1 16 16 THR H H 16 8.636 8.636 8.153 0.483 19687 50 1 . 1 1 17 17 THR N N 17 118.332 118.332 117.740 0.592 19687 51 1 . 1 1 17 17 THR HA H 17 5.004 5.004 5.131 -0.127 19687 52 1 . 1 1 17 17 THR CA C 17 62.095 62.095 62.117 -0.022 19687 53 1 . 1 1 17 17 THR CB C 17 70.105 70.105 72.121 -2.016 19687 54 1 . 1 1 17 17 THR H H 17 8.353 8.353 7.643 0.710 19687 55 1 . 1 1 18 18 VAL N N 18 127.794 127.794 127.356 0.438 19687 56 1 . 1 1 18 18 VAL HA H 18 4.580 4.580 5.086 -0.506 19687 57 1 . 1 1 18 18 VAL CA C 18 61.299 61.299 59.243 2.055 19687 58 1 . 1 1 18 18 VAL CB C 18 34.365 34.365 35.350 -0.985 19687 59 1 . 1 1 18 18 VAL H H 18 8.843 8.843 8.568 0.275 19687 60 1 . 1 1 19 19 THR N N 19 121.651 121.651 122.384 -0.733 19687 61 1 . 1 1 19 19 THR CA C 19 62.635 62.635 59.819 2.816 19687 62 1 . 1 1 19 19 THR CB C 19 69.854 69.854 70.862 -1.008 19687 63 1 . 1 1 19 19 THR H H 19 8.953 8.953 8.910 0.043 19687 64 1 . 1 1 20 20 ILE N N 20 106.781 106.781 123.230 -16.449 19687 65 1 . 1 1 20 20 ILE HA H 20 4.063 4.063 4.863 -0.800 19687 66 1 . 1 1 20 20 ILE CA C 20 60.315 60.315 60.278 0.037 19687 67 1 . 1 1 20 20 ILE CB C 20 41.200 41.200 41.596 -0.396 19687 68 1 . 1 1 20 20 ILE H H 20 9.426 9.426 8.389 1.037 19687 69 1 . 1 1 21 21 THR N N 21 121.256 121.256 121.504 -0.248 19687 70 1 . 1 1 21 21 THR HA H 21 5.160 5.160 4.902 0.258 19687 71 1 . 1 1 21 21 THR CA C 21 62.116 62.116 61.895 0.221 19687 72 1 . 1 1 21 21 THR CB C 21 70.105 70.105 70.321 -0.216 19687 73 1 . 1 1 21 21 THR H H 21 9.245 9.245 8.580 0.665 19687 74 1 . 1 1 22 22 CYS N N 22 123.311 123.311 125.758 -2.447 19687 75 1 . 1 1 22 22 CYS HA H 22 2.721 2.721 4.378 -1.657 19687 76 1 . 1 1 22 22 CYS CA C 22 53.933 53.933 55.261 -1.328 19687 77 1 . 1 1 22 22 CYS CB C 22 41.093 41.093 27.645 13.448 19687 78 1 . 1 1 22 22 CYS H H 22 8.930 8.930 8.232 0.698 19687 79 1 . 1 1 23 23 PRO HA H 23 3.670 3.670 4.241 -0.570 19687 80 1 . 1 1 23 23 PRO CA C 23 64.466 64.466 63.156 1.310 19687 81 1 . 1 1 23 23 PRO CB C 23 31.647 31.647 31.827 -0.181 19687 82 1 . 1 1 24 24 SER N N 24 107.893 107.893 114.472 -6.579 19687 83 1 . 1 1 24 24 SER HA H 24 4.289 4.289 4.090 0.199 19687 84 1 . 1 1 24 24 SER CA C 24 58.121 58.121 60.257 -2.136 19687 85 1 . 1 1 24 24 SER CB C 24 65.762 65.762 63.340 2.423 19687 86 1 . 1 1 24 24 SER H H 24 6.307 6.307 7.472 -1.165 19687 87 1 . 1 1 25 25 SER N N 25 113.836 113.836 114.329 -0.493 19687 88 1 . 1 1 25 25 SER HA H 25 4.469 4.469 4.413 0.056 19687 89 1 . 1 1 25 25 SER CA C 25 57.103 57.103 58.975 -1.872 19687 90 1 . 1 1 25 25 SER CB C 25 65.185 65.185 64.462 0.723 19687 91 1 . 1 1 25 25 SER H H 25 8.121 8.121 7.950 0.171 19687 92 1 . 1 1 26 26 GLY N N 26 107.245 107.245 108.999 -1.754 19687 93 1 . 1 1 26 26 GLY CA C 26 45.276 45.276 45.171 0.105 19687 94 1 . 1 1 26 26 GLY H H 26 8.194 8.194 8.130 0.064 19687 95 1 . 1 1 27 27 ASP N N 27 116.002 116.002 120.253 -4.251 19687 96 1 . 1 1 27 27 ASP HA H 27 4.469 4.469 4.633 -0.164 19687 97 1 . 1 1 27 27 ASP CA C 27 55.223 55.223 54.749 0.474 19687 98 1 . 1 1 27 27 ASP CB C 27 41.908 41.908 41.913 -0.005 19687 99 1 . 1 1 27 27 ASP H H 27 8.186 8.186 8.290 -0.104 19687 100 1 . 1 1 28 28 ASP N N 28 117.805 117.805 119.761 -1.956 19687 101 1 . 1 1 28 28 ASP HA H 28 4.505 4.505 4.781 -0.276 19687 102 1 . 1 1 28 28 ASP CA C 28 53.814 53.814 53.590 0.224 19687 103 1 . 1 1 28 28 ASP CB C 28 40.890 40.890 40.929 -0.039 19687 104 1 . 1 1 28 28 ASP H H 28 8.319 8.319 8.066 0.253 19687 105 1 . 1 1 29 29 ILE N N 29 120.506 120.506 121.679 -1.173 19687 106 1 . 1 1 29 29 ILE HA H 29 4.190 4.190 4.154 0.037 19687 107 1 . 1 1 29 29 ILE CA C 29 61.156 61.156 61.242 -0.086 19687 108 1 . 1 1 29 29 ILE CB C 29 38.367 38.367 38.673 -0.306 19687 109 1 . 1 1 29 29 ILE H H 29 7.913 7.913 8.098 -0.185 19687 110 1 . 1 1 30 30 LYS N N 30 125.490 125.490 126.016 -0.526 19687 111 1 . 1 1 30 30 LYS HA H 30 4.766 4.766 4.620 0.146 19687 112 1 . 1 1 30 30 LYS CA C 30 54.753 54.753 54.652 0.101 19687 113 1 . 1 1 30 30 LYS CB C 30 35.485 35.485 33.841 1.644 19687 114 1 . 1 1 30 30 LYS H H 30 8.177 8.177 7.965 0.212 19687 115 1 . 1 1 31 31 TRP N N 31 121.968 121.968 125.151 -3.183 19687 116 1 . 1 1 31 31 TRP HA H 31 5.298 5.298 4.933 0.365 19687 117 1 . 1 1 31 31 TRP CA C 31 57.573 57.573 57.119 0.454 19687 118 1 . 1 1 31 31 TRP CB C 31 34.076 34.076 31.069 3.006 19687 119 1 . 1 1 31 31 TRP H H 31 8.752 8.752 8.737 0.015 19687 120 1 . 1 1 32 32 LYS N N 32 118.343 118.343 117.901 0.443 19687 121 1 . 1 1 32 32 LYS HA H 32 4.223 4.223 4.648 -0.425 19687 122 1 . 1 1 32 32 LYS CA C 32 54.597 54.597 56.561 -1.964 19687 123 1 . 1 1 32 32 LYS CB C 32 35.485 35.485 30.974 4.510 19687 124 1 . 1 1 32 32 LYS H H 32 8.876 8.876 8.533 0.343 19687 125 1 . 1 1 33 33 PRO HA H 33 4.297 4.297 4.214 0.083 19687 126 1 . 1 1 33 33 PRO CA C 33 64.292 64.292 65.306 -1.014 19687 127 1 . 1 1 33 33 PRO CB C 33 35.492 35.492 31.791 3.701 19687 128 1 . 1 1 34 34 ASP N N 34 119.044 119.044 114.052 4.992 19687 129 1 . 1 1 34 34 ASP HA H 34 5.342 5.342 4.997 0.345 19687 130 1 . 1 1 34 34 ASP CA C 34 50.951 50.951 52.683 -1.733 19687 131 1 . 1 1 34 34 ASP CB C 34 42.122 42.122 41.735 0.387 19687 132 1 . 1 1 34 34 ASP H H 34 8.039 8.039 8.171 -0.132 19687 133 1 . 1 1 35 35 PRO HA H 35 4.334 4.334 4.457 -0.122 19687 134 1 . 1 1 35 35 PRO CA C 35 65.137 65.137 64.570 0.567 19687 135 1 . 1 1 35 35 PRO CB C 35 32.892 32.892 32.078 0.814 19687 136 1 . 1 1 36 36 ALA N N 36 117.764 117.764 120.400 -2.636 19687 137 1 . 1 1 36 36 ALA HA H 36 4.127 4.127 4.109 0.018 19687 138 1 . 1 1 36 36 ALA CA C 36 54.475 54.475 53.982 0.493 19687 139 1 . 1 1 36 36 ALA CB C 36 18.915 18.915 18.863 0.052 19687 140 1 . 1 1 36 36 ALA H H 36 8.126 8.126 8.117 0.009 19687 141 1 . 1 1 37 37 LEU N N 37 115.927 115.927 112.019 3.908 19687 142 1 . 1 1 37 37 LEU HA H 37 3.920 3.920 4.461 -0.541 19687 143 1 . 1 1 37 37 LEU CA C 37 55.427 55.427 52.989 2.438 19687 144 1 . 1 1 37 37 LEU CB C 37 38.577 38.577 41.174 -2.597 19687 145 1 . 1 1 37 37 LEU H H 37 7.576 7.576 7.151 0.425 19687 146 1 . 1 1 38 38 GLY N N 38 127.283 127.283 107.834 19.449 19687 147 1 . 1 1 38 38 GLY CA C 38 45.399 45.399 44.071 1.328 19687 148 1 . 1 1 38 38 GLY H H 38 7.341 7.341 7.459 -0.118 19687 149 1 . 1 1 39 39 ASP N N 39 122.925 122.925 123.272 -0.347 19687 150 1 . 1 1 39 39 ASP HA H 39 4.559 4.559 4.702 -0.143 19687 151 1 . 1 1 39 39 ASP CA C 39 53.733 53.733 53.210 0.523 19687 152 1 . 1 1 39 39 ASP CB C 39 42.088 42.088 43.839 -1.751 19687 153 1 . 1 1 39 39 ASP H H 39 9.095 9.095 8.078 1.017 19687 154 1 . 1 1 40 40 ASN N N 40 122.444 122.444 119.341 3.103 19687 155 1 . 1 1 40 40 ASN HA H 40 4.325 4.325 4.488 -0.163 19687 156 1 . 1 1 40 40 ASN CA C 40 56.339 56.339 55.999 0.340 19687 157 1 . 1 1 40 40 ASN CB C 40 38.437 38.437 38.480 -0.043 19687 158 1 . 1 1 40 40 ASN H H 40 9.267 9.267 8.765 0.502 19687 159 1 . 1 1 41 41 ASN N N 41 119.328 119.328 116.061 3.267 19687 160 1 . 1 1 41 41 ASN HA H 41 4.434 4.434 4.621 -0.187 19687 161 1 . 1 1 41 41 ASN CA C 41 55.053 55.053 53.508 1.545 19687 162 1 . 1 1 41 41 ASN CB C 41 37.768 37.768 38.563 -0.795 19687 163 1 . 1 1 41 41 ASN H H 41 8.661 8.661 8.699 -0.038 19687 164 1 . 1 1 42 42 LYS N N 42 119.592 119.592 118.829 0.763 19687 165 1 . 1 1 42 42 LYS HA H 42 5.586 5.586 5.188 0.398 19687 166 1 . 1 1 42 42 LYS CA C 42 54.984 54.984 55.950 -0.966 19687 167 1 . 1 1 42 42 LYS CB C 42 36.822 36.822 36.229 0.593 19687 168 1 . 1 1 42 42 LYS H H 42 8.195 8.195 7.780 0.416 19687 169 1 . 1 1 43 43 TYR N N 43 123.577 123.577 123.706 -0.129 19687 170 1 . 1 1 43 43 TYR HA H 43 3.775 3.775 4.289 -0.514 19687 171 1 . 1 1 43 43 TYR CA C 43 57.373 57.373 56.373 1.000 19687 172 1 . 1 1 43 43 TYR CB C 43 40.262 40.262 39.427 0.835 19687 173 1 . 1 1 43 43 TYR H H 43 8.661 8.661 8.952 -0.291 19687 174 1 . 1 1 44 44 ILE N N 44 124.735 124.735 128.034 -3.299 19687 175 1 . 1 1 44 44 ILE HA H 44 4.559 4.559 4.006 0.553 19687 176 1 . 1 1 44 44 ILE CA C 44 61.213 61.213 59.697 1.516 19687 177 1 . 1 1 44 44 ILE CB C 44 40.192 40.192 36.676 3.516 19687 178 1 . 1 1 44 44 ILE H H 44 7.239 7.239 8.022 -0.783 19687 179 1 . 1 1 45 45 ILE N N 45 126.245 126.245 128.225 -1.980 19687 180 1 . 1 1 45 45 ILE HA H 45 3.874 3.874 4.127 -0.253 19687 181 1 . 1 1 45 45 ILE CA C 45 60.552 60.552 60.821 -0.269 19687 182 1 . 1 1 45 45 ILE CB C 45 39.520 39.520 38.574 0.946 19687 183 1 . 1 1 45 45 ILE H H 45 8.984 8.984 8.690 0.295 19687 184 1 . 1 1 46 46 GLN N N 46 122.581 122.581 124.538 -1.957 19687 185 1 . 1 1 46 46 GLN HA H 46 4.199 4.199 4.723 -0.524 19687 186 1 . 1 1 46 46 GLN CA C 46 56.207 56.207 54.922 1.285 19687 187 1 . 1 1 46 46 GLN CB C 46 30.136 30.136 32.446 -2.310 19687 188 1 . 1 1 46 46 GLN H H 46 8.356 8.356 8.413 -0.057 19687 189 1 . 1 1 47 47 ASN N N 47 116.902 116.902 118.345 -1.443 19687 190 1 . 1 1 47 47 ASN HA H 47 4.208 4.208 4.298 -0.090 19687 191 1 . 1 1 47 47 ASN CA C 47 53.420 53.420 54.369 -0.949 19687 192 1 . 1 1 47 47 ASN CB C 47 37.945 37.945 37.997 -0.052 19687 193 1 . 1 1 47 47 ASN H H 47 9.115 9.115 8.852 0.263 19687 194 1 . 1 1 48 48 HIS N N 48 117.711 117.711 118.182 -0.471 19687 195 1 . 1 1 48 48 HIS HA H 48 4.352 4.352 4.382 -0.030 19687 196 1 . 1 1 48 48 HIS CA C 48 57.673 57.673 57.139 0.534 19687 197 1 . 1 1 48 48 HIS CB C 48 32.048 32.048 30.797 1.251 19687 198 1 . 1 1 48 48 HIS H H 48 8.727 8.727 8.196 0.531 19687 199 1 . 1 1 49 49 ASP N N 49 124.049 124.049 120.359 3.690 19687 200 1 . 1 1 49 49 ASP HA H 49 4.199 4.199 4.706 -0.507 19687 201 1 . 1 1 49 49 ASP CA C 49 53.810 53.810 53.030 0.780 19687 202 1 . 1 1 49 49 ASP CB C 49 41.232 41.232 43.230 -1.998 19687 203 1 . 1 1 49 49 ASP H H 49 7.339 7.339 7.656 -0.317 19687 204 1 . 1 1 50 50 SER N N 50 100.425 100.425 119.218 -18.793 19687 205 1 . 1 1 50 50 SER HA H 50 4.100 4.100 4.397 -0.297 19687 206 1 . 1 1 50 50 SER CA C 50 54.542 54.542 59.433 -4.891 19687 207 1 . 1 1 50 50 SER CB C 50 61.489 61.489 62.485 -0.996 19687 208 1 . 1 1 50 50 SER H H 50 5.420 5.420 8.574 -3.154 19687 209 1 . 1 1 51 51 SER N N 51 115.785 115.785 120.209 -4.424 19687 210 1 . 1 1 51 51 SER HA H 51 4.619 4.619 4.794 -0.175 19687 211 1 . 1 1 51 51 SER CA C 51 57.320 57.320 57.036 0.284 19687 212 1 . 1 1 51 51 SER CB C 51 63.171 63.171 64.100 -0.929 19687 213 1 . 1 1 51 51 SER H H 51 7.543 7.543 8.027 -0.484 19687 214 1 . 1 1 52 52 PRO HA H 52 4.443 4.443 4.890 -0.447 19687 215 1 . 1 1 52 52 PRO CA C 52 63.741 63.741 61.910 1.831 19687 216 1 . 1 1 52 52 PRO CB C 52 32.821 32.821 32.817 0.004 19687 217 1 . 1 1 53 53 LEU N N 53 120.506 120.506 112.674 7.832 19687 218 1 . 1 1 53 53 LEU HA H 53 4.525 4.525 4.373 0.152 19687 219 1 . 1 1 53 53 LEU CA C 53 54.700 54.700 54.776 -0.076 19687 220 1 . 1 1 53 53 LEU CB C 53 46.300 46.300 43.834 2.466 19687 221 1 . 1 1 53 53 LEU H H 53 8.243 8.243 7.370 0.873 19687 222 1 . 1 1 54 54 THR N N 54 116.375 116.375 118.764 -2.389 19687 223 1 . 1 1 54 54 THR HA H 54 5.307 5.307 4.375 0.932 19687 224 1 . 1 1 54 54 THR CA C 54 61.956 61.956 63.152 -1.196 19687 225 1 . 1 1 54 54 THR CB C 54 70.170 70.170 68.954 1.216 19687 226 1 . 1 1 54 54 THR H H 54 7.839 7.839 8.385 -0.546 19687 227 1 . 1 1 55 55 VAL N N 55 123.311 123.311 128.243 -4.932 19687 228 1 . 1 1 55 55 VAL HA H 55 4.766 4.766 4.299 0.467 19687 229 1 . 1 1 55 55 VAL CA C 55 59.677 59.677 60.132 -0.455 19687 230 1 . 1 1 55 55 VAL CB C 55 35.987 35.987 33.984 2.003 19687 231 1 . 1 1 55 55 VAL H H 55 8.941 8.941 8.625 0.316 19687 232 1 . 1 1 56 56 SER N N 56 115.664 115.664 123.141 -7.477 19687 233 1 . 1 1 56 56 SER HA H 56 5.811 5.811 5.269 0.542 19687 234 1 . 1 1 56 56 SER CA C 56 56.606 56.606 56.992 -0.386 19687 235 1 . 1 1 56 56 SER CB C 56 67.712 67.712 64.941 2.771 19687 236 1 . 1 1 56 56 SER H H 56 8.748 8.748 8.486 0.262 19687 237 1 . 1 1 57 57 CYS N N 57 113.093 113.093 120.263 -7.170 19687 238 1 . 1 1 57 57 CYS HA H 57 4.956 4.956 4.720 0.236 19687 239 1 . 1 1 57 57 CYS CA C 57 53.136 53.136 57.675 -4.539 19687 240 1 . 1 1 57 57 CYS CB C 57 48.859 48.859 31.082 17.777 19687 241 1 . 1 1 57 57 CYS H H 57 8.766 8.766 8.894 -0.128 19687 242 1 . 1 1 58 58 THR N N 58 115.221 115.221 121.590 -6.369 19687 243 1 . 1 1 58 58 THR HA H 58 4.829 4.829 4.900 -0.071 19687 244 1 . 1 1 58 58 THR CA C 58 61.394 61.394 61.835 -0.441 19687 245 1 . 1 1 58 58 THR CB C 58 70.872 70.872 70.515 0.357 19687 246 1 . 1 1 58 58 THR H H 58 8.440 8.440 8.036 0.404 19687 247 1 . 1 1 59 59 ALA N N 59 128.540 128.540 129.520 -0.980 19687 248 1 . 1 1 59 59 ALA HA H 59 4.442 4.442 4.818 -0.376 19687 249 1 . 1 1 59 59 ALA CA C 59 50.661 50.661 50.283 0.378 19687 250 1 . 1 1 59 59 ALA CB C 59 21.230 21.230 19.614 1.616 19687 251 1 . 1 1 59 59 ALA H H 59 8.489 8.489 8.032 0.457 19687 252 1 . 1 1 60 60 GLY N N 60 114.199 114.199 114.049 0.150 19687 253 1 . 1 1 60 60 GLY CA C 60 47.668 47.668 47.021 0.647 19687 254 1 . 1 1 60 60 GLY H H 60 9.072 9.072 8.626 0.446 19687 255 1 . 1 1 61 61 ASP N N 61 122.847 122.847 125.396 -2.549 19687 256 1 . 1 1 61 61 ASP HA H 61 4.352 4.352 4.860 -0.508 19687 257 1 . 1 1 61 61 ASP CA C 61 54.605 54.605 53.526 1.079 19687 258 1 . 1 1 61 61 ASP CB C 61 41.278 41.278 41.365 -0.087 19687 259 1 . 1 1 61 61 ASP H H 61 8.553 8.553 8.447 0.105 19687 260 1 . 1 1 62 62 GLN N N 62 117.800 117.800 118.807 -1.007 19687 261 1 . 1 1 62 62 GLN HA H 62 4.190 4.190 4.560 -0.370 19687 262 1 . 1 1 62 62 GLN CA C 62 55.357 55.357 54.745 0.612 19687 263 1 . 1 1 62 62 GLN CB C 62 31.276 31.276 32.447 -1.171 19687 264 1 . 1 1 62 62 GLN H H 62 7.703 7.703 7.527 0.176 19687 265 1 . 1 1 63 63 GLU N N 63 123.165 123.165 121.548 1.617 19687 266 1 . 1 1 63 63 GLU HA H 63 4.640 4.640 5.105 -0.465 19687 267 1 . 1 1 63 63 GLU CA C 63 55.465 55.465 55.552 -0.087 19687 268 1 . 1 1 63 63 GLU CB C 63 32.603 32.603 31.906 0.697 19687 269 1 . 1 1 63 63 GLU H H 63 8.143 8.143 8.700 -0.557 19687 270 1 . 1 1 64 64 HIS N N 64 125.182 125.182 124.881 0.301 19687 271 1 . 1 1 64 64 HIS HA H 64 4.764 4.764 5.016 -0.253 19687 272 1 . 1 1 64 64 HIS CA C 64 55.277 55.277 55.392 -0.114 19687 273 1 . 1 1 64 64 HIS CB C 64 33.100 33.100 33.703 -0.603 19687 274 1 . 1 1 64 64 HIS H H 64 8.925 8.925 8.787 0.138 19687 275 1 . 1 1 65 65 THR N N 65 120.044 120.044 114.052 5.992 19687 276 1 . 1 1 65 65 THR HA H 65 4.996 4.996 5.480 -0.484 19687 277 1 . 1 1 65 65 THR CA C 65 63.303 63.303 60.483 2.820 19687 278 1 . 1 1 65 65 THR CB C 65 71.145 71.145 71.991 -0.846 19687 279 1 . 1 1 65 65 THR H H 65 9.376 9.376 9.322 0.054 19687 280 1 . 1 1 66 66 MET N N 66 126.414 126.414 121.245 5.169 19687 281 1 . 1 1 66 66 MET HA H 66 5.512 5.512 5.016 0.496 19687 282 1 . 1 1 66 66 MET CA C 66 52.610 52.610 55.295 -2.685 19687 283 1 . 1 1 66 66 MET CB C 66 36.065 36.065 37.229 -1.164 19687 284 1 . 1 1 66 66 MET H H 66 9.422 9.422 8.964 0.458 19687 285 1 . 1 1 67 67 TYR N N 67 124.879 124.879 124.282 0.597 19687 286 1 . 1 1 67 67 TYR HA H 67 4.807 4.807 4.968 -0.161 19687 287 1 . 1 1 67 67 TYR CA C 67 57.601 57.601 58.352 -0.751 19687 288 1 . 1 1 67 67 TYR CB C 67 40.700 40.700 39.623 1.077 19687 289 1 . 1 1 67 67 TYR H H 67 9.023 9.023 8.331 0.692 19687 290 1 . 1 1 68 68 LEU N N 68 127.991 127.991 129.131 -1.140 19687 291 1 . 1 1 68 68 LEU HA H 68 4.783 4.783 4.685 0.098 19687 292 1 . 1 1 68 68 LEU CA C 68 52.795 52.795 53.956 -1.161 19687 293 1 . 1 1 68 68 LEU CB C 68 44.966 44.966 43.121 1.845 19687 294 1 . 1 1 68 68 LEU H H 68 8.714 8.714 8.791 -0.077 19687 295 1 . 1 1 69 69 ASN N N 69 125.992 125.992 124.109 1.883 19687 296 1 . 1 1 69 69 ASN HA H 69 4.458 4.458 5.518 -1.060 19687 297 1 . 1 1 69 69 ASN CA C 69 51.307 51.307 51.994 -0.687 19687 298 1 . 1 1 69 69 ASN CB C 69 37.896 37.896 40.205 -2.309 19687 299 1 . 1 1 69 69 ASN H H 69 8.369 8.369 8.416 -0.047 19687 300 1 . 1 1 70 70 ALA N N 70 122.336 122.336 125.107 -2.771 19687 301 1 . 1 1 70 70 ALA HA H 70 4.712 4.712 4.728 -0.016 19687 302 1 . 1 1 70 70 ALA CA C 70 50.121 50.121 51.935 -1.814 19687 303 1 . 1 1 70 70 ALA CB C 70 21.166 21.166 22.064 -0.898 19687 304 1 . 1 1 70 70 ALA H H 70 8.581 8.581 8.255 0.326 19687 305 1 . 1 1 71 71 LYS N N 71 120.661 120.661 119.888 0.773 19687 306 1 . 1 1 71 71 LYS HA H 71 4.307 4.307 4.742 -0.435 19687 307 1 . 1 1 71 71 LYS CA C 71 54.956 54.956 55.103 -0.146 19687 308 1 . 1 1 71 71 LYS CB C 71 32.867 32.867 34.483 -1.616 19687 309 1 . 1 1 71 71 LYS H H 71 8.558 8.558 8.435 0.123 19687 310 1 . 1 1 72 72 VAL N N 72 114.526 114.526 118.840 -4.314 19687 311 1 . 1 1 72 72 VAL HA H 72 4.379 4.379 4.339 0.040 19687 312 1 . 1 1 72 72 VAL CA C 72 59.763 59.763 61.351 -1.588 19687 313 1 . 1 1 72 72 VAL CB C 72 34.225 34.225 32.626 1.599 19687 314 1 . 1 1 72 72 VAL H H 72 8.384 8.384 8.288 0.096 19687 315 1 . 1 1 73 73 GLY N N 73 107.198 107.198 114.721 -7.523 19687 316 1 . 1 1 73 73 GLY CA C 73 45.354 45.354 45.138 0.216 19687 317 1 . 1 1 73 73 GLY H H 73 8.036 8.036 8.489 -0.453 19687 318 1 . 1 1 74 74 SER N N 74 113.743 113.743 118.009 -4.266 19687 319 1 . 1 1 74 74 SER CA C 74 58.043 58.043 57.329 0.714 19687 320 1 . 1 1 74 74 SER CB C 74 64.622 64.622 63.518 1.104 19687 321 1 . 1 1 74 74 SER H H 74 8.292 8.292 8.169 0.123 19687 322 1 . 1 1 75 75 ALA HA H 75 4.145 4.145 4.317 -0.172 19687 323 1 . 1 1 75 75 ALA CA C 75 53.630 53.630 53.183 0.447 19687 324 1 . 1 1 75 75 ALA CB C 75 19.565 19.565 19.009 0.556 19687 325 1 . 1 1 76 76 ASP N N 76 117.216 117.216 119.871 -2.655 19687 326 1 . 1 1 76 76 ASP HA H 76 4.400 4.400 4.781 -0.381 19687 327 1 . 1 1 76 76 ASP CA C 76 55.110 55.110 54.467 0.643 19687 328 1 . 1 1 76 76 ASP CB C 76 41.466 41.466 42.470 -1.004 19687 329 1 . 1 1 76 76 ASP H H 76 8.189 8.189 8.414 -0.225 19687 330 1 . 1 1 77 77 ASP HA H 77 4.101 4.101 4.776 -0.675 19687 331 1 . 1 1 77 77 ASP CA C 77 53.040 53.040 54.117 -1.077 19687 332 1 . 1 1 82 82 ALA HA H 82 4.073 4.073 4.350 -0.277 19687 333 1 . 1 1 82 82 ALA CA C 82 53.462 53.462 52.104 1.358 19687 334 1 . 1 1 82 82 ALA CB C 82 19.492 19.492 19.155 0.337 19687 335 1 . 1 1 83 83 ALA N N 83 120.555 120.555 124.065 -3.510 19687 336 1 . 1 1 83 83 ALA HA H 83 4.922 4.922 4.408 0.514 19687 337 1 . 1 1 83 83 ALA CA C 83 53.158 53.158 52.177 0.981 19687 338 1 . 1 1 83 83 ALA H H 83 8.048 8.048 8.298 -0.250 19687 339 1 . 1 1 96 96 ASP HA H 96 4.101 4.101 4.655 -0.554 19687 340 1 . 1 1 96 96 ASP CA C 96 56.270 56.270 54.126 2.144 19687 341 1 . 1 1 96 96 ASP CB C 96 42.369 42.369 41.782 0.587 19687 342 1 . 1 1 97 97 GLY N N 97 106.760 106.760 109.175 -2.415 19687 343 1 . 1 1 97 97 GLY CA C 97 45.934 45.934 44.959 0.975 19687 344 1 . 1 1 97 97 GLY H H 97 8.313 8.313 8.394 -0.081 19687 345 1 . 1 1 98 98 SER N N 98 114.252 114.252 116.915 -2.663 19687 346 1 . 1 1 98 98 SER HA H 98 4.281 4.281 4.561 -0.280 19687 347 1 . 1 1 98 98 SER CA C 98 59.061 59.061 58.401 0.660 19687 348 1 . 1 1 98 98 SER CB C 98 64.152 64.152 64.071 0.082 19687 349 1 . 1 1 98 98 SER H H 98 8.179 8.179 8.210 -0.031 19687 350 1 . 1 1 99 99 VAL N N 99 119.765 119.765 123.775 -4.010 19687 351 1 . 1 1 99 99 VAL HA H 99 3.993 3.993 4.289 -0.296 19687 352 1 . 1 1 99 99 VAL CA C 99 62.728 62.728 62.348 0.380 19687 353 1 . 1 1 99 99 VAL CB C 99 32.891 32.891 32.149 0.742 19687 354 1 . 1 1 99 99 VAL H H 99 7.978 7.978 8.440 -0.462 19687 355 1 . 1 1 100 100 ALA N N 100 126.348 126.348 123.977 2.371 19687 356 1 . 1 1 100 100 ALA HA H 100 4.119 4.119 4.328 -0.209 19687 357 1 . 1 1 100 100 ALA CA C 100 52.933 52.933 52.555 0.378 19687 358 1 . 1 1 100 100 ALA CB C 100 20.172 20.172 18.798 1.374 19687 359 1 . 1 1 100 100 ALA H H 100 8.244 8.244 7.908 0.336 19687 360 1 . 1 1 101 101 LYS N N 101 118.495 118.495 119.648 -1.153 19687 361 1 . 1 1 101 101 LYS HA H 101 4.227 4.227 4.342 -0.115 19687 362 1 . 1 1 101 101 LYS CA C 101 56.279 56.279 56.212 0.067 19687 363 1 . 1 1 101 101 LYS CB C 101 33.917 33.917 32.366 1.551 19687 364 1 . 1 1 101 101 LYS H H 101 8.105 8.105 8.307 -0.202 19687 365 1 . 1 1 102 102 LEU N N 102 123.225 123.225 120.708 2.517 19687 366 1 . 1 1 102 102 LEU HA H 102 4.240 4.240 4.414 -0.174 19687 367 1 . 1 1 102 102 LEU CA C 102 55.200 55.200 54.558 0.642 19687 368 1 . 1 1 102 102 LEU CB C 102 43.033 43.033 42.066 0.967 19687 369 1 . 1 1 102 102 LEU H H 102 8.308 8.308 7.845 0.463 19687 370 1 . 1 1 103 103 GLY N N 103 108.552 108.552 109.667 -1.115 19687 371 1 . 1 1 103 103 GLY CA C 103 45.287 45.287 45.175 0.112 19687 372 1 . 1 1 103 103 GLY H H 103 8.286 8.286 8.223 0.063 19687 373 1 . 1 1 104 104 VAL N N 104 118.898 118.898 118.623 0.275 19687 374 1 . 1 1 104 104 VAL HA H 104 4.386 4.386 4.043 0.343 19687 375 1 . 1 1 104 104 VAL CA C 104 62.978 62.978 63.625 -0.647 19687 376 1 . 1 1 104 104 VAL CB C 104 32.901 32.901 31.936 0.965 19687 377 1 . 1 1 104 104 VAL H H 104 7.845 7.845 8.059 -0.214 19687 378 1 . 1 1 105 105 HIS HA H 105 4.697 4.697 4.667 0.030 19687 379 1 . 1 1 105 105 HIS CA C 105 55.848 55.848 55.969 -0.121 19687 380 1 . 1 1 105 105 HIS CB C 105 32.961 32.961 29.759 3.202 19687 381 1 . 1 1 106 106 GLY N N 106 108.707 108.707 109.395 -0.688 19687 382 1 . 1 1 106 106 GLY CA C 106 45.687 45.687 45.060 0.627 19687 383 1 . 1 1 106 106 GLY H H 106 8.318 8.318 8.084 0.234 19687 384 1 . 1 1 107 107 LEU N N 107 121.670 121.670 120.962 0.708 19687 385 1 . 1 1 107 107 LEU HA H 107 4.402 4.402 4.799 -0.397 19687 386 1 . 1 1 107 107 LEU CA C 107 55.497 55.497 54.520 0.977 19687 387 1 . 1 1 107 107 LEU CB C 107 43.632 43.632 44.152 -0.520 19687 388 1 . 1 1 107 107 LEU H H 107 8.191 8.191 8.159 0.032 19687 389 1 . 1 1 108 108 SER N N 108 118.838 118.838 118.359 0.479 19687 390 1 . 1 1 108 108 SER HA H 108 4.704 4.704 4.753 -0.049 19687 391 1 . 1 1 108 108 SER CA C 108 57.430 57.430 57.852 -0.422 19687 392 1 . 1 1 108 108 SER CB C 108 65.954 65.954 64.894 1.060 19687 393 1 . 1 1 108 108 SER H H 108 8.523 8.523 8.406 0.117 19687 394 1 . 1 1 109 109 MET N N 109 123.671 123.671 123.575 0.096 19687 395 1 . 1 1 109 109 MET HA H 109 5.118 5.118 4.775 0.343 19687 396 1 . 1 1 109 109 MET CA C 109 55.146 55.146 55.744 -0.597 19687 397 1 . 1 1 109 109 MET CB C 109 35.799 35.799 34.908 0.891 19687 398 1 . 1 1 109 109 MET H H 109 8.351 8.351 8.395 -0.044 19687 399 1 . 1 1 110 110 SER N N 110 118.211 118.211 116.035 2.176 19687 400 1 . 1 1 110 110 SER HA H 110 4.668 4.668 5.148 -0.480 19687 401 1 . 1 1 110 110 SER CA C 110 57.103 57.103 56.968 0.135 19687 402 1 . 1 1 110 110 SER CB C 110 66.659 66.659 66.968 -0.309 19687 403 1 . 1 1 110 110 SER H H 110 9.061 9.061 8.167 0.894 19687 404 1 . 1 1 111 111 VAL N N 111 119.042 119.042 117.091 1.951 19687 405 1 . 1 1 111 111 VAL HA H 111 4.290 4.290 4.677 -0.387 19687 406 1 . 1 1 111 111 VAL CA C 111 61.166 61.166 59.840 1.326 19687 407 1 . 1 1 111 111 VAL CB C 111 33.733 33.733 33.695 0.038 19687 408 1 . 1 1 111 111 VAL H H 111 7.923 7.923 8.407 -0.484 19687 409 1 . 1 1 112 112 LYS N N 112 126.477 126.477 124.968 1.510 19687 410 1 . 1 1 112 112 LYS HA H 112 4.506 4.506 4.598 -0.091 19687 411 1 . 1 1 112 112 LYS CA C 112 54.832 54.832 54.671 0.161 19687 412 1 . 1 1 112 112 LYS CB C 112 35.955 35.955 35.391 0.564 19687 413 1 . 1 1 112 112 LYS H H 112 9.181 9.181 8.963 0.218 19687 414 1 . 1 1 113 113 GLU N N 113 121.962 121.962 123.096 -1.134 19687 415 1 . 1 1 113 113 GLU HA H 113 5.236 5.236 4.949 0.287 19687 416 1 . 1 1 113 113 GLU CA C 113 54.795 54.795 55.377 -0.582 19687 417 1 . 1 1 113 113 GLU CB C 113 30.714 30.714 31.254 -0.540 19687 418 1 . 1 1 113 113 GLU H H 113 8.410 8.410 8.652 -0.242 19687 419 1 . 1 1 114 114 VAL N N 114 122.453 122.453 123.305 -0.852 19687 420 1 . 1 1 114 114 VAL HA H 114 4.160 4.160 4.537 -0.377 19687 421 1 . 1 1 114 114 VAL CA C 114 61.646 61.646 59.742 1.904 19687 422 1 . 1 1 114 114 VAL CB C 114 35.564 35.564 34.324 1.241 19687 423 1 . 1 1 114 114 VAL H H 114 8.744 8.744 8.389 0.356 19687 424 1 . 1 1 115 115 SER HA H 115 3.884 3.884 4.215 -0.331 19687 425 1 . 1 1 115 115 SER CA C 115 58.726 58.726 60.072 -1.346 19687 426 1 . 1 1 115 115 SER CB C 115 62.588 62.588 62.672 -0.084 19687 427 1 . 1 1 116 116 GLY N N 116 126.353 126.353 112.617 13.736 19687 428 1 . 1 1 116 116 GLY CA C 116 45.766 45.766 45.998 -0.232 19687 429 1 . 1 1 116 116 GLY H H 116 8.744 8.744 8.217 0.527 19687 430 1 . 1 1 117 117 LYS N N 117 120.735 120.735 119.106 1.629 19687 431 1 . 1 1 117 117 LYS HA H 117 4.600 4.600 4.749 -0.149 19687 432 1 . 1 1 117 117 LYS CA C 117 55.273 55.273 54.799 0.474 19687 433 1 . 1 1 117 117 LYS CB C 117 36.333 36.333 36.775 -0.442 19687 434 1 . 1 1 117 117 LYS H H 117 7.934 7.934 8.216 -0.282 19687 435 1 . 1 1 118 118 VAL N N 118 117.642 117.642 116.836 0.806 19687 436 1 . 1 1 118 118 VAL HA H 118 4.157 4.157 4.944 -0.787 19687 437 1 . 1 1 118 118 VAL CA C 118 61.745 61.745 60.888 0.857 19687 438 1 . 1 1 118 118 VAL CB C 118 33.627 33.627 33.181 0.445 19687 439 1 . 1 1 118 118 VAL H H 118 7.619 7.619 7.755 -0.136 19687 440 1 . 1 1 119 119 PHE N N 119 121.052 121.052 125.229 -4.177 19687 441 1 . 1 1 119 119 PHE HA H 119 5.213 5.213 5.441 -0.228 19687 442 1 . 1 1 119 119 PHE CA C 119 55.468 55.468 55.609 -0.141 19687 443 1 . 1 1 119 119 PHE CB C 119 42.987 42.987 41.790 1.196 19687 444 1 . 1 1 119 119 PHE H H 119 8.860 8.860 8.595 0.266 19687 445 1 . 1 1 120 120 LEU N N 120 117.758 117.758 117.831 -0.073 19687 446 1 . 1 1 120 120 LEU HA H 120 5.102 5.102 4.956 0.146 19687 447 1 . 1 1 120 120 LEU CA C 120 52.993 52.993 54.092 -1.099 19687 448 1 . 1 1 120 120 LEU CB C 120 44.439 44.439 46.532 -2.093 19687 449 1 . 1 1 120 120 LEU H H 120 8.576 8.576 8.856 -0.280 19687 450 1 . 1 1 121 121 GLN N N 121 116.064 116.064 117.749 -1.685 19687 451 1 . 1 1 121 121 GLN HA H 121 4.289 4.289 4.643 -0.354 19687 452 1 . 1 1 121 121 GLN CA C 121 54.980 54.980 54.572 0.408 19687 453 1 . 1 1 121 121 GLN CB C 121 33.042 33.042 32.218 0.824 19687 454 1 . 1 1 121 121 GLN H H 121 8.481 8.481 8.180 0.301 19687 455 1 . 1 1 122 122 CYS N N 122 120.052 120.052 118.272 1.780 19687 456 1 . 1 1 122 122 CYS HA H 122 5.240 5.240 4.852 0.388 19687 457 1 . 1 1 122 122 CYS CA C 122 54.865 54.865 57.045 -2.180 19687 458 1 . 1 1 122 122 CYS CB C 122 44.500 44.500 31.241 13.259 19687 459 1 . 1 1 122 122 CYS H H 122 9.203 9.203 7.998 1.205 19687 460 1 . 1 1 123 123 GLN N N 123 115.174 115.174 121.199 -6.025 19687 461 1 . 1 1 123 123 GLN HA H 123 4.421 4.421 4.522 -0.101 19687 462 1 . 1 1 123 123 GLN CA C 123 55.682 55.682 55.289 0.393 19687 463 1 . 1 1 123 123 GLN CB C 123 32.613 32.613 29.882 2.731 19687 464 1 . 1 1 123 123 GLN H H 123 8.106 8.106 8.507 -0.401 19687 465 1 . 1 1 124 124 GLU N N 124 120.534 120.534 124.554 -4.020 19687 466 1 . 1 1 124 124 GLU HA H 124 4.148 4.148 4.483 -0.335 19687 467 1 . 1 1 124 124 GLU CA C 124 55.960 55.960 56.076 -0.116 19687 468 1 . 1 1 124 124 GLU CB C 124 32.752 32.752 31.272 1.480 19687 469 1 . 1 1 124 124 GLU H H 124 8.578 8.578 8.751 -0.173 19687 470 1 . 1 1 132 132 TYR N N 132 122.981 122.981 118.883 4.098 19687 471 1 . 1 1 132 132 TYR HA H 132 4.392 4.392 4.612 -0.220 19687 472 1 . 1 1 132 132 TYR CA C 132 55.015 55.015 57.268 -2.253 19687 473 1 . 1 1 132 132 TYR H H 132 8.286 8.286 8.239 0.047 19687 474 1 . 1 1 133 133 LEU N N 133 122.894 122.894 122.156 0.738 19687 475 1 . 1 1 133 133 LEU HA H 133 4.608 4.608 4.598 0.010 19687 476 1 . 1 1 133 133 LEU CA C 133 55.155 55.155 54.198 0.957 19687 477 1 . 1 1 133 133 LEU CB C 133 43.071 43.071 42.578 0.493 19687 478 1 . 1 1 133 133 LEU H H 133 8.102 8.102 8.578 -0.476 19687 479 1 . 1 1 134 134 TRP N N 134 125.713 125.713 126.275 -0.562 19687 480 1 . 1 1 134 134 TRP HA H 134 5.518 5.518 5.197 0.321 19687 481 1 . 1 1 134 134 TRP CA C 134 56.406 56.406 56.153 0.253 19687 482 1 . 1 1 134 134 TRP CB C 134 32.329 32.329 32.444 -0.115 19687 483 1 . 1 1 134 134 TRP H H 134 8.763 8.763 8.406 0.357 19687 484 1 . 1 1 135 135 LYS N N 135 118.492 118.492 128.756 -10.264 19687 485 1 . 1 1 135 135 LYS HA H 135 5.229 5.229 4.982 0.247 19687 486 1 . 1 1 135 135 LYS CA C 135 55.041 55.041 54.010 1.031 19687 487 1 . 1 1 135 135 LYS CB C 135 38.016 38.016 36.348 1.668 19687 488 1 . 1 1 135 135 LYS H H 135 9.321 9.321 8.975 0.346 19687 489 1 . 1 1 136 136 LYS N N 136 121.232 121.232 127.096 -5.864 19687 490 1 . 1 1 136 136 LYS HA H 136 4.691 4.691 4.517 0.174 19687 491 1 . 1 1 136 136 LYS CA C 136 55.145 55.145 55.950 -0.805 19687 492 1 . 1 1 136 136 LYS CB C 136 35.015 35.015 34.318 0.697 19687 493 1 . 1 1 136 136 LYS H H 136 8.509 8.509 7.810 0.699 19687 494 1 . 1 1 137 137 GLY N N 137 116.933 116.933 111.423 5.510 19687 495 1 . 1 1 137 137 GLY CA C 137 47.469 47.469 47.224 0.245 19687 496 1 . 1 1 137 137 GLY H H 137 8.641 8.641 8.554 0.087 19687 497 1 . 1 1 138 138 LYS N N 138 124.712 124.712 117.952 6.760 19687 498 1 . 1 1 138 138 LYS HA H 138 4.426 4.426 4.398 0.028 19687 499 1 . 1 1 138 138 LYS CA C 138 57.174 57.174 56.173 1.001 19687 500 1 . 1 1 138 138 LYS CB C 138 33.087 33.087 33.541 -0.454 19687 501 1 . 1 1 138 138 LYS H H 138 8.963 8.963 8.134 0.829 19687 502 1 . 1 1 139 139 GLU N N 139 120.229 120.229 118.545 1.684 19687 503 1 . 1 1 139 139 GLU HA H 139 4.173 4.173 4.426 -0.253 19687 504 1 . 1 1 139 139 GLU CA C 139 56.264 56.264 54.534 1.730 19687 505 1 . 1 1 139 139 GLU CB C 139 31.206 31.206 31.285 -0.079 19687 506 1 . 1 1 139 139 GLU H H 139 8.011 8.011 7.565 0.446 19687 507 1 . 1 1 140 140 GLU N N 140 123.311 123.311 124.881 -1.570 19687 508 1 . 1 1 140 140 GLU HA H 140 4.218 4.218 3.980 0.238 19687 509 1 . 1 1 140 140 GLU CA C 140 57.686 57.686 57.643 0.043 19687 510 1 . 1 1 140 140 GLU CB C 140 30.504 30.504 30.131 0.373 19687 511 1 . 1 1 140 140 GLU H H 140 8.811 8.811 8.588 0.222 19687 512 1 . 1 1 141 141 LEU N N 141 121.782 121.782 117.939 3.843 19687 513 1 . 1 1 141 141 LEU HA H 141 4.452 4.452 4.793 -0.341 19687 514 1 . 1 1 141 141 LEU CA C 141 55.216 55.216 53.508 1.708 19687 515 1 . 1 1 141 141 LEU CB C 141 43.211 43.211 43.414 -0.203 19687 516 1 . 1 1 141 141 LEU H H 141 9.291 9.291 8.066 1.225 19687 517 1 . 1 1 142 142 GLY N N 142 125.924 125.924 106.843 19.081 19687 518 1 . 1 1 142 142 GLY CA C 142 44.571 44.571 44.801 -0.231 19687 519 1 . 1 1 142 142 GLY H H 142 7.060 7.060 8.397 -1.337 19687 520 1 . 1 1 143 143 ASN N N 143 117.181 117.181 119.550 -2.369 19687 521 1 . 1 1 143 143 ASN HA H 143 5.902 5.902 4.827 1.075 19687 522 1 . 1 1 143 143 ASN CA C 143 52.908 52.908 54.071 -1.163 19687 523 1 . 1 1 143 143 ASN CB C 143 40.333 40.333 39.028 1.305 19687 524 1 . 1 1 143 143 ASN H H 143 8.472 8.472 8.364 0.108 19687 525 1 . 1 1 144 144 MET N N 144 117.970 117.970 120.559 -2.589 19687 526 1 . 1 1 144 144 MET HA H 144 4.747 4.747 4.855 -0.108 19687 527 1 . 1 1 144 144 MET CA C 144 56.085 56.085 54.338 1.747 19687 528 1 . 1 1 144 144 MET CB C 144 36.425 36.425 35.912 0.513 19687 529 1 . 1 1 144 144 MET H H 144 9.270 9.270 8.160 1.110 19687 530 1 . 1 1 145 145 ARG N N 145 125.032 125.032 120.570 4.462 19687 531 1 . 1 1 145 145 ARG HA H 145 4.275 4.275 3.967 0.308 19687 532 1 . 1 1 145 145 ARG CA C 145 58.881 58.881 58.392 0.489 19687 533 1 . 1 1 145 145 ARG CB C 145 31.307 31.307 30.484 0.823 19687 534 1 . 1 1 145 145 ARG H H 145 9.085 9.085 8.626 0.459 19687 535 1 . 1 1 146 146 GLN N N 146 112.668 112.668 116.559 -3.891 19687 536 1 . 1 1 146 146 GLN HA H 146 4.904 4.904 4.204 0.700 19687 537 1 . 1 1 146 146 GLN CA C 146 54.355 54.355 54.444 -0.089 19687 538 1 . 1 1 146 146 GLN CB C 146 31.933 31.933 31.286 0.647 19687 539 1 . 1 1 146 146 GLN H H 146 7.599 7.599 7.617 -0.018 19687 540 1 . 1 1 147 147 LEU N N 147 122.152 122.152 126.870 -4.718 19687 541 1 . 1 1 147 147 LEU HA H 147 4.023 4.023 4.158 -0.135 19687 542 1 . 1 1 147 147 LEU CA C 147 53.221 53.221 55.324 -2.103 19687 543 1 . 1 1 147 147 LEU CB C 147 43.702 43.702 42.378 1.324 19687 544 1 . 1 1 147 147 LEU H H 147 8.130 8.130 8.273 -0.143 19687 545 1 . 1 1 148 148 ASP N N 148 124.520 124.520 126.609 -2.089 19687 546 1 . 1 1 148 148 ASP HA H 148 3.921 3.921 4.519 -0.598 19687 547 1 . 1 1 148 148 ASP CA C 148 53.321 53.321 52.990 0.331 19687 548 1 . 1 1 148 148 ASP CB C 148 41.456 41.456 41.259 0.197 19687 549 1 . 1 1 148 148 ASP H H 148 8.008 8.008 8.185 -0.177 19687 550 1 . 1 1 149 149 LEU N N 149 124.941 124.941 122.371 2.570 19687 551 1 . 1 1 149 149 LEU HA H 149 3.913 3.913 4.533 -0.620 19687 552 1 . 1 1 149 149 LEU CA C 149 54.188 54.188 53.079 1.109 19687 553 1 . 1 1 149 149 LEU CB C 149 42.298 42.298 40.790 1.508 19687 554 1 . 1 1 149 149 LEU H H 149 8.790 8.790 8.060 0.730 19687 555 1 . 1 1 150 150 GLY N N 150 108.901 108.901 106.196 2.705 19687 556 1 . 1 1 150 150 GLY CA C 150 44.530 44.530 45.567 -1.037 19687 557 1 . 1 1 150 150 GLY H H 150 8.744 8.744 7.106 1.638 19687 558 1 . 1 1 151 151 ALA N N 151 118.338 118.338 120.258 -1.920 19687 559 1 . 1 1 151 151 ALA HA H 151 4.234 4.234 4.638 -0.404 19687 560 1 . 1 1 151 151 ALA CA C 151 52.370 52.370 49.339 3.031 19687 561 1 . 1 1 151 151 ALA CB C 151 19.150 19.150 21.989 -2.839 19687 562 1 . 1 1 151 151 ALA H H 151 8.167 8.167 7.919 0.248 19687 563 1 . 1 1 152 152 ILE N N 152 121.825 121.825 120.943 0.882 19687 564 1 . 1 1 152 152 ILE HA H 152 2.910 2.910 3.908 -0.998 19687 565 1 . 1 1 152 152 ILE CA C 152 65.565 65.565 64.729 0.836 19687 566 1 . 1 1 152 152 ILE CB C 152 39.588 39.588 38.770 0.818 19687 567 1 . 1 1 152 152 ILE H H 152 8.269 8.269 8.075 0.194 19687 568 1 . 1 1 153 153 TYR N N 153 109.544 109.544 117.238 -7.694 19687 569 1 . 1 1 153 153 TYR HA H 153 4.119 4.119 4.480 -0.361 19687 570 1 . 1 1 153 153 TYR CA C 153 59.598 59.598 58.551 1.047 19687 571 1 . 1 1 153 153 TYR CB C 153 37.358 37.358 38.339 -0.981 19687 572 1 . 1 1 153 153 TYR H H 153 6.757 6.757 7.699 -0.942 19687 573 1 . 1 1 154 154 ASP N N 154 117.255 117.255 121.291 -4.036 19687 574 1 . 1 1 154 154 ASP HA H 154 4.704 4.704 4.622 0.082 19687 575 1 . 1 1 154 154 ASP CA C 154 54.897 54.897 51.893 3.004 19687 576 1 . 1 1 154 154 ASP CB C 154 40.733 40.733 39.831 0.902 19687 577 1 . 1 1 154 154 ASP H H 154 7.092 7.092 7.268 -0.176 19687 578 1 . 1 1 155 155 ASP N N 155 115.759 115.759 120.760 -5.001 19687 579 1 . 1 1 155 155 ASP HA H 155 4.233 4.233 4.667 -0.434 19687 580 1 . 1 1 155 155 ASP CA C 155 55.500 55.500 53.735 1.765 19687 581 1 . 1 1 155 155 ASP CB C 155 39.467 39.467 40.153 -0.686 19687 582 1 . 1 1 155 155 ASP H H 155 7.855 7.855 7.598 0.257 19687 583 1 . 1 1 156 156 PRO HA H 156 4.151 4.151 4.350 -0.199 19687 584 1 . 1 1 156 156 PRO CA C 156 64.485 64.485 63.724 0.761 19687 585 1 . 1 1 156 156 PRO CB C 156 31.692 31.692 32.375 -0.683 19687 586 1 . 1 1 157 157 ARG N N 157 115.980 115.980 117.952 -1.972 19687 587 1 . 1 1 157 157 ARG HA H 157 5.141 5.141 4.236 0.905 19687 588 1 . 1 1 157 157 ARG CA C 157 54.793 54.793 56.781 -1.988 19687 589 1 . 1 1 157 157 ARG CB C 157 34.607 34.607 29.954 4.653 19687 590 1 . 1 1 157 157 ARG H H 157 7.888 7.888 8.458 -0.570 19687 591 1 . 1 1 158 158 GLY N N 158 106.901 106.901 105.455 1.446 19687 592 1 . 1 1 158 158 GLY CA C 158 45.611 45.611 44.278 1.334 19687 593 1 . 1 1 158 158 GLY H H 158 8.344 8.344 7.628 0.717 19687 594 1 . 1 1 159 159 THR N N 159 116.699 116.699 116.666 0.033 19687 595 1 . 1 1 159 159 THR CA C 159 63.319 63.319 62.065 1.254 19687 596 1 . 1 1 159 159 THR CB C 159 69.870 69.870 69.519 0.351 19687 597 1 . 1 1 159 159 THR H H 159 8.228 8.228 8.101 0.127 19687 598 1 . 1 1 160 160 TYR N N 160 123.979 123.979 124.665 -0.686 19687 599 1 . 1 1 160 160 TYR HA H 160 5.354 5.354 5.074 0.280 19687 600 1 . 1 1 160 160 TYR CA C 160 57.629 57.629 55.127 2.502 19687 601 1 . 1 1 160 160 TYR CB C 160 43.854 43.854 41.470 2.384 19687 602 1 . 1 1 160 160 TYR H H 160 8.782 8.782 8.313 0.469 19687 603 1 . 1 1 161 161 THR N N 161 115.752 115.752 115.590 0.162 19687 604 1 . 1 1 161 161 THR HA H 161 5.509 5.509 5.125 0.384 19687 605 1 . 1 1 161 161 THR CA C 161 61.354 61.354 61.934 -0.580 19687 606 1 . 1 1 161 161 THR CB C 161 73.921 73.921 70.742 3.179 19687 607 1 . 1 1 161 161 THR H H 161 9.096 9.096 9.018 0.078 19687 608 1 . 1 1 162 162 CYS N N 162 119.476 119.476 126.222 -6.747 19687 609 1 . 1 1 162 162 CYS HA H 162 4.533 4.533 5.175 -0.642 19687 610 1 . 1 1 162 162 CYS CA C 162 52.737 52.737 57.633 -4.896 19687 611 1 . 1 1 162 162 CYS CB C 162 43.843 43.843 29.887 13.956 19687 612 1 . 1 1 162 162 CYS H H 162 8.580 8.580 9.076 -0.496 19687 613 1 . 1 1 163 163 GLN N N 163 120.977 120.977 123.474 -2.497 19687 614 1 . 1 1 163 163 GLN HA H 163 4.948 4.948 4.590 0.358 19687 615 1 . 1 1 163 163 GLN CA C 163 55.216 55.216 55.331 -0.115 19687 616 1 . 1 1 163 163 GLN CB C 163 33.242 33.242 32.711 0.531 19687 617 1 . 1 1 163 163 GLN H H 163 9.218 9.218 8.338 0.880 19687 618 1 . 1 1 164 164 ARG N N 164 123.963 123.963 120.244 3.719 19687 619 1 . 1 1 164 164 ARG HA H 164 4.218 4.218 4.397 -0.179 19687 620 1 . 1 1 164 164 ARG CA C 164 57.103 57.103 57.086 0.017 19687 621 1 . 1 1 164 164 ARG CB C 164 32.737 32.737 30.218 2.519 19687 622 1 . 1 1 164 164 ARG H H 164 8.546 8.546 8.460 0.086 19687 623 1 . 1 1 165 165 ASP N N 165 115.195 115.195 117.342 -2.147 19687 624 1 . 1 1 165 165 ASP HA H 165 4.669 4.669 4.744 -0.075 19687 625 1 . 1 1 165 165 ASP CA C 165 53.932 53.932 52.405 1.526 19687 626 1 . 1 1 165 165 ASP CB C 165 41.643 41.643 43.189 -1.546 19687 627 1 . 1 1 165 165 ASP H H 165 8.040 8.040 7.564 0.476 19687 628 1 . 1 1 166 166 GLU N N 166 113.922 113.922 119.474 -5.552 19687 629 1 . 1 1 166 166 GLU HA H 166 3.749 3.749 4.035 -0.286 19687 630 1 . 1 1 166 166 GLU CA C 166 59.194 59.194 58.900 0.294 19687 631 1 . 1 1 166 166 GLU CB C 166 29.486 29.486 29.762 -0.276 19687 632 1 . 1 1 166 166 GLU H H 166 8.745 8.745 8.738 0.007 19687 633 1 . 1 1 167 167 ASN N N 167 113.556 113.556 117.227 -3.671 19687 634 1 . 1 1 167 167 ASN HA H 167 4.600 4.600 4.697 -0.097 19687 635 1 . 1 1 167 167 ASN CA C 167 54.283 54.283 52.603 1.680 19687 636 1 . 1 1 167 167 ASN CB C 167 40.577 40.577 37.276 3.301 19687 637 1 . 1 1 167 167 ASN H H 167 8.540 8.540 8.287 0.253 19687 638 1 . 1 1 168 168 VAL N N 168 120.903 120.903 115.408 5.495 19687 639 1 . 1 1 168 168 VAL HA H 168 3.942 3.942 3.794 0.148 19687 640 1 . 1 1 168 168 VAL CA C 168 63.171 63.171 63.686 -0.514 19687 641 1 . 1 1 168 168 VAL CB C 168 32.901 32.901 31.819 1.082 19687 642 1 . 1 1 168 168 VAL H H 168 7.818 7.818 7.566 0.252 19687 643 1 . 1 1 169 169 ASN N N 169 120.789 120.789 121.574 -0.785 19687 644 1 . 1 1 169 169 ASN HA H 169 4.963 4.963 4.670 0.293 19687 645 1 . 1 1 169 169 ASN CA C 169 52.727 52.727 53.502 -0.775 19687 646 1 . 1 1 169 169 ASN CB C 169 42.240 42.240 40.427 1.813 19687 647 1 . 1 1 169 169 ASN H H 169 8.104 8.104 8.841 -0.737 19687 648 1 . 1 1 170 170 SER N N 170 111.999 111.999 117.505 -5.506 19687 649 1 . 1 1 170 170 SER HA H 170 4.505 4.505 4.515 -0.010 19687 650 1 . 1 1 170 170 SER CA C 170 59.066 59.066 59.088 -0.022 19687 651 1 . 1 1 170 170 SER CB C 170 65.677 65.677 62.994 2.683 19687 652 1 . 1 1 170 170 SER H H 170 8.104 8.104 8.080 0.024 19687 653 1 . 1 1 171 171 THR N N 171 121.052 121.052 124.263 -3.211 19687 654 1 . 1 1 171 171 THR HA H 171 5.430 5.430 4.537 0.893 19687 655 1 . 1 1 171 171 THR CA C 171 62.194 62.194 62.598 -0.404 19687 656 1 . 1 1 171 171 THR CB C 171 72.220 72.220 68.933 3.287 19687 657 1 . 1 1 171 171 THR H H 171 8.397 8.397 8.261 0.136 19687 658 1 . 1 1 172 172 LEU N N 172 130.063 130.063 129.386 0.677 19687 659 1 . 1 1 172 172 LEU HA H 172 4.718 4.718 4.745 -0.027 19687 660 1 . 1 1 172 172 LEU CA C 172 54.832 54.832 53.482 1.350 19687 661 1 . 1 1 172 172 LEU CB C 172 48.599 48.599 43.094 5.505 19687 662 1 . 1 1 172 172 LEU H H 172 9.515 9.515 9.022 0.493 19687 663 1 . 1 1 173 173 HIS CB C 173 27.207 27.207 32.165 -4.959 19687 664 1 . 1 1 176 176 TYR N N 176 130.457 130.457 118.843 11.614 19687 665 1 . 1 1 176 176 TYR HA H 176 4.886 4.886 5.084 -0.198 19687 666 1 . 1 1 176 176 TYR CA C 176 57.628 57.628 55.921 1.707 19687 667 1 . 1 1 176 176 TYR CB C 176 40.201 40.201 40.364 -0.163 19687 668 1 . 1 1 176 176 TYR H H 176 7.851 7.851 7.949 -0.098 19687 669 1 . 1 1 177 177 ARG N N 177 123.397 123.397 122.910 0.487 19687 670 1 . 1 1 177 177 ARG HA H 177 4.211 4.211 4.476 -0.265 19687 671 1 . 1 1 177 177 ARG CA C 177 55.855 55.855 55.932 -0.077 19687 672 1 . 1 1 177 177 ARG CB C 177 31.076 31.076 31.738 -0.662 19687 673 1 . 1 1 177 177 ARG H H 177 8.591 8.591 8.742 -0.151 19687 stop_ save_