data_25423 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25423 _Entry.PDB_ID 2MXP 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 25423 _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 50 50 MET N N 50 120.051 120.051 119.444 0.607 25423 2 1 1 . 1 1 50 50 MET HA H 50 4.354 4.354 4.626 -0.272 25423 3 1 1 . 1 1 50 50 MET CA C 50 55.149 55.149 55.027 0.122 25423 4 1 1 . 1 1 50 50 MET CB C 50 32.514 32.514 33.164 -0.651 25423 5 1 1 . 1 1 50 50 MET H H 50 7.944 7.944 8.548 -0.604 25423 6 1 1 . 1 1 51 51 GLN N N 51 122.311 122.311 120.365 1.946 25423 7 1 1 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.191 0.323 25423 8 1 1 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.548 -2.245 25423 9 1 1 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.364 0.418 25423 10 1 1 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.312 -0.005 25423 11 1 1 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.623 -1.142 25423 12 1 1 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.367 0.483 25423 13 1 1 . 1 1 53 53 LEU N N 53 121.833 121.833 122.885 -1.052 25423 14 1 1 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.366 -0.215 25423 15 1 1 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.579 0.353 25423 16 1 1 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.398 -0.424 25423 17 1 1 . 1 1 54 54 CYS N N 54 115.819 115.819 113.364 2.455 25423 18 1 1 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.328 0.067 25423 19 1 1 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.076 -0.894 25423 20 1 1 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.801 1.068 25423 21 1 1 . 1 1 54 54 CYS H H 54 7.719 7.719 7.361 0.358 25423 22 1 1 . 1 1 55 55 PHE N N 55 119.044 119.044 120.867 -1.823 25423 23 1 1 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.362 0.136 25423 24 1 1 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.311 -0.621 25423 25 1 1 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.250 -0.269 25423 26 1 1 . 1 1 55 55 PHE H H 55 8.790 8.790 8.568 0.222 25423 27 1 1 . 1 1 56 56 ASN N N 56 119.254 119.254 117.610 1.644 25423 28 1 1 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.914 0.421 25423 29 1 1 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.287 -0.040 25423 30 1 1 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.704 0.599 25423 31 1 1 . 1 1 57 57 CYS N N 57 127.439 127.439 122.679 4.760 25423 32 1 1 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.165 -0.260 25423 33 1 1 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.447 0.969 25423 34 1 1 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.937 1.850 25423 35 1 1 . 1 1 57 57 CYS H H 57 9.404 9.404 8.859 0.545 25423 36 1 1 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.435 0.139 25423 37 1 1 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.029 -1.233 25423 38 1 1 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.708 0.204 25423 39 1 1 . 1 1 59 59 ILE N N 59 122.515 122.515 119.061 3.454 25423 40 1 1 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.863 0.056 25423 41 1 1 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.392 -1.308 25423 42 1 1 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.881 0.668 25423 43 1 1 . 1 1 60 60 CYS N N 60 119.620 119.620 113.495 6.125 25423 44 1 1 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.789 0.334 25423 45 1 1 . 1 1 60 60 CYS CA C 60 57.924 57.924 57.749 0.175 25423 46 1 1 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.273 1.583 25423 47 1 1 . 1 1 60 60 CYS H H 60 8.450 8.450 7.760 0.690 25423 48 1 1 . 1 1 61 61 ASP N N 61 119.453 119.453 121.139 -1.686 25423 49 1 1 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.471 0.203 25423 50 1 1 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.526 0.372 25423 51 1 1 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.680 0.769 25423 52 1 1 . 1 1 61 61 ASP H H 61 8.069 8.069 8.682 -0.613 25423 53 1 1 . 1 1 62 62 LYS N N 62 122.865 122.865 120.036 2.829 25423 54 1 1 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.150 -0.149 25423 55 1 1 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.837 2.307 25423 56 1 1 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.374 1.497 25423 57 1 1 . 1 1 62 62 LYS H H 62 8.126 8.126 7.548 0.578 25423 58 1 1 . 1 1 63 63 ILE N N 63 123.398 123.398 126.399 -3.001 25423 59 1 1 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.599 0.245 25423 60 1 1 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.800 0.056 25423 61 1 1 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.876 0.033 25423 62 1 1 . 1 1 64 64 PHE N N 64 124.921 124.921 122.827 2.094 25423 63 1 1 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.045 -0.180 25423 64 1 1 . 1 1 64 64 PHE CA C 64 54.269 54.269 54.875 -0.606 25423 65 1 1 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.439 1.954 25423 66 1 1 . 1 1 64 64 PHE H H 64 9.054 9.054 9.035 0.019 25423 67 1 1 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.364 0.247 25423 68 1 1 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.637 -0.587 25423 69 1 1 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.032 0.593 25423 70 1 1 . 1 1 66 66 ALA N N 66 121.923 121.923 122.844 -0.921 25423 71 1 1 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.235 0.544 25423 72 1 1 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.623 -0.761 25423 73 1 1 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.573 -0.429 25423 74 1 1 . 1 1 66 66 ALA H H 66 8.271 8.271 7.938 0.333 25423 75 1 1 . 1 1 67 67 THR N N 67 104.076 104.076 108.718 -4.642 25423 76 1 1 . 1 1 67 67 THR HA H 67 4.232 4.232 4.127 0.105 25423 77 1 1 . 1 1 67 67 THR CA C 67 61.824 61.824 63.082 -1.258 25423 78 1 1 . 1 1 67 67 THR CB C 67 68.103 68.103 68.534 -0.431 25423 79 1 1 . 1 1 68 68 GLU N N 68 122.788 122.788 121.303 1.485 25423 80 1 1 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.441 0.482 25423 81 1 1 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.685 -1.348 25423 82 1 1 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.356 -1.069 25423 83 1 1 . 1 1 68 68 GLU H H 68 7.879 7.879 7.560 0.319 25423 84 1 1 . 1 1 69 69 LYS N N 69 121.136 121.136 120.104 1.032 25423 85 1 1 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.339 -0.905 25423 86 1 1 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.913 0.497 25423 87 1 1 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.553 0.747 25423 88 1 1 . 1 1 69 69 LYS H H 69 7.627 7.627 7.958 -0.331 25423 89 1 1 . 1 1 70 70 GLN N N 70 117.013 117.013 118.722 -1.709 25423 90 1 1 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.141 -0.223 25423 91 1 1 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.078 -0.415 25423 92 1 1 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.637 -0.884 25423 93 1 1 . 1 1 71 71 ILE N N 71 119.588 119.588 120.084 -0.496 25423 94 1 1 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.735 0.020 25423 95 1 1 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.062 -0.217 25423 96 1 1 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.762 -0.125 25423 97 1 1 . 1 1 72 72 PHE N N 72 122.393 122.393 121.886 0.507 25423 98 1 1 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.795 -0.828 25423 99 1 1 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.616 -1.180 25423 100 1 1 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.049 -1.643 25423 101 1 1 . 1 1 72 72 PHE H H 72 8.043 8.043 8.654 -0.611 25423 102 1 1 . 1 1 73 73 GLU N N 73 119.350 119.350 118.480 0.870 25423 103 1 1 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.736 -0.501 25423 104 1 1 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.098 0.278 25423 105 1 1 . 1 1 73 73 GLU CB C 73 28.469 28.469 28.688 -0.219 25423 106 1 1 . 1 1 73 73 GLU H H 73 8.307 8.307 8.049 0.258 25423 107 1 1 . 1 1 74 74 ASP N N 74 120.085 120.085 120.502 -0.417 25423 108 1 1 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.332 0.036 25423 109 1 1 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.825 -0.936 25423 110 1 1 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.892 -0.681 25423 111 1 1 . 1 1 74 74 ASP H H 74 8.130 8.130 7.809 0.321 25423 112 1 1 . 1 1 75 75 HIS N N 75 120.712 120.712 120.037 0.675 25423 113 1 1 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.291 -0.303 25423 114 1 1 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.889 -0.160 25423 115 1 1 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.262 -2.982 25423 116 1 1 . 1 1 75 75 HIS H H 75 8.037 8.037 8.223 -0.186 25423 117 1 1 . 1 1 76 76 VAL N N 76 119.276 119.276 119.415 -0.139 25423 118 1 1 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.989 -0.551 25423 119 1 1 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.892 0.151 25423 120 1 1 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.556 0.092 25423 121 1 1 . 1 1 77 77 PHE N N 77 120.883 120.883 118.875 2.008 25423 122 1 1 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.142 0.042 25423 123 1 1 . 1 1 77 77 PHE CA C 77 60.538 60.538 62.095 -1.557 25423 124 1 1 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.741 -0.125 25423 125 1 1 . 1 1 77 77 PHE H H 77 7.950 7.950 8.041 -0.091 25423 126 1 1 . 1 1 78 78 CYS N N 78 116.956 116.956 117.534 -0.578 25423 127 1 1 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.951 -0.021 25423 128 1 1 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.839 -0.464 25423 129 1 1 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.377 -1.282 25423 130 1 1 . 1 1 78 78 CYS H H 78 8.017 8.017 7.654 0.363 25423 131 1 1 . 1 1 79 79 HIS N N 79 117.041 117.041 118.520 -1.479 25423 132 1 1 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.364 0.023 25423 133 1 1 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.766 -0.856 25423 134 1 1 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.380 -0.905 25423 135 1 1 . 1 1 79 79 HIS H H 79 7.229 7.229 7.650 -0.421 25423 136 1 1 . 1 1 80 80 SER N N 80 114.684 114.684 113.976 0.708 25423 137 1 1 . 1 1 80 80 SER HA H 80 4.343 4.343 4.321 0.022 25423 138 1 1 . 1 1 80 80 SER CA C 80 58.448 58.448 59.561 -1.113 25423 139 1 1 . 1 1 80 80 SER CB C 80 63.471 63.471 63.422 0.049 25423 140 1 1 . 1 1 80 80 SER H H 80 7.902 7.902 7.710 0.192 25423 141 1 2 . 1 1 50 50 MET N N 50 120.051 120.051 120.420 -0.369 25423 142 1 2 . 1 1 50 50 MET HA H 50 4.354 4.354 4.298 0.057 25423 143 1 2 . 1 1 50 50 MET CA C 50 55.149 55.149 56.295 -1.146 25423 144 1 2 . 1 1 50 50 MET CB C 50 32.514 32.514 32.522 -0.008 25423 145 1 2 . 1 1 50 50 MET H H 50 7.944 7.944 8.178 -0.234 25423 146 1 2 . 1 1 51 51 GLN N N 51 122.311 122.311 119.869 2.442 25423 147 1 2 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.733 -0.219 25423 148 1 2 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.118 -0.815 25423 149 1 2 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.288 -0.506 25423 150 1 2 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.380 -0.072 25423 151 1 2 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.651 -0.170 25423 152 1 2 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.269 -0.419 25423 153 1 2 . 1 1 53 53 LEU N N 53 121.833 121.833 119.762 2.071 25423 154 1 2 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.530 -0.379 25423 155 1 2 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.682 0.250 25423 156 1 2 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.883 0.091 25423 157 1 2 . 1 1 54 54 CYS N N 54 115.819 115.819 112.768 3.051 25423 158 1 2 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.513 -0.118 25423 159 1 2 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.607 -1.425 25423 160 1 2 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.825 0.044 25423 161 1 2 . 1 1 54 54 CYS H H 54 7.719 7.719 7.265 0.454 25423 162 1 2 . 1 1 55 55 PHE N N 55 119.044 119.044 120.719 -1.675 25423 163 1 2 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.390 0.108 25423 164 1 2 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.683 -0.993 25423 165 1 2 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.940 -0.959 25423 166 1 2 . 1 1 55 55 PHE H H 55 8.790 8.790 9.004 -0.214 25423 167 1 2 . 1 1 56 56 ASN N N 56 119.254 119.254 119.818 -0.564 25423 168 1 2 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.257 0.078 25423 169 1 2 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.834 -0.587 25423 170 1 2 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.884 0.419 25423 171 1 2 . 1 1 57 57 CYS N N 57 127.439 127.439 124.583 2.856 25423 172 1 2 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.161 -0.256 25423 173 1 2 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.757 0.659 25423 174 1 2 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.771 2.016 25423 175 1 2 . 1 1 57 57 CYS H H 57 9.404 9.404 8.694 0.710 25423 176 1 2 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.421 0.153 25423 177 1 2 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.673 -0.877 25423 178 1 2 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.809 0.103 25423 179 1 2 . 1 1 59 59 ILE N N 59 122.515 122.515 119.054 3.461 25423 180 1 2 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.824 0.095 25423 181 1 2 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.492 -1.408 25423 182 1 2 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.895 0.654 25423 183 1 2 . 1 1 60 60 CYS N N 60 119.620 119.620 114.189 5.431 25423 184 1 2 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.766 0.357 25423 185 1 2 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.289 -0.365 25423 186 1 2 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.830 2.026 25423 187 1 2 . 1 1 60 60 CYS H H 60 8.450 8.450 7.824 0.626 25423 188 1 2 . 1 1 61 61 ASP N N 61 119.453 119.453 119.730 -0.277 25423 189 1 2 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.440 0.234 25423 190 1 2 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.270 0.628 25423 191 1 2 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.308 1.141 25423 192 1 2 . 1 1 61 61 ASP H H 61 8.069 8.069 8.586 -0.517 25423 193 1 2 . 1 1 62 62 LYS N N 62 122.865 122.865 118.991 3.874 25423 194 1 2 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.291 -0.290 25423 195 1 2 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.357 1.787 25423 196 1 2 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.243 0.628 25423 197 1 2 . 1 1 62 62 LYS H H 62 8.126 8.126 7.722 0.404 25423 198 1 2 . 1 1 63 63 ILE N N 63 123.398 123.398 120.085 3.313 25423 199 1 2 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.593 0.251 25423 200 1 2 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.531 -0.676 25423 201 1 2 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.959 -1.050 25423 202 1 2 . 1 1 64 64 PHE N N 64 124.921 124.921 122.889 2.032 25423 203 1 2 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.014 -0.149 25423 204 1 2 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.666 -1.397 25423 205 1 2 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.898 -1.505 25423 206 1 2 . 1 1 64 64 PHE H H 64 9.054 9.054 9.042 0.012 25423 207 1 2 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.536 0.075 25423 208 1 2 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.604 -0.554 25423 209 1 2 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.208 0.417 25423 210 1 2 . 1 1 66 66 ALA N N 66 121.923 121.923 124.791 -2.868 25423 211 1 2 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.004 -0.225 25423 212 1 2 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.235 -1.373 25423 213 1 2 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.679 -0.535 25423 214 1 2 . 1 1 66 66 ALA H H 66 8.271 8.271 8.382 -0.111 25423 215 1 2 . 1 1 67 67 THR N N 67 104.076 104.076 108.855 -4.779 25423 216 1 2 . 1 1 67 67 THR HA H 67 4.232 4.232 4.221 0.011 25423 217 1 2 . 1 1 67 67 THR CA C 67 61.824 61.824 64.070 -2.245 25423 218 1 2 . 1 1 67 67 THR CB C 67 68.103 68.103 68.757 -0.654 25423 219 1 2 . 1 1 68 68 GLU N N 68 122.788 122.788 121.566 1.222 25423 220 1 2 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.648 0.275 25423 221 1 2 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.491 -1.154 25423 222 1 2 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.491 -1.204 25423 223 1 2 . 1 1 68 68 GLU H H 68 7.879 7.879 8.401 -0.522 25423 224 1 2 . 1 1 69 69 LYS N N 69 121.136 121.136 119.371 1.765 25423 225 1 2 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.044 -0.610 25423 226 1 2 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.833 0.577 25423 227 1 2 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.924 0.376 25423 228 1 2 . 1 1 69 69 LYS H H 69 7.627 7.627 7.666 -0.039 25423 229 1 2 . 1 1 70 70 GLN N N 70 117.013 117.013 119.191 -2.178 25423 230 1 2 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.151 -0.233 25423 231 1 2 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.424 0.239 25423 232 1 2 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.177 -0.424 25423 233 1 2 . 1 1 71 71 ILE N N 71 119.588 119.588 120.109 -0.521 25423 234 1 2 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.664 0.091 25423 235 1 2 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.163 -0.318 25423 236 1 2 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.502 0.135 25423 237 1 2 . 1 1 72 72 PHE N N 72 122.393 122.393 121.541 0.852 25423 238 1 2 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.622 -0.655 25423 239 1 2 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.991 -1.555 25423 240 1 2 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.031 -1.625 25423 241 1 2 . 1 1 72 72 PHE H H 72 8.043 8.043 7.908 0.135 25423 242 1 2 . 1 1 73 73 GLU N N 73 119.350 119.350 118.577 0.773 25423 243 1 2 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.676 -0.441 25423 244 1 2 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.540 -0.164 25423 245 1 2 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.276 -0.807 25423 246 1 2 . 1 1 73 73 GLU H H 73 8.307 8.307 7.830 0.477 25423 247 1 2 . 1 1 74 74 ASP N N 74 120.085 120.085 119.917 0.168 25423 248 1 2 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.491 -0.123 25423 249 1 2 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.855 -0.966 25423 250 1 2 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.973 -0.762 25423 251 1 2 . 1 1 74 74 ASP H H 74 8.130 8.130 7.864 0.266 25423 252 1 2 . 1 1 75 75 HIS N N 75 120.712 120.712 120.097 0.615 25423 253 1 2 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.222 -0.234 25423 254 1 2 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.843 -0.114 25423 255 1 2 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.105 -2.825 25423 256 1 2 . 1 1 75 75 HIS H H 75 8.037 8.037 8.177 -0.140 25423 257 1 2 . 1 1 76 76 VAL N N 76 119.276 119.276 118.860 0.416 25423 258 1 2 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.951 -0.513 25423 259 1 2 . 1 1 76 76 VAL CA C 76 67.043 67.043 65.525 1.518 25423 260 1 2 . 1 1 76 76 VAL CB C 76 31.648 31.648 30.710 0.938 25423 261 1 2 . 1 1 77 77 PHE N N 77 120.883 120.883 119.598 1.285 25423 262 1 2 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.160 0.024 25423 263 1 2 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.453 -0.916 25423 264 1 2 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.588 0.028 25423 265 1 2 . 1 1 77 77 PHE H H 77 7.950 7.950 7.854 0.096 25423 266 1 2 . 1 1 78 78 CYS N N 78 116.956 116.956 117.362 -0.406 25423 267 1 2 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.024 -0.094 25423 268 1 2 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.809 -0.434 25423 269 1 2 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.767 -1.672 25423 270 1 2 . 1 1 78 78 CYS H H 78 8.017 8.017 7.738 0.279 25423 271 1 2 . 1 1 79 79 HIS N N 79 117.041 117.041 118.565 -1.524 25423 272 1 2 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.370 0.017 25423 273 1 2 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.815 -0.905 25423 274 1 2 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.305 -0.831 25423 275 1 2 . 1 1 79 79 HIS H H 79 7.229 7.229 7.652 -0.423 25423 276 1 2 . 1 1 80 80 SER N N 80 114.684 114.684 114.123 0.561 25423 277 1 2 . 1 1 80 80 SER HA H 80 4.343 4.343 4.338 0.005 25423 278 1 2 . 1 1 80 80 SER CA C 80 58.448 58.448 59.869 -1.421 25423 279 1 2 . 1 1 80 80 SER CB C 80 63.471 63.471 63.613 -0.142 25423 280 1 2 . 1 1 80 80 SER H H 80 7.902 7.902 7.760 0.142 25423 281 1 3 . 1 1 50 50 MET N N 50 120.051 120.051 117.668 2.383 25423 282 1 3 . 1 1 50 50 MET HA H 50 4.354 4.354 4.555 -0.201 25423 283 1 3 . 1 1 50 50 MET CA C 50 55.149 55.149 55.996 -0.847 25423 284 1 3 . 1 1 50 50 MET CB C 50 32.514 32.514 33.239 -0.725 25423 285 1 3 . 1 1 50 50 MET H H 50 7.944 7.944 7.933 0.011 25423 286 1 3 . 1 1 51 51 GLN N N 51 122.311 122.311 118.464 3.847 25423 287 1 3 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.477 0.037 25423 288 1 3 . 1 1 51 51 GLN CA C 51 53.303 53.303 56.872 -3.569 25423 289 1 3 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.061 -0.279 25423 290 1 3 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.130 0.177 25423 291 1 3 . 1 1 52 52 PRO CA C 52 62.481 62.481 64.208 -1.727 25423 292 1 3 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.979 -0.129 25423 293 1 3 . 1 1 53 53 LEU N N 53 121.833 121.833 117.014 4.819 25423 294 1 3 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.905 0.246 25423 295 1 3 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.729 -0.797 25423 296 1 3 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.254 0.720 25423 297 1 3 . 1 1 54 54 CYS N N 54 115.819 115.819 112.624 3.195 25423 298 1 3 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.605 -0.210 25423 299 1 3 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.096 -0.914 25423 300 1 3 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.645 1.224 25423 301 1 3 . 1 1 54 54 CYS H H 54 7.719 7.719 7.150 0.569 25423 302 1 3 . 1 1 55 55 PHE N N 55 119.044 119.044 115.939 3.105 25423 303 1 3 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.456 0.042 25423 304 1 3 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.452 -0.762 25423 305 1 3 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.175 -2.194 25423 306 1 3 . 1 1 55 55 PHE H H 55 8.790 8.790 8.656 0.134 25423 307 1 3 . 1 1 56 56 ASN N N 56 119.254 119.254 118.182 1.072 25423 308 1 3 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.150 0.185 25423 309 1 3 . 1 1 56 56 ASN CA C 56 51.247 51.247 53.057 -1.810 25423 310 1 3 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.978 -0.675 25423 311 1 3 . 1 1 57 57 CYS N N 57 127.439 127.439 125.913 1.526 25423 312 1 3 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.119 -0.214 25423 313 1 3 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.761 0.655 25423 314 1 3 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.735 2.052 25423 315 1 3 . 1 1 57 57 CYS H H 57 9.404 9.404 8.605 0.799 25423 316 1 3 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.454 0.120 25423 317 1 3 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.054 -1.258 25423 318 1 3 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.646 0.266 25423 319 1 3 . 1 1 59 59 ILE N N 59 122.515 122.515 119.679 2.836 25423 320 1 3 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.868 0.051 25423 321 1 3 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.369 -1.285 25423 322 1 3 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.827 0.722 25423 323 1 3 . 1 1 60 60 CYS N N 60 119.620 119.620 113.856 5.764 25423 324 1 3 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.828 0.295 25423 325 1 3 . 1 1 60 60 CYS CA C 60 57.924 57.924 57.457 0.467 25423 326 1 3 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.722 2.134 25423 327 1 3 . 1 1 60 60 CYS H H 60 8.450 8.450 7.791 0.659 25423 328 1 3 . 1 1 61 61 ASP N N 61 119.453 119.453 121.237 -1.784 25423 329 1 3 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.534 0.140 25423 330 1 3 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.631 0.267 25423 331 1 3 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.296 1.153 25423 332 1 3 . 1 1 61 61 ASP H H 61 8.069 8.069 8.599 -0.530 25423 333 1 3 . 1 1 62 62 LYS N N 62 122.865 122.865 118.923 3.942 25423 334 1 3 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.554 -0.553 25423 335 1 3 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.172 1.972 25423 336 1 3 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.182 -0.312 25423 337 1 3 . 1 1 62 62 LYS H H 62 8.126 8.126 7.708 0.418 25423 338 1 3 . 1 1 63 63 ILE N N 63 123.398 123.398 118.279 5.119 25423 339 1 3 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.684 0.160 25423 340 1 3 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.507 -0.652 25423 341 1 3 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.297 -1.389 25423 342 1 3 . 1 1 64 64 PHE N N 64 124.921 124.921 122.158 2.763 25423 343 1 3 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.970 -0.105 25423 344 1 3 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.609 -1.340 25423 345 1 3 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.523 -1.130 25423 346 1 3 . 1 1 64 64 PHE H H 64 9.054 9.054 8.548 0.506 25423 347 1 3 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.407 0.204 25423 348 1 3 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.815 -0.765 25423 349 1 3 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.076 0.549 25423 350 1 3 . 1 1 66 66 ALA N N 66 121.923 121.923 124.770 -2.847 25423 351 1 3 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.897 -0.118 25423 352 1 3 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.951 -1.089 25423 353 1 3 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.701 -0.557 25423 354 1 3 . 1 1 66 66 ALA H H 66 8.271 8.271 7.922 0.349 25423 355 1 3 . 1 1 67 67 THR N N 67 104.076 104.076 110.563 -6.487 25423 356 1 3 . 1 1 67 67 THR HA H 67 4.232 4.232 4.193 0.039 25423 357 1 3 . 1 1 67 67 THR CA C 67 61.824 61.824 64.481 -2.656 25423 358 1 3 . 1 1 67 67 THR CB C 67 68.103 68.103 68.670 -0.567 25423 359 1 3 . 1 1 68 68 GLU N N 68 122.788 122.788 121.362 1.426 25423 360 1 3 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.725 0.198 25423 361 1 3 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.162 -0.825 25423 362 1 3 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.855 -0.567 25423 363 1 3 . 1 1 68 68 GLU H H 68 7.879 7.879 8.043 -0.164 25423 364 1 3 . 1 1 69 69 LYS N N 69 121.136 121.136 119.920 1.216 25423 365 1 3 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.177 -0.743 25423 366 1 3 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.888 0.522 25423 367 1 3 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.843 0.457 25423 368 1 3 . 1 1 69 69 LYS H H 69 7.627 7.627 7.697 -0.070 25423 369 1 3 . 1 1 70 70 GLN N N 70 117.013 117.013 119.123 -2.110 25423 370 1 3 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.097 -0.179 25423 371 1 3 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.172 -0.509 25423 372 1 3 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.423 -0.670 25423 373 1 3 . 1 1 71 71 ILE N N 71 119.588 119.588 120.294 -0.706 25423 374 1 3 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.730 0.025 25423 375 1 3 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.353 -0.508 25423 376 1 3 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.748 -0.111 25423 377 1 3 . 1 1 72 72 PHE N N 72 122.393 122.393 121.870 0.523 25423 378 1 3 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.140 -0.173 25423 379 1 3 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.770 -1.333 25423 380 1 3 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.719 -1.313 25423 381 1 3 . 1 1 72 72 PHE H H 72 8.043 8.043 8.214 -0.171 25423 382 1 3 . 1 1 73 73 GLU N N 73 119.350 119.350 118.414 0.936 25423 383 1 3 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.698 -0.463 25423 384 1 3 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.227 0.149 25423 385 1 3 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.208 -0.739 25423 386 1 3 . 1 1 73 73 GLU H H 73 8.307 8.307 7.795 0.512 25423 387 1 3 . 1 1 74 74 ASP N N 74 120.085 120.085 120.119 -0.034 25423 388 1 3 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.313 0.055 25423 389 1 3 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.201 -0.312 25423 390 1 3 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.095 -0.884 25423 391 1 3 . 1 1 74 74 ASP H H 74 8.130 8.130 7.610 0.520 25423 392 1 3 . 1 1 75 75 HIS N N 75 120.712 120.712 120.236 0.476 25423 393 1 3 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.243 -0.255 25423 394 1 3 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.575 0.154 25423 395 1 3 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.968 -2.688 25423 396 1 3 . 1 1 75 75 HIS H H 75 8.037 8.037 8.159 -0.122 25423 397 1 3 . 1 1 76 76 VAL N N 76 119.276 119.276 118.773 0.503 25423 398 1 3 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.842 -0.404 25423 399 1 3 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.609 0.434 25423 400 1 3 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.311 0.337 25423 401 1 3 . 1 1 77 77 PHE N N 77 120.883 120.883 118.774 2.109 25423 402 1 3 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.150 0.034 25423 403 1 3 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.918 -1.380 25423 404 1 3 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.546 0.070 25423 405 1 3 . 1 1 77 77 PHE H H 77 7.950 7.950 7.998 -0.048 25423 406 1 3 . 1 1 78 78 CYS N N 78 116.956 116.956 117.462 -0.506 25423 407 1 3 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.946 -0.016 25423 408 1 3 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.968 -0.593 25423 409 1 3 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.367 -1.272 25423 410 1 3 . 1 1 78 78 CYS H H 78 8.017 8.017 7.721 0.296 25423 411 1 3 . 1 1 79 79 HIS N N 79 117.041 117.041 118.137 -1.096 25423 412 1 3 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.367 0.020 25423 413 1 3 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.678 -0.768 25423 414 1 3 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.314 -0.838 25423 415 1 3 . 1 1 79 79 HIS H H 79 7.229 7.229 7.695 -0.466 25423 416 1 3 . 1 1 80 80 SER N N 80 114.684 114.684 114.046 0.638 25423 417 1 3 . 1 1 80 80 SER HA H 80 4.343 4.343 4.277 0.066 25423 418 1 3 . 1 1 80 80 SER CA C 80 58.448 58.448 59.813 -1.365 25423 419 1 3 . 1 1 80 80 SER CB C 80 63.471 63.471 63.507 -0.035 25423 420 1 3 . 1 1 80 80 SER H H 80 7.902 7.902 7.674 0.228 25423 421 1 4 . 1 1 50 50 MET N N 50 120.051 120.051 121.472 -1.421 25423 422 1 4 . 1 1 50 50 MET HA H 50 4.354 4.354 4.290 0.064 25423 423 1 4 . 1 1 50 50 MET CA C 50 55.149 55.149 55.980 -0.831 25423 424 1 4 . 1 1 50 50 MET CB C 50 32.514 32.514 32.617 -0.103 25423 425 1 4 . 1 1 50 50 MET H H 50 7.944 7.944 8.300 -0.356 25423 426 1 4 . 1 1 51 51 GLN N N 51 122.311 122.311 118.906 3.405 25423 427 1 4 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.713 -0.199 25423 428 1 4 . 1 1 51 51 GLN CA C 51 53.303 53.303 53.862 -0.559 25423 429 1 4 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.349 -0.567 25423 430 1 4 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.391 -0.084 25423 431 1 4 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.246 -0.765 25423 432 1 4 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.996 -0.146 25423 433 1 4 . 1 1 53 53 LEU N N 53 121.833 121.833 119.872 1.961 25423 434 1 4 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.326 -0.175 25423 435 1 4 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.583 0.349 25423 436 1 4 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.555 0.419 25423 437 1 4 . 1 1 54 54 CYS N N 54 115.819 115.819 114.247 1.572 25423 438 1 4 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.339 0.056 25423 439 1 4 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.021 -0.839 25423 440 1 4 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.570 1.299 25423 441 1 4 . 1 1 54 54 CYS H H 54 7.719 7.719 6.971 0.748 25423 442 1 4 . 1 1 55 55 PHE N N 55 119.044 119.044 119.998 -0.954 25423 443 1 4 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.390 0.108 25423 444 1 4 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.737 -1.047 25423 445 1 4 . 1 1 55 55 PHE CB C 55 39.981 39.981 39.909 0.072 25423 446 1 4 . 1 1 55 55 PHE H H 55 8.790 8.790 8.461 0.329 25423 447 1 4 . 1 1 56 56 ASN N N 56 119.254 119.254 118.617 0.637 25423 448 1 4 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.209 0.126 25423 449 1 4 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.973 -0.726 25423 450 1 4 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.403 -0.100 25423 451 1 4 . 1 1 57 57 CYS N N 57 127.439 127.439 124.764 2.675 25423 452 1 4 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.199 -0.294 25423 453 1 4 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.550 0.866 25423 454 1 4 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.079 1.708 25423 455 1 4 . 1 1 57 57 CYS H H 57 9.404 9.404 8.719 0.685 25423 456 1 4 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.479 0.095 25423 457 1 4 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.552 -0.756 25423 458 1 4 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.857 0.055 25423 459 1 4 . 1 1 59 59 ILE N N 59 122.515 122.515 120.043 2.472 25423 460 1 4 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.851 0.068 25423 461 1 4 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.434 -1.350 25423 462 1 4 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.834 0.715 25423 463 1 4 . 1 1 60 60 CYS N N 60 119.620 119.620 114.194 5.426 25423 464 1 4 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.754 0.369 25423 465 1 4 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.300 -0.376 25423 466 1 4 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.630 2.226 25423 467 1 4 . 1 1 60 60 CYS H H 60 8.450 8.450 7.830 0.620 25423 468 1 4 . 1 1 61 61 ASP N N 61 119.453 119.453 120.567 -1.114 25423 469 1 4 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.418 0.256 25423 470 1 4 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.327 0.571 25423 471 1 4 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.194 1.255 25423 472 1 4 . 1 1 61 61 ASP H H 61 8.069 8.069 8.403 -0.334 25423 473 1 4 . 1 1 62 62 LYS N N 62 122.865 122.865 118.282 4.583 25423 474 1 4 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.472 -0.471 25423 475 1 4 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.550 2.594 25423 476 1 4 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.036 -0.165 25423 477 1 4 . 1 1 62 62 LYS H H 62 8.126 8.126 7.687 0.439 25423 478 1 4 . 1 1 63 63 ILE N N 63 123.398 123.398 118.570 4.828 25423 479 1 4 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.786 0.058 25423 480 1 4 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.965 -0.110 25423 481 1 4 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.318 -1.409 25423 482 1 4 . 1 1 64 64 PHE N N 64 124.921 124.921 120.968 3.953 25423 483 1 4 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.031 -0.166 25423 484 1 4 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.282 -1.013 25423 485 1 4 . 1 1 64 64 PHE CB C 64 41.393 41.393 41.336 0.057 25423 486 1 4 . 1 1 64 64 PHE H H 64 9.054 9.054 9.163 -0.109 25423 487 1 4 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.466 0.145 25423 488 1 4 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.430 -0.380 25423 489 1 4 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.271 0.354 25423 490 1 4 . 1 1 66 66 ALA N N 66 121.923 121.923 123.701 -1.778 25423 491 1 4 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.411 0.368 25423 492 1 4 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.101 -1.239 25423 493 1 4 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.543 -0.399 25423 494 1 4 . 1 1 66 66 ALA H H 66 8.271 8.271 7.936 0.335 25423 495 1 4 . 1 1 67 67 THR N N 67 104.076 104.076 108.509 -4.433 25423 496 1 4 . 1 1 67 67 THR HA H 67 4.232 4.232 4.255 -0.023 25423 497 1 4 . 1 1 67 67 THR CA C 67 61.824 61.824 63.112 -1.288 25423 498 1 4 . 1 1 67 67 THR CB C 67 68.103 68.103 68.501 -0.398 25423 499 1 4 . 1 1 68 68 GLU N N 68 122.788 122.788 121.896 0.892 25423 500 1 4 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.627 0.296 25423 501 1 4 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.511 -1.174 25423 502 1 4 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.346 -1.059 25423 503 1 4 . 1 1 68 68 GLU H H 68 7.879 7.879 8.503 -0.624 25423 504 1 4 . 1 1 69 69 LYS N N 69 121.136 121.136 119.890 1.246 25423 505 1 4 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.868 -0.434 25423 506 1 4 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.559 0.851 25423 507 1 4 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.804 0.496 25423 508 1 4 . 1 1 69 69 LYS H H 69 7.627 7.627 8.038 -0.411 25423 509 1 4 . 1 1 70 70 GLN N N 70 117.013 117.013 118.337 -1.324 25423 510 1 4 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.107 -0.189 25423 511 1 4 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.766 -0.103 25423 512 1 4 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.345 -0.592 25423 513 1 4 . 1 1 71 71 ILE N N 71 119.588 119.588 119.533 0.055 25423 514 1 4 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.807 -0.052 25423 515 1 4 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.181 -0.336 25423 516 1 4 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.653 -0.016 25423 517 1 4 . 1 1 72 72 PHE N N 72 122.393 122.393 121.463 0.930 25423 518 1 4 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.229 -0.262 25423 519 1 4 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.411 -0.975 25423 520 1 4 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.744 -1.338 25423 521 1 4 . 1 1 72 72 PHE H H 72 8.043 8.043 8.537 -0.494 25423 522 1 4 . 1 1 73 73 GLU N N 73 119.350 119.350 118.126 1.224 25423 523 1 4 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.653 -0.418 25423 524 1 4 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.090 0.286 25423 525 1 4 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.041 -0.572 25423 526 1 4 . 1 1 73 73 GLU H H 73 8.307 8.307 7.867 0.440 25423 527 1 4 . 1 1 74 74 ASP N N 74 120.085 120.085 120.638 -0.553 25423 528 1 4 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.521 -0.153 25423 529 1 4 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.053 -0.164 25423 530 1 4 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.967 -0.756 25423 531 1 4 . 1 1 74 74 ASP H H 74 8.130 8.130 7.799 0.331 25423 532 1 4 . 1 1 75 75 HIS N N 75 120.712 120.712 120.408 0.304 25423 533 1 4 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.286 -0.298 25423 534 1 4 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.801 -0.072 25423 535 1 4 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.197 -2.917 25423 536 1 4 . 1 1 75 75 HIS H H 75 8.037 8.037 8.193 -0.156 25423 537 1 4 . 1 1 76 76 VAL N N 76 119.276 119.276 119.275 0.001 25423 538 1 4 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.903 -0.465 25423 539 1 4 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.874 0.169 25423 540 1 4 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.431 0.217 25423 541 1 4 . 1 1 77 77 PHE N N 77 120.883 120.883 119.013 1.870 25423 542 1 4 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.143 0.041 25423 543 1 4 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.789 -1.251 25423 544 1 4 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.639 -0.023 25423 545 1 4 . 1 1 77 77 PHE H H 77 7.950 7.950 7.863 0.087 25423 546 1 4 . 1 1 78 78 CYS N N 78 116.956 116.956 117.404 -0.448 25423 547 1 4 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.002 -0.072 25423 548 1 4 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.663 -1.288 25423 549 1 4 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.617 -1.522 25423 550 1 4 . 1 1 78 78 CYS H H 78 8.017 8.017 7.720 0.297 25423 551 1 4 . 1 1 79 79 HIS N N 79 117.041 117.041 118.498 -1.457 25423 552 1 4 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.391 -0.004 25423 553 1 4 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.715 -0.805 25423 554 1 4 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.203 -0.728 25423 555 1 4 . 1 1 79 79 HIS H H 79 7.229 7.229 7.769 -0.540 25423 556 1 4 . 1 1 80 80 SER N N 80 114.684 114.684 114.020 0.664 25423 557 1 4 . 1 1 80 80 SER HA H 80 4.343 4.343 4.327 0.016 25423 558 1 4 . 1 1 80 80 SER CA C 80 58.448 58.448 59.478 -1.030 25423 559 1 4 . 1 1 80 80 SER CB C 80 63.471 63.471 63.636 -0.165 25423 560 1 4 . 1 1 80 80 SER H H 80 7.902 7.902 7.732 0.170 25423 561 1 5 . 1 1 50 50 MET N N 50 120.051 120.051 120.921 -0.870 25423 562 1 5 . 1 1 50 50 MET HA H 50 4.354 4.354 4.643 -0.289 25423 563 1 5 . 1 1 50 50 MET CA C 50 55.149 55.149 55.805 -0.656 25423 564 1 5 . 1 1 50 50 MET CB C 50 32.514 32.514 32.863 -0.349 25423 565 1 5 . 1 1 50 50 MET H H 50 7.944 7.944 8.278 -0.334 25423 566 1 5 . 1 1 51 51 GLN N N 51 122.311 122.311 123.095 -0.784 25423 567 1 5 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.276 0.238 25423 568 1 5 . 1 1 51 51 GLN CA C 51 53.303 53.303 59.862 -6.559 25423 569 1 5 . 1 1 51 51 GLN CB C 51 28.782 28.782 27.052 1.730 25423 570 1 5 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.171 0.136 25423 571 1 5 . 1 1 52 52 PRO CA C 52 62.481 62.481 64.859 -2.378 25423 572 1 5 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.380 0.471 25423 573 1 5 . 1 1 53 53 LEU N N 53 121.833 121.833 115.383 6.450 25423 574 1 5 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.172 -0.021 25423 575 1 5 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.074 -0.142 25423 576 1 5 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.934 0.040 25423 577 1 5 . 1 1 54 54 CYS N N 54 115.819 115.819 113.740 2.079 25423 578 1 5 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.443 -0.048 25423 579 1 5 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.011 0.171 25423 580 1 5 . 1 1 54 54 CYS CB C 54 29.869 29.869 30.410 -0.541 25423 581 1 5 . 1 1 54 54 CYS H H 54 7.719 7.719 7.608 0.111 25423 582 1 5 . 1 1 55 55 PHE N N 55 119.044 119.044 117.815 1.229 25423 583 1 5 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.490 0.008 25423 584 1 5 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.289 -0.599 25423 585 1 5 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.519 -0.538 25423 586 1 5 . 1 1 55 55 PHE H H 55 8.790 8.790 8.651 0.139 25423 587 1 5 . 1 1 56 56 ASN N N 56 119.254 119.254 122.377 -3.123 25423 588 1 5 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.868 0.467 25423 589 1 5 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.473 -1.226 25423 590 1 5 . 1 1 56 56 ASN CB C 56 40.303 40.303 38.944 1.359 25423 591 1 5 . 1 1 57 57 CYS N N 57 127.439 127.439 125.123 2.316 25423 592 1 5 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.069 -0.164 25423 593 1 5 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.438 0.979 25423 594 1 5 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.891 1.896 25423 595 1 5 . 1 1 57 57 CYS H H 57 9.404 9.404 8.900 0.504 25423 596 1 5 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.457 0.117 25423 597 1 5 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.773 -0.977 25423 598 1 5 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.707 0.205 25423 599 1 5 . 1 1 59 59 ILE N N 59 122.515 122.515 119.053 3.462 25423 600 1 5 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.934 -0.015 25423 601 1 5 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.139 -1.055 25423 602 1 5 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.868 0.680 25423 603 1 5 . 1 1 60 60 CYS N N 60 119.620 119.620 116.922 2.698 25423 604 1 5 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.720 0.403 25423 605 1 5 . 1 1 60 60 CYS CA C 60 57.924 57.924 59.193 -1.269 25423 606 1 5 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.032 1.824 25423 607 1 5 . 1 1 60 60 CYS H H 60 8.450 8.450 8.072 0.378 25423 608 1 5 . 1 1 61 61 ASP N N 61 119.453 119.453 117.204 2.249 25423 609 1 5 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.557 0.117 25423 610 1 5 . 1 1 61 61 ASP CA C 61 55.898 55.898 54.145 1.753 25423 611 1 5 . 1 1 61 61 ASP CB C 61 40.449 40.449 40.439 0.010 25423 612 1 5 . 1 1 61 61 ASP H H 61 8.069 8.069 8.281 -0.212 25423 613 1 5 . 1 1 62 62 LYS N N 62 122.865 122.865 123.029 -0.164 25423 614 1 5 . 1 1 62 62 LYS HA H 62 4.001 4.001 3.926 0.075 25423 615 1 5 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.378 0.766 25423 616 1 5 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.509 1.362 25423 617 1 5 . 1 1 62 62 LYS H H 62 8.126 8.126 7.780 0.346 25423 618 1 5 . 1 1 63 63 ILE N N 63 123.398 123.398 123.486 -0.088 25423 619 1 5 . 1 1 63 63 ILE HA H 63 4.844 4.844 5.156 -0.312 25423 620 1 5 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.222 0.633 25423 621 1 5 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.412 -1.503 25423 622 1 5 . 1 1 64 64 PHE N N 64 124.921 124.921 120.853 4.068 25423 623 1 5 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.069 -0.204 25423 624 1 5 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.207 -0.938 25423 625 1 5 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.261 -0.868 25423 626 1 5 . 1 1 64 64 PHE H H 64 9.054 9.054 8.835 0.219 25423 627 1 5 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.209 0.402 25423 628 1 5 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.130 -1.080 25423 629 1 5 . 1 1 65 65 PRO CB C 65 32.625 32.625 31.940 0.685 25423 630 1 5 . 1 1 66 66 ALA N N 66 121.923 121.923 123.875 -1.952 25423 631 1 5 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.262 0.517 25423 632 1 5 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.893 -1.031 25423 633 1 5 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.652 -0.508 25423 634 1 5 . 1 1 66 66 ALA H H 66 8.271 8.271 8.518 -0.247 25423 635 1 5 . 1 1 67 67 THR N N 67 104.076 104.076 109.355 -5.279 25423 636 1 5 . 1 1 67 67 THR HA H 67 4.232 4.232 4.201 0.031 25423 637 1 5 . 1 1 67 67 THR CA C 67 61.824 61.824 64.628 -2.804 25423 638 1 5 . 1 1 67 67 THR CB C 67 68.103 68.103 68.664 -0.561 25423 639 1 5 . 1 1 68 68 GLU N N 68 122.788 122.788 121.475 1.313 25423 640 1 5 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.672 0.251 25423 641 1 5 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.627 -1.290 25423 642 1 5 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.562 -1.275 25423 643 1 5 . 1 1 68 68 GLU H H 68 7.879 7.879 7.898 -0.019 25423 644 1 5 . 1 1 69 69 LYS N N 69 121.136 121.136 119.902 1.234 25423 645 1 5 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.074 -0.640 25423 646 1 5 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.635 0.775 25423 647 1 5 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.810 0.490 25423 648 1 5 . 1 1 69 69 LYS H H 69 7.627 7.627 7.878 -0.251 25423 649 1 5 . 1 1 70 70 GLN N N 70 117.013 117.013 119.824 -2.811 25423 650 1 5 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.063 -0.145 25423 651 1 5 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.725 -0.062 25423 652 1 5 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.155 -0.402 25423 653 1 5 . 1 1 71 71 ILE N N 71 119.588 119.588 118.860 0.728 25423 654 1 5 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.661 0.094 25423 655 1 5 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.457 -0.612 25423 656 1 5 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.216 0.421 25423 657 1 5 . 1 1 72 72 PHE N N 72 122.393 122.393 120.961 1.432 25423 658 1 5 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.379 -0.412 25423 659 1 5 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.987 -1.551 25423 660 1 5 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.978 -1.572 25423 661 1 5 . 1 1 72 72 PHE H H 72 8.043 8.043 8.166 -0.123 25423 662 1 5 . 1 1 73 73 GLU N N 73 119.350 119.350 118.257 1.093 25423 663 1 5 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.843 -0.608 25423 664 1 5 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.096 0.280 25423 665 1 5 . 1 1 73 73 GLU CB C 73 28.469 28.469 28.879 -0.410 25423 666 1 5 . 1 1 73 73 GLU H H 73 8.307 8.307 7.663 0.644 25423 667 1 5 . 1 1 74 74 ASP N N 74 120.085 120.085 120.181 -0.096 25423 668 1 5 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.314 0.054 25423 669 1 5 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.985 -0.096 25423 670 1 5 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.688 -0.477 25423 671 1 5 . 1 1 74 74 ASP H H 74 8.130 8.130 7.717 0.413 25423 672 1 5 . 1 1 75 75 HIS N N 75 120.712 120.712 120.348 0.364 25423 673 1 5 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.207 -0.219 25423 674 1 5 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.727 0.002 25423 675 1 5 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.061 -2.781 25423 676 1 5 . 1 1 75 75 HIS H H 75 8.037 8.037 8.068 -0.031 25423 677 1 5 . 1 1 76 76 VAL N N 76 119.276 119.276 119.170 0.106 25423 678 1 5 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.882 -0.444 25423 679 1 5 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.820 0.223 25423 680 1 5 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.429 0.219 25423 681 1 5 . 1 1 77 77 PHE N N 77 120.883 120.883 118.970 1.913 25423 682 1 5 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.144 0.040 25423 683 1 5 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.710 -1.172 25423 684 1 5 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.579 0.037 25423 685 1 5 . 1 1 77 77 PHE H H 77 7.950 7.950 7.945 0.005 25423 686 1 5 . 1 1 78 78 CYS N N 78 116.956 116.956 117.129 -0.173 25423 687 1 5 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.987 -0.057 25423 688 1 5 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.683 -1.308 25423 689 1 5 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.578 -1.483 25423 690 1 5 . 1 1 78 78 CYS H H 78 8.017 8.017 7.698 0.319 25423 691 1 5 . 1 1 79 79 HIS N N 79 117.041 117.041 118.261 -1.220 25423 692 1 5 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.370 0.017 25423 693 1 5 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.525 -0.615 25423 694 1 5 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.262 -0.787 25423 695 1 5 . 1 1 79 79 HIS H H 79 7.229 7.229 7.659 -0.430 25423 696 1 5 . 1 1 80 80 SER N N 80 114.684 114.684 113.984 0.700 25423 697 1 5 . 1 1 80 80 SER HA H 80 4.343 4.343 4.302 0.041 25423 698 1 5 . 1 1 80 80 SER CA C 80 58.448 58.448 59.378 -0.930 25423 699 1 5 . 1 1 80 80 SER CB C 80 63.471 63.471 63.441 0.030 25423 700 1 5 . 1 1 80 80 SER H H 80 7.902 7.902 7.670 0.232 25423 701 1 6 . 1 1 50 50 MET N N 50 120.051 120.051 121.111 -1.060 25423 702 1 6 . 1 1 50 50 MET HA H 50 4.354 4.354 4.703 -0.349 25423 703 1 6 . 1 1 50 50 MET CA C 50 55.149 55.149 55.100 0.049 25423 704 1 6 . 1 1 50 50 MET CB C 50 32.514 32.514 34.117 -1.603 25423 705 1 6 . 1 1 50 50 MET H H 50 7.944 7.944 8.226 -0.282 25423 706 1 6 . 1 1 51 51 GLN N N 51 122.311 122.311 121.326 0.985 25423 707 1 6 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.770 -0.256 25423 708 1 6 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.165 -0.862 25423 709 1 6 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.757 -1.975 25423 710 1 6 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.579 -0.272 25423 711 1 6 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.283 -0.802 25423 712 1 6 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.632 1.218 25423 713 1 6 . 1 1 53 53 LEU N N 53 121.833 121.833 121.037 0.796 25423 714 1 6 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.344 -0.193 25423 715 1 6 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.335 0.597 25423 716 1 6 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.712 -0.738 25423 717 1 6 . 1 1 54 54 CYS N N 54 115.819 115.819 113.894 1.925 25423 718 1 6 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.259 0.136 25423 719 1 6 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.553 -0.371 25423 720 1 6 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.397 0.472 25423 721 1 6 . 1 1 54 54 CYS H H 54 7.719 7.719 6.954 0.765 25423 722 1 6 . 1 1 55 55 PHE N N 55 119.044 119.044 118.927 0.117 25423 723 1 6 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.393 0.105 25423 724 1 6 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.479 -0.789 25423 725 1 6 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.252 -0.271 25423 726 1 6 . 1 1 55 55 PHE H H 55 8.790 8.790 8.777 0.013 25423 727 1 6 . 1 1 56 56 ASN N N 56 119.254 119.254 122.052 -2.798 25423 728 1 6 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.787 0.548 25423 729 1 6 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.755 -1.508 25423 730 1 6 . 1 1 56 56 ASN CB C 56 40.303 40.303 38.895 1.408 25423 731 1 6 . 1 1 57 57 CYS N N 57 127.439 127.439 124.973 2.466 25423 732 1 6 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.079 -0.174 25423 733 1 6 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.471 0.945 25423 734 1 6 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.823 1.964 25423 735 1 6 . 1 1 57 57 CYS H H 57 9.404 9.404 8.845 0.559 25423 736 1 6 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.452 0.122 25423 737 1 6 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.779 -0.983 25423 738 1 6 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.711 0.201 25423 739 1 6 . 1 1 59 59 ILE N N 59 122.515 122.515 119.037 3.478 25423 740 1 6 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.924 -0.005 25423 741 1 6 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.161 -1.077 25423 742 1 6 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.873 0.676 25423 743 1 6 . 1 1 60 60 CYS N N 60 119.620 119.620 116.944 2.676 25423 744 1 6 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.705 0.418 25423 745 1 6 . 1 1 60 60 CYS CA C 60 57.924 57.924 59.191 -1.267 25423 746 1 6 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.999 1.857 25423 747 1 6 . 1 1 60 60 CYS H H 60 8.450 8.450 8.074 0.376 25423 748 1 6 . 1 1 61 61 ASP N N 61 119.453 119.453 116.276 3.177 25423 749 1 6 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.520 0.154 25423 750 1 6 . 1 1 61 61 ASP CA C 61 55.898 55.898 53.880 2.018 25423 751 1 6 . 1 1 61 61 ASP CB C 61 40.449 40.449 40.511 -0.062 25423 752 1 6 . 1 1 61 61 ASP H H 61 8.069 8.069 8.234 -0.165 25423 753 1 6 . 1 1 62 62 LYS N N 62 122.865 122.865 122.718 0.147 25423 754 1 6 . 1 1 62 62 LYS HA H 62 4.001 4.001 3.846 0.155 25423 755 1 6 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.983 0.161 25423 756 1 6 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.430 1.441 25423 757 1 6 . 1 1 62 62 LYS H H 62 8.126 8.126 7.771 0.355 25423 758 1 6 . 1 1 63 63 ILE N N 63 123.398 123.398 122.741 0.657 25423 759 1 6 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.843 0.001 25423 760 1 6 . 1 1 63 63 ILE CA C 63 59.855 59.855 58.736 1.119 25423 761 1 6 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.444 -1.535 25423 762 1 6 . 1 1 64 64 PHE N N 64 124.921 124.921 119.449 5.472 25423 763 1 6 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.978 -0.113 25423 764 1 6 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.095 -0.826 25423 765 1 6 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.678 0.715 25423 766 1 6 . 1 1 64 64 PHE H H 64 9.054 9.054 8.394 0.660 25423 767 1 6 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.497 0.114 25423 768 1 6 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.467 -0.417 25423 769 1 6 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.064 0.561 25423 770 1 6 . 1 1 66 66 ALA N N 66 121.923 121.923 123.841 -1.918 25423 771 1 6 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.151 0.628 25423 772 1 6 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.870 -1.008 25423 773 1 6 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.608 -0.464 25423 774 1 6 . 1 1 66 66 ALA H H 66 8.271 8.271 7.843 0.428 25423 775 1 6 . 1 1 67 67 THR N N 67 104.076 104.076 109.437 -5.361 25423 776 1 6 . 1 1 67 67 THR HA H 67 4.232 4.232 4.203 0.029 25423 777 1 6 . 1 1 67 67 THR CA C 67 61.824 61.824 64.585 -2.761 25423 778 1 6 . 1 1 67 67 THR CB C 67 68.103 68.103 68.624 -0.521 25423 779 1 6 . 1 1 68 68 GLU N N 68 122.788 122.788 121.512 1.276 25423 780 1 6 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.625 0.298 25423 781 1 6 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.589 -1.252 25423 782 1 6 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.355 -1.069 25423 783 1 6 . 1 1 68 68 GLU H H 68 7.879 7.879 8.116 -0.237 25423 784 1 6 . 1 1 69 69 LYS N N 69 121.136 121.136 119.751 1.385 25423 785 1 6 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.113 -0.679 25423 786 1 6 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.640 0.770 25423 787 1 6 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.817 0.483 25423 788 1 6 . 1 1 69 69 LYS H H 69 7.627 7.627 7.903 -0.276 25423 789 1 6 . 1 1 70 70 GLN N N 70 117.013 117.013 118.843 -1.830 25423 790 1 6 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.123 -0.205 25423 791 1 6 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.745 -0.082 25423 792 1 6 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.486 -0.733 25423 793 1 6 . 1 1 71 71 ILE N N 71 119.588 119.588 119.518 0.070 25423 794 1 6 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.630 0.125 25423 795 1 6 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.461 -0.616 25423 796 1 6 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.545 0.092 25423 797 1 6 . 1 1 72 72 PHE N N 72 122.393 122.393 121.122 1.271 25423 798 1 6 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.506 -0.539 25423 799 1 6 . 1 1 72 72 PHE CA C 72 59.436 59.436 61.111 -1.675 25423 800 1 6 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.081 -1.675 25423 801 1 6 . 1 1 72 72 PHE H H 72 8.043 8.043 7.994 0.049 25423 802 1 6 . 1 1 73 73 GLU N N 73 119.350 119.350 118.008 1.342 25423 803 1 6 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.851 -0.616 25423 804 1 6 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.097 0.279 25423 805 1 6 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.015 -0.546 25423 806 1 6 . 1 1 73 73 GLU H H 73 8.307 8.307 7.830 0.477 25423 807 1 6 . 1 1 74 74 ASP N N 74 120.085 120.085 120.132 -0.047 25423 808 1 6 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.460 -0.092 25423 809 1 6 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.651 0.238 25423 810 1 6 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.016 -0.805 25423 811 1 6 . 1 1 74 74 ASP H H 74 8.130 8.130 7.767 0.363 25423 812 1 6 . 1 1 75 75 HIS N N 75 120.712 120.712 119.736 0.976 25423 813 1 6 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.239 -0.251 25423 814 1 6 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.358 0.371 25423 815 1 6 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.083 -2.803 25423 816 1 6 . 1 1 75 75 HIS H H 75 8.037 8.037 8.172 -0.135 25423 817 1 6 . 1 1 76 76 VAL N N 76 119.276 119.276 118.712 0.564 25423 818 1 6 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.874 -0.436 25423 819 1 6 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.621 0.422 25423 820 1 6 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.241 0.408 25423 821 1 6 . 1 1 77 77 PHE N N 77 120.883 120.883 120.169 0.714 25423 822 1 6 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.173 0.011 25423 823 1 6 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.670 -1.132 25423 824 1 6 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.698 -0.082 25423 825 1 6 . 1 1 77 77 PHE H H 77 7.950 7.950 7.873 0.077 25423 826 1 6 . 1 1 78 78 CYS N N 78 116.956 116.956 116.953 0.003 25423 827 1 6 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.907 0.023 25423 828 1 6 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.144 -0.769 25423 829 1 6 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.408 -1.313 25423 830 1 6 . 1 1 78 78 CYS H H 78 8.017 8.017 7.821 0.196 25423 831 1 6 . 1 1 79 79 HIS N N 79 117.041 117.041 118.627 -1.586 25423 832 1 6 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.348 0.039 25423 833 1 6 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.631 -0.721 25423 834 1 6 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.174 -0.699 25423 835 1 6 . 1 1 79 79 HIS H H 79 7.229 7.229 7.592 -0.363 25423 836 1 6 . 1 1 80 80 SER N N 80 114.684 114.684 113.895 0.789 25423 837 1 6 . 1 1 80 80 SER HA H 80 4.343 4.343 4.295 0.048 25423 838 1 6 . 1 1 80 80 SER CA C 80 58.448 58.448 59.994 -1.546 25423 839 1 6 . 1 1 80 80 SER CB C 80 63.471 63.471 63.574 -0.103 25423 840 1 6 . 1 1 80 80 SER H H 80 7.902 7.902 7.720 0.182 25423 841 1 7 . 1 1 50 50 MET N N 50 120.051 120.051 122.856 -2.805 25423 842 1 7 . 1 1 50 50 MET HA H 50 4.354 4.354 4.621 -0.267 25423 843 1 7 . 1 1 50 50 MET CA C 50 55.149 55.149 55.876 -0.727 25423 844 1 7 . 1 1 50 50 MET CB C 50 32.514 32.514 32.267 0.247 25423 845 1 7 . 1 1 50 50 MET H H 50 7.944 7.944 8.524 -0.580 25423 846 1 7 . 1 1 51 51 GLN N N 51 122.311 122.311 123.805 -1.494 25423 847 1 7 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.696 -0.182 25423 848 1 7 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.155 -0.852 25423 849 1 7 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.439 -1.657 25423 850 1 7 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.348 -0.041 25423 851 1 7 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.069 -0.588 25423 852 1 7 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.926 0.924 25423 853 1 7 . 1 1 53 53 LEU N N 53 121.833 121.833 122.671 -0.838 25423 854 1 7 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.270 -0.119 25423 855 1 7 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.346 -0.414 25423 856 1 7 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.905 0.069 25423 857 1 7 . 1 1 54 54 CYS N N 54 115.819 115.819 113.200 2.619 25423 858 1 7 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.608 -0.213 25423 859 1 7 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.077 -0.895 25423 860 1 7 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.905 -0.036 25423 861 1 7 . 1 1 54 54 CYS H H 54 7.719 7.719 7.163 0.556 25423 862 1 7 . 1 1 55 55 PHE N N 55 119.044 119.044 119.836 -0.792 25423 863 1 7 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.348 0.150 25423 864 1 7 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.211 -1.521 25423 865 1 7 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.859 -1.878 25423 866 1 7 . 1 1 55 55 PHE H H 55 8.790 8.790 8.911 -0.121 25423 867 1 7 . 1 1 56 56 ASN N N 56 119.254 119.254 122.267 -3.013 25423 868 1 7 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.269 0.066 25423 869 1 7 . 1 1 56 56 ASN CA C 56 51.247 51.247 53.109 -1.862 25423 870 1 7 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.344 0.959 25423 871 1 7 . 1 1 57 57 CYS N N 57 127.439 127.439 124.838 2.601 25423 872 1 7 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.074 -0.169 25423 873 1 7 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.510 0.906 25423 874 1 7 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.136 1.651 25423 875 1 7 . 1 1 57 57 CYS H H 57 9.404 9.404 8.887 0.517 25423 876 1 7 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.603 -0.029 25423 877 1 7 . 1 1 58 58 PRO CA C 58 63.796 63.796 63.798 -0.002 25423 878 1 7 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.268 0.644 25423 879 1 7 . 1 1 59 59 ILE N N 59 122.515 122.515 119.112 3.403 25423 880 1 7 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.117 -0.198 25423 881 1 7 . 1 1 59 59 ILE CA C 59 62.084 62.084 62.472 -0.388 25423 882 1 7 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.855 -0.306 25423 883 1 7 . 1 1 60 60 CYS N N 60 119.620 119.620 115.728 3.892 25423 884 1 7 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.812 0.311 25423 885 1 7 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.322 -0.398 25423 886 1 7 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.750 2.106 25423 887 1 7 . 1 1 60 60 CYS H H 60 8.450 8.450 7.930 0.520 25423 888 1 7 . 1 1 61 61 ASP N N 61 119.453 119.453 120.346 -0.893 25423 889 1 7 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.510 0.164 25423 890 1 7 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.473 0.425 25423 891 1 7 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.518 0.931 25423 892 1 7 . 1 1 61 61 ASP H H 61 8.069 8.069 8.406 -0.337 25423 893 1 7 . 1 1 62 62 LYS N N 62 122.865 122.865 118.748 4.117 25423 894 1 7 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.236 -0.235 25423 895 1 7 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.030 1.114 25423 896 1 7 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.440 0.431 25423 897 1 7 . 1 1 62 62 LYS H H 62 8.126 8.126 7.889 0.237 25423 898 1 7 . 1 1 63 63 ILE N N 63 123.398 123.398 118.797 4.601 25423 899 1 7 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.616 0.228 25423 900 1 7 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.797 -0.943 25423 901 1 7 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.110 -1.201 25423 902 1 7 . 1 1 64 64 PHE N N 64 124.921 124.921 123.391 1.530 25423 903 1 7 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.976 -0.111 25423 904 1 7 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.849 -1.580 25423 905 1 7 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.715 -1.323 25423 906 1 7 . 1 1 64 64 PHE H H 64 9.054 9.054 8.417 0.637 25423 907 1 7 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.397 0.214 25423 908 1 7 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.045 -0.995 25423 909 1 7 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.057 0.568 25423 910 1 7 . 1 1 66 66 ALA N N 66 121.923 121.923 123.930 -2.007 25423 911 1 7 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.888 -0.109 25423 912 1 7 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.203 -1.341 25423 913 1 7 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.703 -0.559 25423 914 1 7 . 1 1 66 66 ALA H H 66 8.271 8.271 8.046 0.225 25423 915 1 7 . 1 1 67 67 THR N N 67 104.076 104.076 109.731 -5.655 25423 916 1 7 . 1 1 67 67 THR HA H 67 4.232 4.232 4.213 0.019 25423 917 1 7 . 1 1 67 67 THR CA C 67 61.824 61.824 64.089 -2.265 25423 918 1 7 . 1 1 67 67 THR CB C 67 68.103 68.103 68.498 -0.395 25423 919 1 7 . 1 1 68 68 GLU N N 68 122.788 122.788 121.600 1.188 25423 920 1 7 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.648 0.275 25423 921 1 7 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.538 -1.201 25423 922 1 7 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.965 -0.678 25423 923 1 7 . 1 1 68 68 GLU H H 68 7.879 7.879 8.170 -0.291 25423 924 1 7 . 1 1 69 69 LYS N N 69 121.136 121.136 120.138 0.998 25423 925 1 7 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.119 -0.685 25423 926 1 7 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.879 0.531 25423 927 1 7 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.822 0.478 25423 928 1 7 . 1 1 69 69 LYS H H 69 7.627 7.627 7.742 -0.115 25423 929 1 7 . 1 1 70 70 GLN N N 70 117.013 117.013 118.491 -1.478 25423 930 1 7 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.073 -0.155 25423 931 1 7 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.230 -0.568 25423 932 1 7 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.591 -0.838 25423 933 1 7 . 1 1 71 71 ILE N N 71 119.588 119.588 119.251 0.337 25423 934 1 7 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.755 -0.000 25423 935 1 7 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.308 -0.463 25423 936 1 7 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.622 0.015 25423 937 1 7 . 1 1 72 72 PHE N N 72 122.393 122.393 121.425 0.968 25423 938 1 7 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.185 -0.218 25423 939 1 7 . 1 1 72 72 PHE CA C 72 59.436 59.436 61.014 -1.578 25423 940 1 7 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.885 -1.479 25423 941 1 7 . 1 1 72 72 PHE H H 72 8.043 8.043 8.514 -0.471 25423 942 1 7 . 1 1 73 73 GLU N N 73 119.350 119.350 118.543 0.807 25423 943 1 7 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.719 -0.484 25423 944 1 7 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.586 -0.210 25423 945 1 7 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.275 -0.806 25423 946 1 7 . 1 1 73 73 GLU H H 73 8.307 8.307 7.671 0.636 25423 947 1 7 . 1 1 74 74 ASP N N 74 120.085 120.085 119.809 0.276 25423 948 1 7 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.414 -0.046 25423 949 1 7 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.126 -0.236 25423 950 1 7 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.986 -0.775 25423 951 1 7 . 1 1 74 74 ASP H H 74 8.130 8.130 7.677 0.453 25423 952 1 7 . 1 1 75 75 HIS N N 75 120.712 120.712 119.872 0.840 25423 953 1 7 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.223 -0.235 25423 954 1 7 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.653 0.076 25423 955 1 7 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.997 -2.716 25423 956 1 7 . 1 1 75 75 HIS H H 75 8.037 8.037 8.141 -0.104 25423 957 1 7 . 1 1 76 76 VAL N N 76 119.276 119.276 118.544 0.732 25423 958 1 7 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.864 -0.426 25423 959 1 7 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.722 0.321 25423 960 1 7 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.096 0.552 25423 961 1 7 . 1 1 77 77 PHE N N 77 120.883 120.883 119.871 1.012 25423 962 1 7 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.134 0.050 25423 963 1 7 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.441 -0.903 25423 964 1 7 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.821 -0.205 25423 965 1 7 . 1 1 77 77 PHE H H 77 7.950 7.950 7.916 0.034 25423 966 1 7 . 1 1 78 78 CYS N N 78 116.956 116.956 117.447 -0.491 25423 967 1 7 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.091 -0.161 25423 968 1 7 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.343 0.032 25423 969 1 7 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.732 -0.637 25423 970 1 7 . 1 1 78 78 CYS H H 78 8.017 8.017 7.791 0.226 25423 971 1 7 . 1 1 79 79 HIS N N 79 117.041 117.041 118.271 -1.230 25423 972 1 7 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.353 0.034 25423 973 1 7 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.695 -0.785 25423 974 1 7 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.246 -0.771 25423 975 1 7 . 1 1 79 79 HIS H H 79 7.229 7.229 7.557 -0.328 25423 976 1 7 . 1 1 80 80 SER N N 80 114.684 114.684 113.903 0.781 25423 977 1 7 . 1 1 80 80 SER HA H 80 4.343 4.343 4.283 0.060 25423 978 1 7 . 1 1 80 80 SER CA C 80 58.448 58.448 59.643 -1.195 25423 979 1 7 . 1 1 80 80 SER CB C 80 63.471 63.471 63.371 0.100 25423 980 1 7 . 1 1 80 80 SER H H 80 7.902 7.902 7.668 0.234 25423 981 1 8 . 1 1 50 50 MET N N 50 120.051 120.051 121.170 -1.119 25423 982 1 8 . 1 1 50 50 MET HA H 50 4.354 4.354 4.634 -0.280 25423 983 1 8 . 1 1 50 50 MET CA C 50 55.149 55.149 57.021 -1.872 25423 984 1 8 . 1 1 50 50 MET CB C 50 32.514 32.514 33.492 -0.978 25423 985 1 8 . 1 1 50 50 MET H H 50 7.944 7.944 8.625 -0.681 25423 986 1 8 . 1 1 51 51 GLN N N 51 122.311 122.311 117.550 4.761 25423 987 1 8 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.579 -0.065 25423 988 1 8 . 1 1 51 51 GLN CA C 51 53.303 53.303 53.980 -0.677 25423 989 1 8 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.868 -0.086 25423 990 1 8 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.308 -0.001 25423 991 1 8 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.375 -0.894 25423 992 1 8 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.932 -0.082 25423 993 1 8 . 1 1 53 53 LEU N N 53 121.833 121.833 118.287 3.546 25423 994 1 8 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.944 0.207 25423 995 1 8 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.165 -0.233 25423 996 1 8 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.754 1.220 25423 997 1 8 . 1 1 54 54 CYS N N 54 115.819 115.819 111.620 4.199 25423 998 1 8 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.523 -0.128 25423 999 1 8 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.592 -0.409 25423 1000 1 8 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.946 -0.077 25423 1001 1 8 . 1 1 54 54 CYS H H 54 7.719 7.719 7.288 0.431 25423 1002 1 8 . 1 1 55 55 PHE N N 55 119.044 119.044 122.026 -2.982 25423 1003 1 8 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.457 0.041 25423 1004 1 8 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.078 -1.388 25423 1005 1 8 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.786 -1.805 25423 1006 1 8 . 1 1 55 55 PHE H H 55 8.790 8.790 9.190 -0.400 25423 1007 1 8 . 1 1 56 56 ASN N N 56 119.254 119.254 117.546 1.708 25423 1008 1 8 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.944 0.391 25423 1009 1 8 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.473 -0.226 25423 1010 1 8 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.441 0.862 25423 1011 1 8 . 1 1 57 57 CYS N N 57 127.439 127.439 122.692 4.747 25423 1012 1 8 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.147 -0.242 25423 1013 1 8 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.438 0.978 25423 1014 1 8 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.506 1.281 25423 1015 1 8 . 1 1 57 57 CYS H H 57 9.404 9.404 8.670 0.734 25423 1016 1 8 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.472 0.102 25423 1017 1 8 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.531 -0.735 25423 1018 1 8 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.975 -0.063 25423 1019 1 8 . 1 1 59 59 ILE N N 59 122.515 122.515 120.186 2.329 25423 1020 1 8 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.838 0.081 25423 1021 1 8 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.542 -1.458 25423 1022 1 8 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.777 0.772 25423 1023 1 8 . 1 1 60 60 CYS N N 60 119.620 119.620 114.190 5.430 25423 1024 1 8 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.789 0.334 25423 1025 1 8 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.474 -0.550 25423 1026 1 8 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.510 2.346 25423 1027 1 8 . 1 1 60 60 CYS H H 60 8.450 8.450 7.826 0.624 25423 1028 1 8 . 1 1 61 61 ASP N N 61 119.453 119.453 118.926 0.527 25423 1029 1 8 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.413 0.261 25423 1030 1 8 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.268 0.630 25423 1031 1 8 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.135 2.314 25423 1032 1 8 . 1 1 61 61 ASP H H 61 8.069 8.069 8.403 -0.334 25423 1033 1 8 . 1 1 62 62 LYS N N 62 122.865 122.865 118.938 3.927 25423 1034 1 8 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.455 -0.454 25423 1035 1 8 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.653 2.491 25423 1036 1 8 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.162 -0.291 25423 1037 1 8 . 1 1 62 62 LYS H H 62 8.126 8.126 7.634 0.492 25423 1038 1 8 . 1 1 63 63 ILE N N 63 123.398 123.398 119.810 3.588 25423 1039 1 8 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.392 0.452 25423 1040 1 8 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.164 -0.309 25423 1041 1 8 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.987 -1.078 25423 1042 1 8 . 1 1 64 64 PHE N N 64 124.921 124.921 122.061 2.860 25423 1043 1 8 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.095 -0.230 25423 1044 1 8 . 1 1 64 64 PHE CA C 64 54.269 54.269 54.769 -0.500 25423 1045 1 8 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.804 1.589 25423 1046 1 8 . 1 1 64 64 PHE H H 64 9.054 9.054 9.040 0.014 25423 1047 1 8 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.368 0.243 25423 1048 1 8 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.157 -1.107 25423 1049 1 8 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.005 0.620 25423 1050 1 8 . 1 1 66 66 ALA N N 66 121.923 121.923 123.487 -1.564 25423 1051 1 8 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.842 -0.063 25423 1052 1 8 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.928 -1.066 25423 1053 1 8 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.726 -0.582 25423 1054 1 8 . 1 1 66 66 ALA H H 66 8.271 8.271 8.012 0.259 25423 1055 1 8 . 1 1 67 67 THR N N 67 104.076 104.076 109.622 -5.546 25423 1056 1 8 . 1 1 67 67 THR HA H 67 4.232 4.232 4.204 0.028 25423 1057 1 8 . 1 1 67 67 THR CA C 67 61.824 61.824 63.706 -1.881 25423 1058 1 8 . 1 1 67 67 THR CB C 67 68.103 68.103 68.356 -0.253 25423 1059 1 8 . 1 1 68 68 GLU N N 68 122.788 122.788 121.732 1.056 25423 1060 1 8 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.597 0.326 25423 1061 1 8 . 1 1 68 68 GLU CA C 68 54.337 54.337 54.825 -0.488 25423 1062 1 8 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.576 -0.289 25423 1063 1 8 . 1 1 68 68 GLU H H 68 7.879 7.879 8.076 -0.197 25423 1064 1 8 . 1 1 69 69 LYS N N 69 121.136 121.136 119.779 1.357 25423 1065 1 8 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.100 -0.666 25423 1066 1 8 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.672 0.738 25423 1067 1 8 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.896 0.404 25423 1068 1 8 . 1 1 69 69 LYS H H 69 7.627 7.627 7.834 -0.207 25423 1069 1 8 . 1 1 70 70 GLN N N 70 117.013 117.013 118.225 -1.212 25423 1070 1 8 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.067 -0.149 25423 1071 1 8 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.659 0.004 25423 1072 1 8 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.606 -0.853 25423 1073 1 8 . 1 1 71 71 ILE N N 71 119.588 119.588 120.189 -0.601 25423 1074 1 8 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.738 0.017 25423 1075 1 8 . 1 1 71 71 ILE CA C 71 63.845 63.845 63.984 -0.139 25423 1076 1 8 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.666 -0.029 25423 1077 1 8 . 1 1 72 72 PHE N N 72 122.393 122.393 121.176 1.217 25423 1078 1 8 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.772 -0.805 25423 1079 1 8 . 1 1 72 72 PHE CA C 72 59.436 59.436 59.991 -0.555 25423 1080 1 8 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.721 -1.315 25423 1081 1 8 . 1 1 72 72 PHE H H 72 8.043 8.043 8.566 -0.523 25423 1082 1 8 . 1 1 73 73 GLU N N 73 119.350 119.350 118.924 0.426 25423 1083 1 8 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.678 -0.443 25423 1084 1 8 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.461 -0.085 25423 1085 1 8 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.116 -0.647 25423 1086 1 8 . 1 1 73 73 GLU H H 73 8.307 8.307 7.669 0.638 25423 1087 1 8 . 1 1 74 74 ASP N N 74 120.085 120.085 119.597 0.488 25423 1088 1 8 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.407 -0.039 25423 1089 1 8 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.869 0.020 25423 1090 1 8 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.126 -0.915 25423 1091 1 8 . 1 1 74 74 ASP H H 74 8.130 8.130 7.723 0.407 25423 1092 1 8 . 1 1 75 75 HIS N N 75 120.712 120.712 119.993 0.719 25423 1093 1 8 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.302 -0.314 25423 1094 1 8 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.477 0.252 25423 1095 1 8 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.210 -2.930 25423 1096 1 8 . 1 1 75 75 HIS H H 75 8.037 8.037 8.260 -0.223 25423 1097 1 8 . 1 1 76 76 VAL N N 76 119.276 119.276 118.885 0.391 25423 1098 1 8 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.952 -0.514 25423 1099 1 8 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.376 0.667 25423 1100 1 8 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.404 0.244 25423 1101 1 8 . 1 1 77 77 PHE N N 77 120.883 120.883 120.553 0.330 25423 1102 1 8 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.124 0.060 25423 1103 1 8 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.607 -1.069 25423 1104 1 8 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.783 -0.167 25423 1105 1 8 . 1 1 77 77 PHE H H 77 7.950 7.950 7.882 0.068 25423 1106 1 8 . 1 1 78 78 CYS N N 78 116.956 116.956 117.062 -0.106 25423 1107 1 8 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.933 -0.003 25423 1108 1 8 . 1 1 78 78 CYS CA C 78 62.375 62.375 64.083 -1.708 25423 1109 1 8 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.989 -0.894 25423 1110 1 8 . 1 1 78 78 CYS H H 78 8.017 8.017 7.762 0.255 25423 1111 1 8 . 1 1 79 79 HIS N N 79 117.041 117.041 118.479 -1.438 25423 1112 1 8 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.367 0.020 25423 1113 1 8 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.818 -0.908 25423 1114 1 8 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.223 -0.748 25423 1115 1 8 . 1 1 79 79 HIS H H 79 7.229 7.229 7.656 -0.427 25423 1116 1 8 . 1 1 80 80 SER N N 80 114.684 114.684 114.034 0.650 25423 1117 1 8 . 1 1 80 80 SER HA H 80 4.343 4.343 4.295 0.048 25423 1118 1 8 . 1 1 80 80 SER CA C 80 58.448 58.448 59.729 -1.281 25423 1119 1 8 . 1 1 80 80 SER CB C 80 63.471 63.471 63.502 -0.031 25423 1120 1 8 . 1 1 80 80 SER H H 80 7.902 7.902 7.680 0.222 25423 1121 1 9 . 1 1 50 50 MET N N 50 120.051 120.051 122.582 -2.531 25423 1122 1 9 . 1 1 50 50 MET HA H 50 4.354 4.354 4.639 -0.285 25423 1123 1 9 . 1 1 50 50 MET CA C 50 55.149 55.149 55.185 -0.036 25423 1124 1 9 . 1 1 50 50 MET CB C 50 32.514 32.514 32.529 -0.015 25423 1125 1 9 . 1 1 50 50 MET H H 50 7.944 7.944 8.222 -0.278 25423 1126 1 9 . 1 1 51 51 GLN N N 51 122.311 122.311 120.348 1.963 25423 1127 1 9 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.606 -0.092 25423 1128 1 9 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.623 -1.320 25423 1129 1 9 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.960 -1.178 25423 1130 1 9 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.361 -0.054 25423 1131 1 9 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.518 -1.037 25423 1132 1 9 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.068 -0.218 25423 1133 1 9 . 1 1 53 53 LEU N N 53 121.833 121.833 115.499 6.334 25423 1134 1 9 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.987 0.164 25423 1135 1 9 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.177 -0.245 25423 1136 1 9 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.912 1.062 25423 1137 1 9 . 1 1 54 54 CYS N N 54 115.819 115.819 114.860 0.959 25423 1138 1 9 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.851 -0.456 25423 1139 1 9 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.814 -0.632 25423 1140 1 9 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.527 -1.658 25423 1141 1 9 . 1 1 54 54 CYS H H 54 7.719 7.719 7.391 0.328 25423 1142 1 9 . 1 1 55 55 PHE N N 55 119.044 119.044 118.196 0.848 25423 1143 1 9 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.576 -0.078 25423 1144 1 9 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.588 -0.898 25423 1145 1 9 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.219 -2.238 25423 1146 1 9 . 1 1 55 55 PHE H H 55 8.790 8.790 9.121 -0.331 25423 1147 1 9 . 1 1 56 56 ASN N N 56 119.254 119.254 118.123 1.131 25423 1148 1 9 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.411 -0.076 25423 1149 1 9 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.710 -1.463 25423 1150 1 9 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.725 -0.422 25423 1151 1 9 . 1 1 57 57 CYS N N 57 127.439 127.439 125.092 2.347 25423 1152 1 9 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.212 -0.307 25423 1153 1 9 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.962 0.454 25423 1154 1 9 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.747 2.040 25423 1155 1 9 . 1 1 57 57 CYS H H 57 9.404 9.404 9.177 0.227 25423 1156 1 9 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.435 0.139 25423 1157 1 9 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.148 -1.352 25423 1158 1 9 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.713 0.199 25423 1159 1 9 . 1 1 59 59 ILE N N 59 122.515 122.515 118.872 3.643 25423 1160 1 9 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.870 0.049 25423 1161 1 9 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.348 -1.264 25423 1162 1 9 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.918 0.631 25423 1163 1 9 . 1 1 60 60 CYS N N 60 119.620 119.620 114.015 5.605 25423 1164 1 9 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.784 0.339 25423 1165 1 9 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.382 -0.458 25423 1166 1 9 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.264 1.592 25423 1167 1 9 . 1 1 60 60 CYS H H 60 8.450 8.450 7.927 0.523 25423 1168 1 9 . 1 1 61 61 ASP N N 61 119.453 119.453 120.333 -0.880 25423 1169 1 9 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.491 0.183 25423 1170 1 9 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.536 0.362 25423 1171 1 9 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.562 0.887 25423 1172 1 9 . 1 1 61 61 ASP H H 61 8.069 8.069 8.756 -0.687 25423 1173 1 9 . 1 1 62 62 LYS N N 62 122.865 122.865 119.199 3.666 25423 1174 1 9 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.152 -0.151 25423 1175 1 9 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.149 0.995 25423 1176 1 9 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.216 0.655 25423 1177 1 9 . 1 1 62 62 LYS H H 62 8.126 8.126 7.765 0.361 25423 1178 1 9 . 1 1 63 63 ILE N N 63 123.398 123.398 120.923 2.475 25423 1179 1 9 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.744 0.100 25423 1180 1 9 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.433 -0.578 25423 1181 1 9 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.934 -1.025 25423 1182 1 9 . 1 1 64 64 PHE N N 64 124.921 124.921 122.938 1.983 25423 1183 1 9 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.991 -0.126 25423 1184 1 9 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.434 -1.165 25423 1185 1 9 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.466 -1.073 25423 1186 1 9 . 1 1 64 64 PHE H H 64 9.054 9.054 8.441 0.613 25423 1187 1 9 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.394 0.217 25423 1188 1 9 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.699 -0.649 25423 1189 1 9 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.247 0.378 25423 1190 1 9 . 1 1 66 66 ALA N N 66 121.923 121.923 125.048 -3.125 25423 1191 1 9 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.382 -0.603 25423 1192 1 9 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.316 -1.454 25423 1193 1 9 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.747 -0.603 25423 1194 1 9 . 1 1 66 66 ALA H H 66 8.271 8.271 8.783 -0.512 25423 1195 1 9 . 1 1 67 67 THR N N 67 104.076 104.076 109.877 -5.801 25423 1196 1 9 . 1 1 67 67 THR HA H 67 4.232 4.232 4.215 0.017 25423 1197 1 9 . 1 1 67 67 THR CA C 67 61.824 61.824 64.317 -2.493 25423 1198 1 9 . 1 1 67 67 THR CB C 67 68.103 68.103 68.382 -0.279 25423 1199 1 9 . 1 1 68 68 GLU N N 68 122.788 122.788 121.252 1.536 25423 1200 1 9 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.581 0.342 25423 1201 1 9 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.561 -1.224 25423 1202 1 9 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.153 -0.866 25423 1203 1 9 . 1 1 68 68 GLU H H 68 7.879 7.879 8.177 -0.298 25423 1204 1 9 . 1 1 69 69 LYS N N 69 121.136 121.136 120.879 0.257 25423 1205 1 9 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.482 -0.048 25423 1206 1 9 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.723 0.687 25423 1207 1 9 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.228 0.071 25423 1208 1 9 . 1 1 69 69 LYS H H 69 7.627 7.627 7.657 -0.030 25423 1209 1 9 . 1 1 70 70 GLN N N 70 117.013 117.013 118.606 -1.593 25423 1210 1 9 . 1 1 70 70 GLN HA H 70 3.918 3.918 3.955 -0.037 25423 1211 1 9 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.197 -0.534 25423 1212 1 9 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.297 -0.544 25423 1213 1 9 . 1 1 71 71 ILE N N 71 119.588 119.588 118.984 0.604 25423 1214 1 9 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.641 0.114 25423 1215 1 9 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.330 -0.485 25423 1216 1 9 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.336 0.301 25423 1217 1 9 . 1 1 72 72 PHE N N 72 122.393 122.393 121.196 1.197 25423 1218 1 9 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.276 -0.309 25423 1219 1 9 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.529 -1.093 25423 1220 1 9 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.580 -1.173 25423 1221 1 9 . 1 1 72 72 PHE H H 72 8.043 8.043 7.846 0.197 25423 1222 1 9 . 1 1 73 73 GLU N N 73 119.350 119.350 118.242 1.108 25423 1223 1 9 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.768 -0.533 25423 1224 1 9 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.699 -0.323 25423 1225 1 9 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.140 -0.671 25423 1226 1 9 . 1 1 73 73 GLU H H 73 8.307 8.307 7.613 0.694 25423 1227 1 9 . 1 1 74 74 ASP N N 74 120.085 120.085 119.933 0.152 25423 1228 1 9 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.362 0.006 25423 1229 1 9 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.307 -0.418 25423 1230 1 9 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.959 -0.748 25423 1231 1 9 . 1 1 74 74 ASP H H 74 8.130 8.130 7.683 0.447 25423 1232 1 9 . 1 1 75 75 HIS N N 75 120.712 120.712 120.182 0.530 25423 1233 1 9 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.209 -0.221 25423 1234 1 9 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.285 0.444 25423 1235 1 9 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.049 -2.769 25423 1236 1 9 . 1 1 75 75 HIS H H 75 8.037 8.037 8.158 -0.121 25423 1237 1 9 . 1 1 76 76 VAL N N 76 119.276 119.276 118.649 0.627 25423 1238 1 9 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.899 -0.461 25423 1239 1 9 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.835 0.208 25423 1240 1 9 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.196 0.452 25423 1241 1 9 . 1 1 77 77 PHE N N 77 120.883 120.883 119.079 1.804 25423 1242 1 9 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.292 -0.108 25423 1243 1 9 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.710 -1.172 25423 1244 1 9 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.584 0.033 25423 1245 1 9 . 1 1 77 77 PHE H H 77 7.950 7.950 7.956 -0.006 25423 1246 1 9 . 1 1 78 78 CYS N N 78 116.956 116.956 117.077 -0.121 25423 1247 1 9 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.972 -0.042 25423 1248 1 9 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.919 -0.544 25423 1249 1 9 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.399 -1.304 25423 1250 1 9 . 1 1 78 78 CYS H H 78 8.017 8.017 7.735 0.282 25423 1251 1 9 . 1 1 79 79 HIS N N 79 117.041 117.041 118.448 -1.407 25423 1252 1 9 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.361 0.026 25423 1253 1 9 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.620 -0.710 25423 1254 1 9 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.262 -0.786 25423 1255 1 9 . 1 1 79 79 HIS H H 79 7.229 7.229 7.676 -0.447 25423 1256 1 9 . 1 1 80 80 SER N N 80 114.684 114.684 113.919 0.765 25423 1257 1 9 . 1 1 80 80 SER HA H 80 4.343 4.343 4.249 0.094 25423 1258 1 9 . 1 1 80 80 SER CA C 80 58.448 58.448 59.577 -1.129 25423 1259 1 9 . 1 1 80 80 SER CB C 80 63.471 63.471 63.510 -0.039 25423 1260 1 9 . 1 1 80 80 SER H H 80 7.902 7.902 7.748 0.154 25423 1261 1 10 . 1 1 50 50 MET N N 50 120.051 120.051 120.764 -0.713 25423 1262 1 10 . 1 1 50 50 MET HA H 50 4.354 4.354 4.719 -0.365 25423 1263 1 10 . 1 1 50 50 MET CA C 50 55.149 55.149 55.658 -0.509 25423 1264 1 10 . 1 1 50 50 MET CB C 50 32.514 32.514 33.621 -1.107 25423 1265 1 10 . 1 1 50 50 MET H H 50 7.944 7.944 8.316 -0.372 25423 1266 1 10 . 1 1 51 51 GLN N N 51 122.311 122.311 121.501 0.810 25423 1267 1 10 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.623 -0.109 25423 1268 1 10 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.277 -0.974 25423 1269 1 10 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.695 -0.913 25423 1270 1 10 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.108 0.199 25423 1271 1 10 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.239 0.242 25423 1272 1 10 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.450 -0.600 25423 1273 1 10 . 1 1 53 53 LEU N N 53 121.833 121.833 115.366 6.467 25423 1274 1 10 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.952 0.199 25423 1275 1 10 . 1 1 53 53 LEU CA C 53 54.932 54.932 56.041 -1.109 25423 1276 1 10 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.156 0.818 25423 1277 1 10 . 1 1 54 54 CYS N N 54 115.819 115.819 111.908 3.911 25423 1278 1 10 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.642 -0.247 25423 1279 1 10 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.660 -1.478 25423 1280 1 10 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.633 1.236 25423 1281 1 10 . 1 1 54 54 CYS H H 54 7.719 7.719 7.098 0.621 25423 1282 1 10 . 1 1 55 55 PHE N N 55 119.044 119.044 117.386 1.658 25423 1283 1 10 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.287 0.211 25423 1284 1 10 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.438 -1.748 25423 1285 1 10 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.477 -2.496 25423 1286 1 10 . 1 1 55 55 PHE H H 55 8.790 8.790 8.825 -0.035 25423 1287 1 10 . 1 1 56 56 ASN N N 56 119.254 119.254 121.624 -2.370 25423 1288 1 10 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.139 0.196 25423 1289 1 10 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.860 -0.613 25423 1290 1 10 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.252 1.051 25423 1291 1 10 . 1 1 57 57 CYS N N 57 127.439 127.439 124.800 2.639 25423 1292 1 10 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.127 -0.222 25423 1293 1 10 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.667 0.749 25423 1294 1 10 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.882 1.905 25423 1295 1 10 . 1 1 57 57 CYS H H 57 9.404 9.404 8.617 0.787 25423 1296 1 10 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.458 0.116 25423 1297 1 10 . 1 1 58 58 PRO CA C 58 63.796 63.796 65.008 -1.212 25423 1298 1 10 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.683 0.229 25423 1299 1 10 . 1 1 59 59 ILE N N 59 122.515 122.515 119.770 2.745 25423 1300 1 10 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.831 0.088 25423 1301 1 10 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.428 -1.344 25423 1302 1 10 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.866 0.683 25423 1303 1 10 . 1 1 60 60 CYS N N 60 119.620 119.620 114.165 5.455 25423 1304 1 10 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.755 0.368 25423 1305 1 10 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.130 -0.206 25423 1306 1 10 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.653 2.203 25423 1307 1 10 . 1 1 60 60 CYS H H 60 8.450 8.450 7.952 0.498 25423 1308 1 10 . 1 1 61 61 ASP N N 61 119.453 119.453 120.961 -1.508 25423 1309 1 10 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.437 0.237 25423 1310 1 10 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.601 0.297 25423 1311 1 10 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.231 1.218 25423 1312 1 10 . 1 1 61 61 ASP H H 61 8.069 8.069 8.573 -0.504 25423 1313 1 10 . 1 1 62 62 LYS N N 62 122.865 122.865 118.549 4.316 25423 1314 1 10 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.604 -0.603 25423 1315 1 10 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.682 2.462 25423 1316 1 10 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.401 -0.530 25423 1317 1 10 . 1 1 62 62 LYS H H 62 8.126 8.126 7.792 0.334 25423 1318 1 10 . 1 1 63 63 ILE N N 63 123.398 123.398 118.380 5.018 25423 1319 1 10 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.521 0.323 25423 1320 1 10 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.246 -0.391 25423 1321 1 10 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.956 -1.047 25423 1322 1 10 . 1 1 64 64 PHE N N 64 124.921 124.921 121.445 3.476 25423 1323 1 10 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.960 -0.095 25423 1324 1 10 . 1 1 64 64 PHE CA C 64 54.269 54.269 56.071 -1.802 25423 1325 1 10 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.894 -1.501 25423 1326 1 10 . 1 1 64 64 PHE H H 64 9.054 9.054 8.388 0.666 25423 1327 1 10 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.571 0.040 25423 1328 1 10 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.544 -0.494 25423 1329 1 10 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.419 0.206 25423 1330 1 10 . 1 1 66 66 ALA N N 66 121.923 121.923 124.224 -2.301 25423 1331 1 10 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.881 -0.102 25423 1332 1 10 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.208 -1.345 25423 1333 1 10 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.515 -0.371 25423 1334 1 10 . 1 1 66 66 ALA H H 66 8.271 8.271 8.214 0.057 25423 1335 1 10 . 1 1 67 67 THR N N 67 104.076 104.076 108.313 -4.237 25423 1336 1 10 . 1 1 67 67 THR HA H 67 4.232 4.232 4.255 -0.023 25423 1337 1 10 . 1 1 67 67 THR CA C 67 61.824 61.824 62.295 -0.471 25423 1338 1 10 . 1 1 67 67 THR CB C 67 68.103 68.103 67.823 0.280 25423 1339 1 10 . 1 1 68 68 GLU N N 68 122.788 122.788 121.769 1.019 25423 1340 1 10 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.716 0.207 25423 1341 1 10 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.044 -0.707 25423 1342 1 10 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.244 -0.957 25423 1343 1 10 . 1 1 68 68 GLU H H 68 7.879 7.879 8.430 -0.551 25423 1344 1 10 . 1 1 69 69 LYS N N 69 121.136 121.136 120.957 0.179 25423 1345 1 10 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.196 -0.762 25423 1346 1 10 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.456 0.954 25423 1347 1 10 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.270 0.030 25423 1348 1 10 . 1 1 69 69 LYS H H 69 7.627 7.627 8.088 -0.461 25423 1349 1 10 . 1 1 70 70 GLN N N 70 117.013 117.013 117.476 -0.463 25423 1350 1 10 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.163 -0.245 25423 1351 1 10 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.643 0.020 25423 1352 1 10 . 1 1 70 70 GLN CB C 70 27.753 27.753 27.633 0.120 25423 1353 1 10 . 1 1 71 71 ILE N N 71 119.588 119.588 120.548 -0.960 25423 1354 1 10 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.899 -0.144 25423 1355 1 10 . 1 1 71 71 ILE CA C 71 63.845 63.845 63.853 -0.008 25423 1356 1 10 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.793 -0.156 25423 1357 1 10 . 1 1 72 72 PHE N N 72 122.393 122.393 121.358 1.035 25423 1358 1 10 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.287 -0.320 25423 1359 1 10 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.384 -0.948 25423 1360 1 10 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.948 -1.542 25423 1361 1 10 . 1 1 72 72 PHE H H 72 8.043 8.043 8.766 -0.723 25423 1362 1 10 . 1 1 73 73 GLU N N 73 119.350 119.350 118.523 0.827 25423 1363 1 10 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.765 -0.530 25423 1364 1 10 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.714 -0.338 25423 1365 1 10 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.279 -0.810 25423 1366 1 10 . 1 1 73 73 GLU H H 73 8.307 8.307 7.736 0.571 25423 1367 1 10 . 1 1 74 74 ASP N N 74 120.085 120.085 119.823 0.262 25423 1368 1 10 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.399 -0.031 25423 1369 1 10 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.706 0.182 25423 1370 1 10 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.991 -0.780 25423 1371 1 10 . 1 1 74 74 ASP H H 74 8.130 8.130 7.679 0.451 25423 1372 1 10 . 1 1 75 75 HIS N N 75 120.712 120.712 119.437 1.275 25423 1373 1 10 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.231 -0.243 25423 1374 1 10 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.770 -0.041 25423 1375 1 10 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.033 -2.753 25423 1376 1 10 . 1 1 75 75 HIS H H 75 8.037 8.037 8.084 -0.047 25423 1377 1 10 . 1 1 76 76 VAL N N 76 119.276 119.276 119.055 0.221 25423 1378 1 10 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.827 -0.389 25423 1379 1 10 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.628 0.415 25423 1380 1 10 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.468 0.180 25423 1381 1 10 . 1 1 77 77 PHE N N 77 120.883 120.883 118.650 2.233 25423 1382 1 10 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.059 0.125 25423 1383 1 10 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.593 -1.056 25423 1384 1 10 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.962 -0.346 25423 1385 1 10 . 1 1 77 77 PHE H H 77 7.950 7.950 7.775 0.175 25423 1386 1 10 . 1 1 78 78 CYS N N 78 116.956 116.956 117.650 -0.694 25423 1387 1 10 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.028 -0.098 25423 1388 1 10 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.465 -0.090 25423 1389 1 10 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.755 -0.660 25423 1390 1 10 . 1 1 78 78 CYS H H 78 8.017 8.017 7.773 0.244 25423 1391 1 10 . 1 1 79 79 HIS N N 79 117.041 117.041 118.283 -1.242 25423 1392 1 10 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.356 0.031 25423 1393 1 10 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.881 -0.971 25423 1394 1 10 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.183 -0.708 25423 1395 1 10 . 1 1 79 79 HIS H H 79 7.229 7.229 7.556 -0.327 25423 1396 1 10 . 1 1 80 80 SER N N 80 114.684 114.684 113.937 0.747 25423 1397 1 10 . 1 1 80 80 SER HA H 80 4.343 4.343 4.253 0.090 25423 1398 1 10 . 1 1 80 80 SER CA C 80 58.448 58.448 59.368 -0.920 25423 1399 1 10 . 1 1 80 80 SER CB C 80 63.471 63.471 63.431 0.041 25423 1400 1 10 . 1 1 80 80 SER H H 80 7.902 7.902 7.644 0.258 25423 1401 1 11 . 1 1 50 50 MET N N 50 120.051 120.051 119.165 0.886 25423 1402 1 11 . 1 1 50 50 MET HA H 50 4.354 4.354 4.407 -0.053 25423 1403 1 11 . 1 1 50 50 MET CA C 50 55.149 55.149 56.466 -1.317 25423 1404 1 11 . 1 1 50 50 MET CB C 50 32.514 32.514 33.409 -0.895 25423 1405 1 11 . 1 1 50 50 MET H H 50 7.944 7.944 8.031 -0.087 25423 1406 1 11 . 1 1 51 51 GLN N N 51 122.311 122.311 119.666 2.645 25423 1407 1 11 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.137 0.377 25423 1408 1 11 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.701 -2.398 25423 1409 1 11 . 1 1 51 51 GLN CB C 51 28.782 28.782 26.859 1.923 25423 1410 1 11 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.212 0.095 25423 1411 1 11 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.400 0.081 25423 1412 1 11 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.306 -0.456 25423 1413 1 11 . 1 1 53 53 LEU N N 53 121.833 121.833 118.315 3.518 25423 1414 1 11 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.937 0.214 25423 1415 1 11 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.397 -0.465 25423 1416 1 11 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.324 0.650 25423 1417 1 11 . 1 1 54 54 CYS N N 54 115.819 115.819 114.566 1.253 25423 1418 1 11 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.532 -0.137 25423 1419 1 11 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.422 -1.240 25423 1420 1 11 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.193 -1.324 25423 1421 1 11 . 1 1 54 54 CYS H H 54 7.719 7.719 7.187 0.532 25423 1422 1 11 . 1 1 55 55 PHE N N 55 119.044 119.044 119.993 -0.949 25423 1423 1 11 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.399 0.099 25423 1424 1 11 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.010 -1.320 25423 1425 1 11 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.344 -2.363 25423 1426 1 11 . 1 1 55 55 PHE H H 55 8.790 8.790 9.132 -0.342 25423 1427 1 11 . 1 1 56 56 ASN N N 56 119.254 119.254 122.295 -3.041 25423 1428 1 11 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.994 0.341 25423 1429 1 11 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.299 -1.052 25423 1430 1 11 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.486 0.817 25423 1431 1 11 . 1 1 57 57 CYS N N 57 127.439 127.439 124.443 2.996 25423 1432 1 11 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.223 -0.318 25423 1433 1 11 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.368 1.048 25423 1434 1 11 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.994 1.793 25423 1435 1 11 . 1 1 57 57 CYS H H 57 9.404 9.404 8.859 0.545 25423 1436 1 11 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.483 0.091 25423 1437 1 11 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.324 -0.528 25423 1438 1 11 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.726 0.186 25423 1439 1 11 . 1 1 59 59 ILE N N 59 122.515 122.515 119.331 3.184 25423 1440 1 11 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.986 -0.067 25423 1441 1 11 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.078 -0.994 25423 1442 1 11 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.166 0.383 25423 1443 1 11 . 1 1 60 60 CYS N N 60 119.620 119.620 114.505 5.115 25423 1444 1 11 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.787 0.336 25423 1445 1 11 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.627 -0.703 25423 1446 1 11 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.437 1.419 25423 1447 1 11 . 1 1 60 60 CYS H H 60 8.450 8.450 7.859 0.591 25423 1448 1 11 . 1 1 61 61 ASP N N 61 119.453 119.453 119.383 0.070 25423 1449 1 11 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.491 0.183 25423 1450 1 11 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.239 0.659 25423 1451 1 11 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.376 1.073 25423 1452 1 11 . 1 1 61 61 ASP H H 61 8.069 8.069 8.416 -0.347 25423 1453 1 11 . 1 1 62 62 LYS N N 62 122.865 122.865 119.755 3.110 25423 1454 1 11 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.075 -0.074 25423 1455 1 11 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.605 1.539 25423 1456 1 11 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.450 1.421 25423 1457 1 11 . 1 1 62 62 LYS H H 62 8.126 8.126 7.610 0.516 25423 1458 1 11 . 1 1 63 63 ILE N N 63 123.398 123.398 124.191 -0.793 25423 1459 1 11 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.778 0.066 25423 1460 1 11 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.250 0.605 25423 1461 1 11 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.597 -0.688 25423 1462 1 11 . 1 1 64 64 PHE N N 64 124.921 124.921 122.508 2.413 25423 1463 1 11 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.072 -0.207 25423 1464 1 11 . 1 1 64 64 PHE CA C 64 54.269 54.269 54.985 -0.716 25423 1465 1 11 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.003 1.390 25423 1466 1 11 . 1 1 64 64 PHE H H 64 9.054 9.054 9.090 -0.036 25423 1467 1 11 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.500 0.111 25423 1468 1 11 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.329 -0.279 25423 1469 1 11 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.343 0.282 25423 1470 1 11 . 1 1 66 66 ALA N N 66 121.923 121.923 123.643 -1.720 25423 1471 1 11 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.920 -0.141 25423 1472 1 11 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.171 -1.309 25423 1473 1 11 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.579 -0.435 25423 1474 1 11 . 1 1 66 66 ALA H H 66 8.271 8.271 8.098 0.173 25423 1475 1 11 . 1 1 67 67 THR N N 67 104.076 104.076 109.141 -5.065 25423 1476 1 11 . 1 1 67 67 THR HA H 67 4.232 4.232 4.228 0.004 25423 1477 1 11 . 1 1 67 67 THR CA C 67 61.824 61.824 63.533 -1.709 25423 1478 1 11 . 1 1 67 67 THR CB C 67 68.103 68.103 68.120 -0.017 25423 1479 1 11 . 1 1 68 68 GLU N N 68 122.788 122.788 121.905 0.883 25423 1480 1 11 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.592 0.331 25423 1481 1 11 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.869 -1.532 25423 1482 1 11 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.575 -1.288 25423 1483 1 11 . 1 1 68 68 GLU H H 68 7.879 7.879 8.281 -0.402 25423 1484 1 11 . 1 1 69 69 LYS N N 69 121.136 121.136 119.618 1.518 25423 1485 1 11 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.910 -0.476 25423 1486 1 11 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.456 0.954 25423 1487 1 11 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.556 0.744 25423 1488 1 11 . 1 1 69 69 LYS H H 69 7.627 7.627 7.852 -0.225 25423 1489 1 11 . 1 1 70 70 GLN N N 70 117.013 117.013 118.795 -1.782 25423 1490 1 11 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.023 -0.105 25423 1491 1 11 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.066 -0.403 25423 1492 1 11 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.199 -0.446 25423 1493 1 11 . 1 1 71 71 ILE N N 71 119.588 119.588 118.596 0.992 25423 1494 1 11 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.742 0.013 25423 1495 1 11 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.357 -0.512 25423 1496 1 11 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.579 0.058 25423 1497 1 11 . 1 1 72 72 PHE N N 72 122.393 122.393 121.433 0.960 25423 1498 1 11 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.409 -0.442 25423 1499 1 11 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.030 -0.594 25423 1500 1 11 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.551 -1.145 25423 1501 1 11 . 1 1 72 72 PHE H H 72 8.043 8.043 8.338 -0.295 25423 1502 1 11 . 1 1 73 73 GLU N N 73 119.350 119.350 118.379 0.971 25423 1503 1 11 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.676 -0.441 25423 1504 1 11 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.607 -0.231 25423 1505 1 11 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.143 -0.674 25423 1506 1 11 . 1 1 73 73 GLU H H 73 8.307 8.307 7.691 0.616 25423 1507 1 11 . 1 1 74 74 ASP N N 74 120.085 120.085 119.875 0.210 25423 1508 1 11 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.445 -0.077 25423 1509 1 11 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.071 -0.182 25423 1510 1 11 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.829 -0.618 25423 1511 1 11 . 1 1 74 74 ASP H H 74 8.130 8.130 7.728 0.402 25423 1512 1 11 . 1 1 75 75 HIS N N 75 120.712 120.712 120.455 0.257 25423 1513 1 11 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.306 -0.318 25423 1514 1 11 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.817 -0.088 25423 1515 1 11 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.268 -2.988 25423 1516 1 11 . 1 1 75 75 HIS H H 75 8.037 8.037 8.236 -0.199 25423 1517 1 11 . 1 1 76 76 VAL N N 76 119.276 119.276 119.290 -0.014 25423 1518 1 11 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.946 -0.508 25423 1519 1 11 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.635 0.409 25423 1520 1 11 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.626 0.022 25423 1521 1 11 . 1 1 77 77 PHE N N 77 120.883 120.883 119.584 1.299 25423 1522 1 11 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.131 0.053 25423 1523 1 11 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.494 -0.956 25423 1524 1 11 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.967 -0.351 25423 1525 1 11 . 1 1 77 77 PHE H H 77 7.950 7.950 7.950 0.000 25423 1526 1 11 . 1 1 78 78 CYS N N 78 116.956 116.956 117.181 -0.225 25423 1527 1 11 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.895 0.035 25423 1528 1 11 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.523 -1.148 25423 1529 1 11 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.136 -1.041 25423 1530 1 11 . 1 1 78 78 CYS H H 78 8.017 8.017 7.661 0.356 25423 1531 1 11 . 1 1 79 79 HIS N N 79 117.041 117.041 118.316 -1.275 25423 1532 1 11 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.339 0.048 25423 1533 1 11 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.764 -0.855 25423 1534 1 11 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.308 -0.833 25423 1535 1 11 . 1 1 79 79 HIS H H 79 7.229 7.229 7.603 -0.374 25423 1536 1 11 . 1 1 80 80 SER N N 80 114.684 114.684 113.950 0.734 25423 1537 1 11 . 1 1 80 80 SER HA H 80 4.343 4.343 4.297 0.046 25423 1538 1 11 . 1 1 80 80 SER CA C 80 58.448 58.448 59.542 -1.094 25423 1539 1 11 . 1 1 80 80 SER CB C 80 63.471 63.471 63.410 0.062 25423 1540 1 11 . 1 1 80 80 SER H H 80 7.902 7.902 7.624 0.278 25423 1541 1 12 . 1 1 50 50 MET N N 50 120.051 120.051 118.258 1.793 25423 1542 1 12 . 1 1 50 50 MET HA H 50 4.354 4.354 4.451 -0.097 25423 1543 1 12 . 1 1 50 50 MET CA C 50 55.149 55.149 56.013 -0.864 25423 1544 1 12 . 1 1 50 50 MET CB C 50 32.514 32.514 33.966 -1.452 25423 1545 1 12 . 1 1 50 50 MET H H 50 7.944 7.944 8.080 -0.136 25423 1546 1 12 . 1 1 51 51 GLN N N 51 122.311 122.311 120.088 2.223 25423 1547 1 12 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.111 0.403 25423 1548 1 12 . 1 1 51 51 GLN CA C 51 53.303 53.303 56.599 -3.296 25423 1549 1 12 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.235 0.547 25423 1550 1 12 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.301 0.006 25423 1551 1 12 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.576 -1.095 25423 1552 1 12 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.969 -0.119 25423 1553 1 12 . 1 1 53 53 LEU N N 53 121.833 121.833 115.713 6.120 25423 1554 1 12 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.961 0.190 25423 1555 1 12 . 1 1 53 53 LEU CA C 53 54.932 54.932 56.071 -1.139 25423 1556 1 12 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.095 0.879 25423 1557 1 12 . 1 1 54 54 CYS N N 54 115.819 115.819 111.216 4.603 25423 1558 1 12 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.659 -0.264 25423 1559 1 12 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.540 -1.358 25423 1560 1 12 . 1 1 54 54 CYS CB C 54 29.869 29.869 28.848 1.021 25423 1561 1 12 . 1 1 54 54 CYS H H 54 7.719 7.719 7.231 0.488 25423 1562 1 12 . 1 1 55 55 PHE N N 55 119.044 119.044 117.598 1.446 25423 1563 1 12 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.468 0.030 25423 1564 1 12 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.654 -0.964 25423 1565 1 12 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.721 -2.740 25423 1566 1 12 . 1 1 55 55 PHE H H 55 8.790 8.790 8.954 -0.164 25423 1567 1 12 . 1 1 56 56 ASN N N 56 119.254 119.254 120.538 -1.284 25423 1568 1 12 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.115 0.220 25423 1569 1 12 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.324 -1.077 25423 1570 1 12 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.424 -0.121 25423 1571 1 12 . 1 1 57 57 CYS N N 57 127.439 127.439 126.311 1.128 25423 1572 1 12 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.194 -0.289 25423 1573 1 12 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.457 0.959 25423 1574 1 12 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.367 1.420 25423 1575 1 12 . 1 1 57 57 CYS H H 57 9.404 9.404 9.270 0.134 25423 1576 1 12 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.571 0.003 25423 1577 1 12 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.083 -0.287 25423 1578 1 12 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.358 0.554 25423 1579 1 12 . 1 1 59 59 ILE N N 59 122.515 122.515 118.934 3.581 25423 1580 1 12 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.132 -0.213 25423 1581 1 12 . 1 1 59 59 ILE CA C 59 62.084 62.084 62.364 -0.279 25423 1582 1 12 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.586 -0.037 25423 1583 1 12 . 1 1 60 60 CYS N N 60 119.620 119.620 115.483 4.137 25423 1584 1 12 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.914 0.209 25423 1585 1 12 . 1 1 60 60 CYS CA C 60 57.924 57.924 57.932 -0.008 25423 1586 1 12 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.134 1.722 25423 1587 1 12 . 1 1 60 60 CYS H H 60 8.450 8.450 7.820 0.630 25423 1588 1 12 . 1 1 61 61 ASP N N 61 119.453 119.453 117.990 1.463 25423 1589 1 12 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.683 -0.009 25423 1590 1 12 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.336 0.562 25423 1591 1 12 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.912 1.537 25423 1592 1 12 . 1 1 61 61 ASP H H 61 8.069 8.069 8.374 -0.305 25423 1593 1 12 . 1 1 62 62 LYS N N 62 122.865 122.865 119.891 2.974 25423 1594 1 12 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.230 -0.229 25423 1595 1 12 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.102 1.042 25423 1596 1 12 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.178 0.693 25423 1597 1 12 . 1 1 62 62 LYS H H 62 8.126 8.126 7.762 0.364 25423 1598 1 12 . 1 1 63 63 ILE N N 63 123.398 123.398 123.300 0.098 25423 1599 1 12 . 1 1 63 63 ILE HA H 63 4.844 4.844 5.054 -0.210 25423 1600 1 12 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.359 -0.504 25423 1601 1 12 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.154 -0.245 25423 1602 1 12 . 1 1 64 64 PHE N N 64 124.921 124.921 121.979 2.942 25423 1603 1 12 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.998 -0.133 25423 1604 1 12 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.509 -1.240 25423 1605 1 12 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.578 -1.185 25423 1606 1 12 . 1 1 64 64 PHE H H 64 9.054 9.054 8.904 0.150 25423 1607 1 12 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.565 0.046 25423 1608 1 12 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.456 -0.406 25423 1609 1 12 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.265 0.360 25423 1610 1 12 . 1 1 66 66 ALA N N 66 121.923 121.923 125.315 -3.392 25423 1611 1 12 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.049 -0.270 25423 1612 1 12 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.066 -1.204 25423 1613 1 12 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.791 -0.647 25423 1614 1 12 . 1 1 66 66 ALA H H 66 8.271 8.271 8.019 0.252 25423 1615 1 12 . 1 1 67 67 THR N N 67 104.076 104.076 108.994 -4.918 25423 1616 1 12 . 1 1 67 67 THR HA H 67 4.232 4.232 4.146 0.086 25423 1617 1 12 . 1 1 67 67 THR CA C 67 61.824 61.824 64.240 -2.416 25423 1618 1 12 . 1 1 67 67 THR CB C 67 68.103 68.103 68.703 -0.600 25423 1619 1 12 . 1 1 68 68 GLU N N 68 122.788 122.788 120.785 2.003 25423 1620 1 12 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.638 0.285 25423 1621 1 12 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.175 -0.838 25423 1622 1 12 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.825 -0.537 25423 1623 1 12 . 1 1 68 68 GLU H H 68 7.879 7.879 7.869 0.010 25423 1624 1 12 . 1 1 69 69 LYS N N 69 121.136 121.136 120.854 0.282 25423 1625 1 12 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.114 -0.680 25423 1626 1 12 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.916 0.494 25423 1627 1 12 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.523 -0.223 25423 1628 1 12 . 1 1 69 69 LYS H H 69 7.627 7.627 7.766 -0.139 25423 1629 1 12 . 1 1 70 70 GLN N N 70 117.013 117.013 116.530 0.483 25423 1630 1 12 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.105 -0.187 25423 1631 1 12 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.523 0.140 25423 1632 1 12 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.118 -0.365 25423 1633 1 12 . 1 1 71 71 ILE N N 71 119.588 119.588 121.138 -1.550 25423 1634 1 12 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.723 0.032 25423 1635 1 12 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.140 -0.295 25423 1636 1 12 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.691 -0.054 25423 1637 1 12 . 1 1 72 72 PHE N N 72 122.393 122.393 121.579 0.814 25423 1638 1 12 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.243 -0.276 25423 1639 1 12 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.337 -0.901 25423 1640 1 12 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.683 -1.277 25423 1641 1 12 . 1 1 72 72 PHE H H 72 8.043 8.043 7.922 0.121 25423 1642 1 12 . 1 1 73 73 GLU N N 73 119.350 119.350 119.005 0.345 25423 1643 1 12 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.674 -0.439 25423 1644 1 12 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.485 -0.109 25423 1645 1 12 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.043 -0.574 25423 1646 1 12 . 1 1 73 73 GLU H H 73 8.307 8.307 7.675 0.632 25423 1647 1 12 . 1 1 74 74 ASP N N 74 120.085 120.085 119.700 0.385 25423 1648 1 12 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.345 0.023 25423 1649 1 12 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.415 -0.526 25423 1650 1 12 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.080 -0.869 25423 1651 1 12 . 1 1 74 74 ASP H H 74 8.130 8.130 7.649 0.481 25423 1652 1 12 . 1 1 75 75 HIS N N 75 120.712 120.712 119.842 0.870 25423 1653 1 12 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.233 -0.245 25423 1654 1 12 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.662 0.067 25423 1655 1 12 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.995 -2.715 25423 1656 1 12 . 1 1 75 75 HIS H H 75 8.037 8.037 7.998 0.039 25423 1657 1 12 . 1 1 76 76 VAL N N 76 119.276 119.276 118.828 0.448 25423 1658 1 12 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.853 -0.415 25423 1659 1 12 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.530 0.513 25423 1660 1 12 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.297 0.352 25423 1661 1 12 . 1 1 77 77 PHE N N 77 120.883 120.883 119.422 1.461 25423 1662 1 12 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.160 0.024 25423 1663 1 12 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.462 -0.924 25423 1664 1 12 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.472 0.144 25423 1665 1 12 . 1 1 77 77 PHE H H 77 7.950 7.950 7.947 0.003 25423 1666 1 12 . 1 1 78 78 CYS N N 78 116.956 116.956 117.206 -0.250 25423 1667 1 12 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.972 -0.042 25423 1668 1 12 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.161 -0.786 25423 1669 1 12 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.625 -1.530 25423 1670 1 12 . 1 1 78 78 CYS H H 78 8.017 8.017 7.731 0.286 25423 1671 1 12 . 1 1 79 79 HIS N N 79 117.041 117.041 118.562 -1.521 25423 1672 1 12 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.321 0.066 25423 1673 1 12 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.688 -0.778 25423 1674 1 12 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.257 -0.782 25423 1675 1 12 . 1 1 79 79 HIS H H 79 7.229 7.229 7.543 -0.314 25423 1676 1 12 . 1 1 80 80 SER N N 80 114.684 114.684 113.917 0.767 25423 1677 1 12 . 1 1 80 80 SER HA H 80 4.343 4.343 4.288 0.055 25423 1678 1 12 . 1 1 80 80 SER CA C 80 58.448 58.448 59.694 -1.246 25423 1679 1 12 . 1 1 80 80 SER CB C 80 63.471 63.471 63.450 0.021 25423 1680 1 12 . 1 1 80 80 SER H H 80 7.902 7.902 7.647 0.255 25423 1681 1 13 . 1 1 50 50 MET N N 50 120.051 120.051 120.024 0.027 25423 1682 1 13 . 1 1 50 50 MET HA H 50 4.354 4.354 4.262 0.092 25423 1683 1 13 . 1 1 50 50 MET CA C 50 55.149 55.149 56.192 -1.043 25423 1684 1 13 . 1 1 50 50 MET CB C 50 32.514 32.514 32.159 0.355 25423 1685 1 13 . 1 1 50 50 MET H H 50 7.944 7.944 8.235 -0.291 25423 1686 1 13 . 1 1 51 51 GLN N N 51 122.311 122.311 125.633 -3.322 25423 1687 1 13 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.685 -0.171 25423 1688 1 13 . 1 1 51 51 GLN CA C 51 53.303 53.303 53.857 -0.554 25423 1689 1 13 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.279 -1.497 25423 1690 1 13 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.451 -0.144 25423 1691 1 13 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.320 -0.839 25423 1692 1 13 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.945 0.905 25423 1693 1 13 . 1 1 53 53 LEU N N 53 121.833 121.833 123.337 -1.504 25423 1694 1 13 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.418 -0.267 25423 1695 1 13 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.592 0.340 25423 1696 1 13 . 1 1 53 53 LEU CB C 53 41.974 41.974 43.070 -1.096 25423 1697 1 13 . 1 1 54 54 CYS N N 54 115.819 115.819 113.742 2.077 25423 1698 1 13 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.357 0.038 25423 1699 1 13 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.673 -1.491 25423 1700 1 13 . 1 1 54 54 CYS CB C 54 29.869 29.869 30.200 -0.331 25423 1701 1 13 . 1 1 54 54 CYS H H 54 7.719 7.719 7.463 0.256 25423 1702 1 13 . 1 1 55 55 PHE N N 55 119.044 119.044 121.593 -2.549 25423 1703 1 13 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.473 0.025 25423 1704 1 13 . 1 1 55 55 PHE CA C 55 55.690 55.690 55.915 -0.225 25423 1705 1 13 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.597 -0.617 25423 1706 1 13 . 1 1 55 55 PHE H H 55 8.790 8.790 8.288 0.502 25423 1707 1 13 . 1 1 56 56 ASN N N 56 119.254 119.254 118.810 0.444 25423 1708 1 13 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.958 0.377 25423 1709 1 13 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.199 0.048 25423 1710 1 13 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.397 0.907 25423 1711 1 13 . 1 1 57 57 CYS N N 57 127.439 127.439 123.331 4.108 25423 1712 1 13 . 1 1 57 57 CYS HA H 57 4.905 4.905 4.986 -0.081 25423 1713 1 13 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.478 0.938 25423 1714 1 13 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.665 2.122 25423 1715 1 13 . 1 1 57 57 CYS H H 57 9.404 9.404 8.938 0.466 25423 1716 1 13 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.403 0.171 25423 1717 1 13 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.673 -0.877 25423 1718 1 13 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.725 0.187 25423 1719 1 13 . 1 1 59 59 ILE N N 59 122.515 122.515 119.800 2.715 25423 1720 1 13 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.827 0.092 25423 1721 1 13 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.484 -1.400 25423 1722 1 13 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.834 0.716 25423 1723 1 13 . 1 1 60 60 CYS N N 60 119.620 119.620 113.235 6.385 25423 1724 1 13 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.810 0.313 25423 1725 1 13 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.049 -0.125 25423 1726 1 13 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.360 1.496 25423 1727 1 13 . 1 1 60 60 CYS H H 60 8.450 8.450 7.706 0.744 25423 1728 1 13 . 1 1 61 61 ASP N N 61 119.453 119.453 119.797 -0.344 25423 1729 1 13 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.435 0.239 25423 1730 1 13 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.221 0.677 25423 1731 1 13 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.458 1.991 25423 1732 1 13 . 1 1 61 61 ASP H H 61 8.069 8.069 8.708 -0.639 25423 1733 1 13 . 1 1 62 62 LYS N N 62 122.865 122.865 120.111 2.754 25423 1734 1 13 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.340 -0.339 25423 1735 1 13 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.511 2.633 25423 1736 1 13 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.837 1.034 25423 1737 1 13 . 1 1 62 62 LYS H H 62 8.126 8.126 7.572 0.554 25423 1738 1 13 . 1 1 63 63 ILE N N 63 123.398 123.398 126.265 -2.867 25423 1739 1 13 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.589 0.255 25423 1740 1 13 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.860 -0.005 25423 1741 1 13 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.587 0.322 25423 1742 1 13 . 1 1 64 64 PHE N N 64 124.921 124.921 122.457 2.464 25423 1743 1 13 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.025 -0.160 25423 1744 1 13 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.072 -0.803 25423 1745 1 13 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.533 0.860 25423 1746 1 13 . 1 1 64 64 PHE H H 64 9.054 9.054 8.840 0.214 25423 1747 1 13 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.527 0.084 25423 1748 1 13 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.318 -0.268 25423 1749 1 13 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.157 0.468 25423 1750 1 13 . 1 1 66 66 ALA N N 66 121.923 121.923 124.087 -2.164 25423 1751 1 13 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.435 0.344 25423 1752 1 13 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.780 -0.918 25423 1753 1 13 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.559 -0.416 25423 1754 1 13 . 1 1 66 66 ALA H H 66 8.271 8.271 8.589 -0.318 25423 1755 1 13 . 1 1 67 67 THR N N 67 104.076 104.076 110.022 -5.946 25423 1756 1 13 . 1 1 67 67 THR HA H 67 4.232 4.232 4.129 0.103 25423 1757 1 13 . 1 1 67 67 THR CA C 67 61.824 61.824 64.796 -2.973 25423 1758 1 13 . 1 1 67 67 THR CB C 67 68.103 68.103 68.739 -0.636 25423 1759 1 13 . 1 1 68 68 GLU N N 68 122.788 122.788 121.308 1.480 25423 1760 1 13 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.581 0.342 25423 1761 1 13 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.529 -1.192 25423 1762 1 13 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.374 -1.087 25423 1763 1 13 . 1 1 68 68 GLU H H 68 7.879 7.879 8.116 -0.237 25423 1764 1 13 . 1 1 69 69 LYS N N 69 121.136 121.136 119.403 1.733 25423 1765 1 13 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.290 -0.856 25423 1766 1 13 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.838 0.572 25423 1767 1 13 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.820 0.479 25423 1768 1 13 . 1 1 69 69 LYS H H 69 7.627 7.627 7.679 -0.052 25423 1769 1 13 . 1 1 70 70 GLN N N 70 117.013 117.013 118.983 -1.970 25423 1770 1 13 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.179 -0.261 25423 1771 1 13 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.673 -0.010 25423 1772 1 13 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.448 -0.695 25423 1773 1 13 . 1 1 71 71 ILE N N 71 119.588 119.588 119.537 0.051 25423 1774 1 13 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.728 0.027 25423 1775 1 13 . 1 1 71 71 ILE CA C 71 63.845 63.845 62.040 1.805 25423 1776 1 13 . 1 1 71 71 ILE CB C 71 37.637 37.637 36.638 0.999 25423 1777 1 13 . 1 1 72 72 PHE N N 72 122.393 122.393 121.918 0.475 25423 1778 1 13 . 1 1 72 72 PHE HA H 72 2.967 2.967 4.205 -1.238 25423 1779 1 13 . 1 1 72 72 PHE CA C 72 59.436 59.436 61.683 -2.247 25423 1780 1 13 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.550 -2.144 25423 1781 1 13 . 1 1 72 72 PHE H H 72 8.043 8.043 8.172 -0.129 25423 1782 1 13 . 1 1 73 73 GLU N N 73 119.350 119.350 118.903 0.447 25423 1783 1 13 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.957 -0.722 25423 1784 1 13 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.702 -0.326 25423 1785 1 13 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.276 -0.807 25423 1786 1 13 . 1 1 73 73 GLU H H 73 8.307 8.307 8.014 0.293 25423 1787 1 13 . 1 1 74 74 ASP N N 74 120.085 120.085 119.795 0.290 25423 1788 1 13 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.424 -0.056 25423 1789 1 13 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.118 -0.229 25423 1790 1 13 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.211 -1.000 25423 1791 1 13 . 1 1 74 74 ASP H H 74 8.130 8.130 7.842 0.288 25423 1792 1 13 . 1 1 75 75 HIS N N 75 120.712 120.712 119.995 0.717 25423 1793 1 13 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.239 -0.251 25423 1794 1 13 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.349 0.380 25423 1795 1 13 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.140 -2.860 25423 1796 1 13 . 1 1 75 75 HIS H H 75 8.037 8.037 8.297 -0.260 25423 1797 1 13 . 1 1 76 76 VAL N N 76 119.276 119.276 118.624 0.652 25423 1798 1 13 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.965 -0.527 25423 1799 1 13 . 1 1 76 76 VAL CA C 76 67.043 67.043 65.330 1.713 25423 1800 1 13 . 1 1 76 76 VAL CB C 76 31.648 31.648 30.579 1.069 25423 1801 1 13 . 1 1 77 77 PHE N N 77 120.883 120.883 120.297 0.586 25423 1802 1 13 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.165 0.019 25423 1803 1 13 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.643 -1.105 25423 1804 1 13 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.949 -0.333 25423 1805 1 13 . 1 1 77 77 PHE H H 77 7.950 7.950 7.987 -0.037 25423 1806 1 13 . 1 1 78 78 CYS N N 78 116.956 116.956 116.941 0.015 25423 1807 1 13 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.983 -0.053 25423 1808 1 13 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.310 -0.935 25423 1809 1 13 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.266 -1.171 25423 1810 1 13 . 1 1 78 78 CYS H H 78 8.017 8.017 7.637 0.380 25423 1811 1 13 . 1 1 79 79 HIS N N 79 117.041 117.041 118.625 -1.584 25423 1812 1 13 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.347 0.040 25423 1813 1 13 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.750 -0.840 25423 1814 1 13 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.127 -0.652 25423 1815 1 13 . 1 1 79 79 HIS H H 79 7.229 7.229 7.620 -0.391 25423 1816 1 13 . 1 1 80 80 SER N N 80 114.684 114.684 114.009 0.675 25423 1817 1 13 . 1 1 80 80 SER HA H 80 4.343 4.343 4.254 0.089 25423 1818 1 13 . 1 1 80 80 SER CA C 80 58.448 58.448 59.693 -1.245 25423 1819 1 13 . 1 1 80 80 SER CB C 80 63.471 63.471 63.460 0.011 25423 1820 1 13 . 1 1 80 80 SER H H 80 7.902 7.902 7.638 0.264 25423 1821 1 14 . 1 1 50 50 MET N N 50 120.051 120.051 119.175 0.876 25423 1822 1 14 . 1 1 50 50 MET HA H 50 4.354 4.354 4.498 -0.144 25423 1823 1 14 . 1 1 50 50 MET CA C 50 55.149 55.149 55.884 -0.735 25423 1824 1 14 . 1 1 50 50 MET CB C 50 32.514 32.514 33.962 -1.448 25423 1825 1 14 . 1 1 50 50 MET H H 50 7.944 7.944 8.464 -0.520 25423 1826 1 14 . 1 1 51 51 GLN N N 51 122.311 122.311 123.159 -0.848 25423 1827 1 14 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.259 0.255 25423 1828 1 14 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.359 -2.056 25423 1829 1 14 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.355 0.426 25423 1830 1 14 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.211 0.096 25423 1831 1 14 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.573 -0.092 25423 1832 1 14 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.314 -0.464 25423 1833 1 14 . 1 1 53 53 LEU N N 53 121.833 121.833 118.564 3.269 25423 1834 1 14 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.922 0.229 25423 1835 1 14 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.503 -0.571 25423 1836 1 14 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.803 1.171 25423 1837 1 14 . 1 1 54 54 CYS N N 54 115.819 115.819 114.852 0.967 25423 1838 1 14 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.508 -0.113 25423 1839 1 14 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.725 -1.543 25423 1840 1 14 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.209 -1.340 25423 1841 1 14 . 1 1 54 54 CYS H H 54 7.719 7.719 7.337 0.382 25423 1842 1 14 . 1 1 55 55 PHE N N 55 119.044 119.044 118.377 0.667 25423 1843 1 14 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.418 0.080 25423 1844 1 14 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.990 -1.300 25423 1845 1 14 . 1 1 55 55 PHE CB C 55 39.981 39.981 43.084 -3.103 25423 1846 1 14 . 1 1 55 55 PHE H H 55 8.790 8.790 9.135 -0.345 25423 1847 1 14 . 1 1 56 56 ASN N N 56 119.254 119.254 119.984 -0.730 25423 1848 1 14 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.236 0.099 25423 1849 1 14 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.162 -0.915 25423 1850 1 14 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.977 0.326 25423 1851 1 14 . 1 1 57 57 CYS N N 57 127.439 127.439 125.234 2.205 25423 1852 1 14 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.297 -0.392 25423 1853 1 14 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.717 0.699 25423 1854 1 14 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.049 1.738 25423 1855 1 14 . 1 1 57 57 CYS H H 57 9.404 9.404 8.505 0.899 25423 1856 1 14 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.416 0.158 25423 1857 1 14 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.737 -0.941 25423 1858 1 14 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.801 0.111 25423 1859 1 14 . 1 1 59 59 ILE N N 59 122.515 122.515 118.952 3.563 25423 1860 1 14 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.877 0.042 25423 1861 1 14 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.386 -1.302 25423 1862 1 14 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.912 0.637 25423 1863 1 14 . 1 1 60 60 CYS N N 60 119.620 119.620 113.014 6.606 25423 1864 1 14 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.810 0.313 25423 1865 1 14 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.024 -0.100 25423 1866 1 14 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.057 1.799 25423 1867 1 14 . 1 1 60 60 CYS H H 60 8.450 8.450 7.762 0.688 25423 1868 1 14 . 1 1 61 61 ASP N N 61 119.453 119.453 118.884 0.569 25423 1869 1 14 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.414 0.260 25423 1870 1 14 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.463 0.435 25423 1871 1 14 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.373 2.076 25423 1872 1 14 . 1 1 61 61 ASP H H 61 8.069 8.069 8.719 -0.650 25423 1873 1 14 . 1 1 62 62 LYS N N 62 122.865 122.865 119.375 3.490 25423 1874 1 14 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.102 -0.101 25423 1875 1 14 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.080 1.064 25423 1876 1 14 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.343 0.528 25423 1877 1 14 . 1 1 62 62 LYS H H 62 8.126 8.126 7.939 0.187 25423 1878 1 14 . 1 1 63 63 ILE N N 63 123.398 123.398 118.570 4.828 25423 1879 1 14 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.622 0.222 25423 1880 1 14 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.586 0.269 25423 1881 1 14 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.023 -1.114 25423 1882 1 14 . 1 1 64 64 PHE N N 64 124.921 124.921 122.861 2.060 25423 1883 1 14 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.131 -0.266 25423 1884 1 14 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.005 -0.736 25423 1885 1 14 . 1 1 64 64 PHE CB C 64 41.393 41.393 40.278 1.115 25423 1886 1 14 . 1 1 64 64 PHE H H 64 9.054 9.054 8.816 0.238 25423 1887 1 14 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.529 0.082 25423 1888 1 14 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.416 -0.366 25423 1889 1 14 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.461 0.164 25423 1890 1 14 . 1 1 66 66 ALA N N 66 121.923 121.923 123.058 -1.135 25423 1891 1 14 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.865 -0.086 25423 1892 1 14 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.195 -1.333 25423 1893 1 14 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.603 -0.459 25423 1894 1 14 . 1 1 66 66 ALA H H 66 8.271 8.271 8.153 0.118 25423 1895 1 14 . 1 1 67 67 THR N N 67 104.076 104.076 108.733 -4.657 25423 1896 1 14 . 1 1 67 67 THR HA H 67 4.232 4.232 4.273 -0.041 25423 1897 1 14 . 1 1 67 67 THR CA C 67 61.824 61.824 63.431 -1.607 25423 1898 1 14 . 1 1 67 67 THR CB C 67 68.103 68.103 68.464 -0.361 25423 1899 1 14 . 1 1 68 68 GLU N N 68 122.788 122.788 121.790 0.998 25423 1900 1 14 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.619 0.304 25423 1901 1 14 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.031 -0.694 25423 1902 1 14 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.936 -0.649 25423 1903 1 14 . 1 1 68 68 GLU H H 68 7.879 7.879 8.199 -0.320 25423 1904 1 14 . 1 1 69 69 LYS N N 69 121.136 121.136 119.752 1.384 25423 1905 1 14 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.196 0.238 25423 1906 1 14 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.898 0.512 25423 1907 1 14 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.609 0.691 25423 1908 1 14 . 1 1 69 69 LYS H H 69 7.627 7.627 7.669 -0.042 25423 1909 1 14 . 1 1 70 70 GLN N N 70 117.013 117.013 118.065 -1.052 25423 1910 1 14 . 1 1 70 70 GLN HA H 70 3.918 3.918 3.952 -0.034 25423 1911 1 14 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.000 -0.337 25423 1912 1 14 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.250 -0.497 25423 1913 1 14 . 1 1 71 71 ILE N N 71 119.588 119.588 118.916 0.672 25423 1914 1 14 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.812 -0.057 25423 1915 1 14 . 1 1 71 71 ILE CA C 71 63.845 63.845 62.172 1.673 25423 1916 1 14 . 1 1 71 71 ILE CB C 71 37.637 37.637 36.456 1.181 25423 1917 1 14 . 1 1 72 72 PHE N N 72 122.393 122.393 121.727 0.666 25423 1918 1 14 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.180 -0.213 25423 1919 1 14 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.093 -0.657 25423 1920 1 14 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.131 -0.725 25423 1921 1 14 . 1 1 72 72 PHE H H 72 8.043 8.043 8.391 -0.348 25423 1922 1 14 . 1 1 73 73 GLU N N 73 119.350 119.350 118.276 1.074 25423 1923 1 14 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.641 -0.406 25423 1924 1 14 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.599 -0.223 25423 1925 1 14 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.092 -0.623 25423 1926 1 14 . 1 1 73 73 GLU H H 73 8.307 8.307 7.631 0.676 25423 1927 1 14 . 1 1 74 74 ASP N N 74 120.085 120.085 119.934 0.151 25423 1928 1 14 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.433 -0.065 25423 1929 1 14 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.300 -0.411 25423 1930 1 14 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.649 -0.438 25423 1931 1 14 . 1 1 74 74 ASP H H 74 8.130 8.130 7.763 0.367 25423 1932 1 14 . 1 1 75 75 HIS N N 75 120.712 120.712 120.218 0.494 25423 1933 1 14 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.314 -0.326 25423 1934 1 14 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.756 -0.027 25423 1935 1 14 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.290 -3.010 25423 1936 1 14 . 1 1 75 75 HIS H H 75 8.037 8.037 8.231 -0.194 25423 1937 1 14 . 1 1 76 76 VAL N N 76 119.276 119.276 118.897 0.379 25423 1938 1 14 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.952 -0.514 25423 1939 1 14 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.634 0.409 25423 1940 1 14 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.413 0.235 25423 1941 1 14 . 1 1 77 77 PHE N N 77 120.883 120.883 120.102 0.781 25423 1942 1 14 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.236 -0.052 25423 1943 1 14 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.140 -0.602 25423 1944 1 14 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.889 -0.273 25423 1945 1 14 . 1 1 77 77 PHE H H 77 7.950 7.950 8.044 -0.094 25423 1946 1 14 . 1 1 78 78 CYS N N 78 116.956 116.956 117.319 -0.363 25423 1947 1 14 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.947 -0.017 25423 1948 1 14 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.263 -0.888 25423 1949 1 14 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.802 -0.707 25423 1950 1 14 . 1 1 78 78 CYS H H 78 8.017 8.017 7.689 0.328 25423 1951 1 14 . 1 1 79 79 HIS N N 79 117.041 117.041 118.200 -1.159 25423 1952 1 14 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.352 0.035 25423 1953 1 14 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.597 -0.687 25423 1954 1 14 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.421 -0.946 25423 1955 1 14 . 1 1 79 79 HIS H H 79 7.229 7.229 7.755 -0.526 25423 1956 1 14 . 1 1 80 80 SER N N 80 114.684 114.684 113.876 0.808 25423 1957 1 14 . 1 1 80 80 SER HA H 80 4.343 4.343 4.273 0.070 25423 1958 1 14 . 1 1 80 80 SER CA C 80 58.448 58.448 59.784 -1.336 25423 1959 1 14 . 1 1 80 80 SER CB C 80 63.471 63.471 63.438 0.033 25423 1960 1 14 . 1 1 80 80 SER H H 80 7.902 7.902 7.713 0.189 25423 1961 1 15 . 1 1 50 50 MET N N 50 120.051 120.051 120.579 -0.528 25423 1962 1 15 . 1 1 50 50 MET HA H 50 4.354 4.354 4.254 0.100 25423 1963 1 15 . 1 1 50 50 MET CA C 50 55.149 55.149 55.605 -0.456 25423 1964 1 15 . 1 1 50 50 MET CB C 50 32.514 32.514 32.801 -0.287 25423 1965 1 15 . 1 1 50 50 MET H H 50 7.944 7.944 8.017 -0.073 25423 1966 1 15 . 1 1 51 51 GLN N N 51 122.311 122.311 121.216 1.095 25423 1967 1 15 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.508 0.006 25423 1968 1 15 . 1 1 51 51 GLN CA C 51 53.303 53.303 56.548 -3.245 25423 1969 1 15 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.239 -0.457 25423 1970 1 15 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.165 0.142 25423 1971 1 15 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.878 -0.397 25423 1972 1 15 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.092 -0.242 25423 1973 1 15 . 1 1 53 53 LEU N N 53 121.833 121.833 115.833 6.000 25423 1974 1 15 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.030 0.121 25423 1975 1 15 . 1 1 53 53 LEU CA C 53 54.932 54.932 56.014 -1.082 25423 1976 1 15 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.856 1.118 25423 1977 1 15 . 1 1 54 54 CYS N N 54 115.819 115.819 112.667 3.152 25423 1978 1 15 . 1 1 54 54 CYS HA H 54 4.395 4.395 5.001 -0.606 25423 1979 1 15 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.013 -0.831 25423 1980 1 15 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.386 0.483 25423 1981 1 15 . 1 1 54 54 CYS H H 54 7.719 7.719 7.070 0.649 25423 1982 1 15 . 1 1 55 55 PHE N N 55 119.044 119.044 115.886 3.158 25423 1983 1 15 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.390 0.108 25423 1984 1 15 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.316 -1.625 25423 1985 1 15 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.508 -2.527 25423 1986 1 15 . 1 1 55 55 PHE H H 55 8.790 8.790 8.925 -0.135 25423 1987 1 15 . 1 1 56 56 ASN N N 56 119.254 119.254 119.011 0.243 25423 1988 1 15 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.216 0.119 25423 1989 1 15 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.353 -1.106 25423 1990 1 15 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.943 0.360 25423 1991 1 15 . 1 1 57 57 CYS N N 57 127.439 127.439 125.625 1.814 25423 1992 1 15 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.088 -0.183 25423 1993 1 15 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.600 0.816 25423 1994 1 15 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.841 1.946 25423 1995 1 15 . 1 1 57 57 CYS H H 57 9.404 9.404 9.368 0.036 25423 1996 1 15 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.414 0.160 25423 1997 1 15 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.723 -0.927 25423 1998 1 15 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.653 0.259 25423 1999 1 15 . 1 1 59 59 ILE N N 59 122.515 122.515 119.298 3.217 25423 2000 1 15 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.924 -0.005 25423 2001 1 15 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.227 -1.143 25423 2002 1 15 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.995 0.554 25423 2003 1 15 . 1 1 60 60 CYS N N 60 119.620 119.620 113.864 5.756 25423 2004 1 15 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.833 0.290 25423 2005 1 15 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.095 -0.171 25423 2006 1 15 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.319 1.537 25423 2007 1 15 . 1 1 60 60 CYS H H 60 8.450 8.450 7.744 0.706 25423 2008 1 15 . 1 1 61 61 ASP N N 61 119.453 119.453 119.459 -0.006 25423 2009 1 15 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.518 0.156 25423 2010 1 15 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.312 0.586 25423 2011 1 15 . 1 1 61 61 ASP CB C 61 40.449 40.449 38.657 1.792 25423 2012 1 15 . 1 1 61 61 ASP H H 61 8.069 8.069 8.795 -0.726 25423 2013 1 15 . 1 1 62 62 LYS N N 62 122.865 122.865 119.717 3.148 25423 2014 1 15 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.397 -0.396 25423 2015 1 15 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.905 2.239 25423 2016 1 15 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.169 0.702 25423 2017 1 15 . 1 1 62 62 LYS H H 62 8.126 8.126 7.908 0.218 25423 2018 1 15 . 1 1 63 63 ILE N N 63 123.398 123.398 124.349 -0.951 25423 2019 1 15 . 1 1 63 63 ILE HA H 63 4.844 4.844 5.049 -0.205 25423 2020 1 15 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.589 -0.734 25423 2021 1 15 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.656 0.253 25423 2022 1 15 . 1 1 64 64 PHE N N 64 124.921 124.921 122.122 2.799 25423 2023 1 15 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.987 -0.122 25423 2024 1 15 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.437 -1.168 25423 2025 1 15 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.574 -1.181 25423 2026 1 15 . 1 1 64 64 PHE H H 64 9.054 9.054 8.826 0.228 25423 2027 1 15 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.583 0.028 25423 2028 1 15 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.751 -0.701 25423 2029 1 15 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.309 0.316 25423 2030 1 15 . 1 1 66 66 ALA N N 66 121.923 121.923 124.442 -2.519 25423 2031 1 15 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.200 -0.421 25423 2032 1 15 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.454 -1.592 25423 2033 1 15 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.686 -0.542 25423 2034 1 15 . 1 1 66 66 ALA H H 66 8.271 8.271 8.350 -0.079 25423 2035 1 15 . 1 1 67 67 THR N N 67 104.076 104.076 109.623 -5.547 25423 2036 1 15 . 1 1 67 67 THR HA H 67 4.232 4.232 4.262 -0.030 25423 2037 1 15 . 1 1 67 67 THR CA C 67 61.824 61.824 63.412 -1.588 25423 2038 1 15 . 1 1 67 67 THR CB C 67 68.103 68.103 68.232 -0.129 25423 2039 1 15 . 1 1 68 68 GLU N N 68 122.788 122.788 121.173 1.615 25423 2040 1 15 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.681 0.242 25423 2041 1 15 . 1 1 68 68 GLU CA C 68 54.337 54.337 54.706 -0.369 25423 2042 1 15 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.946 -0.659 25423 2043 1 15 . 1 1 68 68 GLU H H 68 7.879 7.879 8.450 -0.571 25423 2044 1 15 . 1 1 69 69 LYS N N 69 121.136 121.136 120.722 0.414 25423 2045 1 15 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.684 -0.250 25423 2046 1 15 . 1 1 69 69 LYS CA C 69 60.410 60.410 60.066 0.343 25423 2047 1 15 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.341 -0.041 25423 2048 1 15 . 1 1 69 69 LYS H H 69 7.627 7.627 7.562 0.065 25423 2049 1 15 . 1 1 70 70 GLN N N 70 117.013 117.013 117.736 -0.723 25423 2050 1 15 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.056 -0.138 25423 2051 1 15 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.792 -0.129 25423 2052 1 15 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.058 -0.305 25423 2053 1 15 . 1 1 71 71 ILE N N 71 119.588 119.588 119.368 0.220 25423 2054 1 15 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.769 -0.014 25423 2055 1 15 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.471 -0.626 25423 2056 1 15 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.774 -0.137 25423 2057 1 15 . 1 1 72 72 PHE N N 72 122.393 122.393 121.526 0.867 25423 2058 1 15 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.103 -0.136 25423 2059 1 15 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.866 -1.430 25423 2060 1 15 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.691 -1.286 25423 2061 1 15 . 1 1 72 72 PHE H H 72 8.043 8.043 8.460 -0.417 25423 2062 1 15 . 1 1 73 73 GLU N N 73 119.350 119.350 118.994 0.356 25423 2063 1 15 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.714 -0.479 25423 2064 1 15 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.460 -0.084 25423 2065 1 15 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.435 -0.966 25423 2066 1 15 . 1 1 73 73 GLU H H 73 8.307 8.307 7.635 0.672 25423 2067 1 15 . 1 1 74 74 ASP N N 74 120.085 120.085 119.734 0.351 25423 2068 1 15 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.549 -0.181 25423 2069 1 15 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.341 -0.452 25423 2070 1 15 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.764 -0.554 25423 2071 1 15 . 1 1 74 74 ASP H H 74 8.130 8.130 7.746 0.384 25423 2072 1 15 . 1 1 75 75 HIS N N 75 120.712 120.712 120.126 0.586 25423 2073 1 15 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.196 -0.208 25423 2074 1 15 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.800 -0.071 25423 2075 1 15 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.960 -2.680 25423 2076 1 15 . 1 1 75 75 HIS H H 75 8.037 8.037 8.129 -0.092 25423 2077 1 15 . 1 1 76 76 VAL N N 76 119.276 119.276 119.027 0.249 25423 2078 1 15 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.839 -0.401 25423 2079 1 15 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.551 0.492 25423 2080 1 15 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.163 0.485 25423 2081 1 15 . 1 1 77 77 PHE N N 77 120.883 120.883 118.820 2.063 25423 2082 1 15 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.149 0.035 25423 2083 1 15 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.668 -1.130 25423 2084 1 15 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.558 0.058 25423 2085 1 15 . 1 1 77 77 PHE H H 77 7.950 7.950 7.818 0.132 25423 2086 1 15 . 1 1 78 78 CYS N N 78 116.956 116.956 117.325 -0.369 25423 2087 1 15 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.990 -0.060 25423 2088 1 15 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.477 -1.102 25423 2089 1 15 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.776 -1.681 25423 2090 1 15 . 1 1 78 78 CYS H H 78 8.017 8.017 7.687 0.330 25423 2091 1 15 . 1 1 79 79 HIS N N 79 117.041 117.041 118.443 -1.402 25423 2092 1 15 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.349 0.038 25423 2093 1 15 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.898 -0.987 25423 2094 1 15 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.243 -0.768 25423 2095 1 15 . 1 1 79 79 HIS H H 79 7.229 7.229 7.623 -0.394 25423 2096 1 15 . 1 1 80 80 SER N N 80 114.684 114.684 114.118 0.566 25423 2097 1 15 . 1 1 80 80 SER HA H 80 4.343 4.343 4.316 0.027 25423 2098 1 15 . 1 1 80 80 SER CA C 80 58.448 58.448 59.576 -1.128 25423 2099 1 15 . 1 1 80 80 SER CB C 80 63.471 63.471 63.685 -0.214 25423 2100 1 15 . 1 1 80 80 SER H H 80 7.902 7.902 7.744 0.158 25423 2101 1 16 . 1 1 50 50 MET N N 50 120.051 120.051 121.071 -1.020 25423 2102 1 16 . 1 1 50 50 MET HA H 50 4.354 4.354 4.747 -0.393 25423 2103 1 16 . 1 1 50 50 MET CA C 50 55.149 55.149 55.433 -0.284 25423 2104 1 16 . 1 1 50 50 MET CB C 50 32.514 32.514 34.663 -2.149 25423 2105 1 16 . 1 1 50 50 MET H H 50 7.944 7.944 8.423 -0.479 25423 2106 1 16 . 1 1 51 51 GLN N N 51 122.311 122.311 122.361 -0.050 25423 2107 1 16 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.712 -0.198 25423 2108 1 16 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.283 -0.980 25423 2109 1 16 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.556 -1.774 25423 2110 1 16 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.294 0.013 25423 2111 1 16 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.373 -0.892 25423 2112 1 16 . 1 1 52 52 PRO CB C 52 31.850 31.850 30.648 1.202 25423 2113 1 16 . 1 1 53 53 LEU N N 53 121.833 121.833 122.422 -0.589 25423 2114 1 16 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.384 -0.233 25423 2115 1 16 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.486 0.446 25423 2116 1 16 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.211 -0.237 25423 2117 1 16 . 1 1 54 54 CYS N N 54 115.819 115.819 114.424 1.395 25423 2118 1 16 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.667 -0.272 25423 2119 1 16 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.119 -0.937 25423 2120 1 16 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.605 0.264 25423 2121 1 16 . 1 1 54 54 CYS H H 54 7.719 7.719 7.276 0.443 25423 2122 1 16 . 1 1 55 55 PHE N N 55 119.044 119.044 119.418 -0.374 25423 2123 1 16 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.320 0.178 25423 2124 1 16 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.903 -1.213 25423 2125 1 16 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.240 -1.259 25423 2126 1 16 . 1 1 55 55 PHE H H 55 8.790 8.790 8.857 -0.067 25423 2127 1 16 . 1 1 56 56 ASN N N 56 119.254 119.254 122.171 -2.917 25423 2128 1 16 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.148 0.187 25423 2129 1 16 . 1 1 56 56 ASN CA C 56 51.247 51.247 53.839 -2.592 25423 2130 1 16 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.285 1.018 25423 2131 1 16 . 1 1 57 57 CYS N N 57 127.439 127.439 125.181 2.258 25423 2132 1 16 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.158 -0.253 25423 2133 1 16 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.462 0.954 25423 2134 1 16 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.484 1.303 25423 2135 1 16 . 1 1 57 57 CYS H H 57 9.404 9.404 9.004 0.400 25423 2136 1 16 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.666 -0.092 25423 2137 1 16 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.036 -0.240 25423 2138 1 16 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.230 0.682 25423 2139 1 16 . 1 1 59 59 ILE N N 59 122.515 122.515 118.116 4.399 25423 2140 1 16 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.158 -0.239 25423 2141 1 16 . 1 1 59 59 ILE CA C 59 62.084 62.084 61.781 0.304 25423 2142 1 16 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.437 0.112 25423 2143 1 16 . 1 1 60 60 CYS N N 60 119.620 119.620 115.527 4.093 25423 2144 1 16 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.831 0.292 25423 2145 1 16 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.244 -0.320 25423 2146 1 16 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.243 1.613 25423 2147 1 16 . 1 1 60 60 CYS H H 60 8.450 8.450 7.987 0.463 25423 2148 1 16 . 1 1 61 61 ASP N N 61 119.453 119.453 120.583 -1.130 25423 2149 1 16 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.541 0.133 25423 2150 1 16 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.503 0.395 25423 2151 1 16 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.531 0.918 25423 2152 1 16 . 1 1 61 61 ASP H H 61 8.069 8.069 8.344 -0.275 25423 2153 1 16 . 1 1 62 62 LYS N N 62 122.865 122.865 118.567 4.298 25423 2154 1 16 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.313 -0.312 25423 2155 1 16 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.167 0.977 25423 2156 1 16 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.559 0.312 25423 2157 1 16 . 1 1 62 62 LYS H H 62 8.126 8.126 7.798 0.328 25423 2158 1 16 . 1 1 63 63 ILE N N 63 123.398 123.398 117.457 5.941 25423 2159 1 16 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.825 0.019 25423 2160 1 16 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.931 -0.076 25423 2161 1 16 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.510 -1.601 25423 2162 1 16 . 1 1 64 64 PHE N N 64 124.921 124.921 122.450 2.471 25423 2163 1 16 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.038 -0.173 25423 2164 1 16 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.253 -0.984 25423 2165 1 16 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.365 -0.972 25423 2166 1 16 . 1 1 64 64 PHE H H 64 9.054 9.054 8.415 0.639 25423 2167 1 16 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.488 0.123 25423 2168 1 16 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.071 -1.021 25423 2169 1 16 . 1 1 65 65 PRO CB C 65 32.625 32.625 31.911 0.714 25423 2170 1 16 . 1 1 66 66 ALA N N 66 121.923 121.923 125.563 -3.640 25423 2171 1 16 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.063 -0.284 25423 2172 1 16 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.064 -1.202 25423 2173 1 16 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.711 -0.567 25423 2174 1 16 . 1 1 66 66 ALA H H 66 8.271 8.271 8.214 0.057 25423 2175 1 16 . 1 1 67 67 THR N N 67 104.076 104.076 109.413 -5.337 25423 2176 1 16 . 1 1 67 67 THR HA H 67 4.232 4.232 4.239 -0.007 25423 2177 1 16 . 1 1 67 67 THR CA C 67 61.824 61.824 64.373 -2.549 25423 2178 1 16 . 1 1 67 67 THR CB C 67 68.103 68.103 68.595 -0.492 25423 2179 1 16 . 1 1 68 68 GLU N N 68 122.788 122.788 121.371 1.417 25423 2180 1 16 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.729 0.194 25423 2181 1 16 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.040 -0.703 25423 2182 1 16 . 1 1 68 68 GLU CB C 68 28.287 28.287 28.771 -0.484 25423 2183 1 16 . 1 1 68 68 GLU H H 68 7.879 7.879 8.085 -0.206 25423 2184 1 16 . 1 1 69 69 LYS N N 69 121.136 121.136 121.492 -0.356 25423 2185 1 16 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.807 -0.373 25423 2186 1 16 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.254 1.157 25423 2187 1 16 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.970 0.330 25423 2188 1 16 . 1 1 69 69 LYS H H 69 7.627 7.627 7.679 -0.052 25423 2189 1 16 . 1 1 70 70 GLN N N 70 117.013 117.013 117.824 -0.811 25423 2190 1 16 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.064 -0.146 25423 2191 1 16 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.029 -0.366 25423 2192 1 16 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.465 -0.712 25423 2193 1 16 . 1 1 71 71 ILE N N 71 119.588 119.588 119.689 -0.101 25423 2194 1 16 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.770 -0.015 25423 2195 1 16 . 1 1 71 71 ILE CA C 71 63.845 63.845 62.740 1.105 25423 2196 1 16 . 1 1 71 71 ILE CB C 71 37.637 37.637 36.794 0.843 25423 2197 1 16 . 1 1 72 72 PHE N N 72 122.393 122.393 121.223 1.170 25423 2198 1 16 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.280 -0.313 25423 2199 1 16 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.683 -1.247 25423 2200 1 16 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.062 -1.656 25423 2201 1 16 . 1 1 72 72 PHE H H 72 8.043 8.043 8.064 -0.021 25423 2202 1 16 . 1 1 73 73 GLU N N 73 119.350 119.350 119.665 -0.315 25423 2203 1 16 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.815 -0.580 25423 2204 1 16 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.825 -0.449 25423 2205 1 16 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.313 -0.844 25423 2206 1 16 . 1 1 73 73 GLU H H 73 8.307 8.307 7.677 0.630 25423 2207 1 16 . 1 1 74 74 ASP N N 74 120.085 120.085 119.695 0.390 25423 2208 1 16 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.360 0.008 25423 2209 1 16 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.812 -0.923 25423 2210 1 16 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.854 -0.643 25423 2211 1 16 . 1 1 74 74 ASP H H 74 8.130 8.130 7.809 0.321 25423 2212 1 16 . 1 1 75 75 HIS N N 75 120.712 120.712 119.853 0.859 25423 2213 1 16 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.173 -0.185 25423 2214 1 16 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.687 0.042 25423 2215 1 16 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.922 -2.642 25423 2216 1 16 . 1 1 75 75 HIS H H 75 8.037 8.037 7.858 0.179 25423 2217 1 16 . 1 1 76 76 VAL N N 76 119.276 119.276 119.122 0.154 25423 2218 1 16 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.824 -0.386 25423 2219 1 16 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.854 0.189 25423 2220 1 16 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.435 0.213 25423 2221 1 16 . 1 1 77 77 PHE N N 77 120.883 120.883 119.541 1.342 25423 2222 1 16 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.116 0.068 25423 2223 1 16 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.076 -0.538 25423 2224 1 16 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.893 -0.277 25423 2225 1 16 . 1 1 77 77 PHE H H 77 7.950 7.950 7.923 0.027 25423 2226 1 16 . 1 1 78 78 CYS N N 78 116.956 116.956 117.542 -0.586 25423 2227 1 16 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.051 -0.121 25423 2228 1 16 . 1 1 78 78 CYS CA C 78 62.375 62.375 62.901 -0.526 25423 2229 1 16 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.426 -1.331 25423 2230 1 16 . 1 1 78 78 CYS H H 78 8.017 8.017 7.666 0.351 25423 2231 1 16 . 1 1 79 79 HIS N N 79 117.041 117.041 118.089 -1.048 25423 2232 1 16 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.342 0.045 25423 2233 1 16 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.640 -0.730 25423 2234 1 16 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.128 -0.653 25423 2235 1 16 . 1 1 79 79 HIS H H 79 7.229 7.229 7.603 -0.374 25423 2236 1 16 . 1 1 80 80 SER N N 80 114.684 114.684 113.865 0.819 25423 2237 1 16 . 1 1 80 80 SER HA H 80 4.343 4.343 4.224 0.119 25423 2238 1 16 . 1 1 80 80 SER CA C 80 58.448 58.448 59.288 -0.840 25423 2239 1 16 . 1 1 80 80 SER CB C 80 63.471 63.471 63.362 0.109 25423 2240 1 16 . 1 1 80 80 SER H H 80 7.902 7.902 7.582 0.320 25423 2241 1 17 . 1 1 50 50 MET N N 50 120.051 120.051 120.163 -0.112 25423 2242 1 17 . 1 1 50 50 MET HA H 50 4.354 4.354 4.617 -0.263 25423 2243 1 17 . 1 1 50 50 MET CA C 50 55.149 55.149 55.623 -0.474 25423 2244 1 17 . 1 1 50 50 MET CB C 50 32.514 32.514 33.569 -1.055 25423 2245 1 17 . 1 1 50 50 MET H H 50 7.944 7.944 8.479 -0.535 25423 2246 1 17 . 1 1 51 51 GLN N N 51 122.311 122.311 117.445 4.866 25423 2247 1 17 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.204 0.310 25423 2248 1 17 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.798 -2.495 25423 2249 1 17 . 1 1 51 51 GLN CB C 51 28.782 28.782 28.282 0.500 25423 2250 1 17 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.407 -0.100 25423 2251 1 17 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.684 -1.203 25423 2252 1 17 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.029 -0.179 25423 2253 1 17 . 1 1 53 53 LEU N N 53 121.833 121.833 118.076 3.757 25423 2254 1 17 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.225 -0.074 25423 2255 1 17 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.085 -0.153 25423 2256 1 17 . 1 1 53 53 LEU CB C 53 41.974 41.974 42.304 -0.330 25423 2257 1 17 . 1 1 54 54 CYS N N 54 115.819 115.819 115.318 0.501 25423 2258 1 17 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.164 0.231 25423 2259 1 17 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.044 -0.862 25423 2260 1 17 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.825 -1.956 25423 2261 1 17 . 1 1 54 54 CYS H H 54 7.719 7.719 7.059 0.660 25423 2262 1 17 . 1 1 55 55 PHE N N 55 119.044 119.044 117.872 1.172 25423 2263 1 17 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.483 0.015 25423 2264 1 17 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.267 -0.578 25423 2265 1 17 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.683 -0.702 25423 2266 1 17 . 1 1 55 55 PHE H H 55 8.790 8.790 8.789 0.001 25423 2267 1 17 . 1 1 56 56 ASN N N 56 119.254 119.254 121.536 -2.282 25423 2268 1 17 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.286 0.049 25423 2269 1 17 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.965 -0.718 25423 2270 1 17 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.141 1.162 25423 2271 1 17 . 1 1 57 57 CYS N N 57 127.439 127.439 124.945 2.494 25423 2272 1 17 . 1 1 57 57 CYS HA H 57 4.905 4.905 4.984 -0.079 25423 2273 1 17 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.610 0.806 25423 2274 1 17 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.795 1.992 25423 2275 1 17 . 1 1 57 57 CYS H H 57 9.404 9.404 8.487 0.917 25423 2276 1 17 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.418 0.156 25423 2277 1 17 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.705 -0.909 25423 2278 1 17 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.759 0.153 25423 2279 1 17 . 1 1 59 59 ILE N N 59 122.515 122.515 119.618 2.897 25423 2280 1 17 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.884 0.035 25423 2281 1 17 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.240 -1.157 25423 2282 1 17 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.842 0.707 25423 2283 1 17 . 1 1 60 60 CYS N N 60 119.620 119.620 114.354 5.266 25423 2284 1 17 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.753 0.370 25423 2285 1 17 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.235 -0.311 25423 2286 1 17 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.604 2.252 25423 2287 1 17 . 1 1 60 60 CYS H H 60 8.450 8.450 7.761 0.689 25423 2288 1 17 . 1 1 61 61 ASP N N 61 119.453 119.453 119.949 -0.496 25423 2289 1 17 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.414 0.260 25423 2290 1 17 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.423 0.475 25423 2291 1 17 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.481 0.968 25423 2292 1 17 . 1 1 61 61 ASP H H 61 8.069 8.069 8.529 -0.460 25423 2293 1 17 . 1 1 62 62 LYS N N 62 122.865 122.865 118.024 4.841 25423 2294 1 17 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.431 -0.430 25423 2295 1 17 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.800 2.344 25423 2296 1 17 . 1 1 62 62 LYS CB C 62 33.871 33.871 34.156 -0.285 25423 2297 1 17 . 1 1 62 62 LYS H H 62 8.126 8.126 7.731 0.395 25423 2298 1 17 . 1 1 63 63 ILE N N 63 123.398 123.398 117.714 5.684 25423 2299 1 17 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.776 0.068 25423 2300 1 17 . 1 1 63 63 ILE CA C 63 59.855 59.855 60.060 -0.205 25423 2301 1 17 . 1 1 63 63 ILE CB C 63 39.909 39.909 42.133 -2.224 25423 2302 1 17 . 1 1 64 64 PHE N N 64 124.921 124.921 122.492 2.429 25423 2303 1 17 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.083 -0.218 25423 2304 1 17 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.485 -1.216 25423 2305 1 17 . 1 1 64 64 PHE CB C 64 41.393 41.393 43.130 -1.737 25423 2306 1 17 . 1 1 64 64 PHE H H 64 9.054 9.054 9.013 0.041 25423 2307 1 17 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.136 0.475 25423 2308 1 17 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.855 -0.805 25423 2309 1 17 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.093 0.532 25423 2310 1 17 . 1 1 66 66 ALA N N 66 121.923 121.923 124.428 -2.505 25423 2311 1 17 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.330 0.449 25423 2312 1 17 . 1 1 66 66 ALA CA C 66 53.862 53.862 54.751 -0.889 25423 2313 1 17 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.626 -0.482 25423 2314 1 17 . 1 1 66 66 ALA H H 66 8.271 8.271 8.429 -0.158 25423 2315 1 17 . 1 1 67 67 THR N N 67 104.076 104.076 109.288 -5.212 25423 2316 1 17 . 1 1 67 67 THR HA H 67 4.232 4.232 4.208 0.024 25423 2317 1 17 . 1 1 67 67 THR CA C 67 61.824 61.824 64.228 -2.404 25423 2318 1 17 . 1 1 67 67 THR CB C 67 68.103 68.103 68.763 -0.660 25423 2319 1 17 . 1 1 68 68 GLU N N 68 122.788 122.788 120.977 1.811 25423 2320 1 17 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.654 0.269 25423 2321 1 17 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.478 -1.141 25423 2322 1 17 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.319 -1.032 25423 2323 1 17 . 1 1 68 68 GLU H H 68 7.879 7.879 7.796 0.083 25423 2324 1 17 . 1 1 69 69 LYS N N 69 121.136 121.136 121.131 0.005 25423 2325 1 17 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.176 -0.742 25423 2326 1 17 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.805 0.605 25423 2327 1 17 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.459 -0.159 25423 2328 1 17 . 1 1 69 69 LYS H H 69 7.627 7.627 7.918 -0.291 25423 2329 1 17 . 1 1 70 70 GLN N N 70 117.013 117.013 118.470 -1.457 25423 2330 1 17 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.173 -0.255 25423 2331 1 17 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.188 -0.525 25423 2332 1 17 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.427 -0.674 25423 2333 1 17 . 1 1 71 71 ILE N N 71 119.588 119.588 119.684 -0.096 25423 2334 1 17 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.790 -0.035 25423 2335 1 17 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.531 -0.686 25423 2336 1 17 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.820 -0.183 25423 2337 1 17 . 1 1 72 72 PHE N N 72 122.393 122.393 121.281 1.112 25423 2338 1 17 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.163 -0.196 25423 2339 1 17 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.959 -1.523 25423 2340 1 17 . 1 1 72 72 PHE CB C 72 37.406 37.406 39.093 -1.687 25423 2341 1 17 . 1 1 72 72 PHE H H 72 8.043 8.043 8.356 -0.313 25423 2342 1 17 . 1 1 73 73 GLU N N 73 119.350 119.350 119.045 0.305 25423 2343 1 17 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.743 -0.508 25423 2344 1 17 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.410 -0.034 25423 2345 1 17 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.425 -0.956 25423 2346 1 17 . 1 1 73 73 GLU H H 73 8.307 8.307 7.790 0.517 25423 2347 1 17 . 1 1 74 74 ASP N N 74 120.085 120.085 120.080 0.005 25423 2348 1 17 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.563 -0.195 25423 2349 1 17 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.233 -0.344 25423 2350 1 17 . 1 1 74 74 ASP CB C 74 40.211 40.211 41.151 -0.940 25423 2351 1 17 . 1 1 74 74 ASP H H 74 8.130 8.130 7.745 0.385 25423 2352 1 17 . 1 1 75 75 HIS N N 75 120.712 120.712 120.072 0.640 25423 2353 1 17 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.225 -0.237 25423 2354 1 17 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.510 0.219 25423 2355 1 17 . 1 1 75 75 HIS CB C 75 27.280 27.280 29.876 -2.596 25423 2356 1 17 . 1 1 75 75 HIS H H 75 8.037 8.037 8.045 -0.008 25423 2357 1 17 . 1 1 76 76 VAL N N 76 119.276 119.276 118.746 0.530 25423 2358 1 17 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.779 -0.341 25423 2359 1 17 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.385 0.658 25423 2360 1 17 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.176 0.472 25423 2361 1 17 . 1 1 77 77 PHE N N 77 120.883 120.883 118.954 1.929 25423 2362 1 17 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.178 0.006 25423 2363 1 17 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.568 -1.030 25423 2364 1 17 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.323 0.293 25423 2365 1 17 . 1 1 77 77 PHE H H 77 7.950 7.950 7.981 -0.031 25423 2366 1 17 . 1 1 78 78 CYS N N 78 116.956 116.956 117.192 -0.236 25423 2367 1 17 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.026 -0.096 25423 2368 1 17 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.321 -0.946 25423 2369 1 17 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.623 -1.528 25423 2370 1 17 . 1 1 78 78 CYS H H 78 8.017 8.017 7.678 0.339 25423 2371 1 17 . 1 1 79 79 HIS N N 79 117.041 117.041 118.362 -1.321 25423 2372 1 17 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.372 0.015 25423 2373 1 17 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.577 -0.667 25423 2374 1 17 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.257 -0.782 25423 2375 1 17 . 1 1 79 79 HIS H H 79 7.229 7.229 7.667 -0.438 25423 2376 1 17 . 1 1 80 80 SER N N 80 114.684 114.684 114.040 0.644 25423 2377 1 17 . 1 1 80 80 SER HA H 80 4.343 4.343 4.380 -0.037 25423 2378 1 17 . 1 1 80 80 SER CA C 80 58.448 58.448 59.564 -1.116 25423 2379 1 17 . 1 1 80 80 SER CB C 80 63.471 63.471 63.704 -0.233 25423 2380 1 17 . 1 1 80 80 SER H H 80 7.902 7.902 7.736 0.166 25423 2381 1 18 . 1 1 50 50 MET N N 50 120.051 120.051 124.011 -3.960 25423 2382 1 18 . 1 1 50 50 MET HA H 50 4.354 4.354 4.636 -0.282 25423 2383 1 18 . 1 1 50 50 MET CA C 50 55.149 55.149 55.524 -0.375 25423 2384 1 18 . 1 1 50 50 MET CB C 50 32.514 32.514 33.070 -0.556 25423 2385 1 18 . 1 1 50 50 MET H H 50 7.944 7.944 8.537 -0.593 25423 2386 1 18 . 1 1 51 51 GLN N N 51 122.311 122.311 124.717 -2.406 25423 2387 1 18 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.526 -0.012 25423 2388 1 18 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.306 -1.003 25423 2389 1 18 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.101 -0.319 25423 2390 1 18 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.162 0.145 25423 2391 1 18 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.739 -1.258 25423 2392 1 18 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.918 -0.068 25423 2393 1 18 . 1 1 53 53 LEU N N 53 121.833 121.833 116.670 5.163 25423 2394 1 18 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.928 0.223 25423 2395 1 18 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.976 -0.044 25423 2396 1 18 . 1 1 53 53 LEU CB C 53 41.974 41.974 40.690 1.284 25423 2397 1 18 . 1 1 54 54 CYS N N 54 115.819 115.819 114.917 0.902 25423 2398 1 18 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.595 -0.200 25423 2399 1 18 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.716 -1.534 25423 2400 1 18 . 1 1 54 54 CYS CB C 54 29.869 29.869 30.357 -0.488 25423 2401 1 18 . 1 1 54 54 CYS H H 54 7.719 7.719 7.274 0.445 25423 2402 1 18 . 1 1 55 55 PHE N N 55 119.044 119.044 119.980 -0.936 25423 2403 1 18 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.383 0.115 25423 2404 1 18 . 1 1 55 55 PHE CA C 55 55.690 55.690 57.139 -1.449 25423 2405 1 18 . 1 1 55 55 PHE CB C 55 39.981 39.981 42.462 -2.481 25423 2406 1 18 . 1 1 55 55 PHE H H 55 8.790 8.790 9.158 -0.368 25423 2407 1 18 . 1 1 56 56 ASN N N 56 119.254 119.254 121.743 -2.489 25423 2408 1 18 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.005 0.330 25423 2409 1 18 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.281 -1.034 25423 2410 1 18 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.364 0.939 25423 2411 1 18 . 1 1 57 57 CYS N N 57 127.439 127.439 124.100 3.339 25423 2412 1 18 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.247 -0.342 25423 2413 1 18 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.381 1.035 25423 2414 1 18 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.492 1.295 25423 2415 1 18 . 1 1 57 57 CYS H H 57 9.404 9.404 8.905 0.499 25423 2416 1 18 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.637 -0.063 25423 2417 1 18 . 1 1 58 58 PRO CA C 58 63.796 63.796 63.703 0.094 25423 2418 1 18 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.082 0.830 25423 2419 1 18 . 1 1 59 59 ILE N N 59 122.515 122.515 118.723 3.792 25423 2420 1 18 . 1 1 59 59 ILE HA H 59 3.919 3.919 4.171 -0.252 25423 2421 1 18 . 1 1 59 59 ILE CA C 59 62.084 62.084 62.166 -0.082 25423 2422 1 18 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.988 -0.439 25423 2423 1 18 . 1 1 60 60 CYS N N 60 119.620 119.620 116.233 3.387 25423 2424 1 18 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.825 0.298 25423 2425 1 18 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.492 -0.569 25423 2426 1 18 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.039 1.817 25423 2427 1 18 . 1 1 60 60 CYS H H 60 8.450 8.450 7.860 0.590 25423 2428 1 18 . 1 1 61 61 ASP N N 61 119.453 119.453 119.231 0.222 25423 2429 1 18 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.474 0.200 25423 2430 1 18 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.418 0.480 25423 2431 1 18 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.532 0.917 25423 2432 1 18 . 1 1 61 61 ASP H H 61 8.069 8.069 8.228 -0.159 25423 2433 1 18 . 1 1 62 62 LYS N N 62 122.865 122.865 119.058 3.807 25423 2434 1 18 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.022 -0.021 25423 2435 1 18 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.124 1.020 25423 2436 1 18 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.753 1.118 25423 2437 1 18 . 1 1 62 62 LYS H H 62 8.126 8.126 7.608 0.518 25423 2438 1 18 . 1 1 63 63 ILE N N 63 123.398 123.398 123.290 0.108 25423 2439 1 18 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.857 -0.013 25423 2440 1 18 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.316 0.539 25423 2441 1 18 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.600 -0.691 25423 2442 1 18 . 1 1 64 64 PHE N N 64 124.921 124.921 122.781 2.140 25423 2443 1 18 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.058 -0.193 25423 2444 1 18 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.043 -0.774 25423 2445 1 18 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.629 1.764 25423 2446 1 18 . 1 1 64 64 PHE H H 64 9.054 9.054 9.076 -0.022 25423 2447 1 18 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.480 0.131 25423 2448 1 18 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.614 -0.564 25423 2449 1 18 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.104 0.521 25423 2450 1 18 . 1 1 66 66 ALA N N 66 121.923 121.923 123.581 -1.658 25423 2451 1 18 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.161 -0.382 25423 2452 1 18 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.084 -1.222 25423 2453 1 18 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.872 -0.728 25423 2454 1 18 . 1 1 66 66 ALA H H 66 8.271 8.271 8.114 0.157 25423 2455 1 18 . 1 1 67 67 THR N N 67 104.076 104.076 108.803 -4.727 25423 2456 1 18 . 1 1 67 67 THR HA H 67 4.232 4.232 4.246 -0.014 25423 2457 1 18 . 1 1 67 67 THR CA C 67 61.824 61.824 63.818 -1.994 25423 2458 1 18 . 1 1 67 67 THR CB C 67 68.103 68.103 68.582 -0.479 25423 2459 1 18 . 1 1 68 68 GLU N N 68 122.788 122.788 121.324 1.464 25423 2460 1 18 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.653 0.270 25423 2461 1 18 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.780 -1.443 25423 2462 1 18 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.237 -0.950 25423 2463 1 18 . 1 1 68 68 GLU H H 68 7.879 7.879 7.720 0.159 25423 2464 1 18 . 1 1 69 69 LYS N N 69 121.136 121.136 119.765 1.371 25423 2465 1 18 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.718 -0.284 25423 2466 1 18 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.333 1.077 25423 2467 1 18 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.438 0.862 25423 2468 1 18 . 1 1 69 69 LYS H H 69 7.627 7.627 7.661 -0.034 25423 2469 1 18 . 1 1 70 70 GLN N N 70 117.013 117.013 118.932 -1.919 25423 2470 1 18 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.034 -0.116 25423 2471 1 18 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.730 -0.067 25423 2472 1 18 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.161 -0.408 25423 2473 1 18 . 1 1 71 71 ILE N N 71 119.588 119.588 119.596 -0.008 25423 2474 1 18 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.646 0.109 25423 2475 1 18 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.162 -0.317 25423 2476 1 18 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.387 0.250 25423 2477 1 18 . 1 1 72 72 PHE N N 72 122.393 122.393 121.394 0.999 25423 2478 1 18 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.461 -0.494 25423 2479 1 18 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.029 -0.593 25423 2480 1 18 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.344 -0.938 25423 2481 1 18 . 1 1 72 72 PHE H H 72 8.043 8.043 7.984 0.059 25423 2482 1 18 . 1 1 73 73 GLU N N 73 119.350 119.350 118.723 0.627 25423 2483 1 18 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.634 -0.399 25423 2484 1 18 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.317 0.059 25423 2485 1 18 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.248 -0.779 25423 2486 1 18 . 1 1 73 73 GLU H H 73 8.307 8.307 7.643 0.664 25423 2487 1 18 . 1 1 74 74 ASP N N 74 120.085 120.085 120.086 -0.001 25423 2488 1 18 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.468 -0.100 25423 2489 1 18 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.995 -1.107 25423 2490 1 18 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.935 -0.724 25423 2491 1 18 . 1 1 74 74 ASP H H 74 8.130 8.130 7.763 0.367 25423 2492 1 18 . 1 1 75 75 HIS N N 75 120.712 120.712 120.183 0.529 25423 2493 1 18 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.289 -0.301 25423 2494 1 18 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.770 -0.041 25423 2495 1 18 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.266 -2.986 25423 2496 1 18 . 1 1 75 75 HIS H H 75 8.037 8.037 8.297 -0.260 25423 2497 1 18 . 1 1 76 76 VAL N N 76 119.276 119.276 118.937 0.339 25423 2498 1 18 . 1 1 76 76 VAL HA H 76 3.438 3.438 4.008 -0.571 25423 2499 1 18 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.744 0.299 25423 2500 1 18 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.216 0.432 25423 2501 1 18 . 1 1 77 77 PHE N N 77 120.883 120.883 120.317 0.566 25423 2502 1 18 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.171 0.013 25423 2503 1 18 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.138 -0.600 25423 2504 1 18 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.509 0.107 25423 2505 1 18 . 1 1 77 77 PHE H H 77 7.950 7.950 8.094 -0.144 25423 2506 1 18 . 1 1 78 78 CYS N N 78 116.956 116.956 117.068 -0.112 25423 2507 1 18 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.754 0.176 25423 2508 1 18 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.916 -1.541 25423 2509 1 18 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.530 -1.435 25423 2510 1 18 . 1 1 78 78 CYS H H 78 8.017 8.017 7.642 0.375 25423 2511 1 18 . 1 1 79 79 HIS N N 79 117.041 117.041 118.248 -1.207 25423 2512 1 18 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.339 0.048 25423 2513 1 18 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.627 -0.717 25423 2514 1 18 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.187 -0.712 25423 2515 1 18 . 1 1 79 79 HIS H H 79 7.229 7.229 7.676 -0.447 25423 2516 1 18 . 1 1 80 80 SER N N 80 114.684 114.684 113.891 0.793 25423 2517 1 18 . 1 1 80 80 SER HA H 80 4.343 4.343 4.290 0.053 25423 2518 1 18 . 1 1 80 80 SER CA C 80 58.448 58.448 59.554 -1.106 25423 2519 1 18 . 1 1 80 80 SER CB C 80 63.471 63.471 63.643 -0.172 25423 2520 1 18 . 1 1 80 80 SER H H 80 7.902 7.902 7.614 0.288 25423 2521 1 19 . 1 1 50 50 MET N N 50 120.051 120.051 121.991 -1.940 25423 2522 1 19 . 1 1 50 50 MET HA H 50 4.354 4.354 4.622 -0.268 25423 2523 1 19 . 1 1 50 50 MET CA C 50 55.149 55.149 55.667 -0.518 25423 2524 1 19 . 1 1 50 50 MET CB C 50 32.514 32.514 33.292 -0.778 25423 2525 1 19 . 1 1 50 50 MET H H 50 7.944 7.944 8.097 -0.153 25423 2526 1 19 . 1 1 51 51 GLN N N 51 122.311 122.311 121.568 0.743 25423 2527 1 19 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.670 -0.156 25423 2528 1 19 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.650 -1.347 25423 2529 1 19 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.970 -2.188 25423 2530 1 19 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.319 -0.012 25423 2531 1 19 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.774 -0.293 25423 2532 1 19 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.306 -0.456 25423 2533 1 19 . 1 1 53 53 LEU N N 53 121.833 121.833 118.592 3.241 25423 2534 1 19 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.447 -0.296 25423 2535 1 19 . 1 1 53 53 LEU CA C 53 54.932 54.932 54.834 0.098 25423 2536 1 19 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.813 0.161 25423 2537 1 19 . 1 1 54 54 CYS N N 54 115.819 115.819 112.800 3.019 25423 2538 1 19 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.321 0.074 25423 2539 1 19 . 1 1 54 54 CYS CA C 54 56.182 56.182 56.728 -0.546 25423 2540 1 19 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.109 0.760 25423 2541 1 19 . 1 1 54 54 CYS H H 54 7.719 7.719 7.181 0.538 25423 2542 1 19 . 1 1 55 55 PHE N N 55 119.044 119.044 116.179 2.865 25423 2543 1 19 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.541 -0.043 25423 2544 1 19 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.510 -0.820 25423 2545 1 19 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.569 -1.588 25423 2546 1 19 . 1 1 55 55 PHE H H 55 8.790 8.790 8.710 0.080 25423 2547 1 19 . 1 1 56 56 ASN N N 56 119.254 119.254 118.357 0.897 25423 2548 1 19 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.058 0.277 25423 2549 1 19 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.633 -1.387 25423 2550 1 19 . 1 1 56 56 ASN CB C 56 40.303 40.303 40.855 -0.552 25423 2551 1 19 . 1 1 57 57 CYS N N 57 127.439 127.439 125.864 1.575 25423 2552 1 19 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.227 -0.322 25423 2553 1 19 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.593 0.823 25423 2554 1 19 . 1 1 57 57 CYS CB C 57 29.787 29.787 27.854 1.933 25423 2555 1 19 . 1 1 57 57 CYS H H 57 9.404 9.404 9.242 0.162 25423 2556 1 19 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.474 0.100 25423 2557 1 19 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.966 -1.170 25423 2558 1 19 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.577 0.335 25423 2559 1 19 . 1 1 59 59 ILE N N 59 122.515 122.515 119.373 3.142 25423 2560 1 19 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.965 -0.046 25423 2561 1 19 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.059 -0.975 25423 2562 1 19 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.985 0.564 25423 2563 1 19 . 1 1 60 60 CYS N N 60 119.620 119.620 114.303 5.317 25423 2564 1 19 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.761 0.362 25423 2565 1 19 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.589 -0.665 25423 2566 1 19 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.430 1.426 25423 2567 1 19 . 1 1 60 60 CYS H H 60 8.450 8.450 7.877 0.573 25423 2568 1 19 . 1 1 61 61 ASP N N 61 119.453 119.453 120.412 -0.959 25423 2569 1 19 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.527 0.147 25423 2570 1 19 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.404 0.494 25423 2571 1 19 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.336 1.113 25423 2572 1 19 . 1 1 61 61 ASP H H 61 8.069 8.069 8.606 -0.537 25423 2573 1 19 . 1 1 62 62 LYS N N 62 122.865 122.865 119.618 3.247 25423 2574 1 19 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.399 -0.398 25423 2575 1 19 . 1 1 62 62 LYS CA C 62 58.144 58.144 55.625 2.519 25423 2576 1 19 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.225 0.646 25423 2577 1 19 . 1 1 62 62 LYS H H 62 8.126 8.126 7.815 0.311 25423 2578 1 19 . 1 1 63 63 ILE N N 63 123.398 123.398 124.507 -1.109 25423 2579 1 19 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.598 0.246 25423 2580 1 19 . 1 1 63 63 ILE CA C 63 59.855 59.855 61.176 -1.321 25423 2581 1 19 . 1 1 63 63 ILE CB C 63 39.909 39.909 39.168 0.741 25423 2582 1 19 . 1 1 64 64 PHE N N 64 124.921 124.921 121.857 3.064 25423 2583 1 19 . 1 1 64 64 PHE HA H 64 4.865 4.865 4.953 -0.088 25423 2584 1 19 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.688 -1.419 25423 2585 1 19 . 1 1 64 64 PHE CB C 64 41.393 41.393 42.690 -1.296 25423 2586 1 19 . 1 1 64 64 PHE H H 64 9.054 9.054 8.738 0.316 25423 2587 1 19 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.307 0.304 25423 2588 1 19 . 1 1 65 65 PRO CA C 65 62.050 62.050 63.211 -1.161 25423 2589 1 19 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.104 0.521 25423 2590 1 19 . 1 1 66 66 ALA N N 66 121.923 121.923 123.583 -1.660 25423 2591 1 19 . 1 1 66 66 ALA HA H 66 3.779 3.779 4.053 -0.274 25423 2592 1 19 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.071 -1.209 25423 2593 1 19 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.808 -0.664 25423 2594 1 19 . 1 1 66 66 ALA H H 66 8.271 8.271 8.226 0.045 25423 2595 1 19 . 1 1 67 67 THR N N 67 104.076 104.076 109.698 -5.622 25423 2596 1 19 . 1 1 67 67 THR HA H 67 4.232 4.232 4.223 0.009 25423 2597 1 19 . 1 1 67 67 THR CA C 67 61.824 61.824 64.391 -2.567 25423 2598 1 19 . 1 1 67 67 THR CB C 67 68.103 68.103 68.806 -0.703 25423 2599 1 19 . 1 1 68 68 GLU N N 68 122.788 122.788 120.769 2.019 25423 2600 1 19 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.650 0.273 25423 2601 1 19 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.515 -1.178 25423 2602 1 19 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.496 -1.209 25423 2603 1 19 . 1 1 68 68 GLU H H 68 7.879 7.879 7.800 0.079 25423 2604 1 19 . 1 1 69 69 LYS N N 69 121.136 121.136 120.833 0.303 25423 2605 1 19 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.047 -0.613 25423 2606 1 19 . 1 1 69 69 LYS CA C 69 60.410 60.410 60.194 0.216 25423 2607 1 19 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.499 -0.199 25423 2608 1 19 . 1 1 69 69 LYS H H 69 7.627 7.627 7.646 -0.019 25423 2609 1 19 . 1 1 70 70 GLN N N 70 117.013 117.013 118.252 -1.239 25423 2610 1 19 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.086 -0.168 25423 2611 1 19 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.604 0.059 25423 2612 1 19 . 1 1 70 70 GLN CB C 70 27.753 27.753 27.986 -0.234 25423 2613 1 19 . 1 1 71 71 ILE N N 71 119.588 119.588 119.634 -0.046 25423 2614 1 19 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.765 -0.010 25423 2615 1 19 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.205 -0.360 25423 2616 1 19 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.688 -0.051 25423 2617 1 19 . 1 1 72 72 PHE N N 72 122.393 122.393 121.351 1.042 25423 2618 1 19 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.016 -0.049 25423 2619 1 19 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.070 -0.634 25423 2620 1 19 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.641 -1.235 25423 2621 1 19 . 1 1 72 72 PHE H H 72 8.043 8.043 8.348 -0.305 25423 2622 1 19 . 1 1 73 73 GLU N N 73 119.350 119.350 118.782 0.568 25423 2623 1 19 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.747 -0.512 25423 2624 1 19 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.681 -0.305 25423 2625 1 19 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.347 -0.878 25423 2626 1 19 . 1 1 73 73 GLU H H 73 8.307 8.307 7.754 0.553 25423 2627 1 19 . 1 1 74 74 ASP N N 74 120.085 120.085 119.679 0.406 25423 2628 1 19 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.417 -0.049 25423 2629 1 19 . 1 1 74 74 ASP CA C 74 56.889 56.889 56.977 -0.088 25423 2630 1 19 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.479 -0.268 25423 2631 1 19 . 1 1 74 74 ASP H H 74 8.130 8.130 7.775 0.355 25423 2632 1 19 . 1 1 75 75 HIS N N 75 120.712 120.712 120.269 0.443 25423 2633 1 19 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.258 -0.270 25423 2634 1 19 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.648 0.081 25423 2635 1 19 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.048 -2.768 25423 2636 1 19 . 1 1 75 75 HIS H H 75 8.037 8.037 8.140 -0.103 25423 2637 1 19 . 1 1 76 76 VAL N N 76 119.276 119.276 118.860 0.416 25423 2638 1 19 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.853 -0.415 25423 2639 1 19 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.626 0.417 25423 2640 1 19 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.350 0.298 25423 2641 1 19 . 1 1 77 77 PHE N N 77 120.883 120.883 118.529 2.354 25423 2642 1 19 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.227 -0.043 25423 2643 1 19 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.707 -1.169 25423 2644 1 19 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.757 -0.141 25423 2645 1 19 . 1 1 77 77 PHE H H 77 7.950 7.950 8.033 -0.083 25423 2646 1 19 . 1 1 78 78 CYS N N 78 116.956 116.956 117.711 -0.755 25423 2647 1 19 . 1 1 78 78 CYS HA H 78 3.930 3.930 4.034 -0.104 25423 2648 1 19 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.470 -1.095 25423 2649 1 19 . 1 1 78 78 CYS CB C 78 26.095 26.095 26.855 -0.760 25423 2650 1 19 . 1 1 78 78 CYS H H 78 8.017 8.017 7.664 0.353 25423 2651 1 19 . 1 1 79 79 HIS N N 79 117.041 117.041 118.340 -1.299 25423 2652 1 19 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.380 0.007 25423 2653 1 19 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.691 -0.781 25423 2654 1 19 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.359 -0.884 25423 2655 1 19 . 1 1 79 79 HIS H H 79 7.229 7.229 7.742 -0.513 25423 2656 1 19 . 1 1 80 80 SER N N 80 114.684 114.684 113.922 0.762 25423 2657 1 19 . 1 1 80 80 SER HA H 80 4.343 4.343 4.270 0.073 25423 2658 1 19 . 1 1 80 80 SER CA C 80 58.448 58.448 59.910 -1.462 25423 2659 1 19 . 1 1 80 80 SER CB C 80 63.471 63.471 63.557 -0.086 25423 2660 1 19 . 1 1 80 80 SER H H 80 7.902 7.902 7.769 0.133 25423 2661 1 20 . 1 1 50 50 MET N N 50 120.051 120.051 118.238 1.813 25423 2662 1 20 . 1 1 50 50 MET HA H 50 4.354 4.354 4.104 0.250 25423 2663 1 20 . 1 1 50 50 MET CA C 50 55.149 55.149 56.645 -1.496 25423 2664 1 20 . 1 1 50 50 MET CB C 50 32.514 32.514 32.328 0.186 25423 2665 1 20 . 1 1 50 50 MET H H 50 7.944 7.944 7.626 0.318 25423 2666 1 20 . 1 1 51 51 GLN N N 51 122.311 122.311 119.165 3.146 25423 2667 1 20 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.631 -0.117 25423 2668 1 20 . 1 1 51 51 GLN CA C 51 53.303 53.303 54.315 -1.012 25423 2669 1 20 . 1 1 51 51 GLN CB C 51 28.782 28.782 30.937 -2.155 25423 2670 1 20 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.249 0.058 25423 2671 1 20 . 1 1 52 52 PRO CA C 52 62.481 62.481 62.498 -0.017 25423 2672 1 20 . 1 1 52 52 PRO CB C 52 31.850 31.850 32.392 -0.542 25423 2673 1 20 . 1 1 53 53 LEU N N 53 121.833 121.833 116.461 5.372 25423 2674 1 20 . 1 1 53 53 LEU HA H 53 4.151 4.151 3.895 0.256 25423 2675 1 20 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.464 -0.532 25423 2676 1 20 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.225 0.749 25423 2677 1 20 . 1 1 54 54 CYS N N 54 115.819 115.819 114.505 1.314 25423 2678 1 20 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.355 0.040 25423 2679 1 20 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.121 -0.939 25423 2680 1 20 . 1 1 54 54 CYS CB C 54 29.869 29.869 31.181 -1.312 25423 2681 1 20 . 1 1 54 54 CYS H H 54 7.719 7.719 7.077 0.642 25423 2682 1 20 . 1 1 55 55 PHE N N 55 119.044 119.044 120.489 -1.445 25423 2683 1 20 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.279 0.219 25423 2684 1 20 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.164 -0.475 25423 2685 1 20 . 1 1 55 55 PHE CB C 55 39.981 39.981 40.708 -0.727 25423 2686 1 20 . 1 1 55 55 PHE H H 55 8.790 8.790 9.056 -0.266 25423 2687 1 20 . 1 1 56 56 ASN N N 56 119.254 119.254 120.993 -1.739 25423 2688 1 20 . 1 1 56 56 ASN HA H 56 5.335 5.335 4.992 0.343 25423 2689 1 20 . 1 1 56 56 ASN CA C 56 51.247 51.247 51.115 0.132 25423 2690 1 20 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.292 1.010 25423 2691 1 20 . 1 1 57 57 CYS N N 57 127.439 127.439 123.372 4.067 25423 2692 1 20 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.114 -0.209 25423 2693 1 20 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.648 0.768 25423 2694 1 20 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.174 1.613 25423 2695 1 20 . 1 1 57 57 CYS H H 57 9.404 9.404 9.113 0.291 25423 2696 1 20 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.478 0.096 25423 2697 1 20 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.727 -0.931 25423 2698 1 20 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.810 0.102 25423 2699 1 20 . 1 1 59 59 ILE N N 59 122.515 122.515 119.610 2.905 25423 2700 1 20 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.822 0.097 25423 2701 1 20 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.520 -1.436 25423 2702 1 20 . 1 1 59 59 ILE CB C 59 38.549 38.549 37.771 0.778 25423 2703 1 20 . 1 1 60 60 CYS N N 60 119.620 119.620 116.564 3.056 25423 2704 1 20 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.675 0.448 25423 2705 1 20 . 1 1 60 60 CYS CA C 60 57.924 57.924 59.244 -1.320 25423 2706 1 20 . 1 1 60 60 CYS CB C 60 31.856 31.856 29.902 1.954 25423 2707 1 20 . 1 1 60 60 CYS H H 60 8.450 8.450 8.117 0.333 25423 2708 1 20 . 1 1 61 61 ASP N N 61 119.453 119.453 115.860 3.593 25423 2709 1 20 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.502 0.172 25423 2710 1 20 . 1 1 61 61 ASP CA C 61 55.898 55.898 53.847 2.051 25423 2711 1 20 . 1 1 61 61 ASP CB C 61 40.449 40.449 40.447 0.002 25423 2712 1 20 . 1 1 61 61 ASP H H 61 8.069 8.069 8.248 -0.179 25423 2713 1 20 . 1 1 62 62 LYS N N 62 122.865 122.865 122.574 0.291 25423 2714 1 20 . 1 1 62 62 LYS HA H 62 4.001 4.001 3.880 0.121 25423 2715 1 20 . 1 1 62 62 LYS CA C 62 58.144 58.144 57.891 0.254 25423 2716 1 20 . 1 1 62 62 LYS CB C 62 33.871 33.871 32.433 1.438 25423 2717 1 20 . 1 1 62 62 LYS H H 62 8.126 8.126 7.866 0.260 25423 2718 1 20 . 1 1 63 63 ILE N N 63 123.398 123.398 122.438 0.960 25423 2719 1 20 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.697 0.147 25423 2720 1 20 . 1 1 63 63 ILE CA C 63 59.855 59.855 58.745 1.111 25423 2721 1 20 . 1 1 63 63 ILE CB C 63 39.909 39.909 41.772 -1.863 25423 2722 1 20 . 1 1 64 64 PHE N N 64 124.921 124.921 118.952 5.969 25423 2723 1 20 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.085 -0.220 25423 2724 1 20 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.080 -0.811 25423 2725 1 20 . 1 1 64 64 PHE CB C 64 41.393 41.393 39.979 1.414 25423 2726 1 20 . 1 1 64 64 PHE H H 64 9.054 9.054 8.984 0.070 25423 2727 1 20 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.462 0.149 25423 2728 1 20 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.195 -0.145 25423 2729 1 20 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.520 0.105 25423 2730 1 20 . 1 1 66 66 ALA N N 66 121.923 121.923 123.124 -1.201 25423 2731 1 20 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.619 0.160 25423 2732 1 20 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.094 -1.232 25423 2733 1 20 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.549 -0.406 25423 2734 1 20 . 1 1 66 66 ALA H H 66 8.271 8.271 8.496 -0.225 25423 2735 1 20 . 1 1 67 67 THR N N 67 104.076 104.076 109.120 -5.044 25423 2736 1 20 . 1 1 67 67 THR HA H 67 4.232 4.232 4.201 0.031 25423 2737 1 20 . 1 1 67 67 THR CA C 67 61.824 61.824 64.285 -2.461 25423 2738 1 20 . 1 1 67 67 THR CB C 67 68.103 68.103 68.518 -0.415 25423 2739 1 20 . 1 1 68 68 GLU N N 68 122.788 122.788 121.118 1.670 25423 2740 1 20 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.541 0.382 25423 2741 1 20 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.747 -1.410 25423 2742 1 20 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.461 -1.174 25423 2743 1 20 . 1 1 68 68 GLU H H 68 7.879 7.879 8.063 -0.184 25423 2744 1 20 . 1 1 69 69 LYS N N 69 121.136 121.136 120.854 0.282 25423 2745 1 20 . 1 1 69 69 LYS HA H 69 3.434 3.434 4.078 -0.644 25423 2746 1 20 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.767 0.643 25423 2747 1 20 . 1 1 69 69 LYS CB C 69 32.300 32.300 32.396 -0.096 25423 2748 1 20 . 1 1 69 69 LYS H H 69 7.627 7.627 7.854 -0.227 25423 2749 1 20 . 1 1 70 70 GLN N N 70 117.013 117.013 117.632 -0.619 25423 2750 1 20 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.304 -0.386 25423 2751 1 20 . 1 1 70 70 GLN CA C 70 58.663 58.663 59.072 -0.409 25423 2752 1 20 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.224 -0.471 25423 2753 1 20 . 1 1 71 71 ILE N N 71 119.588 119.588 118.863 0.725 25423 2754 1 20 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.740 0.015 25423 2755 1 20 . 1 1 71 71 ILE CA C 71 63.845 63.845 64.429 -0.584 25423 2756 1 20 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.611 0.026 25423 2757 1 20 . 1 1 72 72 PHE N N 72 122.393 122.393 121.594 0.799 25423 2758 1 20 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.445 -0.478 25423 2759 1 20 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.880 -1.444 25423 2760 1 20 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.937 -1.531 25423 2761 1 20 . 1 1 72 72 PHE H H 72 8.043 8.043 8.346 -0.303 25423 2762 1 20 . 1 1 73 73 GLU N N 73 119.350 119.350 118.113 1.237 25423 2763 1 20 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.698 -0.463 25423 2764 1 20 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.096 0.280 25423 2765 1 20 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.032 -0.563 25423 2766 1 20 . 1 1 73 73 GLU H H 73 8.307 8.307 7.936 0.371 25423 2767 1 20 . 1 1 74 74 ASP N N 74 120.085 120.085 120.668 -0.583 25423 2768 1 20 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.422 -0.054 25423 2769 1 20 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.006 -0.117 25423 2770 1 20 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.796 -0.585 25423 2771 1 20 . 1 1 74 74 ASP H H 74 8.130 8.130 7.757 0.373 25423 2772 1 20 . 1 1 75 75 HIS N N 75 120.712 120.712 120.628 0.084 25423 2773 1 20 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.257 -0.269 25423 2774 1 20 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.781 -0.052 25423 2775 1 20 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.170 -2.890 25423 2776 1 20 . 1 1 75 75 HIS H H 75 8.037 8.037 8.258 -0.221 25423 2777 1 20 . 1 1 76 76 VAL N N 76 119.276 119.276 118.786 0.490 25423 2778 1 20 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.981 -0.543 25423 2779 1 20 . 1 1 76 76 VAL CA C 76 67.043 67.043 65.274 1.769 25423 2780 1 20 . 1 1 76 76 VAL CB C 76 31.648 31.648 30.556 1.092 25423 2781 1 20 . 1 1 77 77 PHE N N 77 120.883 120.883 119.988 0.895 25423 2782 1 20 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.146 0.038 25423 2783 1 20 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.719 -1.181 25423 2784 1 20 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.734 -0.118 25423 2785 1 20 . 1 1 77 77 PHE H H 77 7.950 7.950 7.908 0.042 25423 2786 1 20 . 1 1 78 78 CYS N N 78 116.956 116.956 117.401 -0.445 25423 2787 1 20 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.987 -0.057 25423 2788 1 20 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.382 -1.007 25423 2789 1 20 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.461 -1.366 25423 2790 1 20 . 1 1 78 78 CYS H H 78 8.017 8.017 7.744 0.273 25423 2791 1 20 . 1 1 79 79 HIS N N 79 117.041 117.041 118.548 -1.507 25423 2792 1 20 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.348 0.039 25423 2793 1 20 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.792 -0.882 25423 2794 1 20 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.348 -0.873 25423 2795 1 20 . 1 1 79 79 HIS H H 79 7.229 7.229 7.635 -0.406 25423 2796 1 20 . 1 1 80 80 SER N N 80 114.684 114.684 113.960 0.724 25423 2797 1 20 . 1 1 80 80 SER HA H 80 4.343 4.343 4.304 0.039 25423 2798 1 20 . 1 1 80 80 SER CA C 80 58.448 58.448 59.595 -1.147 25423 2799 1 20 . 1 1 80 80 SER CB C 80 63.471 63.471 63.394 0.077 25423 2800 1 20 . 1 1 80 80 SER H H 80 7.902 7.902 7.691 0.211 25423 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 28 2.324 -0.545 2.301 25423 2 1 1 "Average Difference" HA 31 0.340 0.031 0.344 25423 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25423 4 1 1 "Average Difference" CA 31 0.975 0.441 0.885 25423 5 1 1 "Average Difference" CB 31 1.039 -0.016 1.056 25423 6 1 1 "Average Difference" HN 19 0.415 -0.070 0.421 25423 7 1 2 "Average Difference" N 28 2.312 -0.751 2.227 25423 8 1 2 "Average Difference" HA 31 0.267 0.090 0.256 25423 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25423 10 1 2 "Average Difference" CA 31 1.037 0.527 0.909 25423 11 1 2 "Average Difference" CB 31 1.049 0.223 1.042 25423 12 1 2 "Average Difference" HN 19 0.366 -0.074 0.368 25423 13 1 3 "Average Difference" N 28 2.850 -1.165 2.649 25423 14 1 3 "Average Difference" HA 31 0.247 0.050 0.246 25423 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25423 16 1 3 "Average Difference" CA 31 1.257 0.724 1.044 25423 17 1 3 "Average Difference" CB 31 1.086 0.238 1.077 25423 18 1 3 "Average Difference" HN 19 0.411 -0.181 0.380 25423 19 1 4 "Average Difference" N 28 2.398 -0.901 2.264 25423 20 1 4 "Average Difference" HA 31 0.235 0.055 0.233 25423 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25423 22 1 4 "Average Difference" CA 31 0.933 0.413 0.851 25423 23 1 4 "Average Difference" CB 31 0.992 0.132 0.999 25423 24 1 4 "Average Difference" HN 19 0.437 -0.077 0.442 25423 25 1 5 "Average Difference" N 28 2.370 -0.603 2.334 25423 26 1 5 "Average Difference" HA 31 0.282 0.018 0.286 25423 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25423 28 1 5 "Average Difference" CA 31 1.608 0.734 1.455 25423 29 1 5 "Average Difference" CB 31 1.059 0.084 1.073 25423 30 1 5 "Average Difference" HN 19 0.309 -0.087 0.305 25423 31 1 6 "Average Difference" N 28 2.136 -0.560 2.099 25423 32 1 6 "Average Difference" HA 31 0.304 0.040 0.306 25423 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25423 34 1 6 "Average Difference" CA 31 1.060 0.435 0.983 25423 35 1 6 "Average Difference" CB 31 1.140 0.177 1.144 25423 36 1 6 "Average Difference" HN 19 0.371 -0.160 0.344 25423 37 1 7 "Average Difference" N 28 2.308 -0.357 2.322 25423 38 1 7 "Average Difference" HA 31 0.233 0.081 0.222 25423 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25423 40 1 7 "Average Difference" CA 31 0.984 0.597 0.795 25423 41 1 7 "Average Difference" CB 31 1.053 0.212 1.049 25423 42 1 7 "Average Difference" HN 19 0.396 -0.101 0.393 25423 43 1 8 "Average Difference" N 28 2.695 -1.060 2.523 25423 44 1 8 "Average Difference" HA 31 0.304 0.058 0.304 25423 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25423 46 1 8 "Average Difference" CA 31 1.014 0.444 0.927 25423 47 1 8 "Average Difference" CB 31 1.109 0.079 1.124 25423 48 1 8 "Average Difference" HN 19 0.425 -0.061 0.432 25423 49 1 9 "Average Difference" N 28 2.575 -0.860 2.472 25423 50 1 9 "Average Difference" HA 31 0.245 0.071 0.238 25423 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25423 52 1 9 "Average Difference" CA 31 0.972 0.630 0.752 25423 53 1 9 "Average Difference" CB 31 1.068 0.300 1.042 25423 54 1 9 "Average Difference" HN 19 0.396 -0.059 0.403 25423 55 1 10 "Average Difference" N 28 2.710 -1.064 2.538 25423 56 1 10 "Average Difference" HA 31 0.281 0.068 0.278 25423 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25423 58 1 10 "Average Difference" CA 31 0.973 0.434 0.885 25423 59 1 10 "Average Difference" CB 31 1.130 0.228 1.125 25423 60 1 10 "Average Difference" HN 19 0.461 -0.086 0.465 25423 61 1 11 "Average Difference" N 28 2.196 -0.648 2.137 25423 62 1 11 "Average Difference" HA 31 0.241 0.030 0.243 25423 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25423 64 1 11 "Average Difference" CA 31 1.013 0.527 0.879 25423 65 1 11 "Average Difference" CB 31 1.133 0.108 1.146 25423 66 1 11 "Average Difference" HN 19 0.377 -0.090 0.376 25423 67 1 12 "Average Difference" N 28 2.470 -0.980 2.309 25423 68 1 12 "Average Difference" HA 31 0.240 0.075 0.232 25423 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25423 70 1 12 "Average Difference" CA 31 1.075 0.605 0.903 25423 71 1 12 "Average Difference" CB 31 1.076 0.220 1.071 25423 72 1 12 "Average Difference" HN 19 0.318 -0.147 0.290 25423 73 1 13 "Average Difference" N 28 2.429 -0.209 2.464 25423 74 1 13 "Average Difference" HA 31 0.366 0.080 0.363 25423 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25423 76 1 13 "Average Difference" CA 31 1.185 0.340 1.154 25423 77 1 13 "Average Difference" CB 31 1.136 0.046 1.154 25423 78 1 13 "Average Difference" HN 19 0.378 -0.085 0.379 25423 79 1 14 "Average Difference" N 28 2.295 -0.949 2.129 25423 80 1 14 "Average Difference" HA 31 0.214 0.011 0.217 25423 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25423 82 1 14 "Average Difference" CA 31 0.940 0.464 0.831 25423 83 1 14 "Average Difference" CB 31 1.188 0.127 1.201 25423 84 1 14 "Average Difference" HN 19 0.437 -0.054 0.445 25423 85 1 15 "Average Difference" N 28 2.474 -0.915 2.341 25423 86 1 15 "Average Difference" HA 31 0.229 0.073 0.221 25423 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25423 88 1 15 "Average Difference" CA 31 1.139 0.639 0.958 25423 89 1 15 "Average Difference" CB 31 1.059 0.155 1.065 25423 90 1 15 "Average Difference" HN 19 0.397 -0.057 0.404 25423 91 1 16 "Average Difference" N 28 2.429 -0.455 2.430 25423 92 1 16 "Average Difference" HA 31 0.234 0.103 0.213 25423 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25423 94 1 16 "Average Difference" CA 31 1.000 0.453 0.906 25423 95 1 16 "Average Difference" CB 31 1.092 0.279 1.074 25423 96 1 16 "Average Difference" HN 19 0.351 -0.141 0.330 25423 97 1 17 "Average Difference" N 28 2.644 -0.970 2.504 25423 98 1 17 "Average Difference" HA 31 0.275 0.035 0.277 25423 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25423 100 1 17 "Average Difference" CA 31 1.076 0.558 0.935 25423 101 1 17 "Average Difference" CB 31 1.177 0.366 1.137 25423 102 1 17 "Average Difference" HN 19 0.421 -0.103 0.420 25423 103 1 18 "Average Difference" N 28 2.308 -0.362 2.321 25423 104 1 18 "Average Difference" HA 31 0.246 0.062 0.242 25423 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25423 106 1 18 "Average Difference" CA 31 0.935 0.478 0.817 25423 107 1 18 "Average Difference" CB 31 1.100 0.104 1.113 25423 108 1 18 "Average Difference" HN 19 0.378 -0.110 0.372 25423 109 1 19 "Average Difference" N 28 2.284 -0.743 2.199 25423 110 1 19 "Average Difference" HA 31 0.250 0.073 0.243 25423 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25423 112 1 19 "Average Difference" CA 31 1.075 0.573 0.925 25423 113 1 19 "Average Difference" CB 31 1.038 0.272 1.018 25423 114 1 19 "Average Difference" HN 19 0.334 -0.094 0.329 25423 115 1 20 "Average Difference" N 28 2.464 -0.957 2.312 25423 116 1 20 "Average Difference" HA 31 0.270 0.011 0.275 25423 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25423 118 1 20 "Average Difference" CA 31 1.084 0.453 1.001 25423 119 1 20 "Average Difference" CB 31 1.143 0.211 1.142 25423 120 1 20 "Average Difference" HN 19 0.301 -0.062 0.303 25423 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 25423 _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 50 50 MET N N 50 120.051 120.051 120.554 -0.503 25423 2 1 . 1 1 50 50 MET HA H 50 4.354 4.354 4.516 -0.162 25423 3 1 . 1 1 50 50 MET CA C 50 55.149 55.149 55.850 -0.701 25423 4 1 . 1 1 50 50 MET CB C 50 32.514 32.514 33.182 -0.669 25423 5 1 . 1 1 50 50 MET H H 50 7.944 7.944 8.257 -0.313 25423 6 1 . 1 1 51 51 GLN N N 51 122.311 122.311 121.012 1.299 25423 7 1 . 1 1 51 51 GLN HA H 51 4.514 4.514 4.505 0.009 25423 8 1 . 1 1 51 51 GLN CA C 51 53.303 53.303 55.144 -1.841 25423 9 1 . 1 1 51 51 GLN CB C 51 28.782 28.782 29.282 -0.500 25423 10 1 . 1 1 52 52 PRO HA H 52 4.307 4.307 4.293 0.014 25423 11 1 . 1 1 52 52 PRO CA C 52 62.481 62.481 63.244 -0.763 25423 12 1 . 1 1 52 52 PRO CB C 52 31.850 31.850 31.796 0.054 25423 13 1 . 1 1 53 53 LEU N N 53 121.833 121.833 118.588 3.245 25423 14 1 . 1 1 53 53 LEU HA H 53 4.151 4.151 4.147 0.004 25423 15 1 . 1 1 53 53 LEU CA C 53 54.932 54.932 55.157 -0.225 25423 16 1 . 1 1 53 53 LEU CB C 53 41.974 41.974 41.593 0.381 25423 17 1 . 1 1 54 54 CYS N N 54 115.819 115.819 113.562 2.257 25423 18 1 . 1 1 54 54 CYS HA H 54 4.395 4.395 4.514 -0.119 25423 19 1 . 1 1 54 54 CYS CA C 54 56.182 56.182 57.130 -0.948 25423 20 1 . 1 1 54 54 CYS CB C 54 29.869 29.869 29.929 -0.060 25423 21 1 . 1 1 54 54 CYS H H 54 7.719 7.719 7.220 0.499 25423 22 1 . 1 1 55 55 PHE N N 55 119.044 119.044 118.955 0.089 25423 23 1 . 1 1 55 55 PHE HA H 55 4.498 4.498 4.415 0.083 25423 24 1 . 1 1 55 55 PHE CA C 55 55.690 55.690 56.707 -1.017 25423 25 1 . 1 1 55 55 PHE CB C 55 39.981 39.981 41.515 -1.534 25423 26 1 . 1 1 55 55 PHE H H 55 8.790 8.790 8.858 -0.068 25423 27 1 . 1 1 56 56 ASN N N 56 119.254 119.254 120.183 -0.929 25423 28 1 . 1 1 56 56 ASN HA H 56 5.335 5.335 5.098 0.237 25423 29 1 . 1 1 56 56 ASN CA C 56 51.247 51.247 52.235 -0.988 25423 30 1 . 1 1 56 56 ASN CB C 56 40.303 40.303 39.737 0.566 25423 31 1 . 1 1 57 57 CYS N N 57 127.439 127.439 124.693 2.746 25423 32 1 . 1 1 57 57 CYS HA H 57 4.905 4.905 5.143 -0.238 25423 33 1 . 1 1 57 57 CYS CA C 57 57.416 57.416 56.566 0.850 25423 34 1 . 1 1 57 57 CYS CB C 57 29.787 29.787 28.011 1.776 25423 35 1 . 1 1 57 57 CYS H H 57 9.404 9.404 8.883 0.521 25423 36 1 . 1 1 58 58 PRO HA H 58 4.574 4.574 4.481 0.093 25423 37 1 . 1 1 58 58 PRO CA C 58 63.796 63.796 64.601 -0.805 25423 38 1 . 1 1 58 58 PRO CB C 58 31.912 31.912 31.640 0.272 25423 39 1 . 1 1 59 59 ILE N N 59 122.515 122.515 119.281 3.234 25423 40 1 . 1 1 59 59 ILE HA H 59 3.919 3.919 3.933 -0.014 25423 41 1 . 1 1 59 59 ILE CA C 59 62.084 62.084 63.104 -1.020 25423 42 1 . 1 1 59 59 ILE CB C 59 38.549 38.549 38.056 0.494 25423 43 1 . 1 1 60 60 CYS N N 60 119.620 119.620 114.739 4.881 25423 44 1 . 1 1 60 60 CYS HA H 60 5.123 5.123 4.785 0.338 25423 45 1 . 1 1 60 60 CYS CA C 60 57.924 57.924 58.351 -0.427 25423 46 1 . 1 1 60 60 CYS CB C 60 31.856 31.856 30.009 1.847 25423 47 1 . 1 1 60 60 CYS H H 60 8.450 8.450 7.874 0.576 25423 48 1 . 1 1 61 61 ASP N N 61 119.453 119.453 119.413 0.040 25423 49 1 . 1 1 61 61 ASP HA H 61 4.674 4.674 4.489 0.185 25423 50 1 . 1 1 61 61 ASP CA C 61 55.898 55.898 55.191 0.707 25423 51 1 . 1 1 61 61 ASP CB C 61 40.449 40.449 39.349 1.100 25423 52 1 . 1 1 61 61 ASP H H 61 8.069 8.069 8.494 -0.426 25423 53 1 . 1 1 62 62 LYS N N 62 122.865 122.865 119.705 3.160 25423 54 1 . 1 1 62 62 LYS HA H 62 4.001 4.001 4.244 -0.243 25423 55 1 . 1 1 62 62 LYS CA C 62 58.144 58.144 56.530 1.614 25423 56 1 . 1 1 62 62 LYS CB C 62 33.871 33.871 33.255 0.616 25423 57 1 . 1 1 62 62 LYS H H 62 8.126 8.126 7.745 0.381 25423 58 1 . 1 1 63 63 ILE N N 63 123.398 123.398 121.478 1.920 25423 59 1 . 1 1 63 63 ILE HA H 63 4.844 4.844 4.739 0.105 25423 60 1 . 1 1 63 63 ILE CA C 63 59.855 59.855 59.964 -0.109 25423 61 1 . 1 1 63 63 ILE CB C 63 39.909 39.909 40.825 -0.916 25423 62 1 . 1 1 64 64 PHE N N 64 124.921 124.921 121.972 2.949 25423 63 1 . 1 1 64 64 PHE HA H 64 4.865 4.865 5.028 -0.163 25423 64 1 . 1 1 64 64 PHE CA C 64 54.269 54.269 55.321 -1.052 25423 65 1 . 1 1 64 64 PHE CB C 64 41.393 41.393 41.539 -0.146 25423 66 1 . 1 1 64 64 PHE H H 64 9.054 9.054 8.800 0.254 25423 67 1 . 1 1 65 65 PRO HA H 65 4.611 4.611 4.439 0.172 25423 68 1 . 1 1 65 65 PRO CA C 65 62.050 62.050 62.687 -0.637 25423 69 1 . 1 1 65 65 PRO CB C 65 32.625 32.625 32.179 0.446 25423 70 1 . 1 1 66 66 ALA N N 66 121.923 121.923 124.067 -2.144 25423 71 1 . 1 1 66 66 ALA HA H 66 3.779 3.779 3.782 -0.003 25423 72 1 . 1 1 66 66 ALA CA C 66 53.862 53.862 55.053 -1.191 25423 73 1 . 1 1 66 66 ALA CB C 66 18.144 18.144 18.662 -0.518 25423 74 1 . 1 1 66 66 ALA H H 66 8.271 8.271 8.214 0.057 25423 75 1 . 1 1 67 67 THR N N 67 104.076 104.076 109.291 -5.215 25423 76 1 . 1 1 67 67 THR HA H 67 4.232 4.232 4.212 0.020 25423 77 1 . 1 1 67 67 THR CA C 67 61.824 61.824 63.944 -2.119 25423 78 1 . 1 1 67 67 THR CB C 67 68.103 68.103 68.517 -0.414 25423 79 1 . 1 1 68 68 GLU N N 68 122.788 122.788 121.399 1.389 25423 80 1 . 1 1 68 68 GLU HA H 68 4.923 4.923 4.631 0.292 25423 81 1 . 1 1 68 68 GLU CA C 68 54.337 54.337 55.395 -1.058 25423 82 1 . 1 1 68 68 GLU CB C 68 28.287 28.287 29.192 -0.905 25423 83 1 . 1 1 68 68 GLU H H 68 7.879 7.879 8.088 -0.209 25423 84 1 . 1 1 69 69 LYS N N 69 121.136 121.136 120.256 0.880 25423 85 1 . 1 1 69 69 LYS HA H 69 3.434 3.434 3.977 -0.543 25423 86 1 . 1 1 69 69 LYS CA C 69 60.410 60.410 59.736 0.674 25423 87 1 . 1 1 69 69 LYS CB C 69 32.300 32.300 31.979 0.321 25423 88 1 . 1 1 69 69 LYS H H 69 7.627 7.627 7.787 -0.160 25423 89 1 . 1 1 70 70 GLN N N 70 117.013 117.013 118.403 -1.390 25423 90 1 . 1 1 70 70 GLN HA H 70 3.918 3.918 4.096 -0.178 25423 91 1 . 1 1 70 70 GLN CA C 70 58.663 58.663 58.866 -0.203 25423 92 1 . 1 1 70 70 GLN CB C 70 27.753 27.753 28.284 -0.531 25423 93 1 . 1 1 71 71 ILE N N 71 119.588 119.588 119.620 -0.032 25423 94 1 . 1 1 71 71 ILE HA H 71 3.755 3.755 3.737 0.018 25423 95 1 . 1 1 71 71 ILE CA C 71 63.845 63.845 63.970 -0.125 25423 96 1 . 1 1 71 71 ILE CB C 71 37.637 37.637 37.464 0.173 25423 97 1 . 1 1 72 72 PHE N N 72 122.393 122.393 121.451 0.942 25423 98 1 . 1 1 72 72 PHE HA H 72 2.967 2.967 3.385 -0.418 25423 99 1 . 1 1 72 72 PHE CA C 72 59.436 59.436 60.622 -1.186 25423 100 1 . 1 1 72 72 PHE CB C 72 37.406 37.406 38.821 -1.415 25423 101 1 . 1 1 72 72 PHE H H 72 8.043 8.043 8.277 -0.234 25423 102 1 . 1 1 73 73 GLU N N 73 119.350 119.350 118.599 0.751 25423 103 1 . 1 1 73 73 GLU HA H 73 3.235 3.235 3.734 -0.499 25423 104 1 . 1 1 73 73 GLU CA C 73 59.376 59.376 59.439 -0.063 25423 105 1 . 1 1 73 73 GLU CB C 73 28.469 28.469 29.164 -0.695 25423 106 1 . 1 1 73 73 GLU H H 73 8.307 8.307 7.758 0.549 25423 107 1 . 1 1 74 74 ASP N N 74 120.085 120.085 119.995 0.090 25423 108 1 . 1 1 74 74 ASP HA H 74 4.368 4.368 4.422 -0.054 25423 109 1 . 1 1 74 74 ASP CA C 74 56.889 56.889 57.242 -0.353 25423 110 1 . 1 1 74 74 ASP CB C 74 40.211 40.211 40.922 -0.711 25423 111 1 . 1 1 74 74 ASP H H 74 8.130 8.130 7.745 0.385 25423 112 1 . 1 1 75 75 HIS N N 75 120.712 120.712 120.099 0.613 25423 113 1 . 1 1 75 75 HIS HA H 75 3.988 3.988 4.247 -0.259 25423 114 1 . 1 1 75 75 HIS CA C 75 59.729 59.729 59.658 0.071 25423 115 1 . 1 1 75 75 HIS CB C 75 27.280 27.280 30.095 -2.815 25423 116 1 . 1 1 75 75 HIS H H 75 8.037 8.037 8.156 -0.119 25423 117 1 . 1 1 76 76 VAL N N 76 119.276 119.276 118.923 0.353 25423 118 1 . 1 1 76 76 VAL HA H 76 3.438 3.438 3.899 -0.461 25423 119 1 . 1 1 76 76 VAL CA C 76 67.043 67.043 66.473 0.570 25423 120 1 . 1 1 76 76 VAL CB C 76 31.648 31.648 31.233 0.415 25423 121 1 . 1 1 77 77 PHE N N 77 120.883 120.883 119.455 1.428 25423 122 1 . 1 1 77 77 PHE HA H 77 4.184 4.184 4.160 0.024 25423 123 1 . 1 1 77 77 PHE CA C 77 60.538 60.538 61.580 -1.042 25423 124 1 . 1 1 77 77 PHE CB C 77 38.616 38.616 38.700 -0.084 25423 125 1 . 1 1 77 77 PHE H H 77 7.950 7.950 7.939 0.011 25423 126 1 . 1 1 78 78 CYS N N 78 116.956 116.956 117.298 -0.342 25423 127 1 . 1 1 78 78 CYS HA H 78 3.930 3.930 3.974 -0.044 25423 128 1 . 1 1 78 78 CYS CA C 78 62.375 62.375 63.232 -0.857 25423 129 1 . 1 1 78 78 CYS CB C 78 26.095 26.095 27.324 -1.229 25423 130 1 . 1 1 78 78 CYS H H 78 8.017 8.017 7.711 0.306 25423 131 1 . 1 1 79 79 HIS N N 79 117.041 117.041 118.391 -1.350 25423 132 1 . 1 1 79 79 HIS HA H 79 4.387 4.387 4.357 0.030 25423 133 1 . 1 1 79 79 HIS CA C 79 57.910 57.910 58.708 -0.798 25423 134 1 . 1 1 79 79 HIS CB C 79 28.475 28.475 29.259 -0.784 25423 135 1 . 1 1 79 79 HIS H H 79 7.229 7.229 7.646 -0.417 25423 136 1 . 1 1 80 80 SER N N 80 114.684 114.684 113.969 0.715 25423 137 1 . 1 1 80 80 SER HA H 80 4.343 4.343 4.292 0.051 25423 138 1 . 1 1 80 80 SER CA C 80 58.448 58.448 59.631 -1.182 25423 139 1 . 1 1 80 80 SER CB C 80 63.471 63.471 63.506 -0.034 25423 140 1 . 1 1 80 80 SER H H 80 7.902 7.902 7.688 0.214 25423 stop_ save_