data_25225 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25225 _Entry.PDB_ID 2MUO 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 25225 _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 1 101 101 LEU N N 101 127.862 127.862 127.610 0.252 25225 2 1 1 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.613 0.021 25225 3 1 1 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.722 -2.846 25225 4 1 1 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.544 -0.523 25225 5 1 1 . 1 1 101 101 LEU H H 101 8.754 8.754 8.643 0.111 25225 6 1 1 . 1 1 102 102 LYS N N 102 121.006 121.006 126.131 -5.125 25225 7 1 1 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.110 0.151 25225 8 1 1 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.393 -3.801 25225 9 1 1 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.311 -3.292 25225 10 1 1 . 1 1 102 102 LYS H H 102 7.879 7.879 8.187 -0.308 25225 11 1 1 . 1 1 103 103 CYS N N 103 117.708 117.708 121.221 -3.513 25225 12 1 1 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.801 0.145 25225 13 1 1 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.491 -9.493 25225 14 1 1 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.224 7.688 25225 15 1 1 . 1 1 103 103 CYS H H 103 8.427 8.427 8.651 -0.224 25225 16 1 1 . 1 1 104 104 TYR N N 104 121.098 121.098 123.396 -2.298 25225 17 1 1 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.548 0.588 25225 18 1 1 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.442 -2.900 25225 19 1 1 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.676 -1.893 25225 20 1 1 . 1 1 104 104 TYR H H 104 8.442 8.442 8.855 -0.413 25225 21 1 1 . 1 1 105 105 THR N N 105 110.634 110.634 114.978 -4.344 25225 22 1 1 . 1 1 105 105 THR HA H 105 4.624 4.624 4.688 -0.064 25225 23 1 1 . 1 1 105 105 THR CA C 105 57.375 57.375 60.178 -2.803 25225 24 1 1 . 1 1 105 105 THR CB C 105 70.082 70.082 71.205 -1.123 25225 25 1 1 . 1 1 105 105 THR H H 105 9.312 9.312 8.030 1.282 25225 26 1 1 . 1 1 106 106 CYS N N 106 109.134 109.134 123.824 -14.690 25225 27 1 1 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.756 0.086 25225 28 1 1 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.119 -2.885 25225 29 1 1 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.141 13.957 25225 30 1 1 . 1 1 106 106 CYS H H 106 8.260 8.260 8.554 -0.294 25225 31 1 1 . 1 1 107 107 LYS N N 107 120.821 120.821 120.987 -0.166 25225 32 1 1 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.188 0.180 25225 33 1 1 . 1 1 107 107 LYS CA C 107 54.209 54.209 58.129 -3.920 25225 34 1 1 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.620 -2.053 25225 35 1 1 . 1 1 107 107 LYS H H 107 8.624 8.624 8.470 0.154 25225 36 1 1 . 1 1 108 108 GLU N N 108 118.533 118.533 117.493 1.040 25225 37 1 1 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.650 0.078 25225 38 1 1 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.597 -3.885 25225 39 1 1 . 1 1 108 108 GLU CB C 108 27.002 27.002 31.411 -4.409 25225 40 1 1 . 1 1 108 108 GLU H H 108 7.627 7.627 8.109 -0.482 25225 41 1 1 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.398 0.159 25225 42 1 1 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.420 -3.787 25225 43 1 1 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.406 -2.834 25225 44 1 1 . 1 1 110 110 MET N N 110 122.942 122.942 123.165 -0.223 25225 45 1 1 . 1 1 110 110 MET HA H 110 4.827 4.827 4.813 0.014 25225 46 1 1 . 1 1 110 110 MET CA C 110 51.502 51.502 53.452 -1.950 25225 47 1 1 . 1 1 110 110 MET CB C 110 34.636 34.636 35.157 -0.521 25225 48 1 1 . 1 1 110 110 MET H H 110 9.017 9.017 7.728 1.289 25225 49 1 1 . 1 1 111 111 THR N N 111 110.441 110.441 110.960 -0.519 25225 50 1 1 . 1 1 111 111 THR HA H 111 4.534 4.534 4.387 0.147 25225 51 1 1 . 1 1 111 111 THR CA C 111 59.025 59.025 61.587 -2.562 25225 52 1 1 . 1 1 111 111 THR H H 111 8.282 8.282 8.163 0.119 25225 53 1 1 . 1 1 112 112 SER N N 112 115.495 115.495 117.235 -1.740 25225 54 1 1 . 1 1 112 112 SER HA H 112 3.890 3.890 4.328 -0.438 25225 55 1 1 . 1 1 112 112 SER CA C 112 57.930 57.930 58.531 -0.601 25225 56 1 1 . 1 1 112 112 SER CB C 112 59.493 59.493 64.283 -4.790 25225 57 1 1 . 1 1 112 112 SER H H 112 8.739 8.739 7.636 1.103 25225 58 1 1 . 1 1 113 113 ALA N N 113 119.080 119.080 123.222 -4.142 25225 59 1 1 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.237 -0.222 25225 60 1 1 . 1 1 113 113 ALA H H 113 8.374 8.374 8.467 -0.093 25225 61 1 1 . 1 1 114 114 SER N N 114 110.843 110.843 112.381 -1.538 25225 62 1 1 . 1 1 114 114 SER HA H 114 4.515 4.515 4.595 -0.080 25225 63 1 1 . 1 1 114 114 SER CA C 114 55.891 55.891 57.602 -1.711 25225 64 1 1 . 1 1 114 114 SER CB C 114 61.376 61.376 64.410 -3.034 25225 65 1 1 . 1 1 114 114 SER H H 114 7.561 7.561 7.732 -0.171 25225 66 1 1 . 1 1 115 115 CYS N N 115 124.537 124.537 122.350 2.187 25225 67 1 1 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.613 0.468 25225 68 1 1 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.162 -4.935 25225 69 1 1 . 1 1 115 115 CYS CB C 115 41.064 41.064 26.968 14.095 25225 70 1 1 . 1 1 115 115 CYS H H 115 7.576 7.576 8.819 -1.243 25225 71 1 1 . 1 1 116 116 ARG N N 116 121.872 121.872 120.538 1.334 25225 72 1 1 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.892 -0.397 25225 73 1 1 . 1 1 116 116 ARG CA C 116 51.903 51.903 54.262 -2.359 25225 74 1 1 . 1 1 116 116 ARG CB C 116 28.608 28.608 29.445 -0.837 25225 75 1 1 . 1 1 116 116 ARG H H 116 7.869 7.869 7.896 -0.027 25225 76 1 1 . 1 1 117 117 THR N N 117 119.541 119.541 116.769 2.772 25225 77 1 1 . 1 1 117 117 THR HA H 117 4.311 4.311 4.637 -0.326 25225 78 1 1 . 1 1 117 117 THR CA C 117 61.472 61.472 60.473 0.999 25225 79 1 1 . 1 1 117 117 THR CB C 117 65.543 65.543 71.569 -6.026 25225 80 1 1 . 1 1 117 117 THR H H 117 8.309 8.309 8.241 0.068 25225 81 1 1 . 1 1 118 118 ILE N N 118 129.953 129.953 124.844 5.109 25225 82 1 1 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.727 0.197 25225 83 1 1 . 1 1 118 118 ILE CA C 118 60.351 60.351 61.901 -1.550 25225 84 1 1 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.038 -2.304 25225 85 1 1 . 1 1 118 118 ILE H H 118 8.949 8.949 8.634 0.315 25225 86 1 1 . 1 1 119 119 THR N N 119 126.753 126.753 123.478 3.275 25225 87 1 1 . 1 1 119 119 THR HA H 119 4.475 4.475 4.633 -0.158 25225 88 1 1 . 1 1 119 119 THR CA C 119 58.200 58.200 60.380 -2.179 25225 89 1 1 . 1 1 119 119 THR CB C 119 67.794 67.794 71.751 -3.957 25225 90 1 1 . 1 1 119 119 THR H H 119 8.711 8.711 8.107 0.604 25225 91 1 1 . 1 1 120 120 ARG N N 120 126.298 126.298 124.593 1.705 25225 92 1 1 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.498 -0.205 25225 93 1 1 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.705 -2.325 25225 94 1 1 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.163 -3.523 25225 95 1 1 . 1 1 120 120 ARG H H 120 8.549 8.549 8.506 0.043 25225 96 1 1 . 1 1 121 121 CYS N N 121 125.959 125.959 125.304 0.655 25225 97 1 1 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.356 0.418 25225 98 1 1 . 1 1 121 121 CYS CA C 121 48.887 48.887 59.164 -10.277 25225 99 1 1 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.091 5.578 25225 100 1 1 . 1 1 121 121 CYS H H 121 8.747 8.747 8.702 0.045 25225 101 1 1 . 1 1 122 122 LYS N N 122 119.892 119.892 122.434 -2.542 25225 102 1 1 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.585 -0.096 25225 103 1 1 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.507 -1.726 25225 104 1 1 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.843 -4.385 25225 105 1 1 . 1 1 122 122 LYS H H 122 8.576 8.576 8.470 0.106 25225 106 1 1 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.328 -0.079 25225 107 1 1 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.868 -1.859 25225 108 1 1 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.151 -3.463 25225 109 1 1 . 1 1 124 124 GLU N N 124 112.877 112.877 118.570 -5.693 25225 110 1 1 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.172 0.050 25225 111 1 1 . 1 1 124 124 GLU CA C 124 54.020 54.020 57.292 -3.272 25225 112 1 1 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.222 -3.449 25225 113 1 1 . 1 1 124 124 GLU H H 124 8.892 8.892 8.267 0.625 25225 114 1 1 . 1 1 125 125 ASP N N 125 120.983 120.983 119.509 1.474 25225 115 1 1 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.661 -0.147 25225 116 1 1 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.383 -1.221 25225 117 1 1 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.687 -4.612 25225 118 1 1 . 1 1 125 125 ASP H H 125 7.675 7.675 7.646 0.029 25225 119 1 1 . 1 1 126 126 THR N N 126 110.714 110.714 109.033 1.681 25225 120 1 1 . 1 1 126 126 THR HA H 126 4.445 4.445 4.478 -0.033 25225 121 1 1 . 1 1 126 126 THR CA C 126 57.795 57.795 62.573 -4.778 25225 122 1 1 . 1 1 126 126 THR CB C 126 68.080 68.080 71.534 -3.454 25225 123 1 1 . 1 1 126 126 THR H H 126 8.139 8.139 8.697 -0.558 25225 124 1 1 . 1 1 127 127 ALA N N 127 123.060 123.060 123.973 -0.913 25225 125 1 1 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.810 0.159 25225 126 1 1 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.173 -2.347 25225 127 1 1 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.229 -0.218 25225 128 1 1 . 1 1 127 127 ALA H H 127 8.408 8.408 7.821 0.587 25225 129 1 1 . 1 1 128 128 CYS N N 128 115.816 115.816 116.705 -0.889 25225 130 1 1 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.702 0.703 25225 131 1 1 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.917 -9.779 25225 132 1 1 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.281 3.447 25225 133 1 1 . 1 1 128 128 CYS H H 128 8.764 8.764 8.657 0.107 25225 134 1 1 . 1 1 129 129 MET N N 129 126.078 126.078 119.873 6.205 25225 135 1 1 . 1 1 129 129 MET HA H 129 5.485 5.485 5.469 0.016 25225 136 1 1 . 1 1 129 129 MET CA C 129 51.630 51.630 54.458 -2.828 25225 137 1 1 . 1 1 129 129 MET CB C 129 35.308 35.308 37.732 -2.424 25225 138 1 1 . 1 1 129 129 MET H H 129 9.366 9.366 8.808 0.558 25225 139 1 1 . 1 1 130 130 THR N N 130 123.706 123.706 118.431 5.275 25225 140 1 1 . 1 1 130 130 THR HA H 130 5.177 5.177 4.816 0.361 25225 141 1 1 . 1 1 130 130 THR CA C 130 59.260 59.260 61.837 -2.577 25225 142 1 1 . 1 1 130 130 THR CB C 130 68.549 68.549 72.037 -3.488 25225 143 1 1 . 1 1 130 130 THR H H 130 8.903 8.903 8.960 -0.057 25225 144 1 1 . 1 1 131 131 THR N N 131 123.644 123.644 122.673 0.971 25225 145 1 1 . 1 1 131 131 THR HA H 131 5.110 5.110 5.171 -0.061 25225 146 1 1 . 1 1 131 131 THR CA C 131 58.370 58.370 61.635 -3.264 25225 147 1 1 . 1 1 131 131 THR CB C 131 66.519 66.519 70.015 -3.496 25225 148 1 1 . 1 1 131 131 THR H H 131 9.284 9.284 8.714 0.570 25225 149 1 1 . 1 1 132 132 LEU N N 132 128.424 128.424 129.095 -0.671 25225 150 1 1 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.846 -0.097 25225 151 1 1 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.945 -2.029 25225 152 1 1 . 1 1 132 132 LEU CB C 132 40.734 40.734 44.502 -3.768 25225 153 1 1 . 1 1 132 132 LEU H H 132 9.132 9.132 8.347 0.785 25225 154 1 1 . 1 1 133 133 VAL N N 133 126.950 126.950 119.435 7.515 25225 155 1 1 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.500 -0.427 25225 156 1 1 . 1 1 133 133 VAL CA C 133 60.262 60.262 60.384 -0.122 25225 157 1 1 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.860 -3.272 25225 158 1 1 . 1 1 133 133 VAL H H 133 8.781 8.781 8.131 0.650 25225 159 1 1 . 1 1 134 134 THR N N 134 115.286 115.286 117.446 -2.160 25225 160 1 1 . 1 1 134 134 THR HA H 134 4.473 4.473 4.124 0.349 25225 161 1 1 . 1 1 134 134 THR CA C 134 58.340 58.340 62.413 -4.073 25225 162 1 1 . 1 1 134 134 THR CB C 134 66.590 66.590 69.761 -3.171 25225 163 1 1 . 1 1 134 134 THR H H 134 7.870 7.870 7.832 0.038 25225 164 1 1 . 1 1 135 135 VAL N N 135 121.196 121.196 119.399 1.797 25225 165 1 1 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.833 0.458 25225 166 1 1 . 1 1 135 135 VAL CA C 135 58.549 58.549 64.343 -5.794 25225 167 1 1 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.895 -1.691 25225 168 1 1 . 1 1 135 135 VAL H H 135 8.142 8.142 8.108 0.034 25225 169 1 1 . 1 1 136 136 GLU N N 136 123.911 123.911 117.658 6.253 25225 170 1 1 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.085 0.237 25225 171 1 1 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.956 -3.500 25225 172 1 1 . 1 1 136 136 GLU CB C 136 32.388 32.388 28.001 4.387 25225 173 1 1 . 1 1 136 136 GLU H H 136 8.424 8.424 8.221 0.203 25225 174 1 1 . 1 1 137 137 ALA N N 137 124.105 124.105 121.219 2.886 25225 175 1 1 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.275 0.013 25225 176 1 1 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.554 -1.847 25225 177 1 1 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.772 -3.479 25225 178 1 1 . 1 1 137 137 ALA H H 137 8.292 8.292 7.463 0.829 25225 179 1 1 . 1 1 138 138 GLU N N 138 117.459 117.459 120.936 -3.477 25225 180 1 1 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.069 0.193 25225 181 1 1 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.724 -4.121 25225 182 1 1 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.674 -2.817 25225 183 1 1 . 1 1 138 138 GLU H H 138 8.137 8.137 8.496 -0.359 25225 184 1 1 . 1 1 139 139 TYR N N 139 119.908 119.908 119.300 0.608 25225 185 1 1 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.708 0.088 25225 186 1 1 . 1 1 139 139 TYR CA C 139 52.684 52.684 53.495 -0.811 25225 187 1 1 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.270 -2.881 25225 188 1 1 . 1 1 139 139 TYR H H 139 7.916 7.916 7.802 0.114 25225 189 1 1 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.564 -0.224 25225 190 1 1 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.069 -2.400 25225 191 1 1 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.864 -2.352 25225 192 1 1 . 1 1 141 141 PHE N N 141 117.257 117.257 122.969 -5.712 25225 193 1 1 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.513 0.090 25225 194 1 1 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.087 -4.520 25225 195 1 1 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.314 -3.638 25225 196 1 1 . 1 1 141 141 PHE H H 141 7.755 7.755 8.529 -0.774 25225 197 1 1 . 1 1 142 142 ASN N N 142 118.560 118.560 117.726 0.834 25225 198 1 1 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.702 -0.047 25225 199 1 1 . 1 1 142 142 ASN CA C 142 50.310 50.310 54.282 -3.972 25225 200 1 1 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.280 -3.925 25225 201 1 1 . 1 1 142 142 ASN H H 142 8.101 8.101 8.828 -0.727 25225 202 1 1 . 1 1 143 143 GLN N N 143 119.234 119.234 117.110 2.124 25225 203 1 1 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.562 -0.183 25225 204 1 1 . 1 1 143 143 GLN CA C 143 52.922 52.922 54.642 -1.720 25225 205 1 1 . 1 1 143 143 GLN CB C 143 26.499 26.499 31.547 -5.048 25225 206 1 1 . 1 1 143 143 GLN H H 143 8.222 8.222 7.834 0.388 25225 207 1 1 . 1 1 144 144 SER N N 144 117.221 117.221 115.833 1.388 25225 208 1 1 . 1 1 144 144 SER HA H 144 4.830 4.830 4.843 -0.013 25225 209 1 1 . 1 1 144 144 SER CA C 144 53.218 53.218 55.028 -1.810 25225 210 1 1 . 1 1 144 144 SER CB C 144 60.633 60.633 65.534 -4.901 25225 211 1 1 . 1 1 144 144 SER H H 144 8.248 8.248 8.453 -0.205 25225 212 1 1 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.420 0.153 25225 213 1 1 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.934 -2.894 25225 214 1 1 . 1 1 145 145 PRO CB C 145 29.313 29.313 31.151 -1.838 25225 215 1 1 . 1 1 146 146 VAL N N 146 120.628 120.628 124.126 -3.498 25225 216 1 1 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.356 -0.052 25225 217 1 1 . 1 1 146 146 VAL CA C 146 58.340 58.340 61.087 -2.747 25225 218 1 1 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.701 -4.641 25225 219 1 1 . 1 1 146 146 VAL H H 146 8.330 8.330 7.934 0.396 25225 220 1 1 . 1 1 147 147 VAL N N 147 116.972 116.972 120.613 -3.641 25225 221 1 1 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.703 1.001 25225 222 1 1 . 1 1 147 147 VAL H H 147 9.040 9.040 8.081 0.959 25225 223 1 1 . 1 1 148 148 THR N N 148 107.103 107.103 112.025 -4.922 25225 224 1 1 . 1 1 148 148 THR HA H 148 4.906 4.906 4.709 0.197 25225 225 1 1 . 1 1 148 148 THR CA C 148 58.020 58.020 61.097 -3.077 25225 226 1 1 . 1 1 148 148 THR CB C 148 67.765 67.765 71.382 -3.616 25225 227 1 1 . 1 1 148 148 THR H H 148 8.442 8.442 8.021 0.421 25225 228 1 1 . 1 1 149 149 ARG N N 149 120.370 120.370 127.116 -6.746 25225 229 1 1 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.755 0.876 25225 230 1 1 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.673 -3.694 25225 231 1 1 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.328 0.933 25225 232 1 1 . 1 1 149 149 ARG H H 149 7.623 7.623 8.857 -1.234 25225 233 1 1 . 1 1 150 150 SER N N 150 113.789 113.789 119.311 -5.522 25225 234 1 1 . 1 1 150 150 SER HA H 150 4.790 4.790 4.721 0.069 25225 235 1 1 . 1 1 150 150 SER CA C 150 54.647 54.647 57.047 -2.400 25225 236 1 1 . 1 1 150 150 SER CB C 150 63.412 63.412 67.147 -3.736 25225 237 1 1 . 1 1 150 150 SER H H 150 8.709 8.709 8.074 0.635 25225 238 1 1 . 1 1 151 151 CYS N N 151 120.824 120.824 121.694 -0.870 25225 239 1 1 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.425 0.716 25225 240 1 1 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.248 -4.153 25225 241 1 1 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.986 14.035 25225 242 1 1 . 1 1 151 151 CYS H H 151 8.473 8.473 8.652 -0.179 25225 243 1 1 . 1 1 152 152 SER N N 152 115.253 115.253 115.177 0.076 25225 244 1 1 . 1 1 152 152 SER HA H 152 4.834 4.834 4.677 0.157 25225 245 1 1 . 1 1 152 152 SER CA C 152 54.771 54.771 57.539 -2.768 25225 246 1 1 . 1 1 152 152 SER CB C 152 62.761 62.761 65.816 -3.055 25225 247 1 1 . 1 1 152 152 SER H H 152 9.052 9.052 8.884 0.168 25225 248 1 1 . 1 1 153 153 SER N N 153 120.787 120.787 116.353 4.434 25225 249 1 1 . 1 1 153 153 SER HA H 153 4.930 4.930 4.962 -0.032 25225 250 1 1 . 1 1 153 153 SER CA C 153 55.479 55.479 57.536 -2.058 25225 251 1 1 . 1 1 153 153 SER CB C 153 61.137 61.137 63.691 -2.554 25225 252 1 1 . 1 1 153 153 SER H H 153 8.783 8.783 8.808 -0.025 25225 253 1 1 . 1 1 154 154 SER N N 154 117.808 117.808 115.860 1.948 25225 254 1 1 . 1 1 154 154 SER HA H 154 4.555 4.555 4.682 -0.127 25225 255 1 1 . 1 1 154 154 SER CA C 154 54.084 54.084 58.450 -4.366 25225 256 1 1 . 1 1 154 154 SER CB C 154 60.141 60.141 64.297 -4.156 25225 257 1 1 . 1 1 154 154 SER H H 154 8.300 8.300 7.618 0.682 25225 258 1 1 . 1 1 155 155 CYS N N 155 125.978 125.978 126.404 -0.426 25225 259 1 1 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.420 -0.048 25225 260 1 1 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.519 -3.881 25225 261 1 1 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.023 12.277 25225 262 1 1 . 1 1 155 155 CYS H H 155 8.668 8.668 8.840 -0.172 25225 263 1 1 . 1 1 156 156 VAL N N 156 129.527 129.527 124.555 4.972 25225 264 1 1 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.457 -0.292 25225 265 1 1 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.160 -2.217 25225 266 1 1 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.795 -4.414 25225 267 1 1 . 1 1 156 156 VAL H H 156 8.239 8.239 7.875 0.364 25225 268 1 1 . 1 1 157 157 ALA N N 157 130.280 130.280 128.302 1.978 25225 269 1 1 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.350 -0.208 25225 270 1 1 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.438 -3.391 25225 271 1 1 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.127 -2.560 25225 272 1 1 . 1 1 157 157 ALA H H 157 8.414 8.414 8.259 0.155 25225 273 1 1 . 1 1 158 158 THR N N 158 115.127 115.127 115.679 -0.552 25225 274 1 1 . 1 1 158 158 THR HA H 158 4.214 4.214 4.455 -0.241 25225 275 1 1 . 1 1 158 158 THR CA C 158 59.207 59.207 62.045 -2.838 25225 276 1 1 . 1 1 158 158 THR CB C 158 66.814 66.814 69.697 -2.883 25225 277 1 1 . 1 1 158 158 THR H H 158 8.219 8.219 8.129 0.090 25225 278 1 1 . 1 1 159 159 ASP N N 159 125.274 125.274 127.750 -2.476 25225 279 1 1 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.010 -0.152 25225 280 1 1 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.255 -2.940 25225 281 1 1 . 1 1 159 159 ASP CB C 159 38.260 38.260 41.681 -3.421 25225 282 1 1 . 1 1 159 159 ASP H H 159 8.548 8.548 8.373 0.175 25225 283 1 1 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.472 -0.092 25225 284 1 1 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.703 -2.384 25225 285 1 1 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.266 -3.264 25225 286 1 1 . 1 1 161 161 ASP N N 161 116.981 116.981 117.961 -0.980 25225 287 1 1 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.558 0.151 25225 288 1 1 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.783 -3.400 25225 289 1 1 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.977 -3.369 25225 290 1 1 . 1 1 161 161 ASP H H 161 8.402 8.402 8.114 0.288 25225 291 1 1 . 1 1 162 162 SER N N 162 115.678 115.678 113.153 2.525 25225 292 1 1 . 1 1 162 162 SER HA H 162 4.477 4.477 4.133 0.344 25225 293 1 1 . 1 1 162 162 SER CA C 162 55.371 55.371 58.804 -3.433 25225 294 1 1 . 1 1 162 162 SER CB C 162 60.763 60.763 62.441 -1.678 25225 295 1 1 . 1 1 162 162 SER H H 162 7.865 7.865 8.169 -0.304 25225 296 1 1 . 1 1 163 163 ILE N N 163 122.425 122.425 118.844 3.581 25225 297 1 1 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.001 0.189 25225 298 1 1 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.712 -4.173 25225 299 1 1 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.380 -2.817 25225 300 1 1 . 1 1 163 163 ILE H H 163 8.098 8.098 7.883 0.215 25225 301 1 1 . 1 1 164 164 GLY N N 164 112.830 112.830 106.020 6.810 25225 302 1 1 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.050 -2.708 25225 303 1 1 . 1 1 164 164 GLY H H 164 8.564 8.564 7.818 0.746 25225 304 1 1 . 1 1 165 165 ALA N N 165 123.606 123.606 120.630 2.976 25225 305 1 1 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.919 0.399 25225 306 1 1 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.845 -3.657 25225 307 1 1 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.732 -1.574 25225 308 1 1 . 1 1 165 165 ALA H H 165 7.901 7.901 8.364 -0.463 25225 309 1 1 . 1 1 166 166 ALA N N 166 122.736 122.736 119.235 3.501 25225 310 1 1 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.006 0.226 25225 311 1 1 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.011 -3.233 25225 312 1 1 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.372 -3.201 25225 313 1 1 . 1 1 166 166 ALA H H 166 8.243 8.243 8.285 -0.042 25225 314 1 1 . 1 1 167 167 HIS N N 167 114.237 114.237 115.163 -0.926 25225 315 1 1 . 1 1 167 167 HIS HA H 167 4.987 4.987 5.062 -0.075 25225 316 1 1 . 1 1 167 167 HIS CA C 167 51.148 51.148 54.508 -3.360 25225 317 1 1 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.348 -3.127 25225 318 1 1 . 1 1 167 167 HIS H H 167 7.931 7.931 7.762 0.169 25225 319 1 1 . 1 1 168 168 LEU N N 168 123.034 123.034 125.585 -2.551 25225 320 1 1 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.535 -0.055 25225 321 1 1 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.294 -2.249 25225 322 1 1 . 1 1 168 168 LEU CB C 168 40.719 40.719 44.151 -3.432 25225 323 1 1 . 1 1 168 168 LEU H H 168 8.371 8.371 8.179 0.192 25225 324 1 1 . 1 1 169 169 ILE N N 169 121.493 121.493 121.622 -0.129 25225 325 1 1 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.821 0.086 25225 326 1 1 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.107 -3.251 25225 327 1 1 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.517 -1.053 25225 328 1 1 . 1 1 169 169 ILE H H 169 8.097 8.097 8.105 -0.008 25225 329 1 1 . 1 1 170 170 PHE N N 170 125.500 125.500 126.965 -1.465 25225 330 1 1 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.736 0.194 25225 331 1 1 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.290 -5.487 25225 332 1 1 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.061 -3.288 25225 333 1 1 . 1 1 170 170 PHE H H 170 9.246 9.246 8.309 0.937 25225 334 1 1 . 1 1 171 171 CYS N N 171 118.630 118.630 115.183 3.447 25225 335 1 1 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.357 0.004 25225 336 1 1 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.109 -6.240 25225 337 1 1 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.943 12.428 25225 338 1 1 . 1 1 171 171 CYS H H 171 8.577 8.577 8.296 0.281 25225 339 1 1 . 1 1 172 172 CYS N N 172 118.255 118.255 116.330 1.925 25225 340 1 1 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.495 -0.036 25225 341 1 1 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.218 -5.326 25225 342 1 1 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.752 11.379 25225 343 1 1 . 1 1 172 172 CYS H H 172 8.679 8.679 8.356 0.323 25225 344 1 1 . 1 1 173 173 PHE N N 173 119.428 119.428 117.956 1.472 25225 345 1 1 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.939 0.209 25225 346 1 1 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.407 -2.164 25225 347 1 1 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.344 -1.904 25225 348 1 1 . 1 1 173 173 PHE H H 173 8.810 8.810 8.620 0.190 25225 349 1 1 . 1 1 174 174 ARG N N 174 119.247 119.247 120.952 -1.705 25225 350 1 1 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.581 0.193 25225 351 1 1 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.809 -3.674 25225 352 1 1 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.079 -1.850 25225 353 1 1 . 1 1 174 174 ARG H H 174 7.450 7.450 7.754 -0.304 25225 354 1 1 . 1 1 175 175 ASP N N 175 119.844 119.844 123.897 -4.053 25225 355 1 1 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.802 0.044 25225 356 1 1 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.200 -2.686 25225 357 1 1 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.613 -2.078 25225 358 1 1 . 1 1 175 175 ASP H H 175 8.290 8.290 8.648 -0.358 25225 359 1 1 . 1 1 176 176 LEU N N 176 114.448 114.448 118.804 -4.356 25225 360 1 1 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.807 -0.463 25225 361 1 1 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.221 -3.082 25225 362 1 1 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.103 -5.218 25225 363 1 1 . 1 1 176 176 LEU H H 176 9.298 9.298 8.717 0.581 25225 364 1 1 . 1 1 177 177 CYS N N 177 112.101 112.101 115.652 -3.551 25225 365 1 1 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.208 0.339 25225 366 1 1 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.199 -6.667 25225 367 1 1 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.101 14.481 25225 368 1 1 . 1 1 177 177 CYS H H 177 7.834 7.834 8.120 -0.286 25225 369 1 1 . 1 1 178 178 ASN N N 178 122.157 122.157 118.338 3.819 25225 370 1 1 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.706 0.072 25225 371 1 1 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.688 -3.124 25225 372 1 1 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.455 -7.317 25225 373 1 1 . 1 1 178 178 ASN H H 178 9.014 9.014 7.802 1.212 25225 374 1 1 . 1 1 179 179 SER N N 179 109.444 109.444 114.782 -5.338 25225 375 1 1 . 1 1 179 179 SER HA H 179 3.945 3.945 3.927 0.018 25225 376 1 1 . 1 1 179 179 SER CA C 179 55.092 55.092 57.539 -2.447 25225 377 1 1 . 1 1 179 179 SER CB C 179 59.118 59.118 63.509 -4.391 25225 378 1 1 . 1 1 179 179 SER H H 179 7.482 7.482 8.317 -0.835 25225 379 1 1 . 1 1 180 180 GLU N N 180 120.035 120.035 121.476 -1.441 25225 380 1 1 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.216 0.143 25225 381 1 1 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.370 -4.144 25225 382 1 1 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.107 -1.668 25225 383 1 1 . 1 1 180 180 GLU H H 180 7.936 7.936 7.786 0.150 25225 384 1 2 . 1 1 101 101 LEU N N 101 127.862 127.862 124.093 3.769 25225 385 1 2 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.626 0.008 25225 386 1 2 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.712 -2.836 25225 387 1 2 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.447 -0.426 25225 388 1 2 . 1 1 101 101 LEU H H 101 8.754 8.754 8.606 0.148 25225 389 1 2 . 1 1 102 102 LYS N N 102 121.006 121.006 126.447 -5.441 25225 390 1 2 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.135 0.126 25225 391 1 2 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.417 -3.825 25225 392 1 2 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.191 -3.172 25225 393 1 2 . 1 1 102 102 LYS H H 102 7.879 7.879 8.214 -0.335 25225 394 1 2 . 1 1 103 103 CYS N N 103 117.708 117.708 121.531 -3.823 25225 395 1 2 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.788 0.158 25225 396 1 2 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.327 -9.329 25225 397 1 2 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.614 8.298 25225 398 1 2 . 1 1 103 103 CYS H H 103 8.427 8.427 8.475 -0.048 25225 399 1 2 . 1 1 104 104 TYR N N 104 121.098 121.098 123.101 -2.003 25225 400 1 2 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.643 0.493 25225 401 1 2 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.941 -3.399 25225 402 1 2 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.212 -2.429 25225 403 1 2 . 1 1 104 104 TYR H H 104 8.442 8.442 9.210 -0.768 25225 404 1 2 . 1 1 105 105 THR N N 105 110.634 110.634 116.662 -6.028 25225 405 1 2 . 1 1 105 105 THR HA H 105 4.624 4.624 4.797 -0.173 25225 406 1 2 . 1 1 105 105 THR CA C 105 57.375 57.375 59.980 -2.604 25225 407 1 2 . 1 1 105 105 THR CB C 105 70.082 70.082 70.727 -0.645 25225 408 1 2 . 1 1 105 105 THR H H 105 9.312 9.312 8.339 0.973 25225 409 1 2 . 1 1 106 106 CYS N N 106 109.134 109.134 122.839 -13.705 25225 410 1 2 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.716 0.126 25225 411 1 2 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.236 -3.002 25225 412 1 2 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.327 13.771 25225 413 1 2 . 1 1 106 106 CYS H H 106 8.260 8.260 8.654 -0.394 25225 414 1 2 . 1 1 107 107 LYS N N 107 120.821 120.821 121.527 -0.706 25225 415 1 2 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.135 0.233 25225 416 1 2 . 1 1 107 107 LYS CA C 107 54.209 54.209 58.502 -4.293 25225 417 1 2 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.847 -2.280 25225 418 1 2 . 1 1 107 107 LYS H H 107 8.624 8.624 8.619 0.005 25225 419 1 2 . 1 1 108 108 GLU N N 108 118.533 118.533 116.919 1.614 25225 420 1 2 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.705 0.023 25225 421 1 2 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.879 -4.167 25225 422 1 2 . 1 1 108 108 GLU CB C 108 27.002 27.002 31.879 -4.877 25225 423 1 2 . 1 1 108 108 GLU H H 108 7.627 7.627 8.038 -0.411 25225 424 1 2 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.409 0.148 25225 425 1 2 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.186 -3.553 25225 426 1 2 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.301 -2.729 25225 427 1 2 . 1 1 110 110 MET N N 110 122.942 122.942 122.243 0.699 25225 428 1 2 . 1 1 110 110 MET HA H 110 4.827 4.827 4.644 0.183 25225 429 1 2 . 1 1 110 110 MET CA C 110 51.502 51.502 54.424 -2.922 25225 430 1 2 . 1 1 110 110 MET CB C 110 34.636 34.636 35.891 -1.255 25225 431 1 2 . 1 1 110 110 MET H H 110 9.017 9.017 7.776 1.241 25225 432 1 2 . 1 1 111 111 THR N N 111 110.441 110.441 116.150 -5.709 25225 433 1 2 . 1 1 111 111 THR HA H 111 4.534 4.534 4.123 0.411 25225 434 1 2 . 1 1 111 111 THR CA C 111 59.025 59.025 63.777 -4.752 25225 435 1 2 . 1 1 111 111 THR H H 111 8.282 8.282 8.448 -0.166 25225 436 1 2 . 1 1 112 112 SER N N 112 115.495 115.495 116.343 -0.848 25225 437 1 2 . 1 1 112 112 SER HA H 112 3.890 3.890 4.383 -0.493 25225 438 1 2 . 1 1 112 112 SER CA C 112 57.930 57.930 58.070 -0.140 25225 439 1 2 . 1 1 112 112 SER CB C 112 59.493 59.493 63.665 -4.172 25225 440 1 2 . 1 1 112 112 SER H H 112 8.739 8.739 7.647 1.092 25225 441 1 2 . 1 1 113 113 ALA N N 113 119.080 119.080 127.175 -8.095 25225 442 1 2 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.184 -0.169 25225 443 1 2 . 1 1 113 113 ALA H H 113 8.374 8.374 8.057 0.317 25225 444 1 2 . 1 1 114 114 SER N N 114 110.843 110.843 110.497 0.346 25225 445 1 2 . 1 1 114 114 SER HA H 114 4.515 4.515 3.997 0.518 25225 446 1 2 . 1 1 114 114 SER CA C 114 55.891 55.891 58.930 -3.039 25225 447 1 2 . 1 1 114 114 SER CB C 114 61.376 61.376 62.107 -0.731 25225 448 1 2 . 1 1 114 114 SER H H 114 7.561 7.561 8.407 -0.846 25225 449 1 2 . 1 1 115 115 CYS N N 115 124.537 124.537 122.056 2.481 25225 450 1 2 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.409 0.672 25225 451 1 2 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.804 -5.577 25225 452 1 2 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.269 16.795 25225 453 1 2 . 1 1 115 115 CYS H H 115 7.576 7.576 8.493 -0.917 25225 454 1 2 . 1 1 116 116 ARG N N 116 121.872 121.872 122.039 -0.167 25225 455 1 2 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.698 -0.203 25225 456 1 2 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.066 -3.163 25225 457 1 2 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.953 -3.345 25225 458 1 2 . 1 1 116 116 ARG H H 116 7.869 7.869 7.865 0.004 25225 459 1 2 . 1 1 117 117 THR N N 117 119.541 119.541 116.208 3.333 25225 460 1 2 . 1 1 117 117 THR HA H 117 4.311 4.311 4.700 -0.389 25225 461 1 2 . 1 1 117 117 THR CA C 117 61.472 61.472 60.433 1.039 25225 462 1 2 . 1 1 117 117 THR CB C 117 65.543 65.543 72.035 -6.492 25225 463 1 2 . 1 1 117 117 THR H H 117 8.309 8.309 8.212 0.097 25225 464 1 2 . 1 1 118 118 ILE N N 118 129.953 129.953 124.376 5.577 25225 465 1 2 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.764 0.160 25225 466 1 2 . 1 1 118 118 ILE CA C 118 60.351 60.351 61.857 -1.506 25225 467 1 2 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.072 -2.337 25225 468 1 2 . 1 1 118 118 ILE H H 118 8.949 8.949 8.473 0.476 25225 469 1 2 . 1 1 119 119 THR N N 119 126.753 126.753 123.917 2.836 25225 470 1 2 . 1 1 119 119 THR HA H 119 4.475 4.475 4.621 -0.146 25225 471 1 2 . 1 1 119 119 THR CA C 119 58.200 58.200 60.798 -2.598 25225 472 1 2 . 1 1 119 119 THR CB C 119 67.794 67.794 71.702 -3.908 25225 473 1 2 . 1 1 119 119 THR H H 119 8.711 8.711 8.241 0.470 25225 474 1 2 . 1 1 120 120 ARG N N 120 126.298 126.298 124.482 1.816 25225 475 1 2 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.494 -0.201 25225 476 1 2 . 1 1 120 120 ARG CA C 120 53.380 53.380 56.046 -2.666 25225 477 1 2 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.916 -3.276 25225 478 1 2 . 1 1 120 120 ARG H H 120 8.549 8.549 8.407 0.142 25225 479 1 2 . 1 1 121 121 CYS N N 121 125.959 125.959 125.129 0.830 25225 480 1 2 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.398 0.376 25225 481 1 2 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.690 -9.803 25225 482 1 2 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.178 5.490 25225 483 1 2 . 1 1 121 121 CYS H H 121 8.747 8.747 8.830 -0.083 25225 484 1 2 . 1 1 122 122 LYS N N 122 119.892 119.892 122.791 -2.899 25225 485 1 2 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.604 -0.115 25225 486 1 2 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.697 -1.916 25225 487 1 2 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.725 -4.267 25225 488 1 2 . 1 1 122 122 LYS H H 122 8.576 8.576 8.409 0.167 25225 489 1 2 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.344 -0.095 25225 490 1 2 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.906 -1.897 25225 491 1 2 . 1 1 123 123 PRO CB C 123 28.688 28.688 31.994 -3.306 25225 492 1 2 . 1 1 124 124 GLU N N 124 112.877 112.877 118.722 -5.845 25225 493 1 2 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.290 -0.068 25225 494 1 2 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.719 -2.699 25225 495 1 2 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.408 -3.635 25225 496 1 2 . 1 1 124 124 GLU H H 124 8.892 8.892 8.462 0.430 25225 497 1 2 . 1 1 125 125 ASP N N 125 120.983 120.983 119.273 1.710 25225 498 1 2 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.737 -0.223 25225 499 1 2 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.583 -1.421 25225 500 1 2 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.673 -4.598 25225 501 1 2 . 1 1 125 125 ASP H H 125 7.675 7.675 7.444 0.231 25225 502 1 2 . 1 1 126 126 THR N N 126 110.714 110.714 109.363 1.351 25225 503 1 2 . 1 1 126 126 THR HA H 126 4.445 4.445 4.524 -0.079 25225 504 1 2 . 1 1 126 126 THR CA C 126 57.795 57.795 62.494 -4.699 25225 505 1 2 . 1 1 126 126 THR CB C 126 68.080 68.080 71.360 -3.280 25225 506 1 2 . 1 1 126 126 THR H H 126 8.139 8.139 8.663 -0.524 25225 507 1 2 . 1 1 127 127 ALA N N 127 123.060 123.060 122.551 0.509 25225 508 1 2 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.564 0.405 25225 509 1 2 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.463 -1.637 25225 510 1 2 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.381 0.630 25225 511 1 2 . 1 1 127 127 ALA H H 127 8.408 8.408 7.592 0.816 25225 512 1 2 . 1 1 128 128 CYS N N 128 115.816 115.816 116.362 -0.546 25225 513 1 2 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.685 0.720 25225 514 1 2 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.873 -9.735 25225 515 1 2 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.417 3.311 25225 516 1 2 . 1 1 128 128 CYS H H 128 8.764 8.764 8.565 0.199 25225 517 1 2 . 1 1 129 129 MET N N 129 126.078 126.078 119.705 6.373 25225 518 1 2 . 1 1 129 129 MET HA H 129 5.485 5.485 5.530 -0.045 25225 519 1 2 . 1 1 129 129 MET CA C 129 51.630 51.630 54.432 -2.802 25225 520 1 2 . 1 1 129 129 MET CB C 129 35.308 35.308 37.756 -2.448 25225 521 1 2 . 1 1 129 129 MET H H 129 9.366 9.366 8.851 0.515 25225 522 1 2 . 1 1 130 130 THR N N 130 123.706 123.706 117.441 6.265 25225 523 1 2 . 1 1 130 130 THR HA H 130 5.177 5.177 4.954 0.223 25225 524 1 2 . 1 1 130 130 THR CA C 130 59.260 59.260 61.766 -2.506 25225 525 1 2 . 1 1 130 130 THR CB C 130 68.549 68.549 72.141 -3.592 25225 526 1 2 . 1 1 130 130 THR H H 130 8.903 8.903 8.932 -0.029 25225 527 1 2 . 1 1 131 131 THR N N 131 123.644 123.644 120.108 3.536 25225 528 1 2 . 1 1 131 131 THR HA H 131 5.110 5.110 5.118 -0.008 25225 529 1 2 . 1 1 131 131 THR CA C 131 58.370 58.370 61.902 -3.532 25225 530 1 2 . 1 1 131 131 THR CB C 131 66.519 66.519 69.568 -3.049 25225 531 1 2 . 1 1 131 131 THR H H 131 9.284 9.284 8.684 0.600 25225 532 1 2 . 1 1 132 132 LEU N N 132 128.424 128.424 125.904 2.520 25225 533 1 2 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.813 -0.064 25225 534 1 2 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.784 -1.868 25225 535 1 2 . 1 1 132 132 LEU CB C 132 40.734 40.734 46.747 -6.013 25225 536 1 2 . 1 1 132 132 LEU H H 132 9.132 9.132 8.853 0.279 25225 537 1 2 . 1 1 133 133 VAL N N 133 126.950 126.950 116.246 10.704 25225 538 1 2 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.584 -0.511 25225 539 1 2 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.512 -1.250 25225 540 1 2 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.315 -2.727 25225 541 1 2 . 1 1 133 133 VAL H H 133 8.781 8.781 8.348 0.433 25225 542 1 2 . 1 1 134 134 THR N N 134 115.286 115.286 118.999 -3.713 25225 543 1 2 . 1 1 134 134 THR HA H 134 4.473 4.473 4.440 0.033 25225 544 1 2 . 1 1 134 134 THR CA C 134 58.340 58.340 62.178 -3.838 25225 545 1 2 . 1 1 134 134 THR CB C 134 66.590 66.590 69.249 -2.659 25225 546 1 2 . 1 1 134 134 THR H H 134 7.870 7.870 8.311 -0.441 25225 547 1 2 . 1 1 135 135 VAL N N 135 121.196 121.196 122.369 -1.173 25225 548 1 2 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.272 0.019 25225 549 1 2 . 1 1 135 135 VAL CA C 135 58.549 58.549 61.784 -3.235 25225 550 1 2 . 1 1 135 135 VAL CB C 135 30.204 30.204 33.207 -3.003 25225 551 1 2 . 1 1 135 135 VAL H H 135 8.142 8.142 7.459 0.683 25225 552 1 2 . 1 1 136 136 GLU N N 136 123.911 123.911 126.764 -2.853 25225 553 1 2 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.443 -0.121 25225 554 1 2 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.478 -3.022 25225 555 1 2 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.365 3.023 25225 556 1 2 . 1 1 136 136 GLU H H 136 8.424 8.424 8.896 -0.472 25225 557 1 2 . 1 1 137 137 ALA N N 137 124.105 124.105 123.861 0.244 25225 558 1 2 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.254 0.034 25225 559 1 2 . 1 1 137 137 ALA CA C 137 49.707 49.707 53.126 -3.419 25225 560 1 2 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.201 -2.908 25225 561 1 2 . 1 1 137 137 ALA H H 137 8.292 8.292 8.306 -0.014 25225 562 1 2 . 1 1 138 138 GLU N N 138 117.459 117.459 116.030 1.429 25225 563 1 2 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.161 0.101 25225 564 1 2 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.712 -2.109 25225 565 1 2 . 1 1 138 138 GLU CB C 138 26.856 26.856 30.680 -3.824 25225 566 1 2 . 1 1 138 138 GLU H H 138 8.137 8.137 8.011 0.126 25225 567 1 2 . 1 1 139 139 TYR N N 139 119.908 119.908 117.730 2.178 25225 568 1 2 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.882 -0.086 25225 569 1 2 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.190 -2.506 25225 570 1 2 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.494 -3.105 25225 571 1 2 . 1 1 139 139 TYR H H 139 7.916 7.916 7.578 0.338 25225 572 1 2 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.339 0.001 25225 573 1 2 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.187 -1.518 25225 574 1 2 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.646 -4.134 25225 575 1 2 . 1 1 141 141 PHE N N 141 117.257 117.257 116.180 1.077 25225 576 1 2 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.489 0.114 25225 577 1 2 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.023 -4.456 25225 578 1 2 . 1 1 141 141 PHE CB C 141 35.676 35.676 38.670 -2.994 25225 579 1 2 . 1 1 141 141 PHE H H 141 7.755 7.755 8.283 -0.528 25225 580 1 2 . 1 1 142 142 ASN N N 142 118.560 118.560 118.451 0.109 25225 581 1 2 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.723 -0.068 25225 582 1 2 . 1 1 142 142 ASN CA C 142 50.310 50.310 54.222 -3.912 25225 583 1 2 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.975 -3.620 25225 584 1 2 . 1 1 142 142 ASN H H 142 8.101 8.101 8.257 -0.156 25225 585 1 2 . 1 1 143 143 GLN N N 143 119.234 119.234 118.410 0.824 25225 586 1 2 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.488 -0.109 25225 587 1 2 . 1 1 143 143 GLN CA C 143 52.922 52.922 55.000 -2.078 25225 588 1 2 . 1 1 143 143 GLN CB C 143 26.499 26.499 31.849 -5.350 25225 589 1 2 . 1 1 143 143 GLN H H 143 8.222 8.222 8.295 -0.073 25225 590 1 2 . 1 1 144 144 SER N N 144 117.221 117.221 114.880 2.341 25225 591 1 2 . 1 1 144 144 SER HA H 144 4.830 4.830 4.250 0.580 25225 592 1 2 . 1 1 144 144 SER CA C 144 53.218 53.218 58.066 -4.848 25225 593 1 2 . 1 1 144 144 SER CB C 144 60.633 60.633 62.052 -1.419 25225 594 1 2 . 1 1 144 144 SER H H 144 8.248 8.248 8.525 -0.277 25225 595 1 2 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.469 0.105 25225 596 1 2 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.974 -2.934 25225 597 1 2 . 1 1 145 145 PRO CB C 145 29.313 29.313 31.915 -2.602 25225 598 1 2 . 1 1 146 146 VAL N N 146 120.628 120.628 121.481 -0.853 25225 599 1 2 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.564 -0.260 25225 600 1 2 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.857 -2.517 25225 601 1 2 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.253 -4.193 25225 602 1 2 . 1 1 146 146 VAL H H 146 8.330 8.330 7.986 0.344 25225 603 1 2 . 1 1 147 147 VAL N N 147 116.972 116.972 119.332 -2.360 25225 604 1 2 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.635 1.069 25225 605 1 2 . 1 1 147 147 VAL H H 147 9.040 9.040 8.128 0.912 25225 606 1 2 . 1 1 148 148 THR N N 148 107.103 107.103 111.678 -4.575 25225 607 1 2 . 1 1 148 148 THR HA H 148 4.906 4.906 4.693 0.213 25225 608 1 2 . 1 1 148 148 THR CA C 148 58.020 58.020 60.646 -2.626 25225 609 1 2 . 1 1 148 148 THR CB C 148 67.765 67.765 71.713 -3.948 25225 610 1 2 . 1 1 148 148 THR H H 148 8.442 8.442 7.932 0.510 25225 611 1 2 . 1 1 149 149 ARG N N 149 120.370 120.370 124.577 -4.207 25225 612 1 2 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.873 0.758 25225 613 1 2 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.483 -3.504 25225 614 1 2 . 1 1 149 149 ARG CB C 149 33.261 33.261 33.189 0.072 25225 615 1 2 . 1 1 149 149 ARG H H 149 7.623 7.623 8.822 -1.199 25225 616 1 2 . 1 1 150 150 SER N N 150 113.789 113.789 118.291 -4.502 25225 617 1 2 . 1 1 150 150 SER HA H 150 4.790 4.790 4.789 0.001 25225 618 1 2 . 1 1 150 150 SER CA C 150 54.647 54.647 56.705 -2.058 25225 619 1 2 . 1 1 150 150 SER CB C 150 63.412 63.412 66.393 -2.981 25225 620 1 2 . 1 1 150 150 SER H H 150 8.709 8.709 8.070 0.639 25225 621 1 2 . 1 1 151 151 CYS N N 151 120.824 120.824 120.892 -0.068 25225 622 1 2 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.430 0.711 25225 623 1 2 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.538 -4.443 25225 624 1 2 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.267 14.754 25225 625 1 2 . 1 1 151 151 CYS H H 151 8.473 8.473 8.579 -0.106 25225 626 1 2 . 1 1 152 152 SER N N 152 115.253 115.253 115.324 -0.071 25225 627 1 2 . 1 1 152 152 SER HA H 152 4.834 4.834 4.630 0.204 25225 628 1 2 . 1 1 152 152 SER CA C 152 54.771 54.771 57.352 -2.581 25225 629 1 2 . 1 1 152 152 SER CB C 152 62.761 62.761 65.609 -2.848 25225 630 1 2 . 1 1 152 152 SER H H 152 9.052 9.052 8.847 0.205 25225 631 1 2 . 1 1 153 153 SER N N 153 120.787 120.787 116.254 4.533 25225 632 1 2 . 1 1 153 153 SER HA H 153 4.930 4.930 4.958 -0.028 25225 633 1 2 . 1 1 153 153 SER CA C 153 55.479 55.479 57.549 -2.070 25225 634 1 2 . 1 1 153 153 SER CB C 153 61.137 61.137 63.680 -2.543 25225 635 1 2 . 1 1 153 153 SER H H 153 8.783 8.783 8.769 0.014 25225 636 1 2 . 1 1 154 154 SER N N 154 117.808 117.808 115.559 2.249 25225 637 1 2 . 1 1 154 154 SER HA H 154 4.555 4.555 4.650 -0.095 25225 638 1 2 . 1 1 154 154 SER CA C 154 54.084 54.084 58.208 -4.124 25225 639 1 2 . 1 1 154 154 SER CB C 154 60.141 60.141 64.055 -3.914 25225 640 1 2 . 1 1 154 154 SER H H 154 8.300 8.300 7.604 0.696 25225 641 1 2 . 1 1 155 155 CYS N N 155 125.978 125.978 126.363 -0.385 25225 642 1 2 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.367 0.005 25225 643 1 2 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.586 -3.948 25225 644 1 2 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.170 12.130 25225 645 1 2 . 1 1 155 155 CYS H H 155 8.668 8.668 8.723 -0.055 25225 646 1 2 . 1 1 156 156 VAL N N 156 129.527 129.527 124.646 4.881 25225 647 1 2 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.305 -0.140 25225 648 1 2 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.233 -1.290 25225 649 1 2 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.536 -4.155 25225 650 1 2 . 1 1 156 156 VAL H H 156 8.239 8.239 8.151 0.088 25225 651 1 2 . 1 1 157 157 ALA N N 157 130.280 130.280 123.301 6.979 25225 652 1 2 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.744 -0.602 25225 653 1 2 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.889 -2.842 25225 654 1 2 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.808 -3.241 25225 655 1 2 . 1 1 157 157 ALA H H 157 8.414 8.414 8.344 0.070 25225 656 1 2 . 1 1 158 158 THR N N 158 115.127 115.127 113.905 1.222 25225 657 1 2 . 1 1 158 158 THR HA H 158 4.214 4.214 4.393 -0.179 25225 658 1 2 . 1 1 158 158 THR CA C 158 59.207 59.207 61.317 -2.110 25225 659 1 2 . 1 1 158 158 THR CB C 158 66.814 66.814 70.590 -3.776 25225 660 1 2 . 1 1 158 158 THR H H 158 8.219 8.219 7.878 0.341 25225 661 1 2 . 1 1 159 159 ASP N N 159 125.274 125.274 125.273 0.001 25225 662 1 2 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.038 -0.180 25225 663 1 2 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.468 -2.154 25225 664 1 2 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.295 -4.035 25225 665 1 2 . 1 1 159 159 ASP H H 159 8.548 8.548 8.647 -0.099 25225 666 1 2 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.425 -0.045 25225 667 1 2 . 1 1 160 160 PRO CA C 160 61.319 61.319 64.063 -2.744 25225 668 1 2 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.016 -3.014 25225 669 1 2 . 1 1 161 161 ASP N N 161 116.981 116.981 117.560 -0.579 25225 670 1 2 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.726 -0.017 25225 671 1 2 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.236 -2.853 25225 672 1 2 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.999 -3.390 25225 673 1 2 . 1 1 161 161 ASP H H 161 8.402 8.402 8.007 0.395 25225 674 1 2 . 1 1 162 162 SER N N 162 115.678 115.678 112.853 2.825 25225 675 1 2 . 1 1 162 162 SER HA H 162 4.477 4.477 4.196 0.281 25225 676 1 2 . 1 1 162 162 SER CA C 162 55.371 55.371 59.402 -4.031 25225 677 1 2 . 1 1 162 162 SER CB C 162 60.763 60.763 62.302 -1.539 25225 678 1 2 . 1 1 162 162 SER H H 162 7.865 7.865 7.779 0.086 25225 679 1 2 . 1 1 163 163 ILE N N 163 122.425 122.425 119.521 2.904 25225 680 1 2 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.159 0.031 25225 681 1 2 . 1 1 163 163 ILE CA C 163 58.539 58.539 61.313 -2.775 25225 682 1 2 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.065 -2.502 25225 683 1 2 . 1 1 163 163 ILE H H 163 8.098 8.098 7.742 0.356 25225 684 1 2 . 1 1 164 164 GLY N N 164 112.830 112.830 109.036 3.794 25225 685 1 2 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.725 -2.383 25225 686 1 2 . 1 1 164 164 GLY H H 164 8.564 8.564 7.688 0.876 25225 687 1 2 . 1 1 165 165 ALA N N 165 123.606 123.606 122.595 1.011 25225 688 1 2 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.939 0.379 25225 689 1 2 . 1 1 165 165 ALA CA C 165 49.188 49.188 53.069 -3.881 25225 690 1 2 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.638 -1.480 25225 691 1 2 . 1 1 165 165 ALA H H 165 7.901 7.901 8.405 -0.504 25225 692 1 2 . 1 1 166 166 ALA N N 166 122.736 122.736 120.821 1.915 25225 693 1 2 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.010 0.222 25225 694 1 2 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.059 -3.281 25225 695 1 2 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.954 -3.783 25225 696 1 2 . 1 1 166 166 ALA H H 166 8.243 8.243 8.099 0.144 25225 697 1 2 . 1 1 167 167 HIS N N 167 114.237 114.237 115.076 -0.839 25225 698 1 2 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.769 0.218 25225 699 1 2 . 1 1 167 167 HIS CA C 167 51.148 51.148 54.426 -3.278 25225 700 1 2 . 1 1 167 167 HIS CB C 167 27.221 27.221 31.445 -4.224 25225 701 1 2 . 1 1 167 167 HIS H H 167 7.931 7.931 7.579 0.352 25225 702 1 2 . 1 1 168 168 LEU N N 168 123.034 123.034 125.985 -2.951 25225 703 1 2 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.424 0.056 25225 704 1 2 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.857 -2.813 25225 705 1 2 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.413 -0.694 25225 706 1 2 . 1 1 168 168 LEU H H 168 8.371 8.371 8.373 -0.002 25225 707 1 2 . 1 1 169 169 ILE N N 169 121.493 121.493 125.760 -4.267 25225 708 1 2 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.738 0.169 25225 709 1 2 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.629 -3.773 25225 710 1 2 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.239 -0.775 25225 711 1 2 . 1 1 169 169 ILE H H 169 8.097 8.097 7.956 0.141 25225 712 1 2 . 1 1 170 170 PHE N N 170 125.500 125.500 127.698 -2.198 25225 713 1 2 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.758 0.172 25225 714 1 2 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.081 -5.278 25225 715 1 2 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.709 -3.936 25225 716 1 2 . 1 1 170 170 PHE H H 170 9.246 9.246 8.074 1.172 25225 717 1 2 . 1 1 171 171 CYS N N 171 118.630 118.630 114.864 3.766 25225 718 1 2 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.455 -0.094 25225 719 1 2 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.171 -6.302 25225 720 1 2 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.046 12.325 25225 721 1 2 . 1 1 171 171 CYS H H 171 8.577 8.577 8.278 0.299 25225 722 1 2 . 1 1 172 172 CYS N N 172 118.255 118.255 115.760 2.495 25225 723 1 2 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.747 -0.288 25225 724 1 2 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.894 -6.002 25225 725 1 2 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.328 11.803 25225 726 1 2 . 1 1 172 172 CYS H H 172 8.679 8.679 8.543 0.136 25225 727 1 2 . 1 1 173 173 PHE N N 173 119.428 119.428 119.347 0.081 25225 728 1 2 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.910 0.238 25225 729 1 2 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.744 -2.501 25225 730 1 2 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.628 -2.188 25225 731 1 2 . 1 1 173 173 PHE H H 173 8.810 8.810 8.733 0.077 25225 732 1 2 . 1 1 174 174 ARG N N 174 119.247 119.247 120.575 -1.328 25225 733 1 2 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.596 0.178 25225 734 1 2 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.792 -3.656 25225 735 1 2 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.122 -1.893 25225 736 1 2 . 1 1 174 174 ARG H H 174 7.450 7.450 7.811 -0.361 25225 737 1 2 . 1 1 175 175 ASP N N 175 119.844 119.844 123.903 -4.059 25225 738 1 2 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.822 0.024 25225 739 1 2 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.139 -2.625 25225 740 1 2 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.620 -2.085 25225 741 1 2 . 1 1 175 175 ASP H H 175 8.290 8.290 8.658 -0.368 25225 742 1 2 . 1 1 176 176 LEU N N 176 114.448 114.448 118.984 -4.536 25225 743 1 2 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.872 -0.528 25225 744 1 2 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.313 -3.174 25225 745 1 2 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.094 -5.208 25225 746 1 2 . 1 1 176 176 LEU H H 176 9.298 9.298 8.944 0.354 25225 747 1 2 . 1 1 177 177 CYS N N 177 112.101 112.101 115.107 -3.006 25225 748 1 2 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.230 0.317 25225 749 1 2 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.083 -6.551 25225 750 1 2 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.231 14.351 25225 751 1 2 . 1 1 177 177 CYS H H 177 7.834 7.834 7.948 -0.114 25225 752 1 2 . 1 1 178 178 ASN N N 178 122.157 122.157 118.227 3.930 25225 753 1 2 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.774 0.004 25225 754 1 2 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.169 -2.605 25225 755 1 2 . 1 1 178 178 ASN CB C 178 33.138 33.138 39.519 -6.381 25225 756 1 2 . 1 1 178 178 ASN H H 178 9.014 9.014 7.838 1.176 25225 757 1 2 . 1 1 179 179 SER N N 179 109.444 109.444 116.199 -6.755 25225 758 1 2 . 1 1 179 179 SER HA H 179 3.945 3.945 3.753 0.192 25225 759 1 2 . 1 1 179 179 SER CA C 179 55.092 55.092 58.046 -2.954 25225 760 1 2 . 1 1 179 179 SER CB C 179 59.118 59.118 63.577 -4.459 25225 761 1 2 . 1 1 179 179 SER H H 179 7.482 7.482 8.519 -1.037 25225 762 1 2 . 1 1 180 180 GLU N N 180 120.035 120.035 121.352 -1.317 25225 763 1 2 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.211 0.148 25225 764 1 2 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.390 -4.164 25225 765 1 2 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.338 -1.899 25225 766 1 2 . 1 1 180 180 GLU H H 180 7.936 7.936 7.952 -0.016 25225 767 1 3 . 1 1 101 101 LEU N N 101 127.862 127.862 124.030 3.832 25225 768 1 3 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.598 0.036 25225 769 1 3 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.550 -2.674 25225 770 1 3 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.260 -0.238 25225 771 1 3 . 1 1 101 101 LEU H H 101 8.754 8.754 8.657 0.097 25225 772 1 3 . 1 1 102 102 LYS N N 102 121.006 121.006 125.602 -4.596 25225 773 1 3 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.160 0.101 25225 774 1 3 . 1 1 102 102 LYS CA C 102 51.592 51.592 54.869 -3.277 25225 775 1 3 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.596 -3.577 25225 776 1 3 . 1 1 102 102 LYS H H 102 7.879 7.879 8.156 -0.277 25225 777 1 3 . 1 1 103 103 CYS N N 103 117.708 117.708 120.686 -2.978 25225 778 1 3 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.770 0.176 25225 779 1 3 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.205 -9.207 25225 780 1 3 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.009 7.903 25225 781 1 3 . 1 1 103 103 CYS H H 103 8.427 8.427 8.587 -0.160 25225 782 1 3 . 1 1 104 104 TYR N N 104 121.098 121.098 122.774 -1.676 25225 783 1 3 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.570 0.566 25225 784 1 3 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.403 -2.861 25225 785 1 3 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.496 -1.713 25225 786 1 3 . 1 1 104 104 TYR H H 104 8.442 8.442 9.086 -0.644 25225 787 1 3 . 1 1 105 105 THR N N 105 110.634 110.634 114.257 -3.623 25225 788 1 3 . 1 1 105 105 THR HA H 105 4.624 4.624 4.654 -0.030 25225 789 1 3 . 1 1 105 105 THR CA C 105 57.375 57.375 60.394 -3.019 25225 790 1 3 . 1 1 105 105 THR CB C 105 70.082 70.082 71.181 -1.099 25225 791 1 3 . 1 1 105 105 THR H H 105 9.312 9.312 8.161 1.151 25225 792 1 3 . 1 1 106 106 CYS N N 106 109.134 109.134 124.435 -15.301 25225 793 1 3 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.673 0.169 25225 794 1 3 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.092 -2.858 25225 795 1 3 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.674 13.424 25225 796 1 3 . 1 1 106 106 CYS H H 106 8.260 8.260 8.218 0.042 25225 797 1 3 . 1 1 107 107 LYS N N 107 120.821 120.821 120.964 -0.143 25225 798 1 3 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.194 0.174 25225 799 1 3 . 1 1 107 107 LYS CA C 107 54.209 54.209 58.243 -4.034 25225 800 1 3 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.838 -2.271 25225 801 1 3 . 1 1 107 107 LYS H H 107 8.624 8.624 8.619 0.005 25225 802 1 3 . 1 1 108 108 GLU N N 108 118.533 118.533 118.115 0.418 25225 803 1 3 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.744 -0.016 25225 804 1 3 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.965 -4.253 25225 805 1 3 . 1 1 108 108 GLU CB C 108 27.002 27.002 30.973 -3.971 25225 806 1 3 . 1 1 108 108 GLU H H 108 7.627 7.627 8.074 -0.447 25225 807 1 3 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.419 0.138 25225 808 1 3 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.121 -3.488 25225 809 1 3 . 1 1 109 109 PRO CB C 109 28.572 28.572 30.343 -1.771 25225 810 1 3 . 1 1 110 110 MET N N 110 122.942 122.942 116.925 6.017 25225 811 1 3 . 1 1 110 110 MET HA H 110 4.827 4.827 4.757 0.070 25225 812 1 3 . 1 1 110 110 MET CA C 110 51.502 51.502 55.606 -4.104 25225 813 1 3 . 1 1 110 110 MET CB C 110 34.636 34.636 32.959 1.677 25225 814 1 3 . 1 1 110 110 MET H H 110 9.017 9.017 8.145 0.872 25225 815 1 3 . 1 1 111 111 THR N N 111 110.441 110.441 113.208 -2.767 25225 816 1 3 . 1 1 111 111 THR HA H 111 4.534 4.534 4.665 -0.131 25225 817 1 3 . 1 1 111 111 THR CA C 111 59.025 59.025 60.937 -1.912 25225 818 1 3 . 1 1 111 111 THR H H 111 8.282 8.282 7.836 0.446 25225 819 1 3 . 1 1 112 112 SER N N 112 115.495 115.495 122.918 -7.423 25225 820 1 3 . 1 1 112 112 SER HA H 112 3.890 3.890 4.246 -0.356 25225 821 1 3 . 1 1 112 112 SER CA C 112 57.930 57.930 60.573 -2.643 25225 822 1 3 . 1 1 112 112 SER CB C 112 59.493 59.493 63.407 -3.913 25225 823 1 3 . 1 1 112 112 SER H H 112 8.739 8.739 8.845 -0.106 25225 824 1 3 . 1 1 113 113 ALA N N 113 119.080 119.080 123.359 -4.279 25225 825 1 3 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.362 -0.347 25225 826 1 3 . 1 1 113 113 ALA H H 113 8.374 8.374 7.881 0.493 25225 827 1 3 . 1 1 114 114 SER N N 114 110.843 110.843 110.947 -0.104 25225 828 1 3 . 1 1 114 114 SER HA H 114 4.515 4.515 4.438 0.077 25225 829 1 3 . 1 1 114 114 SER CA C 114 55.891 55.891 57.665 -1.774 25225 830 1 3 . 1 1 114 114 SER CB C 114 61.376 61.376 65.035 -3.659 25225 831 1 3 . 1 1 114 114 SER H H 114 7.561 7.561 7.753 -0.192 25225 832 1 3 . 1 1 115 115 CYS N N 115 124.537 124.537 124.811 -0.274 25225 833 1 3 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.324 0.757 25225 834 1 3 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.509 -6.282 25225 835 1 3 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.034 16.030 25225 836 1 3 . 1 1 115 115 CYS H H 115 7.576 7.576 8.941 -1.365 25225 837 1 3 . 1 1 116 116 ARG N N 116 121.872 121.872 126.891 -5.019 25225 838 1 3 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.602 -0.107 25225 839 1 3 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.497 -3.594 25225 840 1 3 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.484 -3.876 25225 841 1 3 . 1 1 116 116 ARG H H 116 7.869 7.869 7.878 -0.009 25225 842 1 3 . 1 1 117 117 THR N N 117 119.541 119.541 117.593 1.948 25225 843 1 3 . 1 1 117 117 THR HA H 117 4.311 4.311 4.619 -0.308 25225 844 1 3 . 1 1 117 117 THR CA C 117 61.472 61.472 61.029 0.443 25225 845 1 3 . 1 1 117 117 THR CB C 117 65.543 65.543 71.974 -6.431 25225 846 1 3 . 1 1 117 117 THR H H 117 8.309 8.309 8.438 -0.129 25225 847 1 3 . 1 1 118 118 ILE N N 118 129.953 129.953 126.882 3.071 25225 848 1 3 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.723 0.201 25225 849 1 3 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.011 -1.660 25225 850 1 3 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.524 -2.789 25225 851 1 3 . 1 1 118 118 ILE H H 118 8.949 8.949 8.668 0.281 25225 852 1 3 . 1 1 119 119 THR N N 119 126.753 126.753 122.739 4.014 25225 853 1 3 . 1 1 119 119 THR HA H 119 4.475 4.475 4.654 -0.179 25225 854 1 3 . 1 1 119 119 THR CA C 119 58.200 58.200 60.504 -2.304 25225 855 1 3 . 1 1 119 119 THR CB C 119 67.794 67.794 71.871 -4.077 25225 856 1 3 . 1 1 119 119 THR H H 119 8.711 8.711 8.138 0.573 25225 857 1 3 . 1 1 120 120 ARG N N 120 126.298 126.298 124.347 1.951 25225 858 1 3 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.482 -0.189 25225 859 1 3 . 1 1 120 120 ARG CA C 120 53.380 53.380 56.043 -2.663 25225 860 1 3 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.958 -3.318 25225 861 1 3 . 1 1 120 120 ARG H H 120 8.549 8.549 8.452 0.097 25225 862 1 3 . 1 1 121 121 CYS N N 121 125.959 125.959 125.122 0.837 25225 863 1 3 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.387 0.387 25225 864 1 3 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.812 -9.925 25225 865 1 3 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.227 5.442 25225 866 1 3 . 1 1 121 121 CYS H H 121 8.747 8.747 8.747 -0.000 25225 867 1 3 . 1 1 122 122 LYS N N 122 119.892 119.892 122.450 -2.558 25225 868 1 3 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.553 -0.064 25225 869 1 3 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.534 -1.753 25225 870 1 3 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.994 -4.535 25225 871 1 3 . 1 1 122 122 LYS H H 122 8.576 8.576 8.441 0.135 25225 872 1 3 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.344 -0.095 25225 873 1 3 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.748 -1.739 25225 874 1 3 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.081 -3.393 25225 875 1 3 . 1 1 124 124 GLU N N 124 112.877 112.877 117.769 -4.892 25225 876 1 3 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.293 -0.071 25225 877 1 3 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.866 -2.846 25225 878 1 3 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.119 -3.346 25225 879 1 3 . 1 1 124 124 GLU H H 124 8.892 8.892 8.431 0.461 25225 880 1 3 . 1 1 125 125 ASP N N 125 120.983 120.983 118.490 2.493 25225 881 1 3 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.728 -0.214 25225 882 1 3 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.948 -1.786 25225 883 1 3 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.927 -4.852 25225 884 1 3 . 1 1 125 125 ASP H H 125 7.675 7.675 7.412 0.263 25225 885 1 3 . 1 1 126 126 THR N N 126 110.714 110.714 110.149 0.565 25225 886 1 3 . 1 1 126 126 THR HA H 126 4.445 4.445 4.463 -0.018 25225 887 1 3 . 1 1 126 126 THR CA C 126 57.795 57.795 62.305 -4.510 25225 888 1 3 . 1 1 126 126 THR CB C 126 68.080 68.080 71.306 -3.226 25225 889 1 3 . 1 1 126 126 THR H H 126 8.139 8.139 8.675 -0.536 25225 890 1 3 . 1 1 127 127 ALA N N 127 123.060 123.060 122.941 0.119 25225 891 1 3 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.921 0.048 25225 892 1 3 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.825 -2.000 25225 893 1 3 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.279 -0.268 25225 894 1 3 . 1 1 127 127 ALA H H 127 8.408 8.408 7.809 0.599 25225 895 1 3 . 1 1 128 128 CYS N N 128 115.816 115.816 116.969 -1.153 25225 896 1 3 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.690 0.715 25225 897 1 3 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.936 -9.798 25225 898 1 3 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.110 3.618 25225 899 1 3 . 1 1 128 128 CYS H H 128 8.764 8.764 8.663 0.101 25225 900 1 3 . 1 1 129 129 MET N N 129 126.078 126.078 119.965 6.113 25225 901 1 3 . 1 1 129 129 MET HA H 129 5.485 5.485 5.324 0.161 25225 902 1 3 . 1 1 129 129 MET CA C 129 51.630 51.630 54.468 -2.838 25225 903 1 3 . 1 1 129 129 MET CB C 129 35.308 35.308 37.667 -2.360 25225 904 1 3 . 1 1 129 129 MET H H 129 9.366 9.366 8.862 0.504 25225 905 1 3 . 1 1 130 130 THR N N 130 123.706 123.706 120.679 3.027 25225 906 1 3 . 1 1 130 130 THR HA H 130 5.177 5.177 4.795 0.382 25225 907 1 3 . 1 1 130 130 THR CA C 130 59.260 59.260 61.878 -2.618 25225 908 1 3 . 1 1 130 130 THR CB C 130 68.549 68.549 71.454 -2.905 25225 909 1 3 . 1 1 130 130 THR H H 130 8.903 8.903 9.095 -0.192 25225 910 1 3 . 1 1 131 131 THR N N 131 123.644 123.644 123.438 0.206 25225 911 1 3 . 1 1 131 131 THR HA H 131 5.110 5.110 4.721 0.389 25225 912 1 3 . 1 1 131 131 THR CA C 131 58.370 58.370 62.379 -4.009 25225 913 1 3 . 1 1 131 131 THR CB C 131 66.519 66.519 69.203 -2.684 25225 914 1 3 . 1 1 131 131 THR H H 131 9.284 9.284 8.761 0.523 25225 915 1 3 . 1 1 132 132 LEU N N 132 128.424 128.424 128.988 -0.564 25225 916 1 3 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.898 -0.149 25225 917 1 3 . 1 1 132 132 LEU CA C 132 51.916 51.916 54.025 -2.109 25225 918 1 3 . 1 1 132 132 LEU CB C 132 40.734 40.734 44.350 -3.616 25225 919 1 3 . 1 1 132 132 LEU H H 132 9.132 9.132 8.258 0.874 25225 920 1 3 . 1 1 133 133 VAL N N 133 126.950 126.950 121.864 5.086 25225 921 1 3 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.335 -0.262 25225 922 1 3 . 1 1 133 133 VAL CA C 133 60.262 60.262 60.969 -0.707 25225 923 1 3 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.011 -3.423 25225 924 1 3 . 1 1 133 133 VAL H H 133 8.781 8.781 8.613 0.168 25225 925 1 3 . 1 1 134 134 THR N N 134 115.286 115.286 115.767 -0.481 25225 926 1 3 . 1 1 134 134 THR HA H 134 4.473 4.473 4.017 0.456 25225 927 1 3 . 1 1 134 134 THR CA C 134 58.340 58.340 63.767 -5.427 25225 928 1 3 . 1 1 134 134 THR CB C 134 66.590 66.590 67.884 -1.294 25225 929 1 3 . 1 1 134 134 THR H H 134 7.870 7.870 8.279 -0.409 25225 930 1 3 . 1 1 135 135 VAL N N 135 121.196 121.196 114.896 6.300 25225 931 1 3 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.451 -0.160 25225 932 1 3 . 1 1 135 135 VAL CA C 135 58.549 58.549 59.627 -1.077 25225 933 1 3 . 1 1 135 135 VAL CB C 135 30.204 30.204 34.778 -4.574 25225 934 1 3 . 1 1 135 135 VAL H H 135 8.142 8.142 7.488 0.654 25225 935 1 3 . 1 1 136 136 GLU N N 136 123.911 123.911 119.591 4.320 25225 936 1 3 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.492 -0.170 25225 937 1 3 . 1 1 136 136 GLU CA C 136 53.456 53.456 55.857 -2.401 25225 938 1 3 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.703 1.685 25225 939 1 3 . 1 1 136 136 GLU H H 136 8.424 8.424 8.249 0.175 25225 940 1 3 . 1 1 137 137 ALA N N 137 124.105 124.105 127.276 -3.171 25225 941 1 3 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.341 -0.053 25225 942 1 3 . 1 1 137 137 ALA CA C 137 49.707 49.707 53.206 -3.499 25225 943 1 3 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.433 -3.140 25225 944 1 3 . 1 1 137 137 ALA H H 137 8.292 8.292 8.718 -0.426 25225 945 1 3 . 1 1 138 138 GLU N N 138 117.459 117.459 117.108 0.351 25225 946 1 3 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.482 -0.220 25225 947 1 3 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.624 -2.022 25225 948 1 3 . 1 1 138 138 GLU CB C 138 26.856 26.856 31.195 -4.339 25225 949 1 3 . 1 1 138 138 GLU H H 138 8.137 8.137 7.822 0.315 25225 950 1 3 . 1 1 139 139 TYR N N 139 119.908 119.908 122.401 -2.493 25225 951 1 3 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.846 -0.050 25225 952 1 3 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.864 -2.180 25225 953 1 3 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.938 -3.549 25225 954 1 3 . 1 1 139 139 TYR H H 139 7.916 7.916 8.629 -0.713 25225 955 1 3 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.521 -0.181 25225 956 1 3 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.229 -1.560 25225 957 1 3 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.398 -3.886 25225 958 1 3 . 1 1 141 141 PHE N N 141 117.257 117.257 118.523 -1.266 25225 959 1 3 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.222 0.381 25225 960 1 3 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.285 -4.718 25225 961 1 3 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.330 -3.654 25225 962 1 3 . 1 1 141 141 PHE H H 141 7.755 7.755 8.361 -0.606 25225 963 1 3 . 1 1 142 142 ASN N N 142 118.560 118.560 117.448 1.112 25225 964 1 3 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.711 -0.056 25225 965 1 3 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.384 -2.074 25225 966 1 3 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.510 -4.155 25225 967 1 3 . 1 1 142 142 ASN H H 142 8.101 8.101 7.735 0.366 25225 968 1 3 . 1 1 143 143 GLN N N 143 119.234 119.234 122.293 -3.059 25225 969 1 3 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.625 -0.246 25225 970 1 3 . 1 1 143 143 GLN CA C 143 52.922 52.922 54.907 -1.985 25225 971 1 3 . 1 1 143 143 GLN CB C 143 26.499 26.499 30.037 -3.538 25225 972 1 3 . 1 1 143 143 GLN H H 143 8.222 8.222 8.411 -0.189 25225 973 1 3 . 1 1 144 144 SER N N 144 117.221 117.221 114.722 2.499 25225 974 1 3 . 1 1 144 144 SER HA H 144 4.830 4.830 4.672 0.158 25225 975 1 3 . 1 1 144 144 SER CA C 144 53.218 53.218 57.380 -4.162 25225 976 1 3 . 1 1 144 144 SER CB C 144 60.633 60.633 63.694 -3.061 25225 977 1 3 . 1 1 144 144 SER H H 144 8.248 8.248 8.290 -0.042 25225 978 1 3 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.444 0.130 25225 979 1 3 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.769 -2.729 25225 980 1 3 . 1 1 145 145 PRO CB C 145 29.313 29.313 31.198 -1.885 25225 981 1 3 . 1 1 146 146 VAL N N 146 120.628 120.628 124.228 -3.600 25225 982 1 3 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.410 -0.106 25225 983 1 3 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.410 -2.070 25225 984 1 3 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.926 -4.866 25225 985 1 3 . 1 1 146 146 VAL H H 146 8.330 8.330 7.835 0.495 25225 986 1 3 . 1 1 147 147 VAL N N 147 116.972 116.972 119.214 -2.242 25225 987 1 3 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.537 1.167 25225 988 1 3 . 1 1 147 147 VAL H H 147 9.040 9.040 8.066 0.974 25225 989 1 3 . 1 1 148 148 THR N N 148 107.103 107.103 113.920 -6.817 25225 990 1 3 . 1 1 148 148 THR HA H 148 4.906 4.906 4.649 0.257 25225 991 1 3 . 1 1 148 148 THR CA C 148 58.020 58.020 61.110 -3.090 25225 992 1 3 . 1 1 148 148 THR CB C 148 67.765 67.765 70.115 -2.350 25225 993 1 3 . 1 1 148 148 THR H H 148 8.442 8.442 8.196 0.246 25225 994 1 3 . 1 1 149 149 ARG N N 149 120.370 120.370 129.791 -9.421 25225 995 1 3 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.804 0.827 25225 996 1 3 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.747 -3.768 25225 997 1 3 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.330 0.931 25225 998 1 3 . 1 1 149 149 ARG H H 149 7.623 7.623 8.686 -1.063 25225 999 1 3 . 1 1 150 150 SER N N 150 113.789 113.789 118.477 -4.688 25225 1000 1 3 . 1 1 150 150 SER HA H 150 4.790 4.790 4.823 -0.033 25225 1001 1 3 . 1 1 150 150 SER CA C 150 54.647 54.647 56.740 -2.093 25225 1002 1 3 . 1 1 150 150 SER CB C 150 63.412 63.412 66.183 -2.771 25225 1003 1 3 . 1 1 150 150 SER H H 150 8.709 8.709 8.339 0.370 25225 1004 1 3 . 1 1 151 151 CYS N N 151 120.824 120.824 120.352 0.472 25225 1005 1 3 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.362 0.779 25225 1006 1 3 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.255 -4.160 25225 1007 1 3 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.040 14.981 25225 1008 1 3 . 1 1 151 151 CYS H H 151 8.473 8.473 8.492 -0.019 25225 1009 1 3 . 1 1 152 152 SER N N 152 115.253 115.253 115.990 -0.737 25225 1010 1 3 . 1 1 152 152 SER HA H 152 4.834 4.834 4.763 0.071 25225 1011 1 3 . 1 1 152 152 SER CA C 152 54.771 54.771 56.753 -1.982 25225 1012 1 3 . 1 1 152 152 SER CB C 152 62.761 62.761 65.254 -2.493 25225 1013 1 3 . 1 1 152 152 SER H H 152 9.052 9.052 8.893 0.159 25225 1014 1 3 . 1 1 153 153 SER N N 153 120.787 120.787 116.807 3.980 25225 1015 1 3 . 1 1 153 153 SER HA H 153 4.930 4.930 4.890 0.040 25225 1016 1 3 . 1 1 153 153 SER CA C 153 55.479 55.479 57.505 -2.026 25225 1017 1 3 . 1 1 153 153 SER CB C 153 61.137 61.137 64.001 -2.864 25225 1018 1 3 . 1 1 153 153 SER H H 153 8.783 8.783 8.802 -0.019 25225 1019 1 3 . 1 1 154 154 SER N N 154 117.808 117.808 116.626 1.182 25225 1020 1 3 . 1 1 154 154 SER HA H 154 4.555 4.555 4.718 -0.163 25225 1021 1 3 . 1 1 154 154 SER CA C 154 54.084 54.084 57.919 -3.835 25225 1022 1 3 . 1 1 154 154 SER CB C 154 60.141 60.141 63.566 -3.425 25225 1023 1 3 . 1 1 154 154 SER H H 154 8.300 8.300 7.632 0.668 25225 1024 1 3 . 1 1 155 155 CYS N N 155 125.978 125.978 125.324 0.654 25225 1025 1 3 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.364 0.008 25225 1026 1 3 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.418 -3.780 25225 1027 1 3 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.121 12.179 25225 1028 1 3 . 1 1 155 155 CYS H H 155 8.668 8.668 8.871 -0.203 25225 1029 1 3 . 1 1 156 156 VAL N N 156 129.527 129.527 128.049 1.478 25225 1030 1 3 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.285 -0.120 25225 1031 1 3 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.849 -2.906 25225 1032 1 3 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.707 -4.326 25225 1033 1 3 . 1 1 156 156 VAL H H 156 8.239 8.239 8.087 0.152 25225 1034 1 3 . 1 1 157 157 ALA N N 157 130.280 130.280 129.934 0.346 25225 1035 1 3 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.386 -0.244 25225 1036 1 3 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.059 -3.011 25225 1037 1 3 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.224 -2.657 25225 1038 1 3 . 1 1 157 157 ALA H H 157 8.414 8.414 8.405 0.009 25225 1039 1 3 . 1 1 158 158 THR N N 158 115.127 115.127 114.989 0.138 25225 1040 1 3 . 1 1 158 158 THR HA H 158 4.214 4.214 4.399 -0.185 25225 1041 1 3 . 1 1 158 158 THR CA C 158 59.207 59.207 62.135 -2.928 25225 1042 1 3 . 1 1 158 158 THR CB C 158 66.814 66.814 68.439 -1.625 25225 1043 1 3 . 1 1 158 158 THR H H 158 8.219 8.219 8.468 -0.249 25225 1044 1 3 . 1 1 159 159 ASP N N 159 125.274 125.274 121.406 3.868 25225 1045 1 3 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.768 0.090 25225 1046 1 3 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.371 -3.056 25225 1047 1 3 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.097 -3.837 25225 1048 1 3 . 1 1 159 159 ASP H H 159 8.548 8.548 7.375 1.173 25225 1049 1 3 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.372 0.008 25225 1050 1 3 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.893 -2.574 25225 1051 1 3 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.227 -3.225 25225 1052 1 3 . 1 1 161 161 ASP N N 161 116.981 116.981 117.541 -0.560 25225 1053 1 3 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.599 0.110 25225 1054 1 3 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.546 -3.163 25225 1055 1 3 . 1 1 161 161 ASP CB C 161 37.609 37.609 41.291 -3.682 25225 1056 1 3 . 1 1 161 161 ASP H H 161 8.402 8.402 7.911 0.491 25225 1057 1 3 . 1 1 162 162 SER N N 162 115.678 115.678 111.368 4.310 25225 1058 1 3 . 1 1 162 162 SER HA H 162 4.477 4.477 4.147 0.330 25225 1059 1 3 . 1 1 162 162 SER CA C 162 55.371 55.371 59.532 -4.162 25225 1060 1 3 . 1 1 162 162 SER CB C 162 60.763 60.763 62.017 -1.254 25225 1061 1 3 . 1 1 162 162 SER H H 162 7.865 7.865 8.189 -0.324 25225 1062 1 3 . 1 1 163 163 ILE N N 163 122.425 122.425 119.309 3.116 25225 1063 1 3 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.076 0.114 25225 1064 1 3 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.478 -3.939 25225 1065 1 3 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.163 -2.600 25225 1066 1 3 . 1 1 163 163 ILE H H 163 8.098 8.098 7.810 0.288 25225 1067 1 3 . 1 1 164 164 GLY N N 164 112.830 112.830 107.430 5.400 25225 1068 1 3 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.350 -2.008 25225 1069 1 3 . 1 1 164 164 GLY H H 164 8.564 8.564 7.990 0.574 25225 1070 1 3 . 1 1 165 165 ALA N N 165 123.606 123.606 122.172 1.434 25225 1071 1 3 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.935 0.383 25225 1072 1 3 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.735 -3.547 25225 1073 1 3 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.274 -1.116 25225 1074 1 3 . 1 1 165 165 ALA H H 165 7.901 7.901 8.323 -0.422 25225 1075 1 3 . 1 1 166 166 ALA N N 166 122.736 122.736 120.413 2.323 25225 1076 1 3 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.104 0.128 25225 1077 1 3 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.017 -3.239 25225 1078 1 3 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.481 -3.310 25225 1079 1 3 . 1 1 166 166 ALA H H 166 8.243 8.243 8.397 -0.154 25225 1080 1 3 . 1 1 167 167 HIS N N 167 114.237 114.237 115.051 -0.814 25225 1081 1 3 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.709 0.278 25225 1082 1 3 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.217 -4.069 25225 1083 1 3 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.826 -3.605 25225 1084 1 3 . 1 1 167 167 HIS H H 167 7.931 7.931 7.849 0.082 25225 1085 1 3 . 1 1 168 168 LEU N N 168 123.034 123.034 125.863 -2.829 25225 1086 1 3 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.594 -0.114 25225 1087 1 3 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.183 -2.139 25225 1088 1 3 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.915 -1.196 25225 1089 1 3 . 1 1 168 168 LEU H H 168 8.371 8.371 8.177 0.194 25225 1090 1 3 . 1 1 169 169 ILE N N 169 121.493 121.493 125.339 -3.846 25225 1091 1 3 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.553 0.354 25225 1092 1 3 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.685 -3.829 25225 1093 1 3 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.456 0.007 25225 1094 1 3 . 1 1 169 169 ILE H H 169 8.097 8.097 8.138 -0.041 25225 1095 1 3 . 1 1 170 170 PHE N N 170 125.500 125.500 127.283 -1.783 25225 1096 1 3 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.690 0.240 25225 1097 1 3 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.482 -5.679 25225 1098 1 3 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.783 -3.010 25225 1099 1 3 . 1 1 170 170 PHE H H 170 9.246 9.246 8.364 0.882 25225 1100 1 3 . 1 1 171 171 CYS N N 171 118.630 118.630 115.900 2.730 25225 1101 1 3 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.426 -0.065 25225 1102 1 3 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.113 -6.244 25225 1103 1 3 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.929 12.442 25225 1104 1 3 . 1 1 171 171 CYS H H 171 8.577 8.577 8.275 0.302 25225 1105 1 3 . 1 1 172 172 CYS N N 172 118.255 118.255 116.183 2.072 25225 1106 1 3 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.496 -0.037 25225 1107 1 3 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.141 -5.248 25225 1108 1 3 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.717 11.414 25225 1109 1 3 . 1 1 172 172 CYS H H 172 8.679 8.679 8.399 0.280 25225 1110 1 3 . 1 1 173 173 PHE N N 173 119.428 119.428 117.942 1.486 25225 1111 1 3 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.959 0.189 25225 1112 1 3 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.371 -2.128 25225 1113 1 3 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.670 -2.230 25225 1114 1 3 . 1 1 173 173 PHE H H 173 8.810 8.810 8.535 0.275 25225 1115 1 3 . 1 1 174 174 ARG N N 174 119.247 119.247 121.378 -2.131 25225 1116 1 3 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.612 0.162 25225 1117 1 3 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.878 -3.742 25225 1118 1 3 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.398 -2.168 25225 1119 1 3 . 1 1 174 174 ARG H H 174 7.450 7.450 7.771 -0.321 25225 1120 1 3 . 1 1 175 175 ASP N N 175 119.844 119.844 123.431 -3.587 25225 1121 1 3 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.818 0.028 25225 1122 1 3 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.258 -2.744 25225 1123 1 3 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.473 -1.938 25225 1124 1 3 . 1 1 175 175 ASP H H 175 8.290 8.290 8.635 -0.345 25225 1125 1 3 . 1 1 176 176 LEU N N 176 114.448 114.448 118.657 -4.209 25225 1126 1 3 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.804 -0.460 25225 1127 1 3 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.218 -3.079 25225 1128 1 3 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.036 -5.150 25225 1129 1 3 . 1 1 176 176 LEU H H 176 9.298 9.298 8.780 0.518 25225 1130 1 3 . 1 1 177 177 CYS N N 177 112.101 112.101 115.692 -3.591 25225 1131 1 3 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.218 0.329 25225 1132 1 3 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.170 -6.638 25225 1133 1 3 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.164 14.418 25225 1134 1 3 . 1 1 177 177 CYS H H 177 7.834 7.834 8.104 -0.270 25225 1135 1 3 . 1 1 178 178 ASN N N 178 122.157 122.157 116.715 5.442 25225 1136 1 3 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.751 0.027 25225 1137 1 3 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.409 -2.845 25225 1138 1 3 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.207 -7.069 25225 1139 1 3 . 1 1 178 178 ASN H H 178 9.014 9.014 7.912 1.102 25225 1140 1 3 . 1 1 179 179 SER N N 179 109.444 109.444 114.646 -5.202 25225 1141 1 3 . 1 1 179 179 SER HA H 179 3.945 3.945 3.993 -0.048 25225 1142 1 3 . 1 1 179 179 SER CA C 179 55.092 55.092 58.836 -3.744 25225 1143 1 3 . 1 1 179 179 SER CB C 179 59.118 59.118 63.327 -4.208 25225 1144 1 3 . 1 1 179 179 SER H H 179 7.482 7.482 8.736 -1.254 25225 1145 1 3 . 1 1 180 180 GLU N N 180 120.035 120.035 121.759 -1.724 25225 1146 1 3 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.246 0.113 25225 1147 1 3 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.879 -4.653 25225 1148 1 3 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.302 -1.863 25225 1149 1 3 . 1 1 180 180 GLU H H 180 7.936 7.936 8.057 -0.121 25225 1150 1 4 . 1 1 101 101 LEU N N 101 127.862 127.862 123.739 4.123 25225 1151 1 4 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.613 0.021 25225 1152 1 4 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.548 -2.672 25225 1153 1 4 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.299 -0.278 25225 1154 1 4 . 1 1 101 101 LEU H H 101 8.754 8.754 8.579 0.175 25225 1155 1 4 . 1 1 102 102 LYS N N 102 121.006 121.006 125.961 -4.955 25225 1156 1 4 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.120 0.141 25225 1157 1 4 . 1 1 102 102 LYS CA C 102 51.592 51.592 54.958 -3.366 25225 1158 1 4 . 1 1 102 102 LYS CB C 102 32.019 32.019 34.884 -2.865 25225 1159 1 4 . 1 1 102 102 LYS H H 102 7.879 7.879 8.216 -0.337 25225 1160 1 4 . 1 1 103 103 CYS N N 103 117.708 117.708 121.136 -3.428 25225 1161 1 4 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.756 0.190 25225 1162 1 4 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.259 -9.261 25225 1163 1 4 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.950 7.962 25225 1164 1 4 . 1 1 103 103 CYS H H 103 8.427 8.427 8.468 -0.041 25225 1165 1 4 . 1 1 104 104 TYR N N 104 121.098 121.098 122.613 -1.515 25225 1166 1 4 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.625 0.511 25225 1167 1 4 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.261 -2.719 25225 1168 1 4 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.466 -1.683 25225 1169 1 4 . 1 1 104 104 TYR H H 104 8.442 8.442 9.202 -0.760 25225 1170 1 4 . 1 1 105 105 THR N N 105 110.634 110.634 114.349 -3.715 25225 1171 1 4 . 1 1 105 105 THR HA H 105 4.624 4.624 4.868 -0.244 25225 1172 1 4 . 1 1 105 105 THR CA C 105 57.375 57.375 60.484 -3.109 25225 1173 1 4 . 1 1 105 105 THR CB C 105 70.082 70.082 70.121 -0.039 25225 1174 1 4 . 1 1 105 105 THR H H 105 9.312 9.312 8.176 1.136 25225 1175 1 4 . 1 1 106 106 CYS N N 106 109.134 109.134 124.586 -15.452 25225 1176 1 4 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.731 0.111 25225 1177 1 4 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.977 -2.743 25225 1178 1 4 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.318 13.780 25225 1179 1 4 . 1 1 106 106 CYS H H 106 8.260 8.260 8.367 -0.107 25225 1180 1 4 . 1 1 107 107 LYS N N 107 120.821 120.821 119.692 1.129 25225 1181 1 4 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.422 -0.054 25225 1182 1 4 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.826 -3.617 25225 1183 1 4 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.979 -2.412 25225 1184 1 4 . 1 1 107 107 LYS H H 107 8.624 8.624 8.789 -0.165 25225 1185 1 4 . 1 1 108 108 GLU N N 108 118.533 118.533 119.891 -1.358 25225 1186 1 4 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.719 0.009 25225 1187 1 4 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.436 -3.724 25225 1188 1 4 . 1 1 108 108 GLU CB C 108 27.002 27.002 29.481 -2.479 25225 1189 1 4 . 1 1 108 108 GLU H H 108 7.627 7.627 8.074 -0.447 25225 1190 1 4 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.376 0.181 25225 1191 1 4 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.119 -3.486 25225 1192 1 4 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.436 -2.865 25225 1193 1 4 . 1 1 110 110 MET N N 110 122.942 122.942 121.591 1.351 25225 1194 1 4 . 1 1 110 110 MET HA H 110 4.827 4.827 4.702 0.125 25225 1195 1 4 . 1 1 110 110 MET CA C 110 51.502 51.502 54.488 -2.986 25225 1196 1 4 . 1 1 110 110 MET CB C 110 34.636 34.636 34.666 -0.030 25225 1197 1 4 . 1 1 110 110 MET H H 110 9.017 9.017 7.848 1.169 25225 1198 1 4 . 1 1 111 111 THR N N 111 110.441 110.441 115.802 -5.361 25225 1199 1 4 . 1 1 111 111 THR HA H 111 4.534 4.534 4.541 -0.007 25225 1200 1 4 . 1 1 111 111 THR CA C 111 59.025 59.025 63.136 -4.111 25225 1201 1 4 . 1 1 111 111 THR H H 111 8.282 8.282 8.109 0.173 25225 1202 1 4 . 1 1 112 112 SER N N 112 115.495 115.495 120.159 -4.664 25225 1203 1 4 . 1 1 112 112 SER HA H 112 3.890 3.890 4.142 -0.252 25225 1204 1 4 . 1 1 112 112 SER CA C 112 57.930 57.930 59.345 -1.415 25225 1205 1 4 . 1 1 112 112 SER CB C 112 59.493 59.493 62.808 -3.315 25225 1206 1 4 . 1 1 112 112 SER H H 112 8.739 8.739 8.974 -0.235 25225 1207 1 4 . 1 1 113 113 ALA N N 113 119.080 119.080 123.044 -3.964 25225 1208 1 4 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.192 -0.177 25225 1209 1 4 . 1 1 113 113 ALA H H 113 8.374 8.374 7.490 0.884 25225 1210 1 4 . 1 1 114 114 SER N N 114 110.843 110.843 111.617 -0.774 25225 1211 1 4 . 1 1 114 114 SER HA H 114 4.515 4.515 4.112 0.403 25225 1212 1 4 . 1 1 114 114 SER CA C 114 55.891 55.891 57.963 -2.072 25225 1213 1 4 . 1 1 114 114 SER CB C 114 61.376 61.376 61.894 -0.518 25225 1214 1 4 . 1 1 114 114 SER H H 114 7.561 7.561 7.791 -0.230 25225 1215 1 4 . 1 1 115 115 CYS N N 115 124.537 124.537 123.859 0.678 25225 1216 1 4 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.247 0.834 25225 1217 1 4 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.723 -6.496 25225 1218 1 4 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.816 16.248 25225 1219 1 4 . 1 1 115 115 CYS H H 115 7.576 7.576 8.745 -1.169 25225 1220 1 4 . 1 1 116 116 ARG N N 116 121.872 121.872 128.178 -6.306 25225 1221 1 4 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.497 -0.002 25225 1222 1 4 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.859 -3.956 25225 1223 1 4 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.296 -3.688 25225 1224 1 4 . 1 1 116 116 ARG H H 116 7.869 7.869 8.021 -0.152 25225 1225 1 4 . 1 1 117 117 THR N N 117 119.541 119.541 116.101 3.440 25225 1226 1 4 . 1 1 117 117 THR HA H 117 4.311 4.311 4.657 -0.346 25225 1227 1 4 . 1 1 117 117 THR CA C 117 61.472 61.472 61.625 -0.153 25225 1228 1 4 . 1 1 117 117 THR CB C 117 65.543 65.543 71.384 -5.841 25225 1229 1 4 . 1 1 117 117 THR H H 117 8.309 8.309 8.337 -0.028 25225 1230 1 4 . 1 1 118 118 ILE N N 118 129.953 129.953 127.030 2.923 25225 1231 1 4 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.734 0.190 25225 1232 1 4 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.128 -1.777 25225 1233 1 4 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.530 -2.795 25225 1234 1 4 . 1 1 118 118 ILE H H 118 8.949 8.949 8.623 0.326 25225 1235 1 4 . 1 1 119 119 THR N N 119 126.753 126.753 123.642 3.111 25225 1236 1 4 . 1 1 119 119 THR HA H 119 4.475 4.475 4.632 -0.157 25225 1237 1 4 . 1 1 119 119 THR CA C 119 58.200 58.200 60.836 -2.635 25225 1238 1 4 . 1 1 119 119 THR CB C 119 67.794 67.794 72.125 -4.331 25225 1239 1 4 . 1 1 119 119 THR H H 119 8.711 8.711 8.309 0.402 25225 1240 1 4 . 1 1 120 120 ARG N N 120 126.298 126.298 124.274 2.024 25225 1241 1 4 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.474 -0.181 25225 1242 1 4 . 1 1 120 120 ARG CA C 120 53.380 53.380 56.083 -2.703 25225 1243 1 4 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.910 -3.270 25225 1244 1 4 . 1 1 120 120 ARG H H 120 8.549 8.549 8.402 0.147 25225 1245 1 4 . 1 1 121 121 CYS N N 121 125.959 125.959 124.296 1.663 25225 1246 1 4 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.385 0.389 25225 1247 1 4 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.636 -9.749 25225 1248 1 4 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.273 5.396 25225 1249 1 4 . 1 1 121 121 CYS H H 121 8.747 8.747 8.646 0.101 25225 1250 1 4 . 1 1 122 122 LYS N N 122 119.892 119.892 122.419 -2.527 25225 1251 1 4 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.526 -0.037 25225 1252 1 4 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.869 -2.088 25225 1253 1 4 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.829 -4.371 25225 1254 1 4 . 1 1 122 122 LYS H H 122 8.576 8.576 8.424 0.152 25225 1255 1 4 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.387 -0.138 25225 1256 1 4 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.603 -1.594 25225 1257 1 4 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.091 -3.403 25225 1258 1 4 . 1 1 124 124 GLU N N 124 112.877 112.877 117.669 -4.792 25225 1259 1 4 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.190 0.032 25225 1260 1 4 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.775 -2.755 25225 1261 1 4 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.268 -3.495 25225 1262 1 4 . 1 1 124 124 GLU H H 124 8.892 8.892 8.445 0.447 25225 1263 1 4 . 1 1 125 125 ASP N N 125 120.983 120.983 120.033 0.950 25225 1264 1 4 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.779 -0.265 25225 1265 1 4 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.755 -1.593 25225 1266 1 4 . 1 1 125 125 ASP CB C 125 37.075 37.075 42.394 -5.319 25225 1267 1 4 . 1 1 125 125 ASP H H 125 7.675 7.675 7.427 0.248 25225 1268 1 4 . 1 1 126 126 THR N N 126 110.714 110.714 112.593 -1.879 25225 1269 1 4 . 1 1 126 126 THR HA H 126 4.445 4.445 4.522 -0.077 25225 1270 1 4 . 1 1 126 126 THR CA C 126 57.795 57.795 61.627 -3.832 25225 1271 1 4 . 1 1 126 126 THR CB C 126 68.080 68.080 70.871 -2.791 25225 1272 1 4 . 1 1 126 126 THR H H 126 8.139 8.139 8.051 0.088 25225 1273 1 4 . 1 1 127 127 ALA N N 127 123.060 123.060 122.473 0.587 25225 1274 1 4 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.658 0.311 25225 1275 1 4 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.612 -1.786 25225 1276 1 4 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.658 0.353 25225 1277 1 4 . 1 1 127 127 ALA H H 127 8.408 8.408 7.732 0.676 25225 1278 1 4 . 1 1 128 128 CYS N N 128 115.816 115.816 117.621 -1.805 25225 1279 1 4 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.660 0.745 25225 1280 1 4 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.465 -9.327 25225 1281 1 4 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.580 3.148 25225 1282 1 4 . 1 1 128 128 CYS H H 128 8.764 8.764 8.526 0.238 25225 1283 1 4 . 1 1 129 129 MET N N 129 126.078 126.078 119.208 6.870 25225 1284 1 4 . 1 1 129 129 MET HA H 129 5.485 5.485 4.932 0.553 25225 1285 1 4 . 1 1 129 129 MET CA C 129 51.630 51.630 55.125 -3.495 25225 1286 1 4 . 1 1 129 129 MET CB C 129 35.308 35.308 37.060 -1.752 25225 1287 1 4 . 1 1 129 129 MET H H 129 9.366 9.366 8.920 0.446 25225 1288 1 4 . 1 1 130 130 THR N N 130 123.706 123.706 119.179 4.527 25225 1289 1 4 . 1 1 130 130 THR HA H 130 5.177 5.177 5.195 -0.018 25225 1290 1 4 . 1 1 130 130 THR CA C 130 59.260 59.260 60.853 -1.593 25225 1291 1 4 . 1 1 130 130 THR CB C 130 68.549 68.549 72.160 -3.611 25225 1292 1 4 . 1 1 130 130 THR H H 130 8.903 8.903 7.925 0.978 25225 1293 1 4 . 1 1 131 131 THR N N 131 123.644 123.644 119.085 4.559 25225 1294 1 4 . 1 1 131 131 THR HA H 131 5.110 5.110 4.822 0.288 25225 1295 1 4 . 1 1 131 131 THR CA C 131 58.370 58.370 61.844 -3.474 25225 1296 1 4 . 1 1 131 131 THR CB C 131 66.519 66.519 70.075 -3.556 25225 1297 1 4 . 1 1 131 131 THR H H 131 9.284 9.284 8.971 0.313 25225 1298 1 4 . 1 1 132 132 LEU N N 132 128.424 128.424 124.737 3.687 25225 1299 1 4 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.740 0.009 25225 1300 1 4 . 1 1 132 132 LEU CA C 132 51.916 51.916 54.446 -2.530 25225 1301 1 4 . 1 1 132 132 LEU CB C 132 40.734 40.734 46.571 -5.837 25225 1302 1 4 . 1 1 132 132 LEU H H 132 9.132 9.132 8.469 0.663 25225 1303 1 4 . 1 1 133 133 VAL N N 133 126.950 126.950 116.972 9.978 25225 1304 1 4 . 1 1 133 133 VAL HA H 133 4.073 4.073 5.016 -0.943 25225 1305 1 4 . 1 1 133 133 VAL CA C 133 60.262 60.262 60.065 0.197 25225 1306 1 4 . 1 1 133 133 VAL CB C 133 29.588 29.588 31.967 -2.379 25225 1307 1 4 . 1 1 133 133 VAL H H 133 8.781 8.781 8.361 0.420 25225 1308 1 4 . 1 1 134 134 THR N N 134 115.286 115.286 117.630 -2.344 25225 1309 1 4 . 1 1 134 134 THR HA H 134 4.473 4.473 4.146 0.327 25225 1310 1 4 . 1 1 134 134 THR CA C 134 58.340 58.340 62.569 -4.229 25225 1311 1 4 . 1 1 134 134 THR CB C 134 66.590 66.590 69.443 -2.853 25225 1312 1 4 . 1 1 134 134 THR H H 134 7.870 7.870 8.013 -0.143 25225 1313 1 4 . 1 1 135 135 VAL N N 135 121.196 121.196 118.224 2.972 25225 1314 1 4 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.878 0.413 25225 1315 1 4 . 1 1 135 135 VAL CA C 135 58.549 58.549 63.845 -5.296 25225 1316 1 4 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.579 -1.375 25225 1317 1 4 . 1 1 135 135 VAL H H 135 8.142 8.142 8.390 -0.248 25225 1318 1 4 . 1 1 136 136 GLU N N 136 123.911 123.911 119.796 4.115 25225 1319 1 4 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.159 0.163 25225 1320 1 4 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.765 -3.309 25225 1321 1 4 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.234 2.154 25225 1322 1 4 . 1 1 136 136 GLU H H 136 8.424 8.424 8.044 0.380 25225 1323 1 4 . 1 1 137 137 ALA N N 137 124.105 124.105 127.589 -3.484 25225 1324 1 4 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.542 -0.254 25225 1325 1 4 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.996 -2.289 25225 1326 1 4 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.683 -3.390 25225 1327 1 4 . 1 1 137 137 ALA H H 137 8.292 8.292 8.426 -0.134 25225 1328 1 4 . 1 1 138 138 GLU N N 138 117.459 117.459 123.999 -6.540 25225 1329 1 4 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.049 0.213 25225 1330 1 4 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.270 -3.667 25225 1331 1 4 . 1 1 138 138 GLU CB C 138 26.856 26.856 30.113 -3.257 25225 1332 1 4 . 1 1 138 138 GLU H H 138 8.137 8.137 8.562 -0.425 25225 1333 1 4 . 1 1 139 139 TYR N N 139 119.908 119.908 119.464 0.444 25225 1334 1 4 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.875 -0.079 25225 1335 1 4 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.185 -1.501 25225 1336 1 4 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.342 -2.953 25225 1337 1 4 . 1 1 139 139 TYR H H 139 7.916 7.916 7.977 -0.061 25225 1338 1 4 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.704 -0.364 25225 1339 1 4 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.077 -2.408 25225 1340 1 4 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.277 -3.765 25225 1341 1 4 . 1 1 141 141 PHE N N 141 117.257 117.257 124.658 -7.401 25225 1342 1 4 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.468 0.135 25225 1343 1 4 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.282 -3.715 25225 1344 1 4 . 1 1 141 141 PHE CB C 141 35.676 35.676 40.468 -4.792 25225 1345 1 4 . 1 1 141 141 PHE H H 141 7.755 7.755 7.846 -0.091 25225 1346 1 4 . 1 1 142 142 ASN N N 142 118.560 118.560 119.521 -0.961 25225 1347 1 4 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.299 0.356 25225 1348 1 4 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.903 -3.593 25225 1349 1 4 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.155 -2.800 25225 1350 1 4 . 1 1 142 142 ASN H H 142 8.101 8.101 8.388 -0.287 25225 1351 1 4 . 1 1 143 143 GLN N N 143 119.234 119.234 116.957 2.277 25225 1352 1 4 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.534 -0.155 25225 1353 1 4 . 1 1 143 143 GLN CA C 143 52.922 52.922 55.867 -2.945 25225 1354 1 4 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.942 -3.443 25225 1355 1 4 . 1 1 143 143 GLN H H 143 8.222 8.222 8.007 0.215 25225 1356 1 4 . 1 1 144 144 SER N N 144 117.221 117.221 116.982 0.239 25225 1357 1 4 . 1 1 144 144 SER HA H 144 4.830 4.830 4.908 -0.078 25225 1358 1 4 . 1 1 144 144 SER CA C 144 53.218 53.218 55.059 -1.841 25225 1359 1 4 . 1 1 144 144 SER CB C 144 60.633 60.633 64.646 -4.013 25225 1360 1 4 . 1 1 144 144 SER H H 144 8.248 8.248 8.439 -0.191 25225 1361 1 4 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.509 0.065 25225 1362 1 4 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.996 -2.956 25225 1363 1 4 . 1 1 145 145 PRO CB C 145 29.313 29.313 29.988 -0.675 25225 1364 1 4 . 1 1 146 146 VAL N N 146 120.628 120.628 118.526 2.102 25225 1365 1 4 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.475 -0.171 25225 1366 1 4 . 1 1 146 146 VAL CA C 146 58.340 58.340 59.980 -1.640 25225 1367 1 4 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.124 -4.064 25225 1368 1 4 . 1 1 146 146 VAL H H 146 8.330 8.330 7.852 0.478 25225 1369 1 4 . 1 1 147 147 VAL N N 147 116.972 116.972 118.163 -1.191 25225 1370 1 4 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.884 0.820 25225 1371 1 4 . 1 1 147 147 VAL H H 147 9.040 9.040 8.214 0.826 25225 1372 1 4 . 1 1 148 148 THR N N 148 107.103 107.103 110.370 -3.267 25225 1373 1 4 . 1 1 148 148 THR HA H 148 4.906 4.906 4.779 0.127 25225 1374 1 4 . 1 1 148 148 THR CA C 148 58.020 58.020 60.840 -2.820 25225 1375 1 4 . 1 1 148 148 THR CB C 148 67.765 67.765 71.800 -4.035 25225 1376 1 4 . 1 1 148 148 THR H H 148 8.442 8.442 8.159 0.283 25225 1377 1 4 . 1 1 149 149 ARG N N 149 120.370 120.370 120.721 -0.351 25225 1378 1 4 . 1 1 149 149 ARG HA H 149 5.631 5.631 5.020 0.611 25225 1379 1 4 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.747 -3.768 25225 1380 1 4 . 1 1 149 149 ARG CB C 149 33.261 33.261 33.527 -0.266 25225 1381 1 4 . 1 1 149 149 ARG H H 149 7.623 7.623 8.646 -1.023 25225 1382 1 4 . 1 1 150 150 SER N N 150 113.789 113.789 118.298 -4.509 25225 1383 1 4 . 1 1 150 150 SER HA H 150 4.790 4.790 4.849 -0.059 25225 1384 1 4 . 1 1 150 150 SER CA C 150 54.647 54.647 57.013 -2.366 25225 1385 1 4 . 1 1 150 150 SER CB C 150 63.412 63.412 66.153 -2.741 25225 1386 1 4 . 1 1 150 150 SER H H 150 8.709 8.709 8.683 0.026 25225 1387 1 4 . 1 1 151 151 CYS N N 151 120.824 120.824 119.601 1.223 25225 1388 1 4 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.409 0.732 25225 1389 1 4 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.199 -4.104 25225 1390 1 4 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.348 14.673 25225 1391 1 4 . 1 1 151 151 CYS H H 151 8.473 8.473 8.602 -0.129 25225 1392 1 4 . 1 1 152 152 SER N N 152 115.253 115.253 115.920 -0.667 25225 1393 1 4 . 1 1 152 152 SER HA H 152 4.834 4.834 4.791 0.043 25225 1394 1 4 . 1 1 152 152 SER CA C 152 54.771 54.771 56.605 -1.834 25225 1395 1 4 . 1 1 152 152 SER CB C 152 62.761 62.761 64.769 -2.008 25225 1396 1 4 . 1 1 152 152 SER H H 152 9.052 9.052 8.796 0.256 25225 1397 1 4 . 1 1 153 153 SER N N 153 120.787 120.787 117.348 3.439 25225 1398 1 4 . 1 1 153 153 SER HA H 153 4.930 4.930 4.662 0.268 25225 1399 1 4 . 1 1 153 153 SER CA C 153 55.479 55.479 57.642 -2.163 25225 1400 1 4 . 1 1 153 153 SER CB C 153 61.137 61.137 63.372 -2.235 25225 1401 1 4 . 1 1 153 153 SER H H 153 8.783 8.783 8.705 0.078 25225 1402 1 4 . 1 1 154 154 SER N N 154 117.808 117.808 115.405 2.403 25225 1403 1 4 . 1 1 154 154 SER HA H 154 4.555 4.555 4.655 -0.100 25225 1404 1 4 . 1 1 154 154 SER CA C 154 54.084 54.084 57.958 -3.874 25225 1405 1 4 . 1 1 154 154 SER CB C 154 60.141 60.141 64.414 -4.273 25225 1406 1 4 . 1 1 154 154 SER H H 154 8.300 8.300 7.576 0.724 25225 1407 1 4 . 1 1 155 155 CYS N N 155 125.978 125.978 125.694 0.284 25225 1408 1 4 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.340 0.032 25225 1409 1 4 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.628 -3.990 25225 1410 1 4 . 1 1 155 155 CYS CB C 155 37.300 37.300 24.894 12.406 25225 1411 1 4 . 1 1 155 155 CYS H H 155 8.668 8.668 8.646 0.022 25225 1412 1 4 . 1 1 156 156 VAL N N 156 129.527 129.527 127.828 1.699 25225 1413 1 4 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.209 -0.044 25225 1414 1 4 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.909 -1.966 25225 1415 1 4 . 1 1 156 156 VAL CB C 156 30.381 30.381 35.588 -5.207 25225 1416 1 4 . 1 1 156 156 VAL H H 156 8.239 8.239 7.915 0.324 25225 1417 1 4 . 1 1 157 157 ALA N N 157 130.280 130.280 128.330 1.950 25225 1418 1 4 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.426 -0.284 25225 1419 1 4 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.539 -3.492 25225 1420 1 4 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.702 -2.135 25225 1421 1 4 . 1 1 157 157 ALA H H 157 8.414 8.414 8.491 -0.077 25225 1422 1 4 . 1 1 158 158 THR N N 158 115.127 115.127 116.999 -1.872 25225 1423 1 4 . 1 1 158 158 THR HA H 158 4.214 4.214 4.344 -0.130 25225 1424 1 4 . 1 1 158 158 THR CA C 158 59.207 59.207 62.172 -2.965 25225 1425 1 4 . 1 1 158 158 THR CB C 158 66.814 66.814 70.835 -4.021 25225 1426 1 4 . 1 1 158 158 THR H H 158 8.219 8.219 8.083 0.136 25225 1427 1 4 . 1 1 159 159 ASP N N 159 125.274 125.274 123.924 1.350 25225 1428 1 4 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.770 0.088 25225 1429 1 4 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.917 -2.602 25225 1430 1 4 . 1 1 159 159 ASP CB C 159 38.260 38.260 41.602 -3.342 25225 1431 1 4 . 1 1 159 159 ASP H H 159 8.548 8.548 8.189 0.359 25225 1432 1 4 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.409 -0.029 25225 1433 1 4 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.963 -2.644 25225 1434 1 4 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.240 -3.238 25225 1435 1 4 . 1 1 161 161 ASP N N 161 116.981 116.981 119.263 -2.282 25225 1436 1 4 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.577 0.132 25225 1437 1 4 . 1 1 161 161 ASP CA C 161 51.383 51.383 55.563 -4.180 25225 1438 1 4 . 1 1 161 161 ASP CB C 161 37.609 37.609 41.412 -3.803 25225 1439 1 4 . 1 1 161 161 ASP H H 161 8.402 8.402 7.915 0.487 25225 1440 1 4 . 1 1 162 162 SER N N 162 115.678 115.678 112.612 3.066 25225 1441 1 4 . 1 1 162 162 SER HA H 162 4.477 4.477 4.366 0.111 25225 1442 1 4 . 1 1 162 162 SER CA C 162 55.371 55.371 58.631 -3.260 25225 1443 1 4 . 1 1 162 162 SER CB C 162 60.763 60.763 62.476 -1.713 25225 1444 1 4 . 1 1 162 162 SER H H 162 7.865 7.865 8.441 -0.576 25225 1445 1 4 . 1 1 163 163 ILE N N 163 122.425 122.425 118.158 4.267 25225 1446 1 4 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.065 0.125 25225 1447 1 4 . 1 1 163 163 ILE CA C 163 58.539 58.539 61.435 -2.896 25225 1448 1 4 . 1 1 163 163 ILE CB C 163 35.563 35.563 37.130 -1.567 25225 1449 1 4 . 1 1 163 163 ILE H H 163 8.098 8.098 8.281 -0.183 25225 1450 1 4 . 1 1 164 164 GLY N N 164 112.830 112.830 105.809 7.021 25225 1451 1 4 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.947 -2.605 25225 1452 1 4 . 1 1 164 164 GLY H H 164 8.564 8.564 7.865 0.699 25225 1453 1 4 . 1 1 165 165 ALA N N 165 123.606 123.606 121.867 1.739 25225 1454 1 4 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.960 0.358 25225 1455 1 4 . 1 1 165 165 ALA CA C 165 49.188 49.188 53.304 -4.116 25225 1456 1 4 . 1 1 165 165 ALA CB C 165 16.158 16.158 18.120 -1.962 25225 1457 1 4 . 1 1 165 165 ALA H H 165 7.901 7.901 8.429 -0.528 25225 1458 1 4 . 1 1 166 166 ALA N N 166 122.736 122.736 118.732 4.004 25225 1459 1 4 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.771 -0.539 25225 1460 1 4 . 1 1 166 166 ALA CA C 166 49.778 49.778 51.394 -1.616 25225 1461 1 4 . 1 1 166 166 ALA CB C 166 16.171 16.171 18.811 -2.640 25225 1462 1 4 . 1 1 166 166 ALA H H 166 8.243 8.243 8.226 0.017 25225 1463 1 4 . 1 1 167 167 HIS N N 167 114.237 114.237 116.946 -2.709 25225 1464 1 4 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.804 0.183 25225 1465 1 4 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.806 -4.658 25225 1466 1 4 . 1 1 167 167 HIS CB C 167 27.221 27.221 29.914 -2.693 25225 1467 1 4 . 1 1 167 167 HIS H H 167 7.931 7.931 8.443 -0.512 25225 1468 1 4 . 1 1 168 168 LEU N N 168 123.034 123.034 123.971 -0.937 25225 1469 1 4 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.554 -0.074 25225 1470 1 4 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.366 -2.322 25225 1471 1 4 . 1 1 168 168 LEU CB C 168 40.719 40.719 40.392 0.327 25225 1472 1 4 . 1 1 168 168 LEU H H 168 8.371 8.371 7.549 0.822 25225 1473 1 4 . 1 1 169 169 ILE N N 169 121.493 121.493 123.453 -1.960 25225 1474 1 4 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.722 0.185 25225 1475 1 4 . 1 1 169 169 ILE CA C 169 56.856 56.856 59.022 -2.166 25225 1476 1 4 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.011 -0.547 25225 1477 1 4 . 1 1 169 169 ILE H H 169 8.097 8.097 7.660 0.437 25225 1478 1 4 . 1 1 170 170 PHE N N 170 125.500 125.500 127.317 -1.817 25225 1479 1 4 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.719 0.211 25225 1480 1 4 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.120 -4.317 25225 1481 1 4 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.698 -2.925 25225 1482 1 4 . 1 1 170 170 PHE H H 170 9.246 9.246 8.186 1.060 25225 1483 1 4 . 1 1 171 171 CYS N N 171 118.630 118.630 119.640 -1.010 25225 1484 1 4 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.459 -0.098 25225 1485 1 4 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.417 -5.548 25225 1486 1 4 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.570 12.801 25225 1487 1 4 . 1 1 171 171 CYS H H 171 8.577 8.577 8.568 0.009 25225 1488 1 4 . 1 1 172 172 CYS N N 172 118.255 118.255 115.758 2.497 25225 1489 1 4 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.717 -0.258 25225 1490 1 4 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.721 -5.829 25225 1491 1 4 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.272 11.859 25225 1492 1 4 . 1 1 172 172 CYS H H 172 8.679 8.679 8.407 0.272 25225 1493 1 4 . 1 1 173 173 PHE N N 173 119.428 119.428 119.106 0.322 25225 1494 1 4 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.962 0.186 25225 1495 1 4 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.674 -2.431 25225 1496 1 4 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.771 -2.331 25225 1497 1 4 . 1 1 173 173 PHE H H 173 8.810 8.810 8.669 0.141 25225 1498 1 4 . 1 1 174 174 ARG N N 174 119.247 119.247 120.814 -1.567 25225 1499 1 4 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.620 0.154 25225 1500 1 4 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.654 -3.518 25225 1501 1 4 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.373 -2.144 25225 1502 1 4 . 1 1 174 174 ARG H H 174 7.450 7.450 7.815 -0.365 25225 1503 1 4 . 1 1 175 175 ASP N N 175 119.844 119.844 123.908 -4.064 25225 1504 1 4 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.792 0.054 25225 1505 1 4 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.123 -2.609 25225 1506 1 4 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.518 -1.983 25225 1507 1 4 . 1 1 175 175 ASP H H 175 8.290 8.290 8.639 -0.349 25225 1508 1 4 . 1 1 176 176 LEU N N 176 114.448 114.448 119.057 -4.609 25225 1509 1 4 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.836 -0.492 25225 1510 1 4 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.282 -3.143 25225 1511 1 4 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.090 -5.204 25225 1512 1 4 . 1 1 176 176 LEU H H 176 9.298 9.298 8.821 0.477 25225 1513 1 4 . 1 1 177 177 CYS N N 177 112.101 112.101 115.340 -3.239 25225 1514 1 4 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.249 0.298 25225 1515 1 4 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.093 -6.561 25225 1516 1 4 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.248 14.334 25225 1517 1 4 . 1 1 177 177 CYS H H 177 7.834 7.834 7.952 -0.118 25225 1518 1 4 . 1 1 178 178 ASN N N 178 122.157 122.157 118.411 3.746 25225 1519 1 4 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.827 -0.049 25225 1520 1 4 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.052 -2.488 25225 1521 1 4 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.549 -7.411 25225 1522 1 4 . 1 1 178 178 ASN H H 178 9.014 9.014 7.904 1.111 25225 1523 1 4 . 1 1 179 179 SER N N 179 109.444 109.444 115.374 -5.930 25225 1524 1 4 . 1 1 179 179 SER HA H 179 3.945 3.945 3.926 0.019 25225 1525 1 4 . 1 1 179 179 SER CA C 179 55.092 55.092 58.348 -3.256 25225 1526 1 4 . 1 1 179 179 SER CB C 179 59.118 59.118 63.844 -4.726 25225 1527 1 4 . 1 1 179 179 SER H H 179 7.482 7.482 8.556 -1.074 25225 1528 1 4 . 1 1 180 180 GLU N N 180 120.035 120.035 119.976 0.059 25225 1529 1 4 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.358 0.001 25225 1530 1 4 . 1 1 180 180 GLU CA C 180 52.226 52.226 55.385 -3.159 25225 1531 1 4 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.649 -2.210 25225 1532 1 4 . 1 1 180 180 GLU H H 180 7.936 7.936 7.802 0.134 25225 1533 1 5 . 1 1 101 101 LEU N N 101 127.862 127.862 124.799 3.063 25225 1534 1 5 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.655 -0.021 25225 1535 1 5 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.942 -3.066 25225 1536 1 5 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.538 -0.517 25225 1537 1 5 . 1 1 101 101 LEU H H 101 8.754 8.754 8.691 0.063 25225 1538 1 5 . 1 1 102 102 LYS N N 102 121.006 121.006 125.980 -4.974 25225 1539 1 5 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.181 0.080 25225 1540 1 5 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.525 -3.933 25225 1541 1 5 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.759 -3.740 25225 1542 1 5 . 1 1 102 102 LYS H H 102 7.879 7.879 7.591 0.288 25225 1543 1 5 . 1 1 103 103 CYS N N 103 117.708 117.708 120.574 -2.866 25225 1544 1 5 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.780 0.166 25225 1545 1 5 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.275 -9.277 25225 1546 1 5 . 1 1 103 103 CYS CB C 103 38.912 38.912 32.102 6.810 25225 1547 1 5 . 1 1 103 103 CYS H H 103 8.427 8.427 8.386 0.041 25225 1548 1 5 . 1 1 104 104 TYR N N 104 121.098 121.098 120.696 0.402 25225 1549 1 5 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.869 0.267 25225 1550 1 5 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.623 -3.081 25225 1551 1 5 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.684 -2.901 25225 1552 1 5 . 1 1 104 104 TYR H H 104 8.442 8.442 9.199 -0.757 25225 1553 1 5 . 1 1 105 105 THR N N 105 110.634 110.634 115.730 -5.096 25225 1554 1 5 . 1 1 105 105 THR HA H 105 4.624 4.624 4.856 -0.232 25225 1555 1 5 . 1 1 105 105 THR CA C 105 57.375 57.375 60.308 -2.933 25225 1556 1 5 . 1 1 105 105 THR CB C 105 70.082 70.082 71.423 -1.341 25225 1557 1 5 . 1 1 105 105 THR H H 105 9.312 9.312 8.426 0.886 25225 1558 1 5 . 1 1 106 106 CYS N N 106 109.134 109.134 124.786 -15.652 25225 1559 1 5 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.755 0.087 25225 1560 1 5 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.940 -2.706 25225 1561 1 5 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.809 13.289 25225 1562 1 5 . 1 1 106 106 CYS H H 106 8.260 8.260 8.188 0.072 25225 1563 1 5 . 1 1 107 107 LYS N N 107 120.821 120.821 118.988 1.833 25225 1564 1 5 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.159 0.209 25225 1565 1 5 . 1 1 107 107 LYS CA C 107 54.209 54.209 58.201 -3.992 25225 1566 1 5 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.454 -1.887 25225 1567 1 5 . 1 1 107 107 LYS H H 107 8.624 8.624 8.404 0.220 25225 1568 1 5 . 1 1 108 108 GLU N N 108 118.533 118.533 118.438 0.095 25225 1569 1 5 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.682 0.046 25225 1570 1 5 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.748 -4.036 25225 1571 1 5 . 1 1 108 108 GLU CB C 108 27.002 27.002 31.606 -4.604 25225 1572 1 5 . 1 1 108 108 GLU H H 108 7.627 7.627 7.925 -0.298 25225 1573 1 5 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.420 0.137 25225 1574 1 5 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.198 -3.565 25225 1575 1 5 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.007 -2.435 25225 1576 1 5 . 1 1 110 110 MET N N 110 122.942 122.942 122.760 0.182 25225 1577 1 5 . 1 1 110 110 MET HA H 110 4.827 4.827 4.598 0.229 25225 1578 1 5 . 1 1 110 110 MET CA C 110 51.502 51.502 54.809 -3.307 25225 1579 1 5 . 1 1 110 110 MET CB C 110 34.636 34.636 33.731 0.905 25225 1580 1 5 . 1 1 110 110 MET H H 110 9.017 9.017 7.955 1.062 25225 1581 1 5 . 1 1 111 111 THR N N 111 110.441 110.441 115.356 -4.915 25225 1582 1 5 . 1 1 111 111 THR HA H 111 4.534 4.534 4.077 0.457 25225 1583 1 5 . 1 1 111 111 THR CA C 111 59.025 59.025 64.029 -5.004 25225 1584 1 5 . 1 1 111 111 THR H H 111 8.282 8.282 8.481 -0.199 25225 1585 1 5 . 1 1 112 112 SER N N 112 115.495 115.495 117.461 -1.966 25225 1586 1 5 . 1 1 112 112 SER HA H 112 3.890 3.890 4.342 -0.452 25225 1587 1 5 . 1 1 112 112 SER CA C 112 57.930 57.930 58.657 -0.727 25225 1588 1 5 . 1 1 112 112 SER CB C 112 59.493 59.493 63.399 -3.906 25225 1589 1 5 . 1 1 112 112 SER H H 112 8.739 8.739 7.817 0.922 25225 1590 1 5 . 1 1 113 113 ALA N N 113 119.080 119.080 130.398 -11.318 25225 1591 1 5 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.134 -0.119 25225 1592 1 5 . 1 1 113 113 ALA H H 113 8.374 8.374 8.781 -0.407 25225 1593 1 5 . 1 1 114 114 SER N N 114 110.843 110.843 114.851 -4.008 25225 1594 1 5 . 1 1 114 114 SER HA H 114 4.515 4.515 4.145 0.370 25225 1595 1 5 . 1 1 114 114 SER CA C 114 55.891 55.891 60.527 -4.636 25225 1596 1 5 . 1 1 114 114 SER CB C 114 61.376 61.376 63.079 -1.703 25225 1597 1 5 . 1 1 114 114 SER H H 114 7.561 7.561 7.923 -0.362 25225 1598 1 5 . 1 1 115 115 CYS N N 115 124.537 124.537 119.353 5.184 25225 1599 1 5 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.261 0.820 25225 1600 1 5 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.521 -6.294 25225 1601 1 5 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.417 15.647 25225 1602 1 5 . 1 1 115 115 CYS H H 115 7.576 7.576 8.530 -0.954 25225 1603 1 5 . 1 1 116 116 ARG N N 116 121.872 121.872 123.032 -1.160 25225 1604 1 5 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.647 -0.152 25225 1605 1 5 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.520 -3.618 25225 1606 1 5 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.155 -3.547 25225 1607 1 5 . 1 1 116 116 ARG H H 116 7.869 7.869 8.194 -0.325 25225 1608 1 5 . 1 1 117 117 THR N N 117 119.541 119.541 118.337 1.204 25225 1609 1 5 . 1 1 117 117 THR HA H 117 4.311 4.311 4.598 -0.287 25225 1610 1 5 . 1 1 117 117 THR CA C 117 61.472 61.472 60.629 0.843 25225 1611 1 5 . 1 1 117 117 THR CB C 117 65.543 65.543 71.805 -6.262 25225 1612 1 5 . 1 1 117 117 THR H H 117 8.309 8.309 8.222 0.087 25225 1613 1 5 . 1 1 118 118 ILE N N 118 129.953 129.953 124.104 5.849 25225 1614 1 5 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.577 0.347 25225 1615 1 5 . 1 1 118 118 ILE CA C 118 60.351 60.351 61.949 -1.598 25225 1616 1 5 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.022 -2.287 25225 1617 1 5 . 1 1 118 118 ILE H H 118 8.949 8.949 8.477 0.472 25225 1618 1 5 . 1 1 119 119 THR N N 119 126.753 126.753 124.072 2.681 25225 1619 1 5 . 1 1 119 119 THR HA H 119 4.475 4.475 4.617 -0.142 25225 1620 1 5 . 1 1 119 119 THR CA C 119 58.200 58.200 60.748 -2.548 25225 1621 1 5 . 1 1 119 119 THR CB C 119 67.794 67.794 71.823 -4.029 25225 1622 1 5 . 1 1 119 119 THR H H 119 8.711 8.711 8.559 0.152 25225 1623 1 5 . 1 1 120 120 ARG N N 120 126.298 126.298 124.810 1.488 25225 1624 1 5 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.660 -0.367 25225 1625 1 5 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.498 -2.118 25225 1626 1 5 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.430 -3.790 25225 1627 1 5 . 1 1 120 120 ARG H H 120 8.549 8.549 8.409 0.140 25225 1628 1 5 . 1 1 121 121 CYS N N 121 125.959 125.959 123.784 2.175 25225 1629 1 5 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.325 0.449 25225 1630 1 5 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.880 -9.993 25225 1631 1 5 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.151 5.518 25225 1632 1 5 . 1 1 121 121 CYS H H 121 8.747 8.747 8.695 0.052 25225 1633 1 5 . 1 1 122 122 LYS N N 122 119.892 119.892 122.186 -2.294 25225 1634 1 5 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.681 -0.192 25225 1635 1 5 . 1 1 122 122 LYS CA C 122 52.781 52.781 53.508 -0.727 25225 1636 1 5 . 1 1 122 122 LYS CB C 122 27.458 27.458 30.858 -3.400 25225 1637 1 5 . 1 1 122 122 LYS H H 122 8.576 8.576 8.423 0.153 25225 1638 1 5 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.315 -0.066 25225 1639 1 5 . 1 1 123 123 PRO CA C 123 63.009 63.009 65.028 -2.018 25225 1640 1 5 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.078 -3.390 25225 1641 1 5 . 1 1 124 124 GLU N N 124 112.877 112.877 117.507 -4.630 25225 1642 1 5 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.181 0.041 25225 1643 1 5 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.945 -2.925 25225 1644 1 5 . 1 1 124 124 GLU CB C 124 25.773 25.773 28.959 -3.186 25225 1645 1 5 . 1 1 124 124 GLU H H 124 8.892 8.892 8.298 0.594 25225 1646 1 5 . 1 1 125 125 ASP N N 125 120.983 120.983 118.952 2.031 25225 1647 1 5 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.611 -0.097 25225 1648 1 5 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.807 -1.645 25225 1649 1 5 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.870 -4.795 25225 1650 1 5 . 1 1 125 125 ASP H H 125 7.675 7.675 7.420 0.255 25225 1651 1 5 . 1 1 126 126 THR N N 126 110.714 110.714 107.733 2.981 25225 1652 1 5 . 1 1 126 126 THR HA H 126 4.445 4.445 4.449 -0.004 25225 1653 1 5 . 1 1 126 126 THR CA C 126 57.795 57.795 62.249 -4.454 25225 1654 1 5 . 1 1 126 126 THR CB C 126 68.080 68.080 71.180 -3.100 25225 1655 1 5 . 1 1 126 126 THR H H 126 8.139 8.139 8.637 -0.498 25225 1656 1 5 . 1 1 127 127 ALA N N 127 123.060 123.060 123.406 -0.346 25225 1657 1 5 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.436 0.533 25225 1658 1 5 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.772 -1.946 25225 1659 1 5 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.471 0.540 25225 1660 1 5 . 1 1 127 127 ALA H H 127 8.408 8.408 7.670 0.738 25225 1661 1 5 . 1 1 128 128 CYS N N 128 115.816 115.816 116.852 -1.036 25225 1662 1 5 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.669 0.736 25225 1663 1 5 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.971 -9.833 25225 1664 1 5 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.788 2.940 25225 1665 1 5 . 1 1 128 128 CYS H H 128 8.764 8.764 8.469 0.295 25225 1666 1 5 . 1 1 129 129 MET N N 129 126.078 126.078 119.896 6.182 25225 1667 1 5 . 1 1 129 129 MET HA H 129 5.485 5.485 5.532 -0.047 25225 1668 1 5 . 1 1 129 129 MET CA C 129 51.630 51.630 54.374 -2.744 25225 1669 1 5 . 1 1 129 129 MET CB C 129 35.308 35.308 37.722 -2.414 25225 1670 1 5 . 1 1 129 129 MET H H 129 9.366 9.366 8.814 0.552 25225 1671 1 5 . 1 1 130 130 THR N N 130 123.706 123.706 118.183 5.523 25225 1672 1 5 . 1 1 130 130 THR HA H 130 5.177 5.177 4.826 0.351 25225 1673 1 5 . 1 1 130 130 THR CA C 130 59.260 59.260 61.678 -2.418 25225 1674 1 5 . 1 1 130 130 THR CB C 130 68.549 68.549 72.089 -3.540 25225 1675 1 5 . 1 1 130 130 THR H H 130 8.903 8.903 8.961 -0.058 25225 1676 1 5 . 1 1 131 131 THR N N 131 123.644 123.644 120.676 2.968 25225 1677 1 5 . 1 1 131 131 THR HA H 131 5.110 5.110 5.279 -0.169 25225 1678 1 5 . 1 1 131 131 THR CA C 131 58.370 58.370 61.753 -3.383 25225 1679 1 5 . 1 1 131 131 THR CB C 131 66.519 66.519 70.254 -3.735 25225 1680 1 5 . 1 1 131 131 THR H H 131 9.284 9.284 8.683 0.601 25225 1681 1 5 . 1 1 132 132 LEU N N 132 128.424 128.424 128.612 -0.188 25225 1682 1 5 . 1 1 132 132 LEU HA H 132 4.749 4.749 5.054 -0.305 25225 1683 1 5 . 1 1 132 132 LEU CA C 132 51.916 51.916 54.206 -2.290 25225 1684 1 5 . 1 1 132 132 LEU CB C 132 40.734 40.734 46.002 -5.268 25225 1685 1 5 . 1 1 132 132 LEU H H 132 9.132 9.132 8.563 0.569 25225 1686 1 5 . 1 1 133 133 VAL N N 133 126.950 126.950 122.116 4.834 25225 1687 1 5 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.422 -0.349 25225 1688 1 5 . 1 1 133 133 VAL CA C 133 60.262 60.262 62.163 -1.901 25225 1689 1 5 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.201 -3.613 25225 1690 1 5 . 1 1 133 133 VAL H H 133 8.781 8.781 8.278 0.503 25225 1691 1 5 . 1 1 134 134 THR N N 134 115.286 115.286 121.744 -6.458 25225 1692 1 5 . 1 1 134 134 THR HA H 134 4.473 4.473 4.578 -0.105 25225 1693 1 5 . 1 1 134 134 THR CA C 134 58.340 58.340 61.657 -3.317 25225 1694 1 5 . 1 1 134 134 THR CB C 134 66.590 66.590 69.342 -2.752 25225 1695 1 5 . 1 1 134 134 THR H H 134 7.870 7.870 8.312 -0.442 25225 1696 1 5 . 1 1 135 135 VAL N N 135 121.196 121.196 122.566 -1.370 25225 1697 1 5 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.569 -0.278 25225 1698 1 5 . 1 1 135 135 VAL CA C 135 58.549 58.549 60.973 -2.424 25225 1699 1 5 . 1 1 135 135 VAL CB C 135 30.204 30.204 34.082 -3.878 25225 1700 1 5 . 1 1 135 135 VAL H H 135 8.142 8.142 8.257 -0.115 25225 1701 1 5 . 1 1 136 136 GLU N N 136 123.911 123.911 124.445 -0.534 25225 1702 1 5 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.363 -0.041 25225 1703 1 5 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.440 -2.984 25225 1704 1 5 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.397 1.991 25225 1705 1 5 . 1 1 136 136 GLU H H 136 8.424 8.424 8.733 -0.309 25225 1706 1 5 . 1 1 137 137 ALA N N 137 124.105 124.105 123.312 0.793 25225 1707 1 5 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.238 0.050 25225 1708 1 5 . 1 1 137 137 ALA CA C 137 49.707 49.707 52.897 -3.189 25225 1709 1 5 . 1 1 137 137 ALA CB C 137 16.293 16.293 18.908 -2.615 25225 1710 1 5 . 1 1 137 137 ALA H H 137 8.292 8.292 7.875 0.417 25225 1711 1 5 . 1 1 138 138 GLU N N 138 117.459 117.459 117.595 -0.136 25225 1712 1 5 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.020 0.242 25225 1713 1 5 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.866 -2.263 25225 1714 1 5 . 1 1 138 138 GLU CB C 138 26.856 26.856 30.116 -3.260 25225 1715 1 5 . 1 1 138 138 GLU H H 138 8.137 8.137 7.885 0.252 25225 1716 1 5 . 1 1 139 139 TYR N N 139 119.908 119.908 117.810 2.098 25225 1717 1 5 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.679 0.117 25225 1718 1 5 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.548 -2.864 25225 1719 1 5 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.321 -2.932 25225 1720 1 5 . 1 1 139 139 TYR H H 139 7.916 7.916 8.190 -0.274 25225 1721 1 5 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.401 -0.061 25225 1722 1 5 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.552 -2.883 25225 1723 1 5 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.206 -1.694 25225 1724 1 5 . 1 1 141 141 PHE N N 141 117.257 117.257 122.644 -5.387 25225 1725 1 5 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.622 -0.019 25225 1726 1 5 . 1 1 141 141 PHE CA C 141 54.567 54.567 57.969 -3.402 25225 1727 1 5 . 1 1 141 141 PHE CB C 141 35.676 35.676 41.317 -5.641 25225 1728 1 5 . 1 1 141 141 PHE H H 141 7.755 7.755 7.965 -0.210 25225 1729 1 5 . 1 1 142 142 ASN N N 142 118.560 118.560 122.741 -4.181 25225 1730 1 5 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.937 -0.282 25225 1731 1 5 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.461 -2.151 25225 1732 1 5 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.283 -3.928 25225 1733 1 5 . 1 1 142 142 ASN H H 142 8.101 8.101 8.165 -0.064 25225 1734 1 5 . 1 1 143 143 GLN N N 143 119.234 119.234 119.076 0.158 25225 1735 1 5 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.494 -0.115 25225 1736 1 5 . 1 1 143 143 GLN CA C 143 52.922 52.922 55.269 -2.347 25225 1737 1 5 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.401 -2.902 25225 1738 1 5 . 1 1 143 143 GLN H H 143 8.222 8.222 8.477 -0.255 25225 1739 1 5 . 1 1 144 144 SER N N 144 117.221 117.221 118.156 -0.935 25225 1740 1 5 . 1 1 144 144 SER HA H 144 4.830 4.830 4.389 0.441 25225 1741 1 5 . 1 1 144 144 SER CA C 144 53.218 53.218 57.945 -4.727 25225 1742 1 5 . 1 1 144 144 SER CB C 144 60.633 60.633 62.806 -2.173 25225 1743 1 5 . 1 1 144 144 SER H H 144 8.248 8.248 8.464 -0.216 25225 1744 1 5 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.385 0.189 25225 1745 1 5 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.698 -2.658 25225 1746 1 5 . 1 1 145 145 PRO CB C 145 29.313 29.313 30.971 -1.658 25225 1747 1 5 . 1 1 146 146 VAL N N 146 120.628 120.628 125.189 -4.561 25225 1748 1 5 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.390 -0.086 25225 1749 1 5 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.029 -1.689 25225 1750 1 5 . 1 1 146 146 VAL CB C 146 30.060 30.060 35.070 -5.010 25225 1751 1 5 . 1 1 146 146 VAL H H 146 8.330 8.330 7.920 0.410 25225 1752 1 5 . 1 1 147 147 VAL N N 147 116.972 116.972 121.612 -4.640 25225 1753 1 5 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.494 1.210 25225 1754 1 5 . 1 1 147 147 VAL H H 147 9.040 9.040 8.320 0.720 25225 1755 1 5 . 1 1 148 148 THR N N 148 107.103 107.103 109.965 -2.862 25225 1756 1 5 . 1 1 148 148 THR HA H 148 4.906 4.906 4.698 0.208 25225 1757 1 5 . 1 1 148 148 THR CA C 148 58.020 58.020 61.001 -2.981 25225 1758 1 5 . 1 1 148 148 THR CB C 148 67.765 67.765 71.340 -3.575 25225 1759 1 5 . 1 1 148 148 THR H H 148 8.442 8.442 7.910 0.532 25225 1760 1 5 . 1 1 149 149 ARG N N 149 120.370 120.370 126.991 -6.621 25225 1761 1 5 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.813 0.818 25225 1762 1 5 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.516 -3.537 25225 1763 1 5 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.865 0.396 25225 1764 1 5 . 1 1 149 149 ARG H H 149 7.623 7.623 8.529 -0.906 25225 1765 1 5 . 1 1 150 150 SER N N 150 113.789 113.789 119.010 -5.221 25225 1766 1 5 . 1 1 150 150 SER HA H 150 4.790 4.790 4.734 0.056 25225 1767 1 5 . 1 1 150 150 SER CA C 150 54.647 54.647 56.779 -2.132 25225 1768 1 5 . 1 1 150 150 SER CB C 150 63.412 63.412 67.020 -3.608 25225 1769 1 5 . 1 1 150 150 SER H H 150 8.709 8.709 8.170 0.539 25225 1770 1 5 . 1 1 151 151 CYS N N 151 120.824 120.824 121.557 -0.733 25225 1771 1 5 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.366 0.775 25225 1772 1 5 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.833 -4.738 25225 1773 1 5 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.847 14.174 25225 1774 1 5 . 1 1 151 151 CYS H H 151 8.473 8.473 8.759 -0.286 25225 1775 1 5 . 1 1 152 152 SER N N 152 115.253 115.253 115.336 -0.083 25225 1776 1 5 . 1 1 152 152 SER HA H 152 4.834 4.834 4.797 0.037 25225 1777 1 5 . 1 1 152 152 SER CA C 152 54.771 54.771 56.584 -1.813 25225 1778 1 5 . 1 1 152 152 SER CB C 152 62.761 62.761 64.544 -1.783 25225 1779 1 5 . 1 1 152 152 SER H H 152 9.052 9.052 8.763 0.289 25225 1780 1 5 . 1 1 153 153 SER N N 153 120.787 120.787 117.034 3.753 25225 1781 1 5 . 1 1 153 153 SER HA H 153 4.930 4.930 4.837 0.093 25225 1782 1 5 . 1 1 153 153 SER CA C 153 55.479 55.479 57.633 -2.154 25225 1783 1 5 . 1 1 153 153 SER CB C 153 61.137 61.137 63.846 -2.709 25225 1784 1 5 . 1 1 153 153 SER H H 153 8.783 8.783 8.798 -0.015 25225 1785 1 5 . 1 1 154 154 SER N N 154 117.808 117.808 115.678 2.130 25225 1786 1 5 . 1 1 154 154 SER HA H 154 4.555 4.555 4.667 -0.112 25225 1787 1 5 . 1 1 154 154 SER CA C 154 54.084 54.084 57.843 -3.759 25225 1788 1 5 . 1 1 154 154 SER CB C 154 60.141 60.141 64.346 -4.205 25225 1789 1 5 . 1 1 154 154 SER H H 154 8.300 8.300 7.606 0.694 25225 1790 1 5 . 1 1 155 155 CYS N N 155 125.978 125.978 125.935 0.043 25225 1791 1 5 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.455 -0.083 25225 1792 1 5 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.830 -4.192 25225 1793 1 5 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.308 11.992 25225 1794 1 5 . 1 1 155 155 CYS H H 155 8.668 8.668 8.834 -0.166 25225 1795 1 5 . 1 1 156 156 VAL N N 156 129.527 129.527 127.959 1.568 25225 1796 1 5 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.338 -0.173 25225 1797 1 5 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.861 -2.918 25225 1798 1 5 . 1 1 156 156 VAL CB C 156 30.381 30.381 35.725 -5.344 25225 1799 1 5 . 1 1 156 156 VAL H H 156 8.239 8.239 8.139 0.100 25225 1800 1 5 . 1 1 157 157 ALA N N 157 130.280 130.280 130.883 -0.603 25225 1801 1 5 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.337 -0.195 25225 1802 1 5 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.236 -3.189 25225 1803 1 5 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.979 -2.412 25225 1804 1 5 . 1 1 157 157 ALA H H 157 8.414 8.414 8.327 0.087 25225 1805 1 5 . 1 1 158 158 THR N N 158 115.127 115.127 115.680 -0.553 25225 1806 1 5 . 1 1 158 158 THR HA H 158 4.214 4.214 4.410 -0.196 25225 1807 1 5 . 1 1 158 158 THR CA C 158 59.207 59.207 61.554 -2.347 25225 1808 1 5 . 1 1 158 158 THR CB C 158 66.814 66.814 68.505 -1.691 25225 1809 1 5 . 1 1 158 158 THR H H 158 8.219 8.219 8.293 -0.074 25225 1810 1 5 . 1 1 159 159 ASP N N 159 125.274 125.274 127.043 -1.769 25225 1811 1 5 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.122 -0.264 25225 1812 1 5 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.395 -3.080 25225 1813 1 5 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.938 -4.678 25225 1814 1 5 . 1 1 159 159 ASP H H 159 8.548 8.548 8.223 0.325 25225 1815 1 5 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.478 -0.098 25225 1816 1 5 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.976 -2.657 25225 1817 1 5 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.369 -3.367 25225 1818 1 5 . 1 1 161 161 ASP N N 161 116.981 116.981 118.536 -1.555 25225 1819 1 5 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.646 0.063 25225 1820 1 5 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.247 -2.864 25225 1821 1 5 . 1 1 161 161 ASP CB C 161 37.609 37.609 41.392 -3.783 25225 1822 1 5 . 1 1 161 161 ASP H H 161 8.402 8.402 8.331 0.071 25225 1823 1 5 . 1 1 162 162 SER N N 162 115.678 115.678 112.028 3.650 25225 1824 1 5 . 1 1 162 162 SER HA H 162 4.477 4.477 4.142 0.335 25225 1825 1 5 . 1 1 162 162 SER CA C 162 55.371 55.371 59.494 -4.123 25225 1826 1 5 . 1 1 162 162 SER CB C 162 60.763 60.763 62.462 -1.700 25225 1827 1 5 . 1 1 162 162 SER H H 162 7.865 7.865 8.249 -0.384 25225 1828 1 5 . 1 1 163 163 ILE N N 163 122.425 122.425 119.003 3.422 25225 1829 1 5 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.160 0.030 25225 1830 1 5 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.337 -3.798 25225 1831 1 5 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.133 -2.570 25225 1832 1 5 . 1 1 163 163 ILE H H 163 8.098 8.098 7.893 0.205 25225 1833 1 5 . 1 1 164 164 GLY N N 164 112.830 112.830 107.362 5.468 25225 1834 1 5 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.722 -2.380 25225 1835 1 5 . 1 1 164 164 GLY H H 164 8.564 8.564 7.925 0.639 25225 1836 1 5 . 1 1 165 165 ALA N N 165 123.606 123.606 121.298 2.308 25225 1837 1 5 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.038 0.280 25225 1838 1 5 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.476 -3.288 25225 1839 1 5 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.729 -1.571 25225 1840 1 5 . 1 1 165 165 ALA H H 165 7.901 7.901 7.999 -0.098 25225 1841 1 5 . 1 1 166 166 ALA N N 166 122.736 122.736 119.742 2.994 25225 1842 1 5 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.264 -0.032 25225 1843 1 5 . 1 1 166 166 ALA CA C 166 49.778 49.778 51.705 -1.927 25225 1844 1 5 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.171 -3.000 25225 1845 1 5 . 1 1 166 166 ALA H H 166 8.243 8.243 8.073 0.170 25225 1846 1 5 . 1 1 167 167 HIS N N 167 114.237 114.237 117.366 -3.129 25225 1847 1 5 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.643 0.344 25225 1848 1 5 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.791 -4.643 25225 1849 1 5 . 1 1 167 167 HIS CB C 167 27.221 27.221 31.174 -3.953 25225 1850 1 5 . 1 1 167 167 HIS H H 167 7.931 7.931 7.637 0.294 25225 1851 1 5 . 1 1 168 168 LEU N N 168 123.034 123.034 125.437 -2.403 25225 1852 1 5 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.637 -0.157 25225 1853 1 5 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.219 -2.175 25225 1854 1 5 . 1 1 168 168 LEU CB C 168 40.719 40.719 43.260 -2.541 25225 1855 1 5 . 1 1 168 168 LEU H H 168 8.371 8.371 8.148 0.223 25225 1856 1 5 . 1 1 169 169 ILE N N 169 121.493 121.493 123.490 -1.997 25225 1857 1 5 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.936 -0.029 25225 1858 1 5 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.119 -3.263 25225 1859 1 5 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.421 -0.957 25225 1860 1 5 . 1 1 169 169 ILE H H 169 8.097 8.097 8.509 -0.412 25225 1861 1 5 . 1 1 170 170 PHE N N 170 125.500 125.500 127.709 -2.209 25225 1862 1 5 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.775 0.155 25225 1863 1 5 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.224 -5.421 25225 1864 1 5 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.501 -3.728 25225 1865 1 5 . 1 1 170 170 PHE H H 170 9.246 9.246 8.151 1.095 25225 1866 1 5 . 1 1 171 171 CYS N N 171 118.630 118.630 114.904 3.726 25225 1867 1 5 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.462 -0.101 25225 1868 1 5 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.301 -6.432 25225 1869 1 5 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.131 12.240 25225 1870 1 5 . 1 1 171 171 CYS H H 171 8.577 8.577 8.350 0.227 25225 1871 1 5 . 1 1 172 172 CYS N N 172 118.255 118.255 115.992 2.263 25225 1872 1 5 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.922 -0.463 25225 1873 1 5 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.914 -6.022 25225 1874 1 5 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.652 11.479 25225 1875 1 5 . 1 1 172 172 CYS H H 172 8.679 8.679 8.485 0.194 25225 1876 1 5 . 1 1 173 173 PHE N N 173 119.428 119.428 119.102 0.326 25225 1877 1 5 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.903 0.245 25225 1878 1 5 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.701 -2.458 25225 1879 1 5 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.417 -1.977 25225 1880 1 5 . 1 1 173 173 PHE H H 173 8.810 8.810 8.768 0.042 25225 1881 1 5 . 1 1 174 174 ARG N N 174 119.247 119.247 120.064 -0.817 25225 1882 1 5 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.613 0.161 25225 1883 1 5 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.856 -3.720 25225 1884 1 5 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.826 -2.597 25225 1885 1 5 . 1 1 174 174 ARG H H 174 7.450 7.450 7.898 -0.448 25225 1886 1 5 . 1 1 175 175 ASP N N 175 119.844 119.844 123.762 -3.918 25225 1887 1 5 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.800 0.046 25225 1888 1 5 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.453 -2.939 25225 1889 1 5 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.538 -2.003 25225 1890 1 5 . 1 1 175 175 ASP H H 175 8.290 8.290 8.617 -0.327 25225 1891 1 5 . 1 1 176 176 LEU N N 176 114.448 114.448 118.796 -4.348 25225 1892 1 5 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.972 -0.628 25225 1893 1 5 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.226 -3.087 25225 1894 1 5 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.919 -5.033 25225 1895 1 5 . 1 1 176 176 LEU H H 176 9.298 9.298 8.488 0.810 25225 1896 1 5 . 1 1 177 177 CYS N N 177 112.101 112.101 115.155 -3.054 25225 1897 1 5 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.229 0.318 25225 1898 1 5 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.000 -6.468 25225 1899 1 5 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.091 14.491 25225 1900 1 5 . 1 1 177 177 CYS H H 177 7.834 7.834 8.021 -0.187 25225 1901 1 5 . 1 1 178 178 ASN N N 178 122.157 122.157 117.419 4.738 25225 1902 1 5 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.746 0.032 25225 1903 1 5 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.294 -2.730 25225 1904 1 5 . 1 1 178 178 ASN CB C 178 33.138 33.138 41.174 -8.036 25225 1905 1 5 . 1 1 178 178 ASN H H 178 9.014 9.014 7.667 1.347 25225 1906 1 5 . 1 1 179 179 SER N N 179 109.444 109.444 115.638 -6.194 25225 1907 1 5 . 1 1 179 179 SER HA H 179 3.945 3.945 3.830 0.115 25225 1908 1 5 . 1 1 179 179 SER CA C 179 55.092 55.092 59.489 -4.397 25225 1909 1 5 . 1 1 179 179 SER CB C 179 59.118 59.118 63.578 -4.460 25225 1910 1 5 . 1 1 179 179 SER H H 179 7.482 7.482 8.516 -1.034 25225 1911 1 5 . 1 1 180 180 GLU N N 180 120.035 120.035 120.254 -0.219 25225 1912 1 5 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.168 0.191 25225 1913 1 5 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.460 -4.234 25225 1914 1 5 . 1 1 180 180 GLU CB C 180 28.439 28.439 29.964 -1.525 25225 1915 1 5 . 1 1 180 180 GLU H H 180 7.936 7.936 8.046 -0.110 25225 1916 1 6 . 1 1 101 101 LEU N N 101 127.862 127.862 126.076 1.786 25225 1917 1 6 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.616 0.018 25225 1918 1 6 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.737 -2.861 25225 1919 1 6 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.467 -0.445 25225 1920 1 6 . 1 1 101 101 LEU H H 101 8.754 8.754 8.621 0.133 25225 1921 1 6 . 1 1 102 102 LYS N N 102 121.006 121.006 125.654 -4.648 25225 1922 1 6 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.080 0.181 25225 1923 1 6 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.035 -3.443 25225 1924 1 6 . 1 1 102 102 LYS CB C 102 32.019 32.019 34.858 -2.839 25225 1925 1 6 . 1 1 102 102 LYS H H 102 7.879 7.879 8.170 -0.291 25225 1926 1 6 . 1 1 103 103 CYS N N 103 117.708 117.708 121.191 -3.483 25225 1927 1 6 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.771 0.175 25225 1928 1 6 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.457 -9.459 25225 1929 1 6 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.736 8.176 25225 1930 1 6 . 1 1 103 103 CYS H H 103 8.427 8.427 8.862 -0.435 25225 1931 1 6 . 1 1 104 104 TYR N N 104 121.098 121.098 123.407 -2.309 25225 1932 1 6 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.668 0.468 25225 1933 1 6 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.532 -2.990 25225 1934 1 6 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.534 -1.751 25225 1935 1 6 . 1 1 104 104 TYR H H 104 8.442 8.442 9.136 -0.694 25225 1936 1 6 . 1 1 105 105 THR N N 105 110.634 110.634 114.789 -4.155 25225 1937 1 6 . 1 1 105 105 THR HA H 105 4.624 4.624 4.758 -0.134 25225 1938 1 6 . 1 1 105 105 THR CA C 105 57.375 57.375 60.071 -2.696 25225 1939 1 6 . 1 1 105 105 THR CB C 105 70.082 70.082 71.035 -0.953 25225 1940 1 6 . 1 1 105 105 THR H H 105 9.312 9.312 8.362 0.950 25225 1941 1 6 . 1 1 106 106 CYS N N 106 109.134 109.134 123.602 -14.468 25225 1942 1 6 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.676 0.166 25225 1943 1 6 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.135 -2.901 25225 1944 1 6 . 1 1 106 106 CYS CB C 106 43.098 43.098 28.799 14.299 25225 1945 1 6 . 1 1 106 106 CYS H H 106 8.260 8.260 8.392 -0.132 25225 1946 1 6 . 1 1 107 107 LYS N N 107 120.821 120.821 122.533 -1.712 25225 1947 1 6 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.437 -0.069 25225 1948 1 6 . 1 1 107 107 LYS CA C 107 54.209 54.209 56.646 -2.437 25225 1949 1 6 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.008 -1.441 25225 1950 1 6 . 1 1 107 107 LYS H H 107 8.624 8.624 8.745 -0.121 25225 1951 1 6 . 1 1 108 108 GLU N N 108 118.533 118.533 118.590 -0.057 25225 1952 1 6 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.700 0.028 25225 1953 1 6 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.583 -3.871 25225 1954 1 6 . 1 1 108 108 GLU CB C 108 27.002 27.002 32.417 -5.415 25225 1955 1 6 . 1 1 108 108 GLU H H 108 7.627 7.627 7.653 -0.026 25225 1956 1 6 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.639 -0.082 25225 1957 1 6 . 1 1 109 109 PRO CA C 109 59.633 59.633 62.753 -3.120 25225 1958 1 6 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.551 -3.979 25225 1959 1 6 . 1 1 110 110 MET N N 110 122.942 122.942 114.233 8.709 25225 1960 1 6 . 1 1 110 110 MET HA H 110 4.827 4.827 4.609 0.218 25225 1961 1 6 . 1 1 110 110 MET CA C 110 51.502 51.502 58.224 -6.722 25225 1962 1 6 . 1 1 110 110 MET CB C 110 34.636 34.636 32.049 2.587 25225 1963 1 6 . 1 1 110 110 MET H H 110 9.017 9.017 8.330 0.687 25225 1964 1 6 . 1 1 111 111 THR N N 111 110.441 110.441 113.066 -2.625 25225 1965 1 6 . 1 1 111 111 THR HA H 111 4.534 4.534 4.004 0.530 25225 1966 1 6 . 1 1 111 111 THR CA C 111 59.025 59.025 64.546 -5.521 25225 1967 1 6 . 1 1 111 111 THR H H 111 8.282 8.282 7.957 0.325 25225 1968 1 6 . 1 1 112 112 SER N N 112 115.495 115.495 116.311 -0.816 25225 1969 1 6 . 1 1 112 112 SER HA H 112 3.890 3.890 4.511 -0.621 25225 1970 1 6 . 1 1 112 112 SER CA C 112 57.930 57.930 56.658 1.272 25225 1971 1 6 . 1 1 112 112 SER CB C 112 59.493 59.493 64.981 -5.488 25225 1972 1 6 . 1 1 112 112 SER H H 112 8.739 8.739 7.511 1.228 25225 1973 1 6 . 1 1 113 113 ALA N N 113 119.080 119.080 129.709 -10.629 25225 1974 1 6 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.496 -0.481 25225 1975 1 6 . 1 1 113 113 ALA H H 113 8.374 8.374 8.625 -0.251 25225 1976 1 6 . 1 1 114 114 SER N N 114 110.843 110.843 113.286 -2.443 25225 1977 1 6 . 1 1 114 114 SER HA H 114 4.515 4.515 4.388 0.127 25225 1978 1 6 . 1 1 114 114 SER CA C 114 55.891 55.891 58.985 -3.094 25225 1979 1 6 . 1 1 114 114 SER CB C 114 61.376 61.376 63.682 -2.306 25225 1980 1 6 . 1 1 114 114 SER H H 114 7.561 7.561 8.189 -0.628 25225 1981 1 6 . 1 1 115 115 CYS N N 115 124.537 124.537 120.816 3.721 25225 1982 1 6 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.614 0.467 25225 1983 1 6 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.996 -5.769 25225 1984 1 6 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.986 15.078 25225 1985 1 6 . 1 1 115 115 CYS H H 115 7.576 7.576 8.588 -1.012 25225 1986 1 6 . 1 1 116 116 ARG N N 116 121.872 121.872 124.835 -2.963 25225 1987 1 6 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.598 -0.103 25225 1988 1 6 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.667 -3.764 25225 1989 1 6 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.062 -3.454 25225 1990 1 6 . 1 1 116 116 ARG H H 116 7.869 7.869 7.998 -0.129 25225 1991 1 6 . 1 1 117 117 THR N N 117 119.541 119.541 116.139 3.402 25225 1992 1 6 . 1 1 117 117 THR HA H 117 4.311 4.311 4.628 -0.317 25225 1993 1 6 . 1 1 117 117 THR CA C 117 61.472 61.472 61.382 0.090 25225 1994 1 6 . 1 1 117 117 THR CB C 117 65.543 65.543 71.818 -6.275 25225 1995 1 6 . 1 1 117 117 THR H H 117 8.309 8.309 8.390 -0.081 25225 1996 1 6 . 1 1 118 118 ILE N N 118 129.953 129.953 125.503 4.450 25225 1997 1 6 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.740 0.184 25225 1998 1 6 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.106 -1.756 25225 1999 1 6 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.401 -2.666 25225 2000 1 6 . 1 1 118 118 ILE H H 118 8.949 8.949 8.674 0.275 25225 2001 1 6 . 1 1 119 119 THR N N 119 126.753 126.753 122.437 4.316 25225 2002 1 6 . 1 1 119 119 THR HA H 119 4.475 4.475 4.655 -0.180 25225 2003 1 6 . 1 1 119 119 THR CA C 119 58.200 58.200 60.686 -2.486 25225 2004 1 6 . 1 1 119 119 THR CB C 119 67.794 67.794 71.981 -4.187 25225 2005 1 6 . 1 1 119 119 THR H H 119 8.711 8.711 8.225 0.486 25225 2006 1 6 . 1 1 120 120 ARG N N 120 126.298 126.298 124.539 1.759 25225 2007 1 6 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.521 -0.228 25225 2008 1 6 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.984 -2.604 25225 2009 1 6 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.914 -3.274 25225 2010 1 6 . 1 1 120 120 ARG H H 120 8.549 8.549 8.468 0.081 25225 2011 1 6 . 1 1 121 121 CYS N N 121 125.959 125.959 125.168 0.791 25225 2012 1 6 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.357 0.417 25225 2013 1 6 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.825 -9.938 25225 2014 1 6 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.163 5.506 25225 2015 1 6 . 1 1 121 121 CYS H H 121 8.747 8.747 8.811 -0.064 25225 2016 1 6 . 1 1 122 122 LYS N N 122 119.892 119.892 122.683 -2.791 25225 2017 1 6 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.621 -0.132 25225 2018 1 6 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.611 -1.830 25225 2019 1 6 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.629 -4.171 25225 2020 1 6 . 1 1 122 122 LYS H H 122 8.576 8.576 8.429 0.147 25225 2021 1 6 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.342 -0.093 25225 2022 1 6 . 1 1 123 123 PRO CA C 123 63.009 63.009 65.000 -1.991 25225 2023 1 6 . 1 1 123 123 PRO CB C 123 28.688 28.688 31.930 -3.242 25225 2024 1 6 . 1 1 124 124 GLU N N 124 112.877 112.877 117.823 -4.946 25225 2025 1 6 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.348 -0.126 25225 2026 1 6 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.766 -2.746 25225 2027 1 6 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.028 -3.255 25225 2028 1 6 . 1 1 124 124 GLU H H 124 8.892 8.892 8.593 0.299 25225 2029 1 6 . 1 1 125 125 ASP N N 125 120.983 120.983 119.056 1.927 25225 2030 1 6 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.747 -0.233 25225 2031 1 6 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.529 -1.367 25225 2032 1 6 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.796 -4.721 25225 2033 1 6 . 1 1 125 125 ASP H H 125 7.675 7.675 7.472 0.203 25225 2034 1 6 . 1 1 126 126 THR N N 126 110.714 110.714 107.745 2.969 25225 2035 1 6 . 1 1 126 126 THR HA H 126 4.445 4.445 4.531 -0.086 25225 2036 1 6 . 1 1 126 126 THR CA C 126 57.795 57.795 62.328 -4.533 25225 2037 1 6 . 1 1 126 126 THR CB C 126 68.080 68.080 71.314 -3.234 25225 2038 1 6 . 1 1 126 126 THR H H 126 8.139 8.139 8.674 -0.535 25225 2039 1 6 . 1 1 127 127 ALA N N 127 123.060 123.060 123.569 -0.509 25225 2040 1 6 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.516 0.453 25225 2041 1 6 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.822 -1.996 25225 2042 1 6 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.439 0.571 25225 2043 1 6 . 1 1 127 127 ALA H H 127 8.408 8.408 7.611 0.797 25225 2044 1 6 . 1 1 128 128 CYS N N 128 115.816 115.816 116.487 -0.671 25225 2045 1 6 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.683 0.722 25225 2046 1 6 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.869 -9.731 25225 2047 1 6 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.608 3.120 25225 2048 1 6 . 1 1 128 128 CYS H H 128 8.764 8.764 8.566 0.198 25225 2049 1 6 . 1 1 129 129 MET N N 129 126.078 126.078 119.526 6.552 25225 2050 1 6 . 1 1 129 129 MET HA H 129 5.485 5.485 5.444 0.041 25225 2051 1 6 . 1 1 129 129 MET CA C 129 51.630 51.630 54.358 -2.728 25225 2052 1 6 . 1 1 129 129 MET CB C 129 35.308 35.308 37.718 -2.410 25225 2053 1 6 . 1 1 129 129 MET H H 129 9.366 9.366 8.801 0.565 25225 2054 1 6 . 1 1 130 130 THR N N 130 123.706 123.706 118.450 5.256 25225 2055 1 6 . 1 1 130 130 THR HA H 130 5.177 5.177 4.771 0.406 25225 2056 1 6 . 1 1 130 130 THR CA C 130 59.260 59.260 62.114 -2.854 25225 2057 1 6 . 1 1 130 130 THR CB C 130 68.549 68.549 72.135 -3.586 25225 2058 1 6 . 1 1 130 130 THR H H 130 8.903 8.903 9.013 -0.110 25225 2059 1 6 . 1 1 131 131 THR N N 131 123.644 123.644 123.630 0.014 25225 2060 1 6 . 1 1 131 131 THR HA H 131 5.110 5.110 5.104 0.006 25225 2061 1 6 . 1 1 131 131 THR CA C 131 58.370 58.370 62.504 -4.134 25225 2062 1 6 . 1 1 131 131 THR CB C 131 66.519 66.519 68.867 -2.348 25225 2063 1 6 . 1 1 131 131 THR H H 131 9.284 9.284 8.366 0.918 25225 2064 1 6 . 1 1 132 132 LEU N N 132 128.424 128.424 123.826 4.598 25225 2065 1 6 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.981 -0.232 25225 2066 1 6 . 1 1 132 132 LEU CA C 132 51.916 51.916 52.866 -0.950 25225 2067 1 6 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.622 -4.888 25225 2068 1 6 . 1 1 132 132 LEU H H 132 9.132 9.132 8.531 0.601 25225 2069 1 6 . 1 1 133 133 VAL N N 133 126.950 126.950 112.713 14.237 25225 2070 1 6 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.495 -0.422 25225 2071 1 6 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.425 -1.163 25225 2072 1 6 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.569 -2.981 25225 2073 1 6 . 1 1 133 133 VAL H H 133 8.781 8.781 8.085 0.696 25225 2074 1 6 . 1 1 134 134 THR N N 134 115.286 115.286 118.524 -3.238 25225 2075 1 6 . 1 1 134 134 THR HA H 134 4.473 4.473 4.294 0.179 25225 2076 1 6 . 1 1 134 134 THR CA C 134 58.340 58.340 63.504 -5.164 25225 2077 1 6 . 1 1 134 134 THR CB C 134 66.590 66.590 69.409 -2.818 25225 2078 1 6 . 1 1 134 134 THR H H 134 7.870 7.870 8.323 -0.453 25225 2079 1 6 . 1 1 135 135 VAL N N 135 121.196 121.196 120.528 0.668 25225 2080 1 6 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.262 0.029 25225 2081 1 6 . 1 1 135 135 VAL CA C 135 58.549 58.549 60.575 -2.026 25225 2082 1 6 . 1 1 135 135 VAL CB C 135 30.204 30.204 33.672 -3.468 25225 2083 1 6 . 1 1 135 135 VAL H H 135 8.142 8.142 7.534 0.608 25225 2084 1 6 . 1 1 136 136 GLU N N 136 123.911 123.911 124.345 -0.434 25225 2085 1 6 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.491 -0.169 25225 2086 1 6 . 1 1 136 136 GLU CA C 136 53.456 53.456 55.481 -2.025 25225 2087 1 6 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.480 1.908 25225 2088 1 6 . 1 1 136 136 GLU H H 136 8.424 8.424 8.436 -0.012 25225 2089 1 6 . 1 1 137 137 ALA N N 137 124.105 124.105 126.613 -2.508 25225 2090 1 6 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.398 -0.110 25225 2091 1 6 . 1 1 137 137 ALA CA C 137 49.707 49.707 52.412 -2.705 25225 2092 1 6 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.218 -2.925 25225 2093 1 6 . 1 1 137 137 ALA H H 137 8.292 8.292 8.481 -0.189 25225 2094 1 6 . 1 1 138 138 GLU N N 138 117.459 117.459 117.174 0.285 25225 2095 1 6 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.437 -0.175 25225 2096 1 6 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.491 -1.888 25225 2097 1 6 . 1 1 138 138 GLU CB C 138 26.856 26.856 31.217 -4.361 25225 2098 1 6 . 1 1 138 138 GLU H H 138 8.137 8.137 7.871 0.266 25225 2099 1 6 . 1 1 139 139 TYR N N 139 119.908 119.908 120.252 -0.344 25225 2100 1 6 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.836 -0.040 25225 2101 1 6 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.199 -2.515 25225 2102 1 6 . 1 1 139 139 TYR CB C 139 35.389 35.389 37.784 -2.395 25225 2103 1 6 . 1 1 139 139 TYR H H 139 7.916 7.916 8.289 -0.373 25225 2104 1 6 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.561 -0.221 25225 2105 1 6 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.702 -2.033 25225 2106 1 6 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.854 -4.342 25225 2107 1 6 . 1 1 141 141 PHE N N 141 117.257 117.257 118.212 -0.955 25225 2108 1 6 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.482 0.121 25225 2109 1 6 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.146 -4.579 25225 2110 1 6 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.647 -3.971 25225 2111 1 6 . 1 1 141 141 PHE H H 141 7.755 7.755 8.721 -0.966 25225 2112 1 6 . 1 1 142 142 ASN N N 142 118.560 118.560 115.907 2.653 25225 2113 1 6 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.934 -0.279 25225 2114 1 6 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.415 -2.105 25225 2115 1 6 . 1 1 142 142 ASN CB C 142 35.355 35.355 40.502 -5.147 25225 2116 1 6 . 1 1 142 142 ASN H H 142 8.101 8.101 7.712 0.389 25225 2117 1 6 . 1 1 143 143 GLN N N 143 119.234 119.234 119.714 -0.480 25225 2118 1 6 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.255 0.124 25225 2119 1 6 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.295 -3.373 25225 2120 1 6 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.499 -3.000 25225 2121 1 6 . 1 1 143 143 GLN H H 143 8.222 8.222 8.582 -0.360 25225 2122 1 6 . 1 1 144 144 SER N N 144 117.221 117.221 115.580 1.641 25225 2123 1 6 . 1 1 144 144 SER HA H 144 4.830 4.830 4.315 0.515 25225 2124 1 6 . 1 1 144 144 SER CA C 144 53.218 53.218 57.976 -4.758 25225 2125 1 6 . 1 1 144 144 SER CB C 144 60.633 60.633 62.334 -1.701 25225 2126 1 6 . 1 1 144 144 SER H H 144 8.248 8.248 8.109 0.139 25225 2127 1 6 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.483 0.091 25225 2128 1 6 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.865 -2.825 25225 2129 1 6 . 1 1 145 145 PRO CB C 145 29.313 29.313 30.678 -1.365 25225 2130 1 6 . 1 1 146 146 VAL N N 146 120.628 120.628 120.256 0.372 25225 2131 1 6 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.682 -0.378 25225 2132 1 6 . 1 1 146 146 VAL CA C 146 58.340 58.340 59.941 -1.601 25225 2133 1 6 . 1 1 146 146 VAL CB C 146 30.060 30.060 35.172 -5.112 25225 2134 1 6 . 1 1 146 146 VAL H H 146 8.330 8.330 7.683 0.647 25225 2135 1 6 . 1 1 147 147 VAL N N 147 116.972 116.972 116.396 0.576 25225 2136 1 6 . 1 1 147 147 VAL HA H 147 5.704 5.704 5.016 0.688 25225 2137 1 6 . 1 1 147 147 VAL H H 147 9.040 9.040 8.316 0.724 25225 2138 1 6 . 1 1 148 148 THR N N 148 107.103 107.103 113.280 -6.177 25225 2139 1 6 . 1 1 148 148 THR HA H 148 4.906 4.906 4.734 0.172 25225 2140 1 6 . 1 1 148 148 THR CA C 148 58.020 58.020 61.503 -3.483 25225 2141 1 6 . 1 1 148 148 THR CB C 148 67.765 67.765 70.517 -2.752 25225 2142 1 6 . 1 1 148 148 THR H H 148 8.442 8.442 8.303 0.139 25225 2143 1 6 . 1 1 149 149 ARG N N 149 120.370 120.370 129.151 -8.781 25225 2144 1 6 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.711 0.920 25225 2145 1 6 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.842 -3.863 25225 2146 1 6 . 1 1 149 149 ARG CB C 149 33.261 33.261 31.671 1.591 25225 2147 1 6 . 1 1 149 149 ARG H H 149 7.623 7.623 8.474 -0.851 25225 2148 1 6 . 1 1 150 150 SER N N 150 113.789 113.789 119.415 -5.626 25225 2149 1 6 . 1 1 150 150 SER HA H 150 4.790 4.790 4.741 0.049 25225 2150 1 6 . 1 1 150 150 SER CA C 150 54.647 54.647 56.407 -1.760 25225 2151 1 6 . 1 1 150 150 SER CB C 150 63.412 63.412 66.458 -3.046 25225 2152 1 6 . 1 1 150 150 SER H H 150 8.709 8.709 8.015 0.694 25225 2153 1 6 . 1 1 151 151 CYS N N 151 120.824 120.824 121.164 -0.340 25225 2154 1 6 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.424 0.717 25225 2155 1 6 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.349 -4.254 25225 2156 1 6 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.421 13.600 25225 2157 1 6 . 1 1 151 151 CYS H H 151 8.473 8.473 8.690 -0.217 25225 2158 1 6 . 1 1 152 152 SER N N 152 115.253 115.253 115.196 0.057 25225 2159 1 6 . 1 1 152 152 SER HA H 152 4.834 4.834 4.802 0.032 25225 2160 1 6 . 1 1 152 152 SER CA C 152 54.771 54.771 56.574 -1.803 25225 2161 1 6 . 1 1 152 152 SER CB C 152 62.761 62.761 64.417 -1.656 25225 2162 1 6 . 1 1 152 152 SER H H 152 9.052 9.052 8.787 0.265 25225 2163 1 6 . 1 1 153 153 SER N N 153 120.787 120.787 115.269 5.518 25225 2164 1 6 . 1 1 153 153 SER HA H 153 4.930 4.930 4.979 -0.049 25225 2165 1 6 . 1 1 153 153 SER CA C 153 55.479 55.479 57.581 -2.103 25225 2166 1 6 . 1 1 153 153 SER CB C 153 61.137 61.137 63.647 -2.510 25225 2167 1 6 . 1 1 153 153 SER H H 153 8.783 8.783 8.773 0.010 25225 2168 1 6 . 1 1 154 154 SER N N 154 117.808 117.808 115.224 2.584 25225 2169 1 6 . 1 1 154 154 SER HA H 154 4.555 4.555 4.662 -0.107 25225 2170 1 6 . 1 1 154 154 SER CA C 154 54.084 54.084 58.281 -4.197 25225 2171 1 6 . 1 1 154 154 SER CB C 154 60.141 60.141 64.387 -4.246 25225 2172 1 6 . 1 1 154 154 SER H H 154 8.300 8.300 7.602 0.698 25225 2173 1 6 . 1 1 155 155 CYS N N 155 125.978 125.978 126.205 -0.227 25225 2174 1 6 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.372 0.000 25225 2175 1 6 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.486 -3.849 25225 2176 1 6 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.212 12.088 25225 2177 1 6 . 1 1 155 155 CYS H H 155 8.668 8.668 8.740 -0.072 25225 2178 1 6 . 1 1 156 156 VAL N N 156 129.527 129.527 124.859 4.668 25225 2179 1 6 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.423 -0.258 25225 2180 1 6 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.318 -2.375 25225 2181 1 6 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.284 -3.903 25225 2182 1 6 . 1 1 156 156 VAL H H 156 8.239 8.239 7.971 0.268 25225 2183 1 6 . 1 1 157 157 ALA N N 157 130.280 130.280 129.164 1.116 25225 2184 1 6 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.584 -0.442 25225 2185 1 6 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.663 -2.616 25225 2186 1 6 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.771 -3.204 25225 2187 1 6 . 1 1 157 157 ALA H H 157 8.414 8.414 8.155 0.259 25225 2188 1 6 . 1 1 158 158 THR N N 158 115.127 115.127 119.786 -4.659 25225 2189 1 6 . 1 1 158 158 THR HA H 158 4.214 4.214 4.312 -0.098 25225 2190 1 6 . 1 1 158 158 THR CA C 158 59.207 59.207 62.817 -3.610 25225 2191 1 6 . 1 1 158 158 THR CB C 158 66.814 66.814 68.842 -2.028 25225 2192 1 6 . 1 1 158 158 THR H H 158 8.219 8.219 8.436 -0.217 25225 2193 1 6 . 1 1 159 159 ASP N N 159 125.274 125.274 126.778 -1.504 25225 2194 1 6 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.886 -0.028 25225 2195 1 6 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.694 -3.379 25225 2196 1 6 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.198 -3.938 25225 2197 1 6 . 1 1 159 159 ASP H H 159 8.548 8.548 8.060 0.488 25225 2198 1 6 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.484 -0.104 25225 2199 1 6 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.834 -2.515 25225 2200 1 6 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.685 -3.683 25225 2201 1 6 . 1 1 161 161 ASP N N 161 116.981 116.981 116.578 0.403 25225 2202 1 6 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.642 0.067 25225 2203 1 6 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.075 -2.692 25225 2204 1 6 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.988 -3.379 25225 2205 1 6 . 1 1 161 161 ASP H H 161 8.402 8.402 8.257 0.145 25225 2206 1 6 . 1 1 162 162 SER N N 162 115.678 115.678 112.469 3.209 25225 2207 1 6 . 1 1 162 162 SER HA H 162 4.477 4.477 4.365 0.112 25225 2208 1 6 . 1 1 162 162 SER CA C 162 55.371 55.371 58.959 -3.588 25225 2209 1 6 . 1 1 162 162 SER CB C 162 60.763 60.763 62.462 -1.699 25225 2210 1 6 . 1 1 162 162 SER H H 162 7.865 7.865 8.046 -0.181 25225 2211 1 6 . 1 1 163 163 ILE N N 163 122.425 122.425 119.016 3.409 25225 2212 1 6 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.031 0.159 25225 2213 1 6 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.590 -4.051 25225 2214 1 6 . 1 1 163 163 ILE CB C 163 35.563 35.563 37.807 -2.244 25225 2215 1 6 . 1 1 163 163 ILE H H 163 8.098 8.098 8.042 0.056 25225 2216 1 6 . 1 1 164 164 GLY N N 164 112.830 112.830 109.248 3.582 25225 2217 1 6 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.687 -2.345 25225 2218 1 6 . 1 1 164 164 GLY H H 164 8.564 8.564 7.912 0.652 25225 2219 1 6 . 1 1 165 165 ALA N N 165 123.606 123.606 121.347 2.259 25225 2220 1 6 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.023 0.295 25225 2221 1 6 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.347 -3.159 25225 2222 1 6 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.392 -1.234 25225 2223 1 6 . 1 1 165 165 ALA H H 165 7.901 7.901 8.325 -0.424 25225 2224 1 6 . 1 1 166 166 ALA N N 166 122.736 122.736 118.866 3.870 25225 2225 1 6 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.022 0.210 25225 2226 1 6 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.156 -3.378 25225 2227 1 6 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.477 -3.306 25225 2228 1 6 . 1 1 166 166 ALA H H 166 8.243 8.243 7.697 0.546 25225 2229 1 6 . 1 1 167 167 HIS N N 167 114.237 114.237 115.466 -1.229 25225 2230 1 6 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.727 0.260 25225 2231 1 6 . 1 1 167 167 HIS CA C 167 51.148 51.148 54.844 -3.696 25225 2232 1 6 . 1 1 167 167 HIS CB C 167 27.221 27.221 31.073 -3.852 25225 2233 1 6 . 1 1 167 167 HIS H H 167 7.931 7.931 7.700 0.231 25225 2234 1 6 . 1 1 168 168 LEU N N 168 123.034 123.034 125.476 -2.442 25225 2235 1 6 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.509 -0.029 25225 2236 1 6 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.695 -2.651 25225 2237 1 6 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.853 -1.134 25225 2238 1 6 . 1 1 168 168 LEU H H 168 8.371 8.371 8.316 0.055 25225 2239 1 6 . 1 1 169 169 ILE N N 169 121.493 121.493 125.077 -3.584 25225 2240 1 6 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.654 0.253 25225 2241 1 6 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.444 -3.588 25225 2242 1 6 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.433 0.031 25225 2243 1 6 . 1 1 169 169 ILE H H 169 8.097 8.097 8.347 -0.250 25225 2244 1 6 . 1 1 170 170 PHE N N 170 125.500 125.500 126.856 -1.356 25225 2245 1 6 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.682 0.248 25225 2246 1 6 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.657 -5.854 25225 2247 1 6 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.616 -2.843 25225 2248 1 6 . 1 1 170 170 PHE H H 170 9.246 9.246 8.586 0.660 25225 2249 1 6 . 1 1 171 171 CYS N N 171 118.630 118.630 115.307 3.323 25225 2250 1 6 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.409 -0.048 25225 2251 1 6 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.133 -6.264 25225 2252 1 6 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.067 12.304 25225 2253 1 6 . 1 1 171 171 CYS H H 171 8.577 8.577 8.166 0.411 25225 2254 1 6 . 1 1 172 172 CYS N N 172 118.255 118.255 115.945 2.310 25225 2255 1 6 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.762 -0.303 25225 2256 1 6 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.661 -5.769 25225 2257 1 6 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.554 11.577 25225 2258 1 6 . 1 1 172 172 CYS H H 172 8.679 8.679 8.520 0.159 25225 2259 1 6 . 1 1 173 173 PHE N N 173 119.428 119.428 118.835 0.593 25225 2260 1 6 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.873 0.275 25225 2261 1 6 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.707 -2.464 25225 2262 1 6 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.956 -2.516 25225 2263 1 6 . 1 1 173 173 PHE H H 173 8.810 8.810 8.680 0.130 25225 2264 1 6 . 1 1 174 174 ARG N N 174 119.247 119.247 121.041 -1.794 25225 2265 1 6 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.635 0.139 25225 2266 1 6 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.748 -3.612 25225 2267 1 6 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.102 -1.873 25225 2268 1 6 . 1 1 174 174 ARG H H 174 7.450 7.450 7.815 -0.365 25225 2269 1 6 . 1 1 175 175 ASP N N 175 119.844 119.844 123.446 -3.602 25225 2270 1 6 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.802 0.044 25225 2271 1 6 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.251 -2.737 25225 2272 1 6 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.396 -1.861 25225 2273 1 6 . 1 1 175 175 ASP H H 175 8.290 8.290 8.644 -0.354 25225 2274 1 6 . 1 1 176 176 LEU N N 176 114.448 114.448 118.909 -4.461 25225 2275 1 6 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.774 -0.430 25225 2276 1 6 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.221 -3.082 25225 2277 1 6 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.175 -5.290 25225 2278 1 6 . 1 1 176 176 LEU H H 176 9.298 9.298 8.889 0.409 25225 2279 1 6 . 1 1 177 177 CYS N N 177 112.101 112.101 116.191 -4.090 25225 2280 1 6 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.243 0.304 25225 2281 1 6 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.276 -6.744 25225 2282 1 6 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.108 14.474 25225 2283 1 6 . 1 1 177 177 CYS H H 177 7.834 7.834 8.142 -0.308 25225 2284 1 6 . 1 1 178 178 ASN N N 178 122.157 122.157 117.650 4.507 25225 2285 1 6 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.732 0.046 25225 2286 1 6 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.887 -3.323 25225 2287 1 6 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.257 -7.119 25225 2288 1 6 . 1 1 178 178 ASN H H 178 9.014 9.014 7.782 1.232 25225 2289 1 6 . 1 1 179 179 SER N N 179 109.444 109.444 113.927 -4.483 25225 2290 1 6 . 1 1 179 179 SER HA H 179 3.945 3.945 4.163 -0.218 25225 2291 1 6 . 1 1 179 179 SER CA C 179 55.092 55.092 58.147 -3.055 25225 2292 1 6 . 1 1 179 179 SER CB C 179 59.118 59.118 63.388 -4.269 25225 2293 1 6 . 1 1 179 179 SER H H 179 7.482 7.482 8.455 -0.973 25225 2294 1 6 . 1 1 180 180 GLU N N 180 120.035 120.035 122.121 -2.086 25225 2295 1 6 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.269 0.090 25225 2296 1 6 . 1 1 180 180 GLU CA C 180 52.226 52.226 55.907 -3.681 25225 2297 1 6 . 1 1 180 180 GLU CB C 180 28.439 28.439 28.977 -0.538 25225 2298 1 6 . 1 1 180 180 GLU H H 180 7.936 7.936 8.055 -0.119 25225 2299 1 7 . 1 1 101 101 LEU N N 101 127.862 127.862 126.568 1.294 25225 2300 1 7 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.599 0.035 25225 2301 1 7 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.678 -2.802 25225 2302 1 7 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.480 -0.459 25225 2303 1 7 . 1 1 101 101 LEU H H 101 8.754 8.754 8.699 0.055 25225 2304 1 7 . 1 1 102 102 LYS N N 102 121.006 121.006 126.363 -5.357 25225 2305 1 7 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.186 0.075 25225 2306 1 7 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.090 -3.498 25225 2307 1 7 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.050 -3.031 25225 2308 1 7 . 1 1 102 102 LYS H H 102 7.879 7.879 8.590 -0.711 25225 2309 1 7 . 1 1 103 103 CYS N N 103 117.708 117.708 121.565 -3.857 25225 2310 1 7 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.745 0.201 25225 2311 1 7 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.239 -9.242 25225 2312 1 7 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.907 8.005 25225 2313 1 7 . 1 1 103 103 CYS H H 103 8.427 8.427 8.474 -0.047 25225 2314 1 7 . 1 1 104 104 TYR N N 104 121.098 121.098 122.716 -1.618 25225 2315 1 7 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.649 0.487 25225 2316 1 7 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.823 -3.281 25225 2317 1 7 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.257 -2.474 25225 2318 1 7 . 1 1 104 104 TYR H H 104 8.442 8.442 9.158 -0.716 25225 2319 1 7 . 1 1 105 105 THR N N 105 110.634 110.634 116.564 -5.930 25225 2320 1 7 . 1 1 105 105 THR HA H 105 4.624 4.624 4.757 -0.133 25225 2321 1 7 . 1 1 105 105 THR CA C 105 57.375 57.375 59.916 -2.542 25225 2322 1 7 . 1 1 105 105 THR CB C 105 70.082 70.082 70.263 -0.181 25225 2323 1 7 . 1 1 105 105 THR H H 105 9.312 9.312 8.406 0.906 25225 2324 1 7 . 1 1 106 106 CYS N N 106 109.134 109.134 124.155 -15.021 25225 2325 1 7 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.735 0.107 25225 2326 1 7 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.763 -2.529 25225 2327 1 7 . 1 1 106 106 CYS CB C 106 43.098 43.098 30.029 13.069 25225 2328 1 7 . 1 1 106 106 CYS H H 106 8.260 8.260 8.853 -0.593 25225 2329 1 7 . 1 1 107 107 LYS N N 107 120.821 120.821 121.243 -0.422 25225 2330 1 7 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.264 0.104 25225 2331 1 7 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.540 -3.331 25225 2332 1 7 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.911 -2.344 25225 2333 1 7 . 1 1 107 107 LYS H H 107 8.624 8.624 8.682 -0.058 25225 2334 1 7 . 1 1 108 108 GLU N N 108 118.533 118.533 121.228 -2.695 25225 2335 1 7 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.697 0.031 25225 2336 1 7 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.534 -3.822 25225 2337 1 7 . 1 1 108 108 GLU CB C 108 27.002 27.002 30.110 -3.108 25225 2338 1 7 . 1 1 108 108 GLU H H 108 7.627 7.627 8.138 -0.511 25225 2339 1 7 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.389 0.168 25225 2340 1 7 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.004 -3.371 25225 2341 1 7 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.579 -3.007 25225 2342 1 7 . 1 1 110 110 MET N N 110 122.942 122.942 121.402 1.540 25225 2343 1 7 . 1 1 110 110 MET HA H 110 4.827 4.827 4.803 0.024 25225 2344 1 7 . 1 1 110 110 MET CA C 110 51.502 51.502 54.519 -3.017 25225 2345 1 7 . 1 1 110 110 MET CB C 110 34.636 34.636 34.686 -0.050 25225 2346 1 7 . 1 1 110 110 MET H H 110 9.017 9.017 7.750 1.267 25225 2347 1 7 . 1 1 111 111 THR N N 111 110.441 110.441 113.786 -3.345 25225 2348 1 7 . 1 1 111 111 THR HA H 111 4.534 4.534 4.422 0.112 25225 2349 1 7 . 1 1 111 111 THR CA C 111 59.025 59.025 62.758 -3.733 25225 2350 1 7 . 1 1 111 111 THR H H 111 8.282 8.282 8.276 0.006 25225 2351 1 7 . 1 1 112 112 SER N N 112 115.495 115.495 120.070 -4.575 25225 2352 1 7 . 1 1 112 112 SER HA H 112 3.890 3.890 4.575 -0.685 25225 2353 1 7 . 1 1 112 112 SER CA C 112 57.930 57.930 57.926 0.004 25225 2354 1 7 . 1 1 112 112 SER CB C 112 59.493 59.493 65.303 -5.810 25225 2355 1 7 . 1 1 112 112 SER H H 112 8.739 8.739 7.817 0.922 25225 2356 1 7 . 1 1 113 113 ALA N N 113 119.080 119.080 126.049 -6.969 25225 2357 1 7 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.266 -0.251 25225 2358 1 7 . 1 1 113 113 ALA H H 113 8.374 8.374 8.573 -0.200 25225 2359 1 7 . 1 1 114 114 SER N N 114 110.843 110.843 110.358 0.485 25225 2360 1 7 . 1 1 114 114 SER HA H 114 4.515 4.515 4.415 0.100 25225 2361 1 7 . 1 1 114 114 SER CA C 114 55.891 55.891 57.684 -1.793 25225 2362 1 7 . 1 1 114 114 SER CB C 114 61.376 61.376 62.982 -1.606 25225 2363 1 7 . 1 1 114 114 SER H H 114 7.561 7.561 7.834 -0.273 25225 2364 1 7 . 1 1 115 115 CYS N N 115 124.537 124.537 122.630 1.907 25225 2365 1 7 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.579 0.502 25225 2366 1 7 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.593 -5.366 25225 2367 1 7 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.750 16.314 25225 2368 1 7 . 1 1 115 115 CYS H H 115 7.576 7.576 7.661 -0.085 25225 2369 1 7 . 1 1 116 116 ARG N N 116 121.872 121.872 120.983 0.889 25225 2370 1 7 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.629 -0.134 25225 2371 1 7 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.948 -4.045 25225 2372 1 7 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.351 -3.743 25225 2373 1 7 . 1 1 116 116 ARG H H 116 7.869 7.869 7.382 0.487 25225 2374 1 7 . 1 1 117 117 THR N N 117 119.541 119.541 116.455 3.086 25225 2375 1 7 . 1 1 117 117 THR HA H 117 4.311 4.311 4.680 -0.369 25225 2376 1 7 . 1 1 117 117 THR CA C 117 61.472 61.472 60.042 1.430 25225 2377 1 7 . 1 1 117 117 THR CB C 117 65.543 65.543 71.683 -6.140 25225 2378 1 7 . 1 1 117 117 THR H H 117 8.309 8.309 8.108 0.201 25225 2379 1 7 . 1 1 118 118 ILE N N 118 129.953 129.953 124.132 5.821 25225 2380 1 7 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.760 0.164 25225 2381 1 7 . 1 1 118 118 ILE CA C 118 60.351 60.351 61.860 -1.509 25225 2382 1 7 . 1 1 118 118 ILE CB C 118 34.735 34.735 36.866 -2.131 25225 2383 1 7 . 1 1 118 118 ILE H H 118 8.949 8.949 8.617 0.332 25225 2384 1 7 . 1 1 119 119 THR N N 119 126.753 126.753 123.655 3.098 25225 2385 1 7 . 1 1 119 119 THR HA H 119 4.475 4.475 4.617 -0.142 25225 2386 1 7 . 1 1 119 119 THR CA C 119 58.200 58.200 60.461 -2.261 25225 2387 1 7 . 1 1 119 119 THR CB C 119 67.794 67.794 71.407 -3.613 25225 2388 1 7 . 1 1 119 119 THR H H 119 8.711 8.711 8.158 0.553 25225 2389 1 7 . 1 1 120 120 ARG N N 120 126.298 126.298 124.843 1.455 25225 2390 1 7 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.502 -0.209 25225 2391 1 7 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.769 -2.389 25225 2392 1 7 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.463 -3.823 25225 2393 1 7 . 1 1 120 120 ARG H H 120 8.549 8.549 8.487 0.062 25225 2394 1 7 . 1 1 121 121 CYS N N 121 125.959 125.959 124.705 1.254 25225 2395 1 7 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.418 0.356 25225 2396 1 7 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.804 -9.917 25225 2397 1 7 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.000 5.669 25225 2398 1 7 . 1 1 121 121 CYS H H 121 8.747 8.747 8.723 0.024 25225 2399 1 7 . 1 1 122 122 LYS N N 122 119.892 119.892 122.383 -2.491 25225 2400 1 7 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.376 0.113 25225 2401 1 7 . 1 1 122 122 LYS CA C 122 52.781 52.781 55.773 -2.991 25225 2402 1 7 . 1 1 122 122 LYS CB C 122 27.458 27.458 32.495 -5.037 25225 2403 1 7 . 1 1 122 122 LYS H H 122 8.576 8.576 8.480 0.096 25225 2404 1 7 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.496 -0.247 25225 2405 1 7 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.561 -1.552 25225 2406 1 7 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.055 -3.367 25225 2407 1 7 . 1 1 124 124 GLU N N 124 112.877 112.877 117.901 -5.024 25225 2408 1 7 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.257 -0.035 25225 2409 1 7 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.904 -2.884 25225 2410 1 7 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.621 -3.848 25225 2411 1 7 . 1 1 124 124 GLU H H 124 8.892 8.892 8.405 0.487 25225 2412 1 7 . 1 1 125 125 ASP N N 125 120.983 120.983 119.157 1.826 25225 2413 1 7 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.704 -0.190 25225 2414 1 7 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.983 -1.821 25225 2415 1 7 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.435 -4.360 25225 2416 1 7 . 1 1 125 125 ASP H H 125 7.675 7.675 7.786 -0.111 25225 2417 1 7 . 1 1 126 126 THR N N 126 110.714 110.714 112.089 -1.375 25225 2418 1 7 . 1 1 126 126 THR HA H 126 4.445 4.445 4.504 -0.059 25225 2419 1 7 . 1 1 126 126 THR CA C 126 57.795 57.795 61.799 -4.004 25225 2420 1 7 . 1 1 126 126 THR CB C 126 68.080 68.080 70.885 -2.805 25225 2421 1 7 . 1 1 126 126 THR H H 126 8.139 8.139 7.958 0.181 25225 2422 1 7 . 1 1 127 127 ALA N N 127 123.060 123.060 123.663 -0.603 25225 2423 1 7 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.642 0.327 25225 2424 1 7 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.950 -2.124 25225 2425 1 7 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.796 0.215 25225 2426 1 7 . 1 1 127 127 ALA H H 127 8.408 8.408 7.651 0.757 25225 2427 1 7 . 1 1 128 128 CYS N N 128 115.816 115.816 117.213 -1.397 25225 2428 1 7 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.626 0.779 25225 2429 1 7 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.866 -9.728 25225 2430 1 7 . 1 1 128 128 CYS CB C 128 33.728 33.728 29.965 3.763 25225 2431 1 7 . 1 1 128 128 CYS H H 128 8.764 8.764 8.595 0.169 25225 2432 1 7 . 1 1 129 129 MET N N 129 126.078 126.078 119.453 6.625 25225 2433 1 7 . 1 1 129 129 MET HA H 129 5.485 5.485 5.524 -0.039 25225 2434 1 7 . 1 1 129 129 MET CA C 129 51.630 51.630 54.401 -2.771 25225 2435 1 7 . 1 1 129 129 MET CB C 129 35.308 35.308 38.059 -2.751 25225 2436 1 7 . 1 1 129 129 MET H H 129 9.366 9.366 8.820 0.546 25225 2437 1 7 . 1 1 130 130 THR N N 130 123.706 123.706 118.154 5.552 25225 2438 1 7 . 1 1 130 130 THR HA H 130 5.177 5.177 4.930 0.247 25225 2439 1 7 . 1 1 130 130 THR CA C 130 59.260 59.260 61.717 -2.457 25225 2440 1 7 . 1 1 130 130 THR CB C 130 68.549 68.549 72.268 -3.719 25225 2441 1 7 . 1 1 130 130 THR H H 130 8.903 8.903 8.932 -0.029 25225 2442 1 7 . 1 1 131 131 THR N N 131 123.644 123.644 120.365 3.279 25225 2443 1 7 . 1 1 131 131 THR HA H 131 5.110 5.110 5.076 0.034 25225 2444 1 7 . 1 1 131 131 THR CA C 131 58.370 58.370 61.745 -3.375 25225 2445 1 7 . 1 1 131 131 THR CB C 131 66.519 66.519 69.387 -2.868 25225 2446 1 7 . 1 1 131 131 THR H H 131 9.284 9.284 8.404 0.880 25225 2447 1 7 . 1 1 132 132 LEU N N 132 128.424 128.424 128.260 0.164 25225 2448 1 7 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.880 -0.131 25225 2449 1 7 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.886 -1.970 25225 2450 1 7 . 1 1 132 132 LEU CB C 132 40.734 40.734 44.980 -4.246 25225 2451 1 7 . 1 1 132 132 LEU H H 132 9.132 9.132 8.897 0.235 25225 2452 1 7 . 1 1 133 133 VAL N N 133 126.950 126.950 117.264 9.686 25225 2453 1 7 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.784 -0.711 25225 2454 1 7 . 1 1 133 133 VAL CA C 133 60.262 60.262 60.627 -0.365 25225 2455 1 7 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.248 -2.660 25225 2456 1 7 . 1 1 133 133 VAL H H 133 8.781 8.781 8.154 0.627 25225 2457 1 7 . 1 1 134 134 THR N N 134 115.286 115.286 120.796 -5.510 25225 2458 1 7 . 1 1 134 134 THR HA H 134 4.473 4.473 4.618 -0.145 25225 2459 1 7 . 1 1 134 134 THR CA C 134 58.340 58.340 61.800 -3.460 25225 2460 1 7 . 1 1 134 134 THR CB C 134 66.590 66.590 69.516 -2.926 25225 2461 1 7 . 1 1 134 134 THR H H 134 7.870 7.870 8.290 -0.420 25225 2462 1 7 . 1 1 135 135 VAL N N 135 121.196 121.196 125.219 -4.023 25225 2463 1 7 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.374 -0.083 25225 2464 1 7 . 1 1 135 135 VAL CA C 135 58.549 58.549 61.684 -3.135 25225 2465 1 7 . 1 1 135 135 VAL CB C 135 30.204 30.204 35.383 -5.179 25225 2466 1 7 . 1 1 135 135 VAL H H 135 8.142 8.142 8.187 -0.045 25225 2467 1 7 . 1 1 136 136 GLU N N 136 123.911 123.911 125.815 -1.904 25225 2468 1 7 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.298 0.024 25225 2469 1 7 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.703 -3.247 25225 2470 1 7 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.744 2.644 25225 2471 1 7 . 1 1 136 136 GLU H H 136 8.424 8.424 8.667 -0.243 25225 2472 1 7 . 1 1 137 137 ALA N N 137 124.105 124.105 129.181 -5.076 25225 2473 1 7 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.393 -0.105 25225 2474 1 7 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.953 -2.245 25225 2475 1 7 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.841 -3.548 25225 2476 1 7 . 1 1 137 137 ALA H H 137 8.292 8.292 8.489 -0.197 25225 2477 1 7 . 1 1 138 138 GLU N N 138 117.459 117.459 121.459 -4.000 25225 2478 1 7 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.196 0.066 25225 2479 1 7 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.566 -3.963 25225 2480 1 7 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.954 -3.098 25225 2481 1 7 . 1 1 138 138 GLU H H 138 8.137 8.137 8.727 -0.590 25225 2482 1 7 . 1 1 139 139 TYR N N 139 119.908 119.908 119.865 0.043 25225 2483 1 7 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.793 0.003 25225 2484 1 7 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.505 -1.821 25225 2485 1 7 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.689 -3.300 25225 2486 1 7 . 1 1 139 139 TYR H H 139 7.916 7.916 7.747 0.169 25225 2487 1 7 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.561 -0.221 25225 2488 1 7 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.651 -2.982 25225 2489 1 7 . 1 1 140 140 PRO CB C 140 28.512 28.512 31.054 -2.542 25225 2490 1 7 . 1 1 141 141 PHE N N 141 117.257 117.257 126.237 -8.980 25225 2491 1 7 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.453 0.150 25225 2492 1 7 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.905 -4.338 25225 2493 1 7 . 1 1 141 141 PHE CB C 141 35.676 35.676 40.096 -4.420 25225 2494 1 7 . 1 1 141 141 PHE H H 141 7.755 7.755 8.755 -1.000 25225 2495 1 7 . 1 1 142 142 ASN N N 142 118.560 118.560 115.715 2.845 25225 2496 1 7 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.841 -0.186 25225 2497 1 7 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.628 -2.318 25225 2498 1 7 . 1 1 142 142 ASN CB C 142 35.355 35.355 40.190 -4.835 25225 2499 1 7 . 1 1 142 142 ASN H H 142 8.101 8.101 7.906 0.195 25225 2500 1 7 . 1 1 143 143 GLN N N 143 119.234 119.234 120.190 -0.956 25225 2501 1 7 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.326 0.053 25225 2502 1 7 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.455 -3.533 25225 2503 1 7 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.424 -2.925 25225 2504 1 7 . 1 1 143 143 GLN H H 143 8.222 8.222 8.699 -0.477 25225 2505 1 7 . 1 1 144 144 SER N N 144 117.221 117.221 115.015 2.206 25225 2506 1 7 . 1 1 144 144 SER HA H 144 4.830 4.830 4.354 0.476 25225 2507 1 7 . 1 1 144 144 SER CA C 144 53.218 53.218 58.190 -4.972 25225 2508 1 7 . 1 1 144 144 SER CB C 144 60.633 60.633 62.633 -2.000 25225 2509 1 7 . 1 1 144 144 SER H H 144 8.248 8.248 8.024 0.224 25225 2510 1 7 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.511 0.063 25225 2511 1 7 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.886 -2.846 25225 2512 1 7 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.203 -2.890 25225 2513 1 7 . 1 1 146 146 VAL N N 146 120.628 120.628 116.124 4.504 25225 2514 1 7 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.349 -0.045 25225 2515 1 7 . 1 1 146 146 VAL CA C 146 58.340 58.340 59.810 -1.470 25225 2516 1 7 . 1 1 146 146 VAL CB C 146 30.060 30.060 33.391 -3.331 25225 2517 1 7 . 1 1 146 146 VAL H H 146 8.330 8.330 7.944 0.386 25225 2518 1 7 . 1 1 147 147 VAL N N 147 116.972 116.972 114.637 2.335 25225 2519 1 7 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.480 1.224 25225 2520 1 7 . 1 1 147 147 VAL H H 147 9.040 9.040 8.085 0.955 25225 2521 1 7 . 1 1 148 148 THR N N 148 107.103 107.103 111.218 -4.115 25225 2522 1 7 . 1 1 148 148 THR HA H 148 4.906 4.906 4.665 0.241 25225 2523 1 7 . 1 1 148 148 THR CA C 148 58.020 58.020 60.934 -2.914 25225 2524 1 7 . 1 1 148 148 THR CB C 148 67.765 67.765 71.597 -3.832 25225 2525 1 7 . 1 1 148 148 THR H H 148 8.442 8.442 7.880 0.562 25225 2526 1 7 . 1 1 149 149 ARG N N 149 120.370 120.370 127.227 -6.857 25225 2527 1 7 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.913 0.718 25225 2528 1 7 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.367 -3.388 25225 2529 1 7 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.119 1.142 25225 2530 1 7 . 1 1 149 149 ARG H H 149 7.623 7.623 8.870 -1.247 25225 2531 1 7 . 1 1 150 150 SER N N 150 113.789 113.789 119.351 -5.562 25225 2532 1 7 . 1 1 150 150 SER HA H 150 4.790 4.790 4.776 0.014 25225 2533 1 7 . 1 1 150 150 SER CA C 150 54.647 54.647 56.249 -1.602 25225 2534 1 7 . 1 1 150 150 SER CB C 150 63.412 63.412 66.500 -3.088 25225 2535 1 7 . 1 1 150 150 SER H H 150 8.709 8.709 8.113 0.596 25225 2536 1 7 . 1 1 151 151 CYS N N 151 120.824 120.824 120.905 -0.081 25225 2537 1 7 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.449 0.692 25225 2538 1 7 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.484 -4.389 25225 2539 1 7 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.358 13.663 25225 2540 1 7 . 1 1 151 151 CYS H H 151 8.473 8.473 8.651 -0.178 25225 2541 1 7 . 1 1 152 152 SER N N 152 115.253 115.253 113.930 1.323 25225 2542 1 7 . 1 1 152 152 SER HA H 152 4.834 4.834 4.749 0.085 25225 2543 1 7 . 1 1 152 152 SER CA C 152 54.771 54.771 57.440 -2.669 25225 2544 1 7 . 1 1 152 152 SER CB C 152 62.761 62.761 64.614 -1.853 25225 2545 1 7 . 1 1 152 152 SER H H 152 9.052 9.052 8.866 0.186 25225 2546 1 7 . 1 1 153 153 SER N N 153 120.787 120.787 116.681 4.106 25225 2547 1 7 . 1 1 153 153 SER HA H 153 4.930 4.930 4.868 0.062 25225 2548 1 7 . 1 1 153 153 SER CA C 153 55.479 55.479 57.634 -2.155 25225 2549 1 7 . 1 1 153 153 SER CB C 153 61.137 61.137 63.491 -2.354 25225 2550 1 7 . 1 1 153 153 SER H H 153 8.783 8.783 8.607 0.176 25225 2551 1 7 . 1 1 154 154 SER N N 154 117.808 117.808 115.500 2.308 25225 2552 1 7 . 1 1 154 154 SER HA H 154 4.555 4.555 4.669 -0.114 25225 2553 1 7 . 1 1 154 154 SER CA C 154 54.084 54.084 58.203 -4.119 25225 2554 1 7 . 1 1 154 154 SER CB C 154 60.141 60.141 64.204 -4.063 25225 2555 1 7 . 1 1 154 154 SER H H 154 8.300 8.300 7.626 0.674 25225 2556 1 7 . 1 1 155 155 CYS N N 155 125.978 125.978 125.582 0.396 25225 2557 1 7 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.402 -0.030 25225 2558 1 7 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.283 -3.645 25225 2559 1 7 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.163 12.137 25225 2560 1 7 . 1 1 155 155 CYS H H 155 8.668 8.668 8.711 -0.043 25225 2561 1 7 . 1 1 156 156 VAL N N 156 129.527 129.527 128.052 1.475 25225 2562 1 7 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.177 -0.012 25225 2563 1 7 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.993 -2.050 25225 2564 1 7 . 1 1 156 156 VAL CB C 156 30.381 30.381 35.360 -4.979 25225 2565 1 7 . 1 1 156 156 VAL H H 156 8.239 8.239 7.989 0.250 25225 2566 1 7 . 1 1 157 157 ALA N N 157 130.280 130.280 128.038 2.242 25225 2567 1 7 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.437 -0.295 25225 2568 1 7 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.368 -3.321 25225 2569 1 7 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.377 -2.810 25225 2570 1 7 . 1 1 157 157 ALA H H 157 8.414 8.414 8.340 0.074 25225 2571 1 7 . 1 1 158 158 THR N N 158 115.127 115.127 114.197 0.930 25225 2572 1 7 . 1 1 158 158 THR HA H 158 4.214 4.214 4.463 -0.249 25225 2573 1 7 . 1 1 158 158 THR CA C 158 59.207 59.207 61.601 -2.394 25225 2574 1 7 . 1 1 158 158 THR CB C 158 66.814 66.814 70.061 -3.247 25225 2575 1 7 . 1 1 158 158 THR H H 158 8.219 8.219 8.067 0.152 25225 2576 1 7 . 1 1 159 159 ASP N N 159 125.274 125.274 126.891 -1.617 25225 2577 1 7 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.100 -0.242 25225 2578 1 7 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.773 -2.458 25225 2579 1 7 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.695 -4.435 25225 2580 1 7 . 1 1 159 159 ASP H H 159 8.548 8.548 8.532 0.016 25225 2581 1 7 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.371 0.009 25225 2582 1 7 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.651 -2.332 25225 2583 1 7 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.276 -3.274 25225 2584 1 7 . 1 1 161 161 ASP N N 161 116.981 116.981 118.603 -1.622 25225 2585 1 7 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.410 0.299 25225 2586 1 7 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.880 -3.498 25225 2587 1 7 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.993 -3.384 25225 2588 1 7 . 1 1 161 161 ASP H H 161 8.402 8.402 7.835 0.567 25225 2589 1 7 . 1 1 162 162 SER N N 162 115.678 115.678 112.099 3.579 25225 2590 1 7 . 1 1 162 162 SER HA H 162 4.477 4.477 4.170 0.307 25225 2591 1 7 . 1 1 162 162 SER CA C 162 55.371 55.371 59.790 -4.419 25225 2592 1 7 . 1 1 162 162 SER CB C 162 60.763 60.763 62.056 -1.293 25225 2593 1 7 . 1 1 162 162 SER H H 162 7.865 7.865 8.114 -0.249 25225 2594 1 7 . 1 1 163 163 ILE N N 163 122.425 122.425 119.569 2.856 25225 2595 1 7 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.134 0.056 25225 2596 1 7 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.018 -3.479 25225 2597 1 7 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.380 -2.817 25225 2598 1 7 . 1 1 163 163 ILE H H 163 8.098 8.098 8.176 -0.078 25225 2599 1 7 . 1 1 164 164 GLY N N 164 112.830 112.830 106.605 6.225 25225 2600 1 7 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.078 -2.736 25225 2601 1 7 . 1 1 164 164 GLY H H 164 8.564 8.564 7.812 0.752 25225 2602 1 7 . 1 1 165 165 ALA N N 165 123.606 123.606 120.762 2.844 25225 2603 1 7 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.181 0.137 25225 2604 1 7 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.906 -3.718 25225 2605 1 7 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.496 -1.338 25225 2606 1 7 . 1 1 165 165 ALA H H 165 7.901 7.901 8.065 -0.164 25225 2607 1 7 . 1 1 166 166 ALA N N 166 122.736 122.736 118.941 3.795 25225 2608 1 7 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.244 -0.012 25225 2609 1 7 . 1 1 166 166 ALA CA C 166 49.778 49.778 52.988 -3.210 25225 2610 1 7 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.455 -3.284 25225 2611 1 7 . 1 1 166 166 ALA H H 166 8.243 8.243 8.360 -0.117 25225 2612 1 7 . 1 1 167 167 HIS N N 167 114.237 114.237 118.956 -4.719 25225 2613 1 7 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.741 0.246 25225 2614 1 7 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.017 -3.869 25225 2615 1 7 . 1 1 167 167 HIS CB C 167 27.221 27.221 27.960 -0.739 25225 2616 1 7 . 1 1 167 167 HIS H H 167 7.931 7.931 7.867 0.064 25225 2617 1 7 . 1 1 168 168 LEU N N 168 123.034 123.034 125.273 -2.239 25225 2618 1 7 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.434 0.046 25225 2619 1 7 . 1 1 168 168 LEU CA C 168 52.044 52.044 55.292 -3.248 25225 2620 1 7 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.933 -1.214 25225 2621 1 7 . 1 1 168 168 LEU H H 168 8.371 8.371 8.153 0.218 25225 2622 1 7 . 1 1 169 169 ILE N N 169 121.493 121.493 125.810 -4.317 25225 2623 1 7 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.936 -0.029 25225 2624 1 7 . 1 1 169 169 ILE CA C 169 56.856 56.856 58.695 -1.839 25225 2625 1 7 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.338 0.126 25225 2626 1 7 . 1 1 169 169 ILE H H 169 8.097 8.097 8.168 -0.071 25225 2627 1 7 . 1 1 170 170 PHE N N 170 125.500 125.500 128.045 -2.545 25225 2628 1 7 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.705 0.225 25225 2629 1 7 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.849 -5.046 25225 2630 1 7 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.142 -3.369 25225 2631 1 7 . 1 1 170 170 PHE H H 170 9.246 9.246 8.175 1.071 25225 2632 1 7 . 1 1 171 171 CYS N N 171 118.630 118.630 115.061 3.569 25225 2633 1 7 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.363 -0.002 25225 2634 1 7 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.187 -6.318 25225 2635 1 7 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.992 12.379 25225 2636 1 7 . 1 1 171 171 CYS H H 171 8.577 8.577 8.214 0.363 25225 2637 1 7 . 1 1 172 172 CYS N N 172 118.255 118.255 115.650 2.605 25225 2638 1 7 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.739 -0.280 25225 2639 1 7 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.786 -5.894 25225 2640 1 7 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.363 11.768 25225 2641 1 7 . 1 1 172 172 CYS H H 172 8.679 8.679 8.502 0.177 25225 2642 1 7 . 1 1 173 173 PHE N N 173 119.428 119.428 119.082 0.346 25225 2643 1 7 . 1 1 173 173 PHE HA H 173 5.148 5.148 5.105 0.043 25225 2644 1 7 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.592 -2.349 25225 2645 1 7 . 1 1 173 173 PHE CB C 173 37.440 37.440 40.026 -2.586 25225 2646 1 7 . 1 1 173 173 PHE H H 173 8.810 8.810 8.640 0.170 25225 2647 1 7 . 1 1 174 174 ARG N N 174 119.247 119.247 120.866 -1.619 25225 2648 1 7 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.618 0.156 25225 2649 1 7 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.749 -3.613 25225 2650 1 7 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.205 -1.976 25225 2651 1 7 . 1 1 174 174 ARG H H 174 7.450 7.450 7.812 -0.362 25225 2652 1 7 . 1 1 175 175 ASP N N 175 119.844 119.844 123.457 -3.613 25225 2653 1 7 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.816 0.030 25225 2654 1 7 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.375 -2.861 25225 2655 1 7 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.431 -1.896 25225 2656 1 7 . 1 1 175 175 ASP H H 175 8.290 8.290 8.630 -0.340 25225 2657 1 7 . 1 1 176 176 LEU N N 176 114.448 114.448 118.796 -4.348 25225 2658 1 7 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.844 -0.500 25225 2659 1 7 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.182 -3.043 25225 2660 1 7 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.906 -5.020 25225 2661 1 7 . 1 1 176 176 LEU H H 176 9.298 9.298 8.798 0.500 25225 2662 1 7 . 1 1 177 177 CYS N N 177 112.101 112.101 115.520 -3.419 25225 2663 1 7 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.184 0.363 25225 2664 1 7 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.053 -6.521 25225 2665 1 7 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.040 14.542 25225 2666 1 7 . 1 1 177 177 CYS H H 177 7.834 7.834 8.119 -0.285 25225 2667 1 7 . 1 1 178 178 ASN N N 178 122.157 122.157 118.182 3.975 25225 2668 1 7 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.752 0.026 25225 2669 1 7 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.061 -2.497 25225 2670 1 7 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.137 -6.999 25225 2671 1 7 . 1 1 178 178 ASN H H 178 9.014 9.014 7.949 1.065 25225 2672 1 7 . 1 1 179 179 SER N N 179 109.444 109.444 112.950 -3.506 25225 2673 1 7 . 1 1 179 179 SER HA H 179 3.945 3.945 4.240 -0.295 25225 2674 1 7 . 1 1 179 179 SER CA C 179 55.092 55.092 58.059 -2.967 25225 2675 1 7 . 1 1 179 179 SER CB C 179 59.118 59.118 64.040 -4.922 25225 2676 1 7 . 1 1 179 179 SER H H 179 7.482 7.482 8.159 -0.677 25225 2677 1 7 . 1 1 180 180 GLU N N 180 120.035 120.035 124.749 -4.714 25225 2678 1 7 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.182 0.177 25225 2679 1 7 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.992 -4.766 25225 2680 1 7 . 1 1 180 180 GLU CB C 180 28.439 28.439 29.868 -1.429 25225 2681 1 7 . 1 1 180 180 GLU H H 180 7.936 7.936 8.658 -0.722 25225 2682 1 8 . 1 1 101 101 LEU N N 101 127.862 127.862 125.847 2.015 25225 2683 1 8 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.625 0.009 25225 2684 1 8 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.694 -2.818 25225 2685 1 8 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.481 -0.460 25225 2686 1 8 . 1 1 101 101 LEU H H 101 8.754 8.754 8.662 0.092 25225 2687 1 8 . 1 1 102 102 LYS N N 102 121.006 121.006 126.522 -5.516 25225 2688 1 8 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.067 0.194 25225 2689 1 8 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.427 -3.835 25225 2690 1 8 . 1 1 102 102 LYS CB C 102 32.019 32.019 34.850 -2.831 25225 2691 1 8 . 1 1 102 102 LYS H H 102 7.879 7.879 8.224 -0.345 25225 2692 1 8 . 1 1 103 103 CYS N N 103 117.708 117.708 121.384 -3.676 25225 2693 1 8 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.776 0.170 25225 2694 1 8 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.234 -9.236 25225 2695 1 8 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.683 8.229 25225 2696 1 8 . 1 1 103 103 CYS H H 103 8.427 8.427 8.627 -0.200 25225 2697 1 8 . 1 1 104 104 TYR N N 104 121.098 121.098 123.296 -2.198 25225 2698 1 8 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.579 0.557 25225 2699 1 8 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.254 -2.712 25225 2700 1 8 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.762 -1.979 25225 2701 1 8 . 1 1 104 104 TYR H H 104 8.442 8.442 9.035 -0.593 25225 2702 1 8 . 1 1 105 105 THR N N 105 110.634 110.634 116.316 -5.682 25225 2703 1 8 . 1 1 105 105 THR HA H 105 4.624 4.624 4.665 -0.041 25225 2704 1 8 . 1 1 105 105 THR CA C 105 57.375 57.375 60.070 -2.695 25225 2705 1 8 . 1 1 105 105 THR CB C 105 70.082 70.082 70.874 -0.792 25225 2706 1 8 . 1 1 105 105 THR H H 105 9.312 9.312 8.243 1.069 25225 2707 1 8 . 1 1 106 106 CYS N N 106 109.134 109.134 124.398 -15.264 25225 2708 1 8 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.729 0.114 25225 2709 1 8 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.654 -2.420 25225 2710 1 8 . 1 1 106 106 CYS CB C 106 43.098 43.098 28.704 14.394 25225 2711 1 8 . 1 1 106 106 CYS H H 106 8.260 8.260 8.465 -0.205 25225 2712 1 8 . 1 1 107 107 LYS N N 107 120.821 120.821 121.413 -0.592 25225 2713 1 8 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.401 -0.033 25225 2714 1 8 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.139 -2.930 25225 2715 1 8 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.018 -1.451 25225 2716 1 8 . 1 1 107 107 LYS H H 107 8.624 8.624 8.646 -0.022 25225 2717 1 8 . 1 1 108 108 GLU N N 108 118.533 118.533 119.640 -1.107 25225 2718 1 8 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.671 0.057 25225 2719 1 8 . 1 1 108 108 GLU CA C 108 49.712 49.712 54.450 -4.738 25225 2720 1 8 . 1 1 108 108 GLU CB C 108 27.002 27.002 29.894 -2.892 25225 2721 1 8 . 1 1 108 108 GLU H H 108 7.627 7.627 8.094 -0.467 25225 2722 1 8 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.405 0.152 25225 2723 1 8 . 1 1 109 109 PRO CA C 109 59.633 59.633 62.858 -3.225 25225 2724 1 8 . 1 1 109 109 PRO CB C 109 28.572 28.572 30.285 -1.713 25225 2725 1 8 . 1 1 110 110 MET N N 110 122.942 122.942 117.676 5.266 25225 2726 1 8 . 1 1 110 110 MET HA H 110 4.827 4.827 4.668 0.159 25225 2727 1 8 . 1 1 110 110 MET CA C 110 51.502 51.502 55.496 -3.994 25225 2728 1 8 . 1 1 110 110 MET CB C 110 34.636 34.636 33.615 1.021 25225 2729 1 8 . 1 1 110 110 MET H H 110 9.017 9.017 8.076 0.941 25225 2730 1 8 . 1 1 111 111 THR N N 111 110.441 110.441 113.312 -2.871 25225 2731 1 8 . 1 1 111 111 THR HA H 111 4.534 4.534 3.998 0.536 25225 2732 1 8 . 1 1 111 111 THR CA C 111 59.025 59.025 63.308 -4.283 25225 2733 1 8 . 1 1 111 111 THR H H 111 8.282 8.282 8.659 -0.377 25225 2734 1 8 . 1 1 112 112 SER N N 112 115.495 115.495 115.170 0.325 25225 2735 1 8 . 1 1 112 112 SER HA H 112 3.890 3.890 4.647 -0.757 25225 2736 1 8 . 1 1 112 112 SER CA C 112 57.930 57.930 57.065 0.865 25225 2737 1 8 . 1 1 112 112 SER CB C 112 59.493 59.493 64.128 -4.635 25225 2738 1 8 . 1 1 112 112 SER H H 112 8.739 8.739 7.852 0.887 25225 2739 1 8 . 1 1 113 113 ALA N N 113 119.080 119.080 127.412 -8.332 25225 2740 1 8 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.711 -0.696 25225 2741 1 8 . 1 1 113 113 ALA H H 113 8.374 8.374 8.509 -0.135 25225 2742 1 8 . 1 1 114 114 SER N N 114 110.843 110.843 110.945 -0.102 25225 2743 1 8 . 1 1 114 114 SER HA H 114 4.515 4.515 4.489 0.026 25225 2744 1 8 . 1 1 114 114 SER CA C 114 55.891 55.891 56.870 -0.979 25225 2745 1 8 . 1 1 114 114 SER CB C 114 61.376 61.376 63.039 -1.663 25225 2746 1 8 . 1 1 114 114 SER H H 114 7.561 7.561 7.984 -0.423 25225 2747 1 8 . 1 1 115 115 CYS N N 115 124.537 124.537 124.134 0.403 25225 2748 1 8 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.445 0.636 25225 2749 1 8 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.727 -5.500 25225 2750 1 8 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.462 16.602 25225 2751 1 8 . 1 1 115 115 CYS H H 115 7.576 7.576 8.563 -0.987 25225 2752 1 8 . 1 1 116 116 ARG N N 116 121.872 121.872 126.798 -4.926 25225 2753 1 8 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.646 -0.151 25225 2754 1 8 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.337 -3.434 25225 2755 1 8 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.817 -3.209 25225 2756 1 8 . 1 1 116 116 ARG H H 116 7.869 7.869 7.597 0.272 25225 2757 1 8 . 1 1 117 117 THR N N 117 119.541 119.541 117.201 2.340 25225 2758 1 8 . 1 1 117 117 THR HA H 117 4.311 4.311 4.628 -0.317 25225 2759 1 8 . 1 1 117 117 THR CA C 117 61.472 61.472 60.801 0.671 25225 2760 1 8 . 1 1 117 117 THR CB C 117 65.543 65.543 71.951 -6.407 25225 2761 1 8 . 1 1 117 117 THR H H 117 8.309 8.309 8.390 -0.081 25225 2762 1 8 . 1 1 118 118 ILE N N 118 129.953 129.953 126.477 3.476 25225 2763 1 8 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.697 0.227 25225 2764 1 8 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.123 -1.772 25225 2765 1 8 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.111 -2.376 25225 2766 1 8 . 1 1 118 118 ILE H H 118 8.949 8.949 8.623 0.326 25225 2767 1 8 . 1 1 119 119 THR N N 119 126.753 126.753 123.082 3.671 25225 2768 1 8 . 1 1 119 119 THR HA H 119 4.475 4.475 4.592 -0.117 25225 2769 1 8 . 1 1 119 119 THR CA C 119 58.200 58.200 60.343 -2.143 25225 2770 1 8 . 1 1 119 119 THR CB C 119 67.794 67.794 71.270 -3.476 25225 2771 1 8 . 1 1 119 119 THR H H 119 8.711 8.711 8.209 0.502 25225 2772 1 8 . 1 1 120 120 ARG N N 120 126.298 126.298 124.744 1.554 25225 2773 1 8 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.510 -0.217 25225 2774 1 8 . 1 1 120 120 ARG CA C 120 53.380 53.380 54.239 -0.859 25225 2775 1 8 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.308 -2.667 25225 2776 1 8 . 1 1 120 120 ARG H H 120 8.549 8.549 8.498 0.051 25225 2777 1 8 . 1 1 121 121 CYS N N 121 125.959 125.959 124.902 1.057 25225 2778 1 8 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.338 0.436 25225 2779 1 8 . 1 1 121 121 CYS CA C 121 48.887 48.887 59.060 -10.173 25225 2780 1 8 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.262 5.407 25225 2781 1 8 . 1 1 121 121 CYS H H 121 8.747 8.747 8.767 -0.020 25225 2782 1 8 . 1 1 122 122 LYS N N 122 119.892 119.892 122.613 -2.721 25225 2783 1 8 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.635 -0.146 25225 2784 1 8 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.613 -1.832 25225 2785 1 8 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.585 -4.127 25225 2786 1 8 . 1 1 122 122 LYS H H 122 8.576 8.576 8.437 0.139 25225 2787 1 8 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.343 -0.094 25225 2788 1 8 . 1 1 123 123 PRO CA C 123 63.009 63.009 65.031 -2.022 25225 2789 1 8 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.002 -3.314 25225 2790 1 8 . 1 1 124 124 GLU N N 124 112.877 112.877 118.132 -5.255 25225 2791 1 8 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.252 -0.030 25225 2792 1 8 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.782 -2.762 25225 2793 1 8 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.172 -3.399 25225 2794 1 8 . 1 1 124 124 GLU H H 124 8.892 8.892 8.392 0.500 25225 2795 1 8 . 1 1 125 125 ASP N N 125 120.983 120.983 120.165 0.818 25225 2796 1 8 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.659 -0.145 25225 2797 1 8 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.440 -1.278 25225 2798 1 8 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.852 -4.777 25225 2799 1 8 . 1 1 125 125 ASP H H 125 7.675 7.675 7.488 0.187 25225 2800 1 8 . 1 1 126 126 THR N N 126 110.714 110.714 109.133 1.581 25225 2801 1 8 . 1 1 126 126 THR HA H 126 4.445 4.445 4.513 -0.068 25225 2802 1 8 . 1 1 126 126 THR CA C 126 57.795 57.795 62.457 -4.662 25225 2803 1 8 . 1 1 126 126 THR CB C 126 68.080 68.080 71.340 -3.260 25225 2804 1 8 . 1 1 126 126 THR H H 126 8.139 8.139 8.644 -0.505 25225 2805 1 8 . 1 1 127 127 ALA N N 127 123.060 123.060 122.503 0.557 25225 2806 1 8 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.520 0.449 25225 2807 1 8 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.513 -1.687 25225 2808 1 8 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.427 0.584 25225 2809 1 8 . 1 1 127 127 ALA H H 127 8.408 8.408 7.603 0.805 25225 2810 1 8 . 1 1 128 128 CYS N N 128 115.816 115.816 116.540 -0.724 25225 2811 1 8 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.675 0.730 25225 2812 1 8 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.867 -9.729 25225 2813 1 8 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.385 3.343 25225 2814 1 8 . 1 1 128 128 CYS H H 128 8.764 8.764 8.563 0.201 25225 2815 1 8 . 1 1 129 129 MET N N 129 126.078 126.078 119.656 6.422 25225 2816 1 8 . 1 1 129 129 MET HA H 129 5.485 5.485 5.406 0.079 25225 2817 1 8 . 1 1 129 129 MET CA C 129 51.630 51.630 54.377 -2.747 25225 2818 1 8 . 1 1 129 129 MET CB C 129 35.308 35.308 37.735 -2.427 25225 2819 1 8 . 1 1 129 129 MET H H 129 9.366 9.366 8.850 0.516 25225 2820 1 8 . 1 1 130 130 THR N N 130 123.706 123.706 118.908 4.798 25225 2821 1 8 . 1 1 130 130 THR HA H 130 5.177 5.177 4.801 0.376 25225 2822 1 8 . 1 1 130 130 THR CA C 130 59.260 59.260 62.007 -2.747 25225 2823 1 8 . 1 1 130 130 THR CB C 130 68.549 68.549 72.008 -3.459 25225 2824 1 8 . 1 1 130 130 THR H H 130 8.903 8.903 8.997 -0.094 25225 2825 1 8 . 1 1 131 131 THR N N 131 123.644 123.644 123.853 -0.209 25225 2826 1 8 . 1 1 131 131 THR HA H 131 5.110 5.110 4.560 0.550 25225 2827 1 8 . 1 1 131 131 THR CA C 131 58.370 58.370 63.070 -4.700 25225 2828 1 8 . 1 1 131 131 THR CB C 131 66.519 66.519 69.593 -3.074 25225 2829 1 8 . 1 1 131 131 THR H H 131 9.284 9.284 8.595 0.689 25225 2830 1 8 . 1 1 132 132 LEU N N 132 128.424 128.424 129.269 -0.845 25225 2831 1 8 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.870 -0.121 25225 2832 1 8 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.328 -1.412 25225 2833 1 8 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.869 -5.135 25225 2834 1 8 . 1 1 132 132 LEU H H 132 9.132 9.132 8.637 0.495 25225 2835 1 8 . 1 1 133 133 VAL N N 133 126.950 126.950 120.708 6.242 25225 2836 1 8 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.513 -0.440 25225 2837 1 8 . 1 1 133 133 VAL CA C 133 60.262 60.262 60.932 -0.670 25225 2838 1 8 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.318 -3.730 25225 2839 1 8 . 1 1 133 133 VAL H H 133 8.781 8.781 8.512 0.269 25225 2840 1 8 . 1 1 134 134 THR N N 134 115.286 115.286 116.821 -1.535 25225 2841 1 8 . 1 1 134 134 THR HA H 134 4.473 4.473 4.268 0.205 25225 2842 1 8 . 1 1 134 134 THR CA C 134 58.340 58.340 62.842 -4.502 25225 2843 1 8 . 1 1 134 134 THR CB C 134 66.590 66.590 69.237 -2.647 25225 2844 1 8 . 1 1 134 134 THR H H 134 7.870 7.870 8.021 -0.150 25225 2845 1 8 . 1 1 135 135 VAL N N 135 121.196 121.196 121.239 -0.043 25225 2846 1 8 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.854 0.437 25225 2847 1 8 . 1 1 135 135 VAL CA C 135 58.549 58.549 63.348 -4.799 25225 2848 1 8 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.694 -1.490 25225 2849 1 8 . 1 1 135 135 VAL H H 135 8.142 8.142 8.286 -0.144 25225 2850 1 8 . 1 1 136 136 GLU N N 136 123.911 123.911 116.570 7.341 25225 2851 1 8 . 1 1 136 136 GLU HA H 136 4.322 4.322 3.976 0.346 25225 2852 1 8 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.523 -3.067 25225 2853 1 8 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.226 3.162 25225 2854 1 8 . 1 1 136 136 GLU H H 136 8.424 8.424 8.675 -0.251 25225 2855 1 8 . 1 1 137 137 ALA N N 137 124.105 124.105 120.863 3.242 25225 2856 1 8 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.485 -0.197 25225 2857 1 8 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.807 -2.100 25225 2858 1 8 . 1 1 137 137 ALA CB C 137 16.293 16.293 20.348 -4.054 25225 2859 1 8 . 1 1 137 137 ALA H H 137 8.292 8.292 7.622 0.670 25225 2860 1 8 . 1 1 138 138 GLU N N 138 117.459 117.459 121.844 -4.385 25225 2861 1 8 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.473 -0.211 25225 2862 1 8 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.699 -2.096 25225 2863 1 8 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.383 -2.527 25225 2864 1 8 . 1 1 138 138 GLU H H 138 8.137 8.137 8.884 -0.747 25225 2865 1 8 . 1 1 139 139 TYR N N 139 119.908 119.908 119.576 0.332 25225 2866 1 8 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.832 -0.036 25225 2867 1 8 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.129 -2.445 25225 2868 1 8 . 1 1 139 139 TYR CB C 139 35.389 35.389 39.741 -4.352 25225 2869 1 8 . 1 1 139 139 TYR H H 139 7.916 7.916 7.754 0.162 25225 2870 1 8 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.388 -0.048 25225 2871 1 8 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.886 -3.217 25225 2872 1 8 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.301 -3.789 25225 2873 1 8 . 1 1 141 141 PHE N N 141 117.257 117.257 120.079 -2.822 25225 2874 1 8 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.372 0.231 25225 2875 1 8 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.967 -5.400 25225 2876 1 8 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.438 -3.762 25225 2877 1 8 . 1 1 141 141 PHE H H 141 7.755 7.755 7.946 -0.191 25225 2878 1 8 . 1 1 142 142 ASN N N 142 118.560 118.560 118.116 0.444 25225 2879 1 8 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.962 -0.307 25225 2880 1 8 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.864 -2.554 25225 2881 1 8 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.019 -3.663 25225 2882 1 8 . 1 1 142 142 ASN H H 142 8.101 8.101 8.461 -0.360 25225 2883 1 8 . 1 1 143 143 GLN N N 143 119.234 119.234 121.265 -2.031 25225 2884 1 8 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.715 -0.336 25225 2885 1 8 . 1 1 143 143 GLN CA C 143 52.922 52.922 55.527 -2.605 25225 2886 1 8 . 1 1 143 143 GLN CB C 143 26.499 26.499 30.783 -4.284 25225 2887 1 8 . 1 1 143 143 GLN H H 143 8.222 8.222 8.379 -0.157 25225 2888 1 8 . 1 1 144 144 SER N N 144 117.221 117.221 116.707 0.514 25225 2889 1 8 . 1 1 144 144 SER HA H 144 4.830 4.830 4.617 0.213 25225 2890 1 8 . 1 1 144 144 SER CA C 144 53.218 53.218 57.036 -3.818 25225 2891 1 8 . 1 1 144 144 SER CB C 144 60.633 60.633 63.954 -3.321 25225 2892 1 8 . 1 1 144 144 SER H H 144 8.248 8.248 8.545 -0.297 25225 2893 1 8 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.538 0.036 25225 2894 1 8 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.986 -2.946 25225 2895 1 8 . 1 1 145 145 PRO CB C 145 29.313 29.313 31.696 -2.383 25225 2896 1 8 . 1 1 146 146 VAL N N 146 120.628 120.628 124.391 -3.763 25225 2897 1 8 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.543 -0.239 25225 2898 1 8 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.615 -2.275 25225 2899 1 8 . 1 1 146 146 VAL CB C 146 30.060 30.060 35.200 -5.140 25225 2900 1 8 . 1 1 146 146 VAL H H 146 8.330 8.330 7.943 0.387 25225 2901 1 8 . 1 1 147 147 VAL N N 147 116.972 116.972 118.832 -1.860 25225 2902 1 8 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.704 1.000 25225 2903 1 8 . 1 1 147 147 VAL H H 147 9.040 9.040 8.396 0.644 25225 2904 1 8 . 1 1 148 148 THR N N 148 107.103 107.103 111.284 -4.181 25225 2905 1 8 . 1 1 148 148 THR HA H 148 4.906 4.906 4.594 0.312 25225 2906 1 8 . 1 1 148 148 THR CA C 148 58.020 58.020 61.722 -3.702 25225 2907 1 8 . 1 1 148 148 THR CB C 148 67.765 67.765 70.678 -2.913 25225 2908 1 8 . 1 1 148 148 THR H H 148 8.442 8.442 8.198 0.244 25225 2909 1 8 . 1 1 149 149 ARG N N 149 120.370 120.370 128.859 -8.489 25225 2910 1 8 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.741 0.890 25225 2911 1 8 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.908 -3.929 25225 2912 1 8 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.084 1.177 25225 2913 1 8 . 1 1 149 149 ARG H H 149 7.623 7.623 8.564 -0.941 25225 2914 1 8 . 1 1 150 150 SER N N 150 113.789 113.789 118.899 -5.110 25225 2915 1 8 . 1 1 150 150 SER HA H 150 4.790 4.790 4.756 0.034 25225 2916 1 8 . 1 1 150 150 SER CA C 150 54.647 54.647 56.631 -1.984 25225 2917 1 8 . 1 1 150 150 SER CB C 150 63.412 63.412 66.833 -3.421 25225 2918 1 8 . 1 1 150 150 SER H H 150 8.709 8.709 8.109 0.600 25225 2919 1 8 . 1 1 151 151 CYS N N 151 120.824 120.824 120.837 -0.013 25225 2920 1 8 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.404 0.737 25225 2921 1 8 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.072 -3.977 25225 2922 1 8 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.280 14.741 25225 2923 1 8 . 1 1 151 151 CYS H H 151 8.473 8.473 8.619 -0.146 25225 2924 1 8 . 1 1 152 152 SER N N 152 115.253 115.253 115.814 -0.561 25225 2925 1 8 . 1 1 152 152 SER HA H 152 4.834 4.834 4.733 0.101 25225 2926 1 8 . 1 1 152 152 SER CA C 152 54.771 54.771 56.802 -2.031 25225 2927 1 8 . 1 1 152 152 SER CB C 152 62.761 62.761 65.262 -2.501 25225 2928 1 8 . 1 1 152 152 SER H H 152 9.052 9.052 8.837 0.215 25225 2929 1 8 . 1 1 153 153 SER N N 153 120.787 120.787 116.003 4.784 25225 2930 1 8 . 1 1 153 153 SER HA H 153 4.930 4.930 4.992 -0.062 25225 2931 1 8 . 1 1 153 153 SER CA C 153 55.479 55.479 57.393 -1.914 25225 2932 1 8 . 1 1 153 153 SER CB C 153 61.137 61.137 63.892 -2.755 25225 2933 1 8 . 1 1 153 153 SER H H 153 8.783 8.783 8.767 0.016 25225 2934 1 8 . 1 1 154 154 SER N N 154 117.808 117.808 115.903 1.905 25225 2935 1 8 . 1 1 154 154 SER HA H 154 4.555 4.555 4.718 -0.163 25225 2936 1 8 . 1 1 154 154 SER CA C 154 54.084 54.084 58.364 -4.280 25225 2937 1 8 . 1 1 154 154 SER CB C 154 60.141 60.141 63.552 -3.411 25225 2938 1 8 . 1 1 154 154 SER H H 154 8.300 8.300 7.603 0.697 25225 2939 1 8 . 1 1 155 155 CYS N N 155 125.978 125.978 126.729 -0.751 25225 2940 1 8 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.413 -0.041 25225 2941 1 8 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.487 -3.849 25225 2942 1 8 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.209 12.091 25225 2943 1 8 . 1 1 155 155 CYS H H 155 8.668 8.668 8.808 -0.140 25225 2944 1 8 . 1 1 156 156 VAL N N 156 129.527 129.527 126.273 3.254 25225 2945 1 8 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.461 -0.296 25225 2946 1 8 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.589 -1.646 25225 2947 1 8 . 1 1 156 156 VAL CB C 156 30.381 30.381 33.361 -2.980 25225 2948 1 8 . 1 1 156 156 VAL H H 156 8.239 8.239 7.928 0.311 25225 2949 1 8 . 1 1 157 157 ALA N N 157 130.280 130.280 130.301 -0.021 25225 2950 1 8 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.436 -0.294 25225 2951 1 8 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.368 -3.321 25225 2952 1 8 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.836 -2.269 25225 2953 1 8 . 1 1 157 157 ALA H H 157 8.414 8.414 8.424 -0.010 25225 2954 1 8 . 1 1 158 158 THR N N 158 115.127 115.127 115.430 -0.303 25225 2955 1 8 . 1 1 158 158 THR HA H 158 4.214 4.214 4.369 -0.155 25225 2956 1 8 . 1 1 158 158 THR CA C 158 59.207 59.207 60.904 -1.697 25225 2957 1 8 . 1 1 158 158 THR CB C 158 66.814 66.814 70.951 -4.137 25225 2958 1 8 . 1 1 158 158 THR H H 158 8.219 8.219 8.007 0.212 25225 2959 1 8 . 1 1 159 159 ASP N N 159 125.274 125.274 123.129 2.145 25225 2960 1 8 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.953 -0.095 25225 2961 1 8 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.353 -2.038 25225 2962 1 8 . 1 1 159 159 ASP CB C 159 38.260 38.260 40.384 -2.124 25225 2963 1 8 . 1 1 159 159 ASP H H 159 8.548 8.548 8.285 0.263 25225 2964 1 8 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.339 0.041 25225 2965 1 8 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.859 -2.541 25225 2966 1 8 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.187 -3.185 25225 2967 1 8 . 1 1 161 161 ASP N N 161 116.981 116.981 119.290 -2.309 25225 2968 1 8 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.605 0.104 25225 2969 1 8 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.633 -3.250 25225 2970 1 8 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.862 -3.253 25225 2971 1 8 . 1 1 161 161 ASP H H 161 8.402 8.402 8.483 -0.081 25225 2972 1 8 . 1 1 162 162 SER N N 162 115.678 115.678 111.326 4.352 25225 2973 1 8 . 1 1 162 162 SER HA H 162 4.477 4.477 4.012 0.465 25225 2974 1 8 . 1 1 162 162 SER CA C 162 55.371 55.371 58.356 -2.985 25225 2975 1 8 . 1 1 162 162 SER CB C 162 60.763 60.763 62.765 -2.002 25225 2976 1 8 . 1 1 162 162 SER H H 162 7.865 7.865 8.203 -0.338 25225 2977 1 8 . 1 1 163 163 ILE N N 163 122.425 122.425 118.071 4.354 25225 2978 1 8 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.166 0.024 25225 2979 1 8 . 1 1 163 163 ILE CA C 163 58.539 58.539 61.914 -3.375 25225 2980 1 8 . 1 1 163 163 ILE CB C 163 35.563 35.563 37.637 -2.074 25225 2981 1 8 . 1 1 163 163 ILE H H 163 8.098 8.098 7.831 0.267 25225 2982 1 8 . 1 1 164 164 GLY N N 164 112.830 112.830 108.807 4.023 25225 2983 1 8 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.112 -1.770 25225 2984 1 8 . 1 1 164 164 GLY H H 164 8.564 8.564 7.955 0.609 25225 2985 1 8 . 1 1 165 165 ALA N N 165 123.606 123.606 121.386 2.220 25225 2986 1 8 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.167 0.151 25225 2987 1 8 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.817 -3.629 25225 2988 1 8 . 1 1 165 165 ALA CB C 165 16.158 16.158 18.039 -1.881 25225 2989 1 8 . 1 1 165 165 ALA H H 165 7.901 7.901 7.968 -0.067 25225 2990 1 8 . 1 1 166 166 ALA N N 166 122.736 122.736 118.890 3.846 25225 2991 1 8 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.404 -0.172 25225 2992 1 8 . 1 1 166 166 ALA CA C 166 49.778 49.778 52.017 -2.240 25225 2993 1 8 . 1 1 166 166 ALA CB C 166 16.171 16.171 17.996 -1.825 25225 2994 1 8 . 1 1 166 166 ALA H H 166 8.243 8.243 8.072 0.171 25225 2995 1 8 . 1 1 167 167 HIS N N 167 114.237 114.237 118.891 -4.654 25225 2996 1 8 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.503 0.484 25225 2997 1 8 . 1 1 167 167 HIS CA C 167 51.148 51.148 58.501 -7.353 25225 2998 1 8 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.521 -3.300 25225 2999 1 8 . 1 1 167 167 HIS H H 167 7.931 7.931 7.542 0.389 25225 3000 1 8 . 1 1 168 168 LEU N N 168 123.034 123.034 120.960 2.074 25225 3001 1 8 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.349 0.131 25225 3002 1 8 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.208 -2.163 25225 3003 1 8 . 1 1 168 168 LEU CB C 168 40.719 40.719 40.246 0.473 25225 3004 1 8 . 1 1 168 168 LEU H H 168 8.371 8.371 7.812 0.559 25225 3005 1 8 . 1 1 169 169 ILE N N 169 121.493 121.493 124.939 -3.446 25225 3006 1 8 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.675 0.232 25225 3007 1 8 . 1 1 169 169 ILE CA C 169 56.856 56.856 59.020 -2.164 25225 3008 1 8 . 1 1 169 169 ILE CB C 169 37.464 37.464 36.148 1.317 25225 3009 1 8 . 1 1 169 169 ILE H H 169 8.097 8.097 7.614 0.483 25225 3010 1 8 . 1 1 170 170 PHE N N 170 125.500 125.500 127.449 -1.949 25225 3011 1 8 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.643 0.287 25225 3012 1 8 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.152 -5.349 25225 3013 1 8 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.455 -2.682 25225 3014 1 8 . 1 1 170 170 PHE H H 170 9.246 9.246 8.287 0.959 25225 3015 1 8 . 1 1 171 171 CYS N N 171 118.630 118.630 115.230 3.400 25225 3016 1 8 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.415 -0.054 25225 3017 1 8 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.194 -6.325 25225 3018 1 8 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.141 12.230 25225 3019 1 8 . 1 1 171 171 CYS H H 171 8.577 8.577 8.342 0.235 25225 3020 1 8 . 1 1 172 172 CYS N N 172 118.255 118.255 116.067 2.188 25225 3021 1 8 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.778 -0.319 25225 3022 1 8 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.673 -5.781 25225 3023 1 8 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.540 11.591 25225 3024 1 8 . 1 1 172 172 CYS H H 172 8.679 8.679 8.532 0.147 25225 3025 1 8 . 1 1 173 173 PHE N N 173 119.428 119.428 118.922 0.506 25225 3026 1 8 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.872 0.276 25225 3027 1 8 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.747 -2.504 25225 3028 1 8 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.905 -2.465 25225 3029 1 8 . 1 1 173 173 PHE H H 173 8.810 8.810 8.700 0.110 25225 3030 1 8 . 1 1 174 174 ARG N N 174 119.247 119.247 121.015 -1.768 25225 3031 1 8 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.626 0.148 25225 3032 1 8 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.647 -3.511 25225 3033 1 8 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.167 -1.938 25225 3034 1 8 . 1 1 174 174 ARG H H 174 7.450 7.450 7.811 -0.361 25225 3035 1 8 . 1 1 175 175 ASP N N 175 119.844 119.844 123.728 -3.884 25225 3036 1 8 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.772 0.074 25225 3037 1 8 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.237 -2.723 25225 3038 1 8 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.425 -1.890 25225 3039 1 8 . 1 1 175 175 ASP H H 175 8.290 8.290 8.634 -0.344 25225 3040 1 8 . 1 1 176 176 LEU N N 176 114.448 114.448 118.885 -4.437 25225 3041 1 8 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.796 -0.452 25225 3042 1 8 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.187 -3.048 25225 3043 1 8 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.107 -5.221 25225 3044 1 8 . 1 1 176 176 LEU H H 176 9.298 9.298 8.897 0.401 25225 3045 1 8 . 1 1 177 177 CYS N N 177 112.101 112.101 115.915 -3.814 25225 3046 1 8 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.224 0.323 25225 3047 1 8 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.353 -6.821 25225 3048 1 8 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.130 14.453 25225 3049 1 8 . 1 1 177 177 CYS H H 177 7.834 7.834 8.148 -0.314 25225 3050 1 8 . 1 1 178 178 ASN N N 178 122.157 122.157 115.915 6.242 25225 3051 1 8 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.678 0.100 25225 3052 1 8 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.924 -3.360 25225 3053 1 8 . 1 1 178 178 ASN CB C 178 33.138 33.138 39.663 -6.525 25225 3054 1 8 . 1 1 178 178 ASN H H 178 9.014 9.014 7.702 1.312 25225 3055 1 8 . 1 1 179 179 SER N N 179 109.444 109.444 115.340 -5.896 25225 3056 1 8 . 1 1 179 179 SER HA H 179 3.945 3.945 4.024 -0.079 25225 3057 1 8 . 1 1 179 179 SER CA C 179 55.092 55.092 57.478 -2.386 25225 3058 1 8 . 1 1 179 179 SER CB C 179 59.118 59.118 63.131 -4.013 25225 3059 1 8 . 1 1 179 179 SER H H 179 7.482 7.482 8.404 -0.922 25225 3060 1 8 . 1 1 180 180 GLU N N 180 120.035 120.035 120.673 -0.638 25225 3061 1 8 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.220 0.139 25225 3062 1 8 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.811 -4.585 25225 3063 1 8 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.473 -2.034 25225 3064 1 8 . 1 1 180 180 GLU H H 180 7.936 7.936 7.896 0.040 25225 3065 1 9 . 1 1 101 101 LEU N N 101 127.862 127.862 126.223 1.639 25225 3066 1 9 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.629 0.005 25225 3067 1 9 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.835 -2.959 25225 3068 1 9 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.525 -0.504 25225 3069 1 9 . 1 1 101 101 LEU H H 101 8.754 8.754 8.642 0.112 25225 3070 1 9 . 1 1 102 102 LYS N N 102 121.006 121.006 126.076 -5.070 25225 3071 1 9 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.112 0.149 25225 3072 1 9 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.340 -3.748 25225 3073 1 9 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.681 -3.662 25225 3074 1 9 . 1 1 102 102 LYS H H 102 7.879 7.879 8.167 -0.288 25225 3075 1 9 . 1 1 103 103 CYS N N 103 117.708 117.708 120.961 -3.253 25225 3076 1 9 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.782 0.164 25225 3077 1 9 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.228 -9.230 25225 3078 1 9 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.459 7.453 25225 3079 1 9 . 1 1 103 103 CYS H H 103 8.427 8.427 8.524 -0.097 25225 3080 1 9 . 1 1 104 104 TYR N N 104 121.098 121.098 123.038 -1.940 25225 3081 1 9 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.565 0.571 25225 3082 1 9 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.454 -2.912 25225 3083 1 9 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.479 -1.696 25225 3084 1 9 . 1 1 104 104 TYR H H 104 8.442 8.442 8.732 -0.290 25225 3085 1 9 . 1 1 105 105 THR N N 105 110.634 110.634 113.983 -3.349 25225 3086 1 9 . 1 1 105 105 THR HA H 105 4.624 4.624 4.684 -0.060 25225 3087 1 9 . 1 1 105 105 THR CA C 105 57.375 57.375 60.490 -3.115 25225 3088 1 9 . 1 1 105 105 THR CB C 105 70.082 70.082 70.744 -0.662 25225 3089 1 9 . 1 1 105 105 THR H H 105 9.312 9.312 7.972 1.340 25225 3090 1 9 . 1 1 106 106 CYS N N 106 109.134 109.134 124.621 -15.487 25225 3091 1 9 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.625 0.217 25225 3092 1 9 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.300 -3.066 25225 3093 1 9 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.336 13.762 25225 3094 1 9 . 1 1 106 106 CYS H H 106 8.260 8.260 8.243 0.017 25225 3095 1 9 . 1 1 107 107 LYS N N 107 120.821 120.821 121.246 -0.425 25225 3096 1 9 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.291 0.077 25225 3097 1 9 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.717 -3.508 25225 3098 1 9 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.720 -2.153 25225 3099 1 9 . 1 1 107 107 LYS H H 107 8.624 8.624 8.604 0.020 25225 3100 1 9 . 1 1 108 108 GLU N N 108 118.533 118.533 118.904 -0.371 25225 3101 1 9 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.687 0.041 25225 3102 1 9 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.825 -4.113 25225 3103 1 9 . 1 1 108 108 GLU CB C 108 27.002 27.002 30.693 -3.691 25225 3104 1 9 . 1 1 108 108 GLU H H 108 7.627 7.627 7.997 -0.370 25225 3105 1 9 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.366 0.191 25225 3106 1 9 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.258 -3.624 25225 3107 1 9 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.366 -3.794 25225 3108 1 9 . 1 1 110 110 MET N N 110 122.942 122.942 123.532 -0.590 25225 3109 1 9 . 1 1 110 110 MET HA H 110 4.827 4.827 4.657 0.170 25225 3110 1 9 . 1 1 110 110 MET CA C 110 51.502 51.502 55.325 -3.823 25225 3111 1 9 . 1 1 110 110 MET CB C 110 34.636 34.636 35.918 -1.282 25225 3112 1 9 . 1 1 110 110 MET H H 110 9.017 9.017 8.342 0.675 25225 3113 1 9 . 1 1 111 111 THR N N 111 110.441 110.441 116.136 -5.695 25225 3114 1 9 . 1 1 111 111 THR HA H 111 4.534 4.534 4.528 0.006 25225 3115 1 9 . 1 1 111 111 THR CA C 111 59.025 59.025 64.403 -5.378 25225 3116 1 9 . 1 1 111 111 THR H H 111 8.282 8.282 8.377 -0.095 25225 3117 1 9 . 1 1 112 112 SER N N 112 115.495 115.495 117.591 -2.096 25225 3118 1 9 . 1 1 112 112 SER HA H 112 3.890 3.890 4.235 -0.345 25225 3119 1 9 . 1 1 112 112 SER CA C 112 57.930 57.930 59.729 -1.799 25225 3120 1 9 . 1 1 112 112 SER CB C 112 59.493 59.493 63.015 -3.522 25225 3121 1 9 . 1 1 112 112 SER H H 112 8.739 8.739 8.034 0.705 25225 3122 1 9 . 1 1 113 113 ALA N N 113 119.080 119.080 125.303 -6.223 25225 3123 1 9 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.280 -0.265 25225 3124 1 9 . 1 1 113 113 ALA H H 113 8.374 8.374 7.795 0.579 25225 3125 1 9 . 1 1 114 114 SER N N 114 110.843 110.843 120.394 -9.551 25225 3126 1 9 . 1 1 114 114 SER HA H 114 4.515 4.515 4.174 0.341 25225 3127 1 9 . 1 1 114 114 SER CA C 114 55.891 55.891 58.650 -2.759 25225 3128 1 9 . 1 1 114 114 SER CB C 114 61.376 61.376 63.683 -2.307 25225 3129 1 9 . 1 1 114 114 SER H H 114 7.561 7.561 8.316 -0.755 25225 3130 1 9 . 1 1 115 115 CYS N N 115 124.537 124.537 128.872 -4.335 25225 3131 1 9 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.406 0.675 25225 3132 1 9 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.037 -5.810 25225 3133 1 9 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.310 16.754 25225 3134 1 9 . 1 1 115 115 CYS H H 115 7.576 7.576 8.981 -1.405 25225 3135 1 9 . 1 1 116 116 ARG N N 116 121.872 121.872 127.189 -5.317 25225 3136 1 9 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.566 -0.071 25225 3137 1 9 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.519 -3.616 25225 3138 1 9 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.993 -3.385 25225 3139 1 9 . 1 1 116 116 ARG H H 116 7.869 7.869 8.092 -0.223 25225 3140 1 9 . 1 1 117 117 THR N N 117 119.541 119.541 117.530 2.011 25225 3141 1 9 . 1 1 117 117 THR HA H 117 4.311 4.311 4.655 -0.344 25225 3142 1 9 . 1 1 117 117 THR CA C 117 61.472 61.472 61.526 -0.054 25225 3143 1 9 . 1 1 117 117 THR CB C 117 65.543 65.543 71.950 -6.407 25225 3144 1 9 . 1 1 117 117 THR H H 117 8.309 8.309 8.384 -0.075 25225 3145 1 9 . 1 1 118 118 ILE N N 118 129.953 129.953 125.849 4.104 25225 3146 1 9 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.741 0.183 25225 3147 1 9 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.174 -1.823 25225 3148 1 9 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.527 -2.792 25225 3149 1 9 . 1 1 118 118 ILE H H 118 8.949 8.949 8.549 0.400 25225 3150 1 9 . 1 1 119 119 THR N N 119 126.753 126.753 123.741 3.012 25225 3151 1 9 . 1 1 119 119 THR HA H 119 4.475 4.475 4.637 -0.162 25225 3152 1 9 . 1 1 119 119 THR CA C 119 58.200 58.200 60.761 -2.561 25225 3153 1 9 . 1 1 119 119 THR CB C 119 67.794 67.794 72.075 -4.281 25225 3154 1 9 . 1 1 119 119 THR H H 119 8.711 8.711 8.287 0.424 25225 3155 1 9 . 1 1 120 120 ARG N N 120 126.298 126.298 124.403 1.895 25225 3156 1 9 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.471 -0.178 25225 3157 1 9 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.772 -2.392 25225 3158 1 9 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.149 -3.509 25225 3159 1 9 . 1 1 120 120 ARG H H 120 8.549 8.549 8.442 0.107 25225 3160 1 9 . 1 1 121 121 CYS N N 121 125.959 125.959 124.599 1.360 25225 3161 1 9 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.352 0.422 25225 3162 1 9 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.973 -10.086 25225 3163 1 9 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.093 5.576 25225 3164 1 9 . 1 1 121 121 CYS H H 121 8.747 8.747 8.662 0.085 25225 3165 1 9 . 1 1 122 122 LYS N N 122 119.892 119.892 121.656 -1.764 25225 3166 1 9 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.496 -0.007 25225 3167 1 9 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.592 -1.811 25225 3168 1 9 . 1 1 122 122 LYS CB C 122 27.458 27.458 32.305 -4.847 25225 3169 1 9 . 1 1 122 122 LYS H H 122 8.576 8.576 8.435 0.141 25225 3170 1 9 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.373 -0.124 25225 3171 1 9 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.680 -1.671 25225 3172 1 9 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.029 -3.341 25225 3173 1 9 . 1 1 124 124 GLU N N 124 112.877 112.877 117.687 -4.810 25225 3174 1 9 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.200 0.022 25225 3175 1 9 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.962 -2.942 25225 3176 1 9 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.174 -3.401 25225 3177 1 9 . 1 1 124 124 GLU H H 124 8.892 8.892 8.445 0.447 25225 3178 1 9 . 1 1 125 125 ASP N N 125 120.983 120.983 120.566 0.417 25225 3179 1 9 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.781 -0.267 25225 3180 1 9 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.756 -1.594 25225 3181 1 9 . 1 1 125 125 ASP CB C 125 37.075 37.075 42.244 -5.169 25225 3182 1 9 . 1 1 125 125 ASP H H 125 7.675 7.675 7.430 0.245 25225 3183 1 9 . 1 1 126 126 THR N N 126 110.714 110.714 111.904 -1.190 25225 3184 1 9 . 1 1 126 126 THR HA H 126 4.445 4.445 4.495 -0.050 25225 3185 1 9 . 1 1 126 126 THR CA C 126 57.795 57.795 61.743 -3.948 25225 3186 1 9 . 1 1 126 126 THR CB C 126 68.080 68.080 70.896 -2.816 25225 3187 1 9 . 1 1 126 126 THR H H 126 8.139 8.139 8.005 0.134 25225 3188 1 9 . 1 1 127 127 ALA N N 127 123.060 123.060 123.338 -0.278 25225 3189 1 9 . 1 1 127 127 ALA HA H 127 4.969 4.969 5.033 -0.064 25225 3190 1 9 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.092 -2.266 25225 3191 1 9 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.544 -0.533 25225 3192 1 9 . 1 1 127 127 ALA H H 127 8.408 8.408 7.928 0.480 25225 3193 1 9 . 1 1 128 128 CYS N N 128 115.816 115.816 117.190 -1.374 25225 3194 1 9 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.695 0.710 25225 3195 1 9 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.934 -9.796 25225 3196 1 9 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.334 3.394 25225 3197 1 9 . 1 1 128 128 CYS H H 128 8.764 8.764 8.664 0.100 25225 3198 1 9 . 1 1 129 129 MET N N 129 126.078 126.078 119.301 6.777 25225 3199 1 9 . 1 1 129 129 MET HA H 129 5.485 5.485 5.384 0.101 25225 3200 1 9 . 1 1 129 129 MET CA C 129 51.630 51.630 54.484 -2.854 25225 3201 1 9 . 1 1 129 129 MET CB C 129 35.308 35.308 37.800 -2.492 25225 3202 1 9 . 1 1 129 129 MET H H 129 9.366 9.366 8.844 0.522 25225 3203 1 9 . 1 1 130 130 THR N N 130 123.706 123.706 119.774 3.932 25225 3204 1 9 . 1 1 130 130 THR HA H 130 5.177 5.177 4.770 0.407 25225 3205 1 9 . 1 1 130 130 THR CA C 130 59.260 59.260 61.850 -2.590 25225 3206 1 9 . 1 1 130 130 THR CB C 130 68.549 68.549 71.837 -3.288 25225 3207 1 9 . 1 1 130 130 THR H H 130 8.903 8.903 8.945 -0.042 25225 3208 1 9 . 1 1 131 131 THR N N 131 123.644 123.644 124.050 -0.406 25225 3209 1 9 . 1 1 131 131 THR HA H 131 5.110 5.110 4.699 0.411 25225 3210 1 9 . 1 1 131 131 THR CA C 131 58.370 58.370 62.482 -4.112 25225 3211 1 9 . 1 1 131 131 THR CB C 131 66.519 66.519 68.808 -2.289 25225 3212 1 9 . 1 1 131 131 THR H H 131 9.284 9.284 8.474 0.810 25225 3213 1 9 . 1 1 132 132 LEU N N 132 128.424 128.424 126.725 1.699 25225 3214 1 9 . 1 1 132 132 LEU HA H 132 4.749 4.749 5.021 -0.272 25225 3215 1 9 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.565 -1.649 25225 3216 1 9 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.607 -4.873 25225 3217 1 9 . 1 1 132 132 LEU H H 132 9.132 9.132 8.417 0.715 25225 3218 1 9 . 1 1 133 133 VAL N N 133 126.950 126.950 119.479 7.471 25225 3219 1 9 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.487 -0.414 25225 3220 1 9 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.863 -1.601 25225 3221 1 9 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.090 -3.502 25225 3222 1 9 . 1 1 133 133 VAL H H 133 8.781 8.781 8.381 0.400 25225 3223 1 9 . 1 1 134 134 THR N N 134 115.286 115.286 119.128 -3.842 25225 3224 1 9 . 1 1 134 134 THR HA H 134 4.473 4.473 4.577 -0.104 25225 3225 1 9 . 1 1 134 134 THR CA C 134 58.340 58.340 60.572 -2.232 25225 3226 1 9 . 1 1 134 134 THR CB C 134 66.590 66.590 71.088 -4.498 25225 3227 1 9 . 1 1 134 134 THR H H 134 7.870 7.870 8.002 -0.132 25225 3228 1 9 . 1 1 135 135 VAL N N 135 121.196 121.196 121.996 -0.800 25225 3229 1 9 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.219 0.072 25225 3230 1 9 . 1 1 135 135 VAL CA C 135 58.549 58.549 61.105 -2.557 25225 3231 1 9 . 1 1 135 135 VAL CB C 135 30.204 30.204 34.415 -4.211 25225 3232 1 9 . 1 1 135 135 VAL H H 135 8.142 8.142 8.207 -0.065 25225 3233 1 9 . 1 1 136 136 GLU N N 136 123.911 123.911 123.309 0.602 25225 3234 1 9 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.106 0.216 25225 3235 1 9 . 1 1 136 136 GLU CA C 136 53.456 53.456 58.015 -4.559 25225 3236 1 9 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.813 2.575 25225 3237 1 9 . 1 1 136 136 GLU H H 136 8.424 8.424 8.723 -0.299 25225 3238 1 9 . 1 1 137 137 ALA N N 137 124.105 124.105 121.511 2.594 25225 3239 1 9 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.474 -0.186 25225 3240 1 9 . 1 1 137 137 ALA CA C 137 49.707 49.707 52.026 -2.319 25225 3241 1 9 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.310 -3.017 25225 3242 1 9 . 1 1 137 137 ALA H H 137 8.292 8.292 7.838 0.454 25225 3243 1 9 . 1 1 138 138 GLU N N 138 117.459 117.459 123.182 -5.723 25225 3244 1 9 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.536 -0.274 25225 3245 1 9 . 1 1 138 138 GLU CA C 138 53.603 53.603 56.570 -2.967 25225 3246 1 9 . 1 1 138 138 GLU CB C 138 26.856 26.856 32.656 -5.800 25225 3247 1 9 . 1 1 138 138 GLU H H 138 8.137 8.137 8.491 -0.354 25225 3248 1 9 . 1 1 139 139 TYR N N 139 119.908 119.908 121.786 -1.878 25225 3249 1 9 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.758 0.038 25225 3250 1 9 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.652 -2.968 25225 3251 1 9 . 1 1 139 139 TYR CB C 139 35.389 35.389 40.572 -5.183 25225 3252 1 9 . 1 1 139 139 TYR H H 139 7.916 7.916 8.372 -0.456 25225 3253 1 9 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.409 -0.069 25225 3254 1 9 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.751 -2.082 25225 3255 1 9 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.944 -2.432 25225 3256 1 9 . 1 1 141 141 PHE N N 141 117.257 117.257 124.395 -7.138 25225 3257 1 9 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.584 0.019 25225 3258 1 9 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.998 -5.431 25225 3259 1 9 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.295 -3.619 25225 3260 1 9 . 1 1 141 141 PHE H H 141 7.755 7.755 8.353 -0.598 25225 3261 1 9 . 1 1 142 142 ASN N N 142 118.560 118.560 116.987 1.573 25225 3262 1 9 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.810 -0.155 25225 3263 1 9 . 1 1 142 142 ASN CA C 142 50.310 50.310 54.388 -4.078 25225 3264 1 9 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.108 -3.753 25225 3265 1 9 . 1 1 142 142 ASN H H 142 8.101 8.101 8.603 -0.502 25225 3266 1 9 . 1 1 143 143 GLN N N 143 119.234 119.234 117.395 1.839 25225 3267 1 9 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.669 -0.290 25225 3268 1 9 . 1 1 143 143 GLN CA C 143 52.922 52.922 54.974 -2.052 25225 3269 1 9 . 1 1 143 143 GLN CB C 143 26.499 26.499 31.504 -5.005 25225 3270 1 9 . 1 1 143 143 GLN H H 143 8.222 8.222 8.194 0.028 25225 3271 1 9 . 1 1 144 144 SER N N 144 117.221 117.221 115.647 1.574 25225 3272 1 9 . 1 1 144 144 SER HA H 144 4.830 4.830 5.026 -0.196 25225 3273 1 9 . 1 1 144 144 SER CA C 144 53.218 53.218 56.273 -3.055 25225 3274 1 9 . 1 1 144 144 SER CB C 144 60.633 60.633 64.502 -3.869 25225 3275 1 9 . 1 1 144 144 SER H H 144 8.248 8.248 8.159 0.089 25225 3276 1 9 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.647 -0.073 25225 3277 1 9 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.623 -2.583 25225 3278 1 9 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.046 -2.733 25225 3279 1 9 . 1 1 146 146 VAL N N 146 120.628 120.628 113.953 6.675 25225 3280 1 9 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.423 -0.119 25225 3281 1 9 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.756 -2.416 25225 3282 1 9 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.663 -4.603 25225 3283 1 9 . 1 1 146 146 VAL H H 146 8.330 8.330 7.969 0.361 25225 3284 1 9 . 1 1 147 147 VAL N N 147 116.972 116.972 115.935 1.037 25225 3285 1 9 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.820 0.884 25225 3286 1 9 . 1 1 147 147 VAL H H 147 9.040 9.040 8.394 0.646 25225 3287 1 9 . 1 1 148 148 THR N N 148 107.103 107.103 110.850 -3.747 25225 3288 1 9 . 1 1 148 148 THR HA H 148 4.906 4.906 4.603 0.303 25225 3289 1 9 . 1 1 148 148 THR CA C 148 58.020 58.020 61.718 -3.698 25225 3290 1 9 . 1 1 148 148 THR CB C 148 67.765 67.765 70.527 -2.762 25225 3291 1 9 . 1 1 148 148 THR H H 148 8.442 8.442 7.996 0.446 25225 3292 1 9 . 1 1 149 149 ARG N N 149 120.370 120.370 127.875 -7.505 25225 3293 1 9 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.805 0.826 25225 3294 1 9 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.486 -3.507 25225 3295 1 9 . 1 1 149 149 ARG CB C 149 33.261 33.261 31.845 1.416 25225 3296 1 9 . 1 1 149 149 ARG H H 149 7.623 7.623 8.626 -1.003 25225 3297 1 9 . 1 1 150 150 SER N N 150 113.789 113.789 119.561 -5.772 25225 3298 1 9 . 1 1 150 150 SER HA H 150 4.790 4.790 4.726 0.064 25225 3299 1 9 . 1 1 150 150 SER CA C 150 54.647 54.647 57.371 -2.724 25225 3300 1 9 . 1 1 150 150 SER CB C 150 63.412 63.412 67.306 -3.894 25225 3301 1 9 . 1 1 150 150 SER H H 150 8.709 8.709 8.119 0.590 25225 3302 1 9 . 1 1 151 151 CYS N N 151 120.824 120.824 121.272 -0.448 25225 3303 1 9 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.432 0.709 25225 3304 1 9 . 1 1 151 151 CYS CA C 151 55.095 55.095 58.309 -3.214 25225 3305 1 9 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.175 13.846 25225 3306 1 9 . 1 1 151 151 CYS H H 151 8.473 8.473 8.627 -0.154 25225 3307 1 9 . 1 1 152 152 SER N N 152 115.253 115.253 116.520 -1.267 25225 3308 1 9 . 1 1 152 152 SER HA H 152 4.834 4.834 4.769 0.065 25225 3309 1 9 . 1 1 152 152 SER CA C 152 54.771 54.771 57.065 -2.294 25225 3310 1 9 . 1 1 152 152 SER CB C 152 62.761 62.761 65.754 -2.993 25225 3311 1 9 . 1 1 152 152 SER H H 152 9.052 9.052 8.882 0.170 25225 3312 1 9 . 1 1 153 153 SER N N 153 120.787 120.787 117.693 3.094 25225 3313 1 9 . 1 1 153 153 SER HA H 153 4.930 4.930 4.653 0.277 25225 3314 1 9 . 1 1 153 153 SER CA C 153 55.479 55.479 57.887 -2.408 25225 3315 1 9 . 1 1 153 153 SER CB C 153 61.137 61.137 62.993 -1.857 25225 3316 1 9 . 1 1 153 153 SER H H 153 8.783 8.783 8.809 -0.026 25225 3317 1 9 . 1 1 154 154 SER N N 154 117.808 117.808 114.517 3.291 25225 3318 1 9 . 1 1 154 154 SER HA H 154 4.555 4.555 4.613 -0.058 25225 3319 1 9 . 1 1 154 154 SER CA C 154 54.084 54.084 57.755 -3.671 25225 3320 1 9 . 1 1 154 154 SER CB C 154 60.141 60.141 64.378 -4.237 25225 3321 1 9 . 1 1 154 154 SER H H 154 8.300 8.300 7.597 0.703 25225 3322 1 9 . 1 1 155 155 CYS N N 155 125.978 125.978 126.138 -0.160 25225 3323 1 9 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.390 -0.018 25225 3324 1 9 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.719 -4.081 25225 3325 1 9 . 1 1 155 155 CYS CB C 155 37.300 37.300 24.785 12.515 25225 3326 1 9 . 1 1 155 155 CYS H H 155 8.668 8.668 8.763 -0.095 25225 3327 1 9 . 1 1 156 156 VAL N N 156 129.527 129.527 127.019 2.508 25225 3328 1 9 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.250 -0.085 25225 3329 1 9 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.584 -2.641 25225 3330 1 9 . 1 1 156 156 VAL CB C 156 30.381 30.381 33.850 -3.470 25225 3331 1 9 . 1 1 156 156 VAL H H 156 8.239 8.239 8.047 0.192 25225 3332 1 9 . 1 1 157 157 ALA N N 157 130.280 130.280 128.452 1.828 25225 3333 1 9 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.424 -0.282 25225 3334 1 9 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.967 -2.920 25225 3335 1 9 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.490 -2.923 25225 3336 1 9 . 1 1 157 157 ALA H H 157 8.414 8.414 8.452 -0.038 25225 3337 1 9 . 1 1 158 158 THR N N 158 115.127 115.127 112.315 2.812 25225 3338 1 9 . 1 1 158 158 THR HA H 158 4.214 4.214 4.430 -0.216 25225 3339 1 9 . 1 1 158 158 THR CA C 158 59.207 59.207 61.295 -2.088 25225 3340 1 9 . 1 1 158 158 THR CB C 158 66.814 66.814 69.995 -3.181 25225 3341 1 9 . 1 1 158 158 THR H H 158 8.219 8.219 8.148 0.071 25225 3342 1 9 . 1 1 159 159 ASP N N 159 125.274 125.274 121.053 4.221 25225 3343 1 9 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.881 -0.023 25225 3344 1 9 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.282 -2.967 25225 3345 1 9 . 1 1 159 159 ASP CB C 159 38.260 38.260 41.500 -3.240 25225 3346 1 9 . 1 1 159 159 ASP H H 159 8.548 8.548 8.334 0.214 25225 3347 1 9 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.403 -0.023 25225 3348 1 9 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.984 -2.665 25225 3349 1 9 . 1 1 160 160 PRO CB C 160 29.002 29.002 31.926 -2.924 25225 3350 1 9 . 1 1 161 161 ASP N N 161 116.981 116.981 117.993 -1.012 25225 3351 1 9 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.488 0.221 25225 3352 1 9 . 1 1 161 161 ASP CA C 161 51.383 51.383 55.018 -3.635 25225 3353 1 9 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.393 -2.784 25225 3354 1 9 . 1 1 161 161 ASP H H 161 8.402 8.402 8.131 0.271 25225 3355 1 9 . 1 1 162 162 SER N N 162 115.678 115.678 113.490 2.188 25225 3356 1 9 . 1 1 162 162 SER HA H 162 4.477 4.477 3.965 0.512 25225 3357 1 9 . 1 1 162 162 SER CA C 162 55.371 55.371 58.764 -3.393 25225 3358 1 9 . 1 1 162 162 SER CB C 162 60.763 60.763 62.096 -1.333 25225 3359 1 9 . 1 1 162 162 SER H H 162 7.865 7.865 7.954 -0.089 25225 3360 1 9 . 1 1 163 163 ILE N N 163 122.425 122.425 118.366 4.059 25225 3361 1 9 . 1 1 163 163 ILE HA H 163 4.190 4.190 3.971 0.219 25225 3362 1 9 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.958 -4.419 25225 3363 1 9 . 1 1 163 163 ILE CB C 163 35.563 35.563 37.832 -2.269 25225 3364 1 9 . 1 1 163 163 ILE H H 163 8.098 8.098 7.923 0.175 25225 3365 1 9 . 1 1 164 164 GLY N N 164 112.830 112.830 107.905 4.925 25225 3366 1 9 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.107 -1.765 25225 3367 1 9 . 1 1 164 164 GLY H H 164 8.564 8.564 7.720 0.844 25225 3368 1 9 . 1 1 165 165 ALA N N 165 123.606 123.606 121.533 2.073 25225 3369 1 9 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.929 0.389 25225 3370 1 9 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.676 -3.488 25225 3371 1 9 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.905 -1.747 25225 3372 1 9 . 1 1 165 165 ALA H H 165 7.901 7.901 8.102 -0.201 25225 3373 1 9 . 1 1 166 166 ALA N N 166 122.736 122.736 119.435 3.301 25225 3374 1 9 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.314 -0.082 25225 3375 1 9 . 1 1 166 166 ALA CA C 166 49.778 49.778 51.557 -1.779 25225 3376 1 9 . 1 1 166 166 ALA CB C 166 16.171 16.171 17.663 -1.492 25225 3377 1 9 . 1 1 166 166 ALA H H 166 8.243 8.243 8.076 0.167 25225 3378 1 9 . 1 1 167 167 HIS N N 167 114.237 114.237 119.004 -4.767 25225 3379 1 9 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.474 0.513 25225 3380 1 9 . 1 1 167 167 HIS CA C 167 51.148 51.148 58.005 -6.857 25225 3381 1 9 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.712 -3.491 25225 3382 1 9 . 1 1 167 167 HIS H H 167 7.931 7.931 7.500 0.431 25225 3383 1 9 . 1 1 168 168 LEU N N 168 123.034 123.034 122.269 0.765 25225 3384 1 9 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.610 -0.130 25225 3385 1 9 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.307 -2.263 25225 3386 1 9 . 1 1 168 168 LEU CB C 168 40.719 40.719 40.318 0.401 25225 3387 1 9 . 1 1 168 168 LEU H H 168 8.371 8.371 7.917 0.454 25225 3388 1 9 . 1 1 169 169 ILE N N 169 121.493 121.493 124.186 -2.693 25225 3389 1 9 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.679 0.228 25225 3390 1 9 . 1 1 169 169 ILE CA C 169 56.856 56.856 59.540 -2.684 25225 3391 1 9 . 1 1 169 169 ILE CB C 169 37.464 37.464 35.911 1.553 25225 3392 1 9 . 1 1 169 169 ILE H H 169 8.097 8.097 7.601 0.496 25225 3393 1 9 . 1 1 170 170 PHE N N 170 125.500 125.500 127.534 -2.034 25225 3394 1 9 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.628 0.302 25225 3395 1 9 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.333 -5.530 25225 3396 1 9 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.824 -3.051 25225 3397 1 9 . 1 1 170 170 PHE H H 170 9.246 9.246 8.505 0.741 25225 3398 1 9 . 1 1 171 171 CYS N N 171 118.630 118.630 116.141 2.489 25225 3399 1 9 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.406 -0.045 25225 3400 1 9 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.890 -6.021 25225 3401 1 9 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.413 11.958 25225 3402 1 9 . 1 1 171 171 CYS H H 171 8.577 8.577 8.190 0.387 25225 3403 1 9 . 1 1 172 172 CYS N N 172 118.255 118.255 116.787 1.468 25225 3404 1 9 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.528 -0.069 25225 3405 1 9 . 1 1 172 172 CYS CA C 172 51.892 51.892 56.865 -4.973 25225 3406 1 9 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.762 11.369 25225 3407 1 9 . 1 1 172 172 CYS H H 172 8.679 8.679 8.093 0.586 25225 3408 1 9 . 1 1 173 173 PHE N N 173 119.428 119.428 117.674 1.754 25225 3409 1 9 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.995 0.153 25225 3410 1 9 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.358 -2.115 25225 3411 1 9 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.479 -2.039 25225 3412 1 9 . 1 1 173 173 PHE H H 173 8.810 8.810 8.540 0.270 25225 3413 1 9 . 1 1 174 174 ARG N N 174 119.247 119.247 121.139 -1.892 25225 3414 1 9 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.594 0.180 25225 3415 1 9 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.780 -3.644 25225 3416 1 9 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.286 -2.057 25225 3417 1 9 . 1 1 174 174 ARG H H 174 7.450 7.450 7.764 -0.314 25225 3418 1 9 . 1 1 175 175 ASP N N 175 119.844 119.844 123.917 -4.073 25225 3419 1 9 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.831 0.015 25225 3420 1 9 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.062 -2.548 25225 3421 1 9 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.576 -2.041 25225 3422 1 9 . 1 1 175 175 ASP H H 175 8.290 8.290 8.634 -0.344 25225 3423 1 9 . 1 1 176 176 LEU N N 176 114.448 114.448 119.144 -4.696 25225 3424 1 9 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.835 -0.491 25225 3425 1 9 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.199 -3.059 25225 3426 1 9 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.156 -5.270 25225 3427 1 9 . 1 1 176 176 LEU H H 176 9.298 9.298 8.670 0.628 25225 3428 1 9 . 1 1 177 177 CYS N N 177 112.101 112.101 115.053 -2.952 25225 3429 1 9 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.228 0.319 25225 3430 1 9 . 1 1 177 177 CYS CA C 177 53.532 53.532 59.761 -6.229 25225 3431 1 9 . 1 1 177 177 CYS CB C 177 41.582 41.582 26.984 14.598 25225 3432 1 9 . 1 1 177 177 CYS H H 177 7.834 7.834 8.105 -0.271 25225 3433 1 9 . 1 1 178 178 ASN N N 178 122.157 122.157 117.135 5.022 25225 3434 1 9 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.740 0.038 25225 3435 1 9 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.090 -2.526 25225 3436 1 9 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.773 -7.635 25225 3437 1 9 . 1 1 178 178 ASN H H 178 9.014 9.014 7.871 1.143 25225 3438 1 9 . 1 1 179 179 SER N N 179 109.444 109.444 112.075 -2.631 25225 3439 1 9 . 1 1 179 179 SER HA H 179 3.945 3.945 4.366 -0.421 25225 3440 1 9 . 1 1 179 179 SER CA C 179 55.092 55.092 58.272 -3.180 25225 3441 1 9 . 1 1 179 179 SER CB C 179 59.118 59.118 63.676 -4.558 25225 3442 1 9 . 1 1 179 179 SER H H 179 7.482 7.482 8.411 -0.929 25225 3443 1 9 . 1 1 180 180 GLU N N 180 120.035 120.035 121.806 -1.771 25225 3444 1 9 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.452 -0.093 25225 3445 1 9 . 1 1 180 180 GLU CA C 180 52.226 52.226 55.394 -3.168 25225 3446 1 9 . 1 1 180 180 GLU CB C 180 28.439 28.439 31.894 -3.455 25225 3447 1 9 . 1 1 180 180 GLU H H 180 7.936 7.936 8.140 -0.204 25225 3448 1 10 . 1 1 101 101 LEU N N 101 127.862 127.862 125.620 2.242 25225 3449 1 10 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.672 -0.038 25225 3450 1 10 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.754 -2.878 25225 3451 1 10 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.303 -0.282 25225 3452 1 10 . 1 1 101 101 LEU H H 101 8.754 8.754 8.690 0.064 25225 3453 1 10 . 1 1 102 102 LYS N N 102 121.006 121.006 125.957 -4.951 25225 3454 1 10 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.098 0.163 25225 3455 1 10 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.415 -3.823 25225 3456 1 10 . 1 1 102 102 LYS CB C 102 32.019 32.019 36.102 -4.083 25225 3457 1 10 . 1 1 102 102 LYS H H 102 7.879 7.879 8.288 -0.409 25225 3458 1 10 . 1 1 103 103 CYS N N 103 117.708 117.708 119.761 -2.053 25225 3459 1 10 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.713 0.233 25225 3460 1 10 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.588 -9.590 25225 3461 1 10 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.979 6.933 25225 3462 1 10 . 1 1 103 103 CYS H H 103 8.427 8.427 8.345 0.083 25225 3463 1 10 . 1 1 104 104 TYR N N 104 121.098 121.098 121.723 -0.625 25225 3464 1 10 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.719 0.417 25225 3465 1 10 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.068 -2.526 25225 3466 1 10 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.026 -2.244 25225 3467 1 10 . 1 1 104 104 TYR H H 104 8.442 8.442 9.255 -0.813 25225 3468 1 10 . 1 1 105 105 THR N N 105 110.634 110.634 114.348 -3.714 25225 3469 1 10 . 1 1 105 105 THR HA H 105 4.624 4.624 4.768 -0.144 25225 3470 1 10 . 1 1 105 105 THR CA C 105 57.375 57.375 60.720 -3.345 25225 3471 1 10 . 1 1 105 105 THR CB C 105 70.082 70.082 70.462 -0.380 25225 3472 1 10 . 1 1 105 105 THR H H 105 9.312 9.312 8.000 1.312 25225 3473 1 10 . 1 1 106 106 CYS N N 106 109.134 109.134 124.151 -15.017 25225 3474 1 10 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.659 0.183 25225 3475 1 10 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.903 -2.669 25225 3476 1 10 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.247 13.851 25225 3477 1 10 . 1 1 106 106 CYS H H 106 8.260 8.260 8.216 0.044 25225 3478 1 10 . 1 1 107 107 LYS N N 107 120.821 120.821 121.579 -0.758 25225 3479 1 10 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.492 -0.124 25225 3480 1 10 . 1 1 107 107 LYS CA C 107 54.209 54.209 56.850 -2.641 25225 3481 1 10 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.570 -2.003 25225 3482 1 10 . 1 1 107 107 LYS H H 107 8.624 8.624 8.788 -0.164 25225 3483 1 10 . 1 1 108 108 GLU N N 108 118.533 118.533 118.062 0.471 25225 3484 1 10 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.714 0.014 25225 3485 1 10 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.504 -3.792 25225 3486 1 10 . 1 1 108 108 GLU CB C 108 27.002 27.002 32.477 -5.475 25225 3487 1 10 . 1 1 108 108 GLU H H 108 7.627 7.627 7.628 -0.001 25225 3488 1 10 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.534 0.023 25225 3489 1 10 . 1 1 109 109 PRO CA C 109 59.633 59.633 62.284 -2.651 25225 3490 1 10 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.740 -4.168 25225 3491 1 10 . 1 1 110 110 MET N N 110 122.942 122.942 118.167 4.775 25225 3492 1 10 . 1 1 110 110 MET HA H 110 4.827 4.827 4.154 0.673 25225 3493 1 10 . 1 1 110 110 MET CA C 110 51.502 51.502 57.983 -6.481 25225 3494 1 10 . 1 1 110 110 MET CB C 110 34.636 34.636 32.248 2.388 25225 3495 1 10 . 1 1 110 110 MET H H 110 9.017 9.017 8.755 0.262 25225 3496 1 10 . 1 1 111 111 THR N N 111 110.441 110.441 112.377 -1.936 25225 3497 1 10 . 1 1 111 111 THR HA H 111 4.534 4.534 4.127 0.407 25225 3498 1 10 . 1 1 111 111 THR CA C 111 59.025 59.025 63.651 -4.626 25225 3499 1 10 . 1 1 111 111 THR H H 111 8.282 8.282 8.031 0.251 25225 3500 1 10 . 1 1 112 112 SER N N 112 115.495 115.495 116.536 -1.041 25225 3501 1 10 . 1 1 112 112 SER HA H 112 3.890 3.890 4.357 -0.467 25225 3502 1 10 . 1 1 112 112 SER CA C 112 57.930 57.930 58.587 -0.657 25225 3503 1 10 . 1 1 112 112 SER CB C 112 59.493 59.493 64.190 -4.697 25225 3504 1 10 . 1 1 112 112 SER H H 112 8.739 8.739 7.548 1.191 25225 3505 1 10 . 1 1 113 113 ALA N N 113 119.080 119.080 124.398 -5.318 25225 3506 1 10 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.204 -0.189 25225 3507 1 10 . 1 1 113 113 ALA H H 113 8.374 8.374 8.366 0.008 25225 3508 1 10 . 1 1 114 114 SER N N 114 110.843 110.843 112.615 -1.772 25225 3509 1 10 . 1 1 114 114 SER HA H 114 4.515 4.515 4.490 0.025 25225 3510 1 10 . 1 1 114 114 SER CA C 114 55.891 55.891 57.054 -1.163 25225 3511 1 10 . 1 1 114 114 SER CB C 114 61.376 61.376 64.137 -2.761 25225 3512 1 10 . 1 1 114 114 SER H H 114 7.561 7.561 7.968 -0.407 25225 3513 1 10 . 1 1 115 115 CYS N N 115 124.537 124.537 126.635 -2.098 25225 3514 1 10 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.309 0.772 25225 3515 1 10 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.581 -6.354 25225 3516 1 10 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.962 16.102 25225 3517 1 10 . 1 1 115 115 CYS H H 115 7.576 7.576 9.112 -1.536 25225 3518 1 10 . 1 1 116 116 ARG N N 116 121.872 121.872 127.646 -5.774 25225 3519 1 10 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.646 -0.151 25225 3520 1 10 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.776 -3.873 25225 3521 1 10 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.754 -4.146 25225 3522 1 10 . 1 1 116 116 ARG H H 116 7.869 7.869 7.812 0.057 25225 3523 1 10 . 1 1 117 117 THR N N 117 119.541 119.541 116.030 3.511 25225 3524 1 10 . 1 1 117 117 THR HA H 117 4.311 4.311 4.610 -0.299 25225 3525 1 10 . 1 1 117 117 THR CA C 117 61.472 61.472 61.133 0.339 25225 3526 1 10 . 1 1 117 117 THR CB C 117 65.543 65.543 71.943 -6.400 25225 3527 1 10 . 1 1 117 117 THR H H 117 8.309 8.309 8.365 -0.056 25225 3528 1 10 . 1 1 118 118 ILE N N 118 129.953 129.953 127.302 2.651 25225 3529 1 10 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.701 0.223 25225 3530 1 10 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.149 -1.798 25225 3531 1 10 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.126 -2.391 25225 3532 1 10 . 1 1 118 118 ILE H H 118 8.949 8.949 8.656 0.293 25225 3533 1 10 . 1 1 119 119 THR N N 119 126.753 126.753 123.659 3.094 25225 3534 1 10 . 1 1 119 119 THR HA H 119 4.475 4.475 4.605 -0.130 25225 3535 1 10 . 1 1 119 119 THR CA C 119 58.200 58.200 60.500 -2.300 25225 3536 1 10 . 1 1 119 119 THR CB C 119 67.794 67.794 71.781 -3.987 25225 3537 1 10 . 1 1 119 119 THR H H 119 8.711 8.711 8.415 0.296 25225 3538 1 10 . 1 1 120 120 ARG N N 120 126.298 126.298 124.671 1.627 25225 3539 1 10 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.480 -0.187 25225 3540 1 10 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.862 -2.482 25225 3541 1 10 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.071 -3.431 25225 3542 1 10 . 1 1 120 120 ARG H H 120 8.549 8.549 8.480 0.069 25225 3543 1 10 . 1 1 121 121 CYS N N 121 125.959 125.959 123.679 2.280 25225 3544 1 10 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.374 0.400 25225 3545 1 10 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.819 -9.932 25225 3546 1 10 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.278 5.391 25225 3547 1 10 . 1 1 121 121 CYS H H 121 8.747 8.747 8.791 -0.044 25225 3548 1 10 . 1 1 122 122 LYS N N 122 119.892 119.892 121.622 -1.730 25225 3549 1 10 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.556 -0.067 25225 3550 1 10 . 1 1 122 122 LYS CA C 122 52.781 52.781 53.726 -0.945 25225 3551 1 10 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.534 -4.076 25225 3552 1 10 . 1 1 122 122 LYS H H 122 8.576 8.576 8.310 0.266 25225 3553 1 10 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.431 -0.182 25225 3554 1 10 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.584 -1.575 25225 3555 1 10 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.064 -3.376 25225 3556 1 10 . 1 1 124 124 GLU N N 124 112.877 112.877 117.854 -4.977 25225 3557 1 10 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.252 -0.030 25225 3558 1 10 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.761 -2.740 25225 3559 1 10 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.613 -3.840 25225 3560 1 10 . 1 1 124 124 GLU H H 124 8.892 8.892 8.447 0.445 25225 3561 1 10 . 1 1 125 125 ASP N N 125 120.983 120.983 118.730 2.253 25225 3562 1 10 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.822 -0.308 25225 3563 1 10 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.666 -1.504 25225 3564 1 10 . 1 1 125 125 ASP CB C 125 37.075 37.075 42.263 -5.188 25225 3565 1 10 . 1 1 125 125 ASP H H 125 7.675 7.675 7.367 0.308 25225 3566 1 10 . 1 1 126 126 THR N N 126 110.714 110.714 113.003 -2.289 25225 3567 1 10 . 1 1 126 126 THR HA H 126 4.445 4.445 4.485 -0.040 25225 3568 1 10 . 1 1 126 126 THR CA C 126 57.795 57.795 61.721 -3.926 25225 3569 1 10 . 1 1 126 126 THR CB C 126 68.080 68.080 70.809 -2.729 25225 3570 1 10 . 1 1 126 126 THR H H 126 8.139 8.139 7.984 0.155 25225 3571 1 10 . 1 1 127 127 ALA N N 127 123.060 123.060 122.726 0.334 25225 3572 1 10 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.974 -0.005 25225 3573 1 10 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.982 -2.156 25225 3574 1 10 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.396 -0.385 25225 3575 1 10 . 1 1 127 127 ALA H H 127 8.408 8.408 7.888 0.520 25225 3576 1 10 . 1 1 128 128 CYS N N 128 115.816 115.816 117.409 -1.593 25225 3577 1 10 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.705 0.700 25225 3578 1 10 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.988 -9.850 25225 3579 1 10 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.855 2.873 25225 3580 1 10 . 1 1 128 128 CYS H H 128 8.764 8.764 8.633 0.131 25225 3581 1 10 . 1 1 129 129 MET N N 129 126.078 126.078 118.796 7.282 25225 3582 1 10 . 1 1 129 129 MET HA H 129 5.485 5.485 4.977 0.508 25225 3583 1 10 . 1 1 129 129 MET CA C 129 51.630 51.630 54.822 -3.192 25225 3584 1 10 . 1 1 129 129 MET CB C 129 35.308 35.308 37.493 -2.185 25225 3585 1 10 . 1 1 129 129 MET H H 129 9.366 9.366 8.789 0.577 25225 3586 1 10 . 1 1 130 130 THR N N 130 123.706 123.706 117.834 5.872 25225 3587 1 10 . 1 1 130 130 THR HA H 130 5.177 5.177 4.918 0.259 25225 3588 1 10 . 1 1 130 130 THR CA C 130 59.260 59.260 61.413 -2.153 25225 3589 1 10 . 1 1 130 130 THR CB C 130 68.549 68.549 72.269 -3.720 25225 3590 1 10 . 1 1 130 130 THR H H 130 8.903 8.903 7.979 0.924 25225 3591 1 10 . 1 1 131 131 THR N N 131 123.644 123.644 122.046 1.598 25225 3592 1 10 . 1 1 131 131 THR HA H 131 5.110 5.110 4.747 0.363 25225 3593 1 10 . 1 1 131 131 THR CA C 131 58.370 58.370 61.719 -3.349 25225 3594 1 10 . 1 1 131 131 THR CB C 131 66.519 66.519 69.833 -3.314 25225 3595 1 10 . 1 1 131 131 THR H H 131 9.284 9.284 8.585 0.699 25225 3596 1 10 . 1 1 132 132 LEU N N 132 128.424 128.424 128.464 -0.040 25225 3597 1 10 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.941 -0.192 25225 3598 1 10 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.925 -2.009 25225 3599 1 10 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.630 -4.896 25225 3600 1 10 . 1 1 132 132 LEU H H 132 9.132 9.132 8.605 0.527 25225 3601 1 10 . 1 1 133 133 VAL N N 133 126.950 126.950 118.604 8.346 25225 3602 1 10 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.446 -0.373 25225 3603 1 10 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.477 -1.215 25225 3604 1 10 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.092 -2.504 25225 3605 1 10 . 1 1 133 133 VAL H H 133 8.781 8.781 8.213 0.568 25225 3606 1 10 . 1 1 134 134 THR N N 134 115.286 115.286 117.816 -2.530 25225 3607 1 10 . 1 1 134 134 THR HA H 134 4.473 4.473 4.470 0.003 25225 3608 1 10 . 1 1 134 134 THR CA C 134 58.340 58.340 60.549 -2.209 25225 3609 1 10 . 1 1 134 134 THR CB C 134 66.590 66.590 70.699 -4.109 25225 3610 1 10 . 1 1 134 134 THR H H 134 7.870 7.870 7.660 0.210 25225 3611 1 10 . 1 1 135 135 VAL N N 135 121.196 121.196 122.680 -1.484 25225 3612 1 10 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.836 0.455 25225 3613 1 10 . 1 1 135 135 VAL CA C 135 58.549 58.549 63.435 -4.886 25225 3614 1 10 . 1 1 135 135 VAL CB C 135 30.204 30.204 30.166 0.038 25225 3615 1 10 . 1 1 135 135 VAL H H 135 8.142 8.142 8.560 -0.418 25225 3616 1 10 . 1 1 136 136 GLU N N 136 123.911 123.911 123.083 0.828 25225 3617 1 10 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.274 0.048 25225 3618 1 10 . 1 1 136 136 GLU CA C 136 53.456 53.456 55.861 -2.405 25225 3619 1 10 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.922 1.466 25225 3620 1 10 . 1 1 136 136 GLU H H 136 8.424 8.424 8.067 0.357 25225 3621 1 10 . 1 1 137 137 ALA N N 137 124.105 124.105 124.254 -0.149 25225 3622 1 10 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.549 -0.261 25225 3623 1 10 . 1 1 137 137 ALA CA C 137 49.707 49.707 52.565 -2.858 25225 3624 1 10 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.634 -3.341 25225 3625 1 10 . 1 1 137 137 ALA H H 137 8.292 8.292 8.386 -0.094 25225 3626 1 10 . 1 1 138 138 GLU N N 138 117.459 117.459 121.215 -3.756 25225 3627 1 10 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.459 -0.197 25225 3628 1 10 . 1 1 138 138 GLU CA C 138 53.603 53.603 56.132 -2.529 25225 3629 1 10 . 1 1 138 138 GLU CB C 138 26.856 26.856 31.073 -4.217 25225 3630 1 10 . 1 1 138 138 GLU H H 138 8.137 8.137 8.260 -0.123 25225 3631 1 10 . 1 1 139 139 TYR N N 139 119.908 119.908 122.753 -2.845 25225 3632 1 10 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.834 -0.038 25225 3633 1 10 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.306 -2.622 25225 3634 1 10 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.599 -3.210 25225 3635 1 10 . 1 1 139 139 TYR H H 139 7.916 7.916 8.414 -0.498 25225 3636 1 10 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.165 0.175 25225 3637 1 10 . 1 1 140 140 PRO CA C 140 60.669 60.669 61.948 -1.279 25225 3638 1 10 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.401 -3.889 25225 3639 1 10 . 1 1 141 141 PHE N N 141 117.257 117.257 116.586 0.671 25225 3640 1 10 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.429 0.174 25225 3641 1 10 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.313 -3.746 25225 3642 1 10 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.173 -3.497 25225 3643 1 10 . 1 1 141 141 PHE H H 141 7.755 7.755 8.119 -0.364 25225 3644 1 10 . 1 1 142 142 ASN N N 142 118.560 118.560 116.886 1.674 25225 3645 1 10 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.819 -0.164 25225 3646 1 10 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.478 -2.168 25225 3647 1 10 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.309 -2.954 25225 3648 1 10 . 1 1 142 142 ASN H H 142 8.101 8.101 7.929 0.172 25225 3649 1 10 . 1 1 143 143 GLN N N 143 119.234 119.234 122.383 -3.149 25225 3650 1 10 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.462 -0.083 25225 3651 1 10 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.255 -3.333 25225 3652 1 10 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.294 -2.795 25225 3653 1 10 . 1 1 143 143 GLN H H 143 8.222 8.222 8.458 -0.236 25225 3654 1 10 . 1 1 144 144 SER N N 144 117.221 117.221 115.208 2.013 25225 3655 1 10 . 1 1 144 144 SER HA H 144 4.830 4.830 4.588 0.242 25225 3656 1 10 . 1 1 144 144 SER CA C 144 53.218 53.218 56.921 -3.703 25225 3657 1 10 . 1 1 144 144 SER CB C 144 60.633 60.633 63.465 -2.832 25225 3658 1 10 . 1 1 144 144 SER H H 144 8.248 8.248 8.492 -0.244 25225 3659 1 10 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.395 0.179 25225 3660 1 10 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.845 -2.805 25225 3661 1 10 . 1 1 145 145 PRO CB C 145 29.313 29.313 30.749 -1.436 25225 3662 1 10 . 1 1 146 146 VAL N N 146 120.628 120.628 124.392 -3.764 25225 3663 1 10 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.393 -0.089 25225 3664 1 10 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.668 -2.328 25225 3665 1 10 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.573 -4.513 25225 3666 1 10 . 1 1 146 146 VAL H H 146 8.330 8.330 7.667 0.663 25225 3667 1 10 . 1 1 147 147 VAL N N 147 116.972 116.972 123.033 -6.061 25225 3668 1 10 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.487 1.217 25225 3669 1 10 . 1 1 147 147 VAL H H 147 9.040 9.040 8.327 0.713 25225 3670 1 10 . 1 1 148 148 THR N N 148 107.103 107.103 112.585 -5.482 25225 3671 1 10 . 1 1 148 148 THR HA H 148 4.906 4.906 4.573 0.333 25225 3672 1 10 . 1 1 148 148 THR CA C 148 58.020 58.020 61.278 -3.258 25225 3673 1 10 . 1 1 148 148 THR CB C 148 67.765 67.765 71.118 -3.353 25225 3674 1 10 . 1 1 148 148 THR H H 148 8.442 8.442 7.928 0.514 25225 3675 1 10 . 1 1 149 149 ARG N N 149 120.370 120.370 128.406 -8.036 25225 3676 1 10 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.869 0.762 25225 3677 1 10 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.401 -3.422 25225 3678 1 10 . 1 1 149 149 ARG CB C 149 33.261 33.261 31.609 1.652 25225 3679 1 10 . 1 1 149 149 ARG H H 149 7.623 7.623 8.888 -1.265 25225 3680 1 10 . 1 1 150 150 SER N N 150 113.789 113.789 119.141 -5.352 25225 3681 1 10 . 1 1 150 150 SER HA H 150 4.790 4.790 4.800 -0.010 25225 3682 1 10 . 1 1 150 150 SER CA C 150 54.647 54.647 56.694 -2.047 25225 3683 1 10 . 1 1 150 150 SER CB C 150 63.412 63.412 66.343 -2.931 25225 3684 1 10 . 1 1 150 150 SER H H 150 8.709 8.709 8.125 0.584 25225 3685 1 10 . 1 1 151 151 CYS N N 151 120.824 120.824 119.548 1.276 25225 3686 1 10 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.388 0.753 25225 3687 1 10 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.234 -4.139 25225 3688 1 10 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.553 14.468 25225 3689 1 10 . 1 1 151 151 CYS H H 151 8.473 8.473 8.677 -0.204 25225 3690 1 10 . 1 1 152 152 SER N N 152 115.253 115.253 115.488 -0.235 25225 3691 1 10 . 1 1 152 152 SER HA H 152 4.834 4.834 4.788 0.046 25225 3692 1 10 . 1 1 152 152 SER CA C 152 54.771 54.771 56.641 -1.870 25225 3693 1 10 . 1 1 152 152 SER CB C 152 62.761 62.761 64.550 -1.789 25225 3694 1 10 . 1 1 152 152 SER H H 152 9.052 9.052 8.894 0.158 25225 3695 1 10 . 1 1 153 153 SER N N 153 120.787 120.787 118.974 1.813 25225 3696 1 10 . 1 1 153 153 SER HA H 153 4.930 4.930 4.633 0.297 25225 3697 1 10 . 1 1 153 153 SER CA C 153 55.479 55.479 58.245 -2.766 25225 3698 1 10 . 1 1 153 153 SER CB C 153 61.137 61.137 63.191 -2.054 25225 3699 1 10 . 1 1 153 153 SER H H 153 8.783 8.783 8.722 0.061 25225 3700 1 10 . 1 1 154 154 SER N N 154 117.808 117.808 116.090 1.718 25225 3701 1 10 . 1 1 154 154 SER HA H 154 4.555 4.555 4.614 -0.059 25225 3702 1 10 . 1 1 154 154 SER CA C 154 54.084 54.084 57.481 -3.397 25225 3703 1 10 . 1 1 154 154 SER CB C 154 60.141 60.141 63.926 -3.785 25225 3704 1 10 . 1 1 154 154 SER H H 154 8.300 8.300 7.565 0.735 25225 3705 1 10 . 1 1 155 155 CYS N N 155 125.978 125.978 124.480 1.498 25225 3706 1 10 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.460 -0.088 25225 3707 1 10 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.577 -3.939 25225 3708 1 10 . 1 1 155 155 CYS CB C 155 37.300 37.300 26.033 11.267 25225 3709 1 10 . 1 1 155 155 CYS H H 155 8.668 8.668 8.727 -0.059 25225 3710 1 10 . 1 1 156 156 VAL N N 156 129.527 129.527 127.372 2.155 25225 3711 1 10 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.430 -0.265 25225 3712 1 10 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.034 -2.091 25225 3713 1 10 . 1 1 156 156 VAL CB C 156 30.381 30.381 35.328 -4.947 25225 3714 1 10 . 1 1 156 156 VAL H H 156 8.239 8.239 8.150 0.089 25225 3715 1 10 . 1 1 157 157 ALA N N 157 130.280 130.280 124.519 5.761 25225 3716 1 10 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.770 -0.628 25225 3717 1 10 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.489 -2.442 25225 3718 1 10 . 1 1 157 157 ALA CB C 157 16.567 16.567 20.345 -3.778 25225 3719 1 10 . 1 1 157 157 ALA H H 157 8.414 8.414 8.311 0.103 25225 3720 1 10 . 1 1 158 158 THR N N 158 115.127 115.127 113.216 1.911 25225 3721 1 10 . 1 1 158 158 THR HA H 158 4.214 4.214 4.554 -0.340 25225 3722 1 10 . 1 1 158 158 THR CA C 158 59.207 59.207 61.115 -1.908 25225 3723 1 10 . 1 1 158 158 THR CB C 158 66.814 66.814 69.543 -2.729 25225 3724 1 10 . 1 1 158 158 THR H H 158 8.219 8.219 8.158 0.061 25225 3725 1 10 . 1 1 159 159 ASP N N 159 125.274 125.274 118.592 6.682 25225 3726 1 10 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.857 0.001 25225 3727 1 10 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.428 -2.113 25225 3728 1 10 . 1 1 159 159 ASP CB C 159 38.260 38.260 40.665 -2.405 25225 3729 1 10 . 1 1 159 159 ASP H H 159 8.548 8.548 8.433 0.115 25225 3730 1 10 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.391 -0.011 25225 3731 1 10 . 1 1 160 160 PRO CA C 160 61.319 61.319 64.029 -2.710 25225 3732 1 10 . 1 1 160 160 PRO CB C 160 29.002 29.002 31.902 -2.900 25225 3733 1 10 . 1 1 161 161 ASP N N 161 116.981 116.981 118.727 -1.746 25225 3734 1 10 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.450 0.259 25225 3735 1 10 . 1 1 161 161 ASP CA C 161 51.383 51.383 55.892 -4.509 25225 3736 1 10 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.444 -2.835 25225 3737 1 10 . 1 1 161 161 ASP H H 161 8.402 8.402 8.064 0.338 25225 3738 1 10 . 1 1 162 162 SER N N 162 115.678 115.678 112.902 2.776 25225 3739 1 10 . 1 1 162 162 SER HA H 162 4.477 4.477 4.145 0.332 25225 3740 1 10 . 1 1 162 162 SER CA C 162 55.371 55.371 58.769 -3.398 25225 3741 1 10 . 1 1 162 162 SER CB C 162 60.763 60.763 62.800 -2.037 25225 3742 1 10 . 1 1 162 162 SER H H 162 7.865 7.865 7.809 0.056 25225 3743 1 10 . 1 1 163 163 ILE N N 163 122.425 122.425 116.551 5.874 25225 3744 1 10 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.110 0.080 25225 3745 1 10 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.386 -3.847 25225 3746 1 10 . 1 1 163 163 ILE CB C 163 35.563 35.563 37.959 -2.396 25225 3747 1 10 . 1 1 163 163 ILE H H 163 8.098 8.098 7.970 0.128 25225 3748 1 10 . 1 1 164 164 GLY N N 164 112.830 112.830 108.504 4.326 25225 3749 1 10 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.617 -2.275 25225 3750 1 10 . 1 1 164 164 GLY H H 164 8.564 8.564 7.824 0.740 25225 3751 1 10 . 1 1 165 165 ALA N N 165 123.606 123.606 122.044 1.562 25225 3752 1 10 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.652 0.666 25225 3753 1 10 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.357 -3.169 25225 3754 1 10 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.719 -1.561 25225 3755 1 10 . 1 1 165 165 ALA H H 165 7.901 7.901 8.399 -0.498 25225 3756 1 10 . 1 1 166 166 ALA N N 166 122.736 122.736 120.865 1.871 25225 3757 1 10 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.266 -0.034 25225 3758 1 10 . 1 1 166 166 ALA CA C 166 49.778 49.778 51.154 -1.376 25225 3759 1 10 . 1 1 166 166 ALA CB C 166 16.171 16.171 17.788 -1.617 25225 3760 1 10 . 1 1 166 166 ALA H H 166 8.243 8.243 7.984 0.259 25225 3761 1 10 . 1 1 167 167 HIS N N 167 114.237 114.237 118.759 -4.522 25225 3762 1 10 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.372 0.615 25225 3763 1 10 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.383 -4.235 25225 3764 1 10 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.635 -3.414 25225 3765 1 10 . 1 1 167 167 HIS H H 167 7.931 7.931 7.251 0.680 25225 3766 1 10 . 1 1 168 168 LEU N N 168 123.034 123.034 121.551 1.483 25225 3767 1 10 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.395 0.085 25225 3768 1 10 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.770 -2.726 25225 3769 1 10 . 1 1 168 168 LEU CB C 168 40.719 40.719 39.415 1.304 25225 3770 1 10 . 1 1 168 168 LEU H H 168 8.371 8.371 8.077 0.294 25225 3771 1 10 . 1 1 169 169 ILE N N 169 121.493 121.493 124.488 -2.995 25225 3772 1 10 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.758 0.149 25225 3773 1 10 . 1 1 169 169 ILE CA C 169 56.856 56.856 61.543 -4.687 25225 3774 1 10 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.937 -1.473 25225 3775 1 10 . 1 1 169 169 ILE H H 169 8.097 8.097 7.765 0.332 25225 3776 1 10 . 1 1 170 170 PHE N N 170 125.500 125.500 127.985 -2.485 25225 3777 1 10 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.765 0.165 25225 3778 1 10 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.165 -4.362 25225 3779 1 10 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.279 -3.506 25225 3780 1 10 . 1 1 170 170 PHE H H 170 9.246 9.246 8.667 0.579 25225 3781 1 10 . 1 1 171 171 CYS N N 171 118.630 118.630 118.739 -0.109 25225 3782 1 10 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.336 0.025 25225 3783 1 10 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.441 -5.572 25225 3784 1 10 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.390 12.981 25225 3785 1 10 . 1 1 171 171 CYS H H 171 8.577 8.577 8.414 0.163 25225 3786 1 10 . 1 1 172 172 CYS N N 172 118.255 118.255 116.231 2.024 25225 3787 1 10 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.418 0.041 25225 3788 1 10 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.163 -5.271 25225 3789 1 10 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.508 11.623 25225 3790 1 10 . 1 1 172 172 CYS H H 172 8.679 8.679 8.281 0.398 25225 3791 1 10 . 1 1 173 173 PHE N N 173 119.428 119.428 117.949 1.479 25225 3792 1 10 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.953 0.195 25225 3793 1 10 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.685 -2.442 25225 3794 1 10 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.301 -1.861 25225 3795 1 10 . 1 1 173 173 PHE H H 173 8.810 8.810 8.451 0.359 25225 3796 1 10 . 1 1 174 174 ARG N N 174 119.247 119.247 120.183 -0.936 25225 3797 1 10 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.646 0.128 25225 3798 1 10 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.740 -3.604 25225 3799 1 10 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.825 -2.596 25225 3800 1 10 . 1 1 174 174 ARG H H 174 7.450 7.450 7.850 -0.400 25225 3801 1 10 . 1 1 175 175 ASP N N 175 119.844 119.844 123.990 -4.146 25225 3802 1 10 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.851 -0.005 25225 3803 1 10 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.093 -2.579 25225 3804 1 10 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.605 -2.070 25225 3805 1 10 . 1 1 175 175 ASP H H 175 8.290 8.290 8.634 -0.344 25225 3806 1 10 . 1 1 176 176 LEU N N 176 114.448 114.448 118.497 -4.049 25225 3807 1 10 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.898 -0.554 25225 3808 1 10 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.230 -3.091 25225 3809 1 10 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.012 -5.126 25225 3810 1 10 . 1 1 176 176 LEU H H 176 9.298 9.298 8.465 0.833 25225 3811 1 10 . 1 1 177 177 CYS N N 177 112.101 112.101 115.410 -3.309 25225 3812 1 10 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.233 0.314 25225 3813 1 10 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.162 -6.630 25225 3814 1 10 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.163 14.419 25225 3815 1 10 . 1 1 177 177 CYS H H 177 7.834 7.834 7.991 -0.157 25225 3816 1 10 . 1 1 178 178 ASN N N 178 122.157 122.157 118.009 4.148 25225 3817 1 10 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.778 -0.000 25225 3818 1 10 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.193 -2.629 25225 3819 1 10 . 1 1 178 178 ASN CB C 178 33.138 33.138 39.562 -6.424 25225 3820 1 10 . 1 1 178 178 ASN H H 178 9.014 9.014 7.795 1.219 25225 3821 1 10 . 1 1 179 179 SER N N 179 109.444 109.444 116.954 -7.510 25225 3822 1 10 . 1 1 179 179 SER HA H 179 3.945 3.945 3.736 0.209 25225 3823 1 10 . 1 1 179 179 SER CA C 179 55.092 55.092 58.533 -3.441 25225 3824 1 10 . 1 1 179 179 SER CB C 179 59.118 59.118 63.359 -4.241 25225 3825 1 10 . 1 1 179 179 SER H H 179 7.482 7.482 8.596 -1.114 25225 3826 1 10 . 1 1 180 180 GLU N N 180 120.035 120.035 120.831 -0.796 25225 3827 1 10 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.213 0.146 25225 3828 1 10 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.248 -4.022 25225 3829 1 10 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.135 -1.696 25225 3830 1 10 . 1 1 180 180 GLU H H 180 7.936 7.936 8.041 -0.105 25225 3831 1 11 . 1 1 101 101 LEU N N 101 127.862 127.862 124.282 3.580 25225 3832 1 11 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.639 -0.005 25225 3833 1 11 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.665 -2.789 25225 3834 1 11 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.319 -0.298 25225 3835 1 11 . 1 1 101 101 LEU H H 101 8.754 8.754 8.700 0.054 25225 3836 1 11 . 1 1 102 102 LYS N N 102 121.006 121.006 126.375 -5.369 25225 3837 1 11 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.065 0.196 25225 3838 1 11 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.440 -3.848 25225 3839 1 11 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.392 -3.373 25225 3840 1 11 . 1 1 102 102 LYS H H 102 7.879 7.879 8.256 -0.377 25225 3841 1 11 . 1 1 103 103 CYS N N 103 117.708 117.708 120.789 -3.081 25225 3842 1 11 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.777 0.169 25225 3843 1 11 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.152 -9.154 25225 3844 1 11 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.027 7.885 25225 3845 1 11 . 1 1 103 103 CYS H H 103 8.427 8.427 8.458 -0.031 25225 3846 1 11 . 1 1 104 104 TYR N N 104 121.098 121.098 122.712 -1.614 25225 3847 1 11 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.995 0.141 25225 3848 1 11 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.843 -3.300 25225 3849 1 11 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.690 -2.907 25225 3850 1 11 . 1 1 104 104 TYR H H 104 8.442 8.442 9.093 -0.651 25225 3851 1 11 . 1 1 105 105 THR N N 105 110.634 110.634 116.988 -6.354 25225 3852 1 11 . 1 1 105 105 THR HA H 105 4.624 4.624 4.789 -0.165 25225 3853 1 11 . 1 1 105 105 THR CA C 105 57.375 57.375 60.147 -2.772 25225 3854 1 11 . 1 1 105 105 THR CB C 105 70.082 70.082 70.790 -0.708 25225 3855 1 11 . 1 1 105 105 THR H H 105 9.312 9.312 8.443 0.869 25225 3856 1 11 . 1 1 106 106 CYS N N 106 109.134 109.134 124.223 -15.089 25225 3857 1 11 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.800 0.042 25225 3858 1 11 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.590 -2.356 25225 3859 1 11 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.775 13.323 25225 3860 1 11 . 1 1 106 106 CYS H H 106 8.260 8.260 8.240 0.020 25225 3861 1 11 . 1 1 107 107 LYS N N 107 120.821 120.821 120.264 0.557 25225 3862 1 11 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.213 0.155 25225 3863 1 11 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.867 -3.658 25225 3864 1 11 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.678 -2.111 25225 3865 1 11 . 1 1 107 107 LYS H H 107 8.624 8.624 8.569 0.055 25225 3866 1 11 . 1 1 108 108 GLU N N 108 118.533 118.533 117.743 0.790 25225 3867 1 11 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.690 0.038 25225 3868 1 11 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.303 -3.591 25225 3869 1 11 . 1 1 108 108 GLU CB C 108 27.002 27.002 32.807 -5.805 25225 3870 1 11 . 1 1 108 108 GLU H H 108 7.627 7.627 8.078 -0.451 25225 3871 1 11 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.445 0.112 25225 3872 1 11 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.179 -3.546 25225 3873 1 11 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.915 -3.343 25225 3874 1 11 . 1 1 110 110 MET N N 110 122.942 122.942 125.377 -2.435 25225 3875 1 11 . 1 1 110 110 MET HA H 110 4.827 4.827 4.697 0.130 25225 3876 1 11 . 1 1 110 110 MET CA C 110 51.502 51.502 54.763 -3.261 25225 3877 1 11 . 1 1 110 110 MET CB C 110 34.636 34.636 34.495 0.141 25225 3878 1 11 . 1 1 110 110 MET H H 110 9.017 9.017 8.396 0.621 25225 3879 1 11 . 1 1 111 111 THR N N 111 110.441 110.441 118.419 -7.978 25225 3880 1 11 . 1 1 111 111 THR HA H 111 4.534 4.534 4.290 0.244 25225 3881 1 11 . 1 1 111 111 THR CA C 111 59.025 59.025 64.198 -5.173 25225 3882 1 11 . 1 1 111 111 THR H H 111 8.282 8.282 8.685 -0.403 25225 3883 1 11 . 1 1 112 112 SER N N 112 115.495 115.495 114.954 0.541 25225 3884 1 11 . 1 1 112 112 SER HA H 112 3.890 3.890 4.604 -0.714 25225 3885 1 11 . 1 1 112 112 SER CA C 112 57.930 57.930 58.111 -0.181 25225 3886 1 11 . 1 1 112 112 SER CB C 112 59.493 59.493 64.040 -4.547 25225 3887 1 11 . 1 1 112 112 SER H H 112 8.739 8.739 7.932 0.807 25225 3888 1 11 . 1 1 113 113 ALA N N 113 119.080 119.080 125.666 -6.586 25225 3889 1 11 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.386 -0.371 25225 3890 1 11 . 1 1 113 113 ALA H H 113 8.374 8.374 7.657 0.717 25225 3891 1 11 . 1 1 114 114 SER N N 114 110.843 110.843 115.054 -4.211 25225 3892 1 11 . 1 1 114 114 SER HA H 114 4.515 4.515 4.475 0.040 25225 3893 1 11 . 1 1 114 114 SER CA C 114 55.891 55.891 57.456 -1.565 25225 3894 1 11 . 1 1 114 114 SER CB C 114 61.376 61.376 63.461 -2.085 25225 3895 1 11 . 1 1 114 114 SER H H 114 7.561 7.561 8.359 -0.798 25225 3896 1 11 . 1 1 115 115 CYS N N 115 124.537 124.537 127.788 -3.251 25225 3897 1 11 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.270 0.811 25225 3898 1 11 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.436 -6.209 25225 3899 1 11 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.030 16.034 25225 3900 1 11 . 1 1 115 115 CYS H H 115 7.576 7.576 9.016 -1.440 25225 3901 1 11 . 1 1 116 116 ARG N N 116 121.872 121.872 127.500 -5.628 25225 3902 1 11 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.611 -0.116 25225 3903 1 11 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.572 -3.669 25225 3904 1 11 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.581 -3.973 25225 3905 1 11 . 1 1 116 116 ARG H H 116 7.869 7.869 7.914 -0.045 25225 3906 1 11 . 1 1 117 117 THR N N 117 119.541 119.541 116.750 2.791 25225 3907 1 11 . 1 1 117 117 THR HA H 117 4.311 4.311 4.619 -0.308 25225 3908 1 11 . 1 1 117 117 THR CA C 117 61.472 61.472 60.555 0.917 25225 3909 1 11 . 1 1 117 117 THR CB C 117 65.543 65.543 71.560 -6.017 25225 3910 1 11 . 1 1 117 117 THR H H 117 8.309 8.309 8.461 -0.152 25225 3911 1 11 . 1 1 118 118 ILE N N 118 129.953 129.953 125.255 4.698 25225 3912 1 11 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.776 0.148 25225 3913 1 11 . 1 1 118 118 ILE CA C 118 60.351 60.351 61.290 -0.939 25225 3914 1 11 . 1 1 118 118 ILE CB C 118 34.735 34.735 36.169 -1.433 25225 3915 1 11 . 1 1 118 118 ILE H H 118 8.949 8.949 8.610 0.339 25225 3916 1 11 . 1 1 119 119 THR N N 119 126.753 126.753 123.013 3.740 25225 3917 1 11 . 1 1 119 119 THR HA H 119 4.475 4.475 4.575 -0.100 25225 3918 1 11 . 1 1 119 119 THR CA C 119 58.200 58.200 60.682 -2.482 25225 3919 1 11 . 1 1 119 119 THR CB C 119 67.794 67.794 72.019 -4.225 25225 3920 1 11 . 1 1 119 119 THR H H 119 8.711 8.711 8.133 0.578 25225 3921 1 11 . 1 1 120 120 ARG N N 120 126.298 126.298 124.409 1.889 25225 3922 1 11 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.470 -0.177 25225 3923 1 11 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.987 -2.607 25225 3924 1 11 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.970 -3.330 25225 3925 1 11 . 1 1 120 120 ARG H H 120 8.549 8.549 8.445 0.104 25225 3926 1 11 . 1 1 121 121 CYS N N 121 125.959 125.959 125.238 0.721 25225 3927 1 11 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.347 0.427 25225 3928 1 11 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.864 -9.977 25225 3929 1 11 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.063 5.606 25225 3930 1 11 . 1 1 121 121 CYS H H 121 8.747 8.747 8.747 0.000 25225 3931 1 11 . 1 1 122 122 LYS N N 122 119.892 119.892 122.642 -2.750 25225 3932 1 11 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.650 -0.161 25225 3933 1 11 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.563 -1.782 25225 3934 1 11 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.669 -4.211 25225 3935 1 11 . 1 1 122 122 LYS H H 122 8.576 8.576 8.414 0.162 25225 3936 1 11 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.297 -0.048 25225 3937 1 11 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.939 -1.930 25225 3938 1 11 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.015 -3.327 25225 3939 1 11 . 1 1 124 124 GLU N N 124 112.877 112.877 117.765 -4.888 25225 3940 1 11 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.183 0.039 25225 3941 1 11 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.892 -2.872 25225 3942 1 11 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.115 -3.342 25225 3943 1 11 . 1 1 124 124 GLU H H 124 8.892 8.892 8.336 0.556 25225 3944 1 11 . 1 1 125 125 ASP N N 125 120.983 120.983 119.727 1.256 25225 3945 1 11 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.639 -0.125 25225 3946 1 11 . 1 1 125 125 ASP CA C 125 53.162 53.162 55.036 -1.874 25225 3947 1 11 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.779 -4.704 25225 3948 1 11 . 1 1 125 125 ASP H H 125 7.675 7.675 7.398 0.277 25225 3949 1 11 . 1 1 126 126 THR N N 126 110.714 110.714 107.905 2.809 25225 3950 1 11 . 1 1 126 126 THR HA H 126 4.445 4.445 4.523 -0.078 25225 3951 1 11 . 1 1 126 126 THR CA C 126 57.795 57.795 62.260 -4.465 25225 3952 1 11 . 1 1 126 126 THR CB C 126 68.080 68.080 71.238 -3.158 25225 3953 1 11 . 1 1 126 126 THR H H 126 8.139 8.139 8.665 -0.526 25225 3954 1 11 . 1 1 127 127 ALA N N 127 123.060 123.060 123.523 -0.463 25225 3955 1 11 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.572 0.397 25225 3956 1 11 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.064 -2.238 25225 3957 1 11 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.591 0.420 25225 3958 1 11 . 1 1 127 127 ALA H H 127 8.408 8.408 7.554 0.854 25225 3959 1 11 . 1 1 128 128 CYS N N 128 115.816 115.816 116.662 -0.846 25225 3960 1 11 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.673 0.732 25225 3961 1 11 . 1 1 128 128 CYS CA C 128 49.138 49.138 59.017 -9.879 25225 3962 1 11 . 1 1 128 128 CYS CB C 128 33.728 33.728 29.877 3.851 25225 3963 1 11 . 1 1 128 128 CYS H H 128 8.764 8.764 8.562 0.202 25225 3964 1 11 . 1 1 129 129 MET N N 129 126.078 126.078 120.354 5.724 25225 3965 1 11 . 1 1 129 129 MET HA H 129 5.485 5.485 5.171 0.314 25225 3966 1 11 . 1 1 129 129 MET CA C 129 51.630 51.630 54.578 -2.949 25225 3967 1 11 . 1 1 129 129 MET CB C 129 35.308 35.308 37.520 -2.212 25225 3968 1 11 . 1 1 129 129 MET H H 129 9.366 9.366 8.911 0.455 25225 3969 1 11 . 1 1 130 130 THR N N 130 123.706 123.706 121.575 2.131 25225 3970 1 11 . 1 1 130 130 THR HA H 130 5.177 5.177 4.777 0.400 25225 3971 1 11 . 1 1 130 130 THR CA C 130 59.260 59.260 62.168 -2.908 25225 3972 1 11 . 1 1 130 130 THR CB C 130 68.549 68.549 70.026 -1.477 25225 3973 1 11 . 1 1 130 130 THR H H 130 8.903 8.903 9.146 -0.243 25225 3974 1 11 . 1 1 131 131 THR N N 131 123.644 123.644 124.315 -0.671 25225 3975 1 11 . 1 1 131 131 THR HA H 131 5.110 5.110 5.235 -0.125 25225 3976 1 11 . 1 1 131 131 THR CA C 131 58.370 58.370 62.777 -4.407 25225 3977 1 11 . 1 1 131 131 THR CB C 131 66.519 66.519 69.546 -3.027 25225 3978 1 11 . 1 1 131 131 THR H H 131 9.284 9.284 8.803 0.481 25225 3979 1 11 . 1 1 132 132 LEU N N 132 128.424 128.424 122.222 6.202 25225 3980 1 11 . 1 1 132 132 LEU HA H 132 4.749 4.749 5.089 -0.340 25225 3981 1 11 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.909 -1.993 25225 3982 1 11 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.574 -4.840 25225 3983 1 11 . 1 1 132 132 LEU H H 132 9.132 9.132 8.448 0.684 25225 3984 1 11 . 1 1 133 133 VAL N N 133 126.950 126.950 115.146 11.804 25225 3985 1 11 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.601 -0.528 25225 3986 1 11 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.634 -1.372 25225 3987 1 11 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.277 -2.689 25225 3988 1 11 . 1 1 133 133 VAL H H 133 8.781 8.781 8.267 0.514 25225 3989 1 11 . 1 1 134 134 THR N N 134 115.286 115.286 116.537 -1.251 25225 3990 1 11 . 1 1 134 134 THR HA H 134 4.473 4.473 4.557 -0.084 25225 3991 1 11 . 1 1 134 134 THR CA C 134 58.340 58.340 60.244 -1.904 25225 3992 1 11 . 1 1 134 134 THR CB C 134 66.590 66.590 70.720 -4.130 25225 3993 1 11 . 1 1 134 134 THR H H 134 7.870 7.870 7.864 0.006 25225 3994 1 11 . 1 1 135 135 VAL N N 135 121.196 121.196 119.574 1.622 25225 3995 1 11 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.814 0.477 25225 3996 1 11 . 1 1 135 135 VAL CA C 135 58.549 58.549 63.612 -5.063 25225 3997 1 11 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.625 -1.421 25225 3998 1 11 . 1 1 135 135 VAL H H 135 8.142 8.142 8.303 -0.161 25225 3999 1 11 . 1 1 136 136 GLU N N 136 123.911 123.911 120.686 3.225 25225 4000 1 11 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.447 -0.125 25225 4001 1 11 . 1 1 136 136 GLU CA C 136 53.456 53.456 55.833 -2.377 25225 4002 1 11 . 1 1 136 136 GLU CB C 136 32.388 32.388 32.040 0.348 25225 4003 1 11 . 1 1 136 136 GLU H H 136 8.424 8.424 7.843 0.581 25225 4004 1 11 . 1 1 137 137 ALA N N 137 124.105 124.105 126.992 -2.887 25225 4005 1 11 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.627 -0.339 25225 4006 1 11 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.688 -1.982 25225 4007 1 11 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.404 -3.111 25225 4008 1 11 . 1 1 137 137 ALA H H 137 8.292 8.292 8.217 0.075 25225 4009 1 11 . 1 1 138 138 GLU N N 138 117.459 117.459 117.947 -0.488 25225 4010 1 11 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.524 -0.262 25225 4011 1 11 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.452 -1.849 25225 4012 1 11 . 1 1 138 138 GLU CB C 138 26.856 26.856 30.616 -3.760 25225 4013 1 11 . 1 1 138 138 GLU H H 138 8.137 8.137 8.005 0.132 25225 4014 1 11 . 1 1 139 139 TYR N N 139 119.908 119.908 123.695 -3.787 25225 4015 1 11 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.745 0.051 25225 4016 1 11 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.336 -1.652 25225 4017 1 11 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.286 -2.897 25225 4018 1 11 . 1 1 139 139 TYR H H 139 7.916 7.916 8.615 -0.699 25225 4019 1 11 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.157 0.183 25225 4020 1 11 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.363 -1.694 25225 4021 1 11 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.147 -3.635 25225 4022 1 11 . 1 1 141 141 PHE N N 141 117.257 117.257 117.778 -0.521 25225 4023 1 11 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.329 0.274 25225 4024 1 11 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.282 -4.715 25225 4025 1 11 . 1 1 141 141 PHE CB C 141 35.676 35.676 38.824 -3.148 25225 4026 1 11 . 1 1 141 141 PHE H H 141 7.755 7.755 7.956 -0.201 25225 4027 1 11 . 1 1 142 142 ASN N N 142 118.560 118.560 116.616 1.944 25225 4028 1 11 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.876 -0.221 25225 4029 1 11 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.238 -2.928 25225 4030 1 11 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.509 -4.154 25225 4031 1 11 . 1 1 142 142 ASN H H 142 8.101 8.101 8.012 0.088 25225 4032 1 11 . 1 1 143 143 GLN N N 143 119.234 119.234 121.908 -2.674 25225 4033 1 11 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.519 -0.140 25225 4034 1 11 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.527 -3.605 25225 4035 1 11 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.155 -2.656 25225 4036 1 11 . 1 1 143 143 GLN H H 143 8.222 8.222 8.697 -0.475 25225 4037 1 11 . 1 1 144 144 SER N N 144 117.221 117.221 114.151 3.070 25225 4038 1 11 . 1 1 144 144 SER HA H 144 4.830 4.830 4.874 -0.044 25225 4039 1 11 . 1 1 144 144 SER CA C 144 53.218 53.218 56.952 -3.734 25225 4040 1 11 . 1 1 144 144 SER CB C 144 60.633 60.633 64.532 -3.899 25225 4041 1 11 . 1 1 144 144 SER H H 144 8.248 8.248 8.146 0.102 25225 4042 1 11 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.572 0.002 25225 4043 1 11 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.498 -2.458 25225 4044 1 11 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.194 -2.881 25225 4045 1 11 . 1 1 146 146 VAL N N 146 120.628 120.628 120.618 0.010 25225 4046 1 11 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.095 0.209 25225 4047 1 11 . 1 1 146 146 VAL CA C 146 58.340 58.340 62.019 -3.679 25225 4048 1 11 . 1 1 146 146 VAL CB C 146 30.060 30.060 32.169 -2.109 25225 4049 1 11 . 1 1 146 146 VAL H H 146 8.330 8.330 7.986 0.344 25225 4050 1 11 . 1 1 147 147 VAL N N 147 116.972 116.972 124.289 -7.317 25225 4051 1 11 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.117 1.587 25225 4052 1 11 . 1 1 147 147 VAL H H 147 9.040 9.040 8.346 0.694 25225 4053 1 11 . 1 1 148 148 THR N N 148 107.103 107.103 108.224 -1.121 25225 4054 1 11 . 1 1 148 148 THR HA H 148 4.906 4.906 4.462 0.444 25225 4055 1 11 . 1 1 148 148 THR CA C 148 58.020 58.020 61.708 -3.688 25225 4056 1 11 . 1 1 148 148 THR CB C 148 67.765 67.765 70.795 -3.030 25225 4057 1 11 . 1 1 148 148 THR H H 148 8.442 8.442 7.619 0.823 25225 4058 1 11 . 1 1 149 149 ARG N N 149 120.370 120.370 121.976 -1.606 25225 4059 1 11 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.963 0.668 25225 4060 1 11 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.557 -3.578 25225 4061 1 11 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.505 0.756 25225 4062 1 11 . 1 1 149 149 ARG H H 149 7.623 7.623 8.747 -1.124 25225 4063 1 11 . 1 1 150 150 SER N N 150 113.789 113.789 118.058 -4.269 25225 4064 1 11 . 1 1 150 150 SER HA H 150 4.790 4.790 4.808 -0.018 25225 4065 1 11 . 1 1 150 150 SER CA C 150 54.647 54.647 56.735 -2.088 25225 4066 1 11 . 1 1 150 150 SER CB C 150 63.412 63.412 66.367 -2.955 25225 4067 1 11 . 1 1 150 150 SER H H 150 8.709 8.709 7.983 0.726 25225 4068 1 11 . 1 1 151 151 CYS N N 151 120.824 120.824 120.162 0.662 25225 4069 1 11 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.409 0.732 25225 4070 1 11 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.401 -4.306 25225 4071 1 11 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.206 14.815 25225 4072 1 11 . 1 1 151 151 CYS H H 151 8.473 8.473 8.660 -0.187 25225 4073 1 11 . 1 1 152 152 SER N N 152 115.253 115.253 115.480 -0.227 25225 4074 1 11 . 1 1 152 152 SER HA H 152 4.834 4.834 4.693 0.141 25225 4075 1 11 . 1 1 152 152 SER CA C 152 54.771 54.771 56.989 -2.218 25225 4076 1 11 . 1 1 152 152 SER CB C 152 62.761 62.761 65.182 -2.421 25225 4077 1 11 . 1 1 152 152 SER H H 152 9.052 9.052 8.856 0.196 25225 4078 1 11 . 1 1 153 153 SER N N 153 120.787 120.787 116.039 4.748 25225 4079 1 11 . 1 1 153 153 SER HA H 153 4.930 4.930 4.931 -0.001 25225 4080 1 11 . 1 1 153 153 SER CA C 153 55.479 55.479 57.501 -2.022 25225 4081 1 11 . 1 1 153 153 SER CB C 153 61.137 61.137 63.316 -2.179 25225 4082 1 11 . 1 1 153 153 SER H H 153 8.783 8.783 8.861 -0.078 25225 4083 1 11 . 1 1 154 154 SER N N 154 117.808 117.808 115.239 2.569 25225 4084 1 11 . 1 1 154 154 SER HA H 154 4.555 4.555 4.615 -0.060 25225 4085 1 11 . 1 1 154 154 SER CA C 154 54.084 54.084 58.226 -4.142 25225 4086 1 11 . 1 1 154 154 SER CB C 154 60.141 60.141 63.184 -3.043 25225 4087 1 11 . 1 1 154 154 SER H H 154 8.300 8.300 7.660 0.640 25225 4088 1 11 . 1 1 155 155 CYS N N 155 125.978 125.978 125.504 0.474 25225 4089 1 11 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.381 -0.009 25225 4090 1 11 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.637 -3.999 25225 4091 1 11 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.184 12.116 25225 4092 1 11 . 1 1 155 155 CYS H H 155 8.668 8.668 8.972 -0.304 25225 4093 1 11 . 1 1 156 156 VAL N N 156 129.527 129.527 127.505 2.022 25225 4094 1 11 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.230 -0.065 25225 4095 1 11 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.222 -2.279 25225 4096 1 11 . 1 1 156 156 VAL CB C 156 30.381 30.381 36.275 -5.894 25225 4097 1 11 . 1 1 156 156 VAL H H 156 8.239 8.239 8.002 0.237 25225 4098 1 11 . 1 1 157 157 ALA N N 157 130.280 130.280 128.227 2.053 25225 4099 1 11 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.377 -0.235 25225 4100 1 11 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.110 -3.063 25225 4101 1 11 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.408 -2.841 25225 4102 1 11 . 1 1 157 157 ALA H H 157 8.414 8.414 8.459 -0.045 25225 4103 1 11 . 1 1 158 158 THR N N 158 115.127 115.127 121.163 -6.036 25225 4104 1 11 . 1 1 158 158 THR HA H 158 4.214 4.214 4.320 -0.106 25225 4105 1 11 . 1 1 158 158 THR CA C 158 59.207 59.207 62.295 -3.088 25225 4106 1 11 . 1 1 158 158 THR CB C 158 66.814 66.814 68.290 -1.476 25225 4107 1 11 . 1 1 158 158 THR H H 158 8.219 8.219 8.512 -0.293 25225 4108 1 11 . 1 1 159 159 ASP N N 159 125.274 125.274 124.502 0.772 25225 4109 1 11 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.039 -0.181 25225 4110 1 11 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.330 -2.014 25225 4111 1 11 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.536 -4.277 25225 4112 1 11 . 1 1 159 159 ASP H H 159 8.548 8.548 7.774 0.774 25225 4113 1 11 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.488 -0.108 25225 4114 1 11 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.851 -2.532 25225 4115 1 11 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.295 -3.293 25225 4116 1 11 . 1 1 161 161 ASP N N 161 116.981 116.981 118.515 -1.534 25225 4117 1 11 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.706 0.003 25225 4118 1 11 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.562 -3.179 25225 4119 1 11 . 1 1 161 161 ASP CB C 161 37.609 37.609 41.860 -4.251 25225 4120 1 11 . 1 1 161 161 ASP H H 161 8.402 8.402 7.794 0.608 25225 4121 1 11 . 1 1 162 162 SER N N 162 115.678 115.678 112.173 3.505 25225 4122 1 11 . 1 1 162 162 SER HA H 162 4.477 4.477 4.095 0.382 25225 4123 1 11 . 1 1 162 162 SER CA C 162 55.371 55.371 59.295 -3.924 25225 4124 1 11 . 1 1 162 162 SER CB C 162 60.763 60.763 62.726 -1.963 25225 4125 1 11 . 1 1 162 162 SER H H 162 7.865 7.865 8.874 -1.009 25225 4126 1 11 . 1 1 163 163 ILE N N 163 122.425 122.425 118.971 3.454 25225 4127 1 11 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.092 0.098 25225 4128 1 11 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.402 -3.863 25225 4129 1 11 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.252 -2.689 25225 4130 1 11 . 1 1 163 163 ILE H H 163 8.098 8.098 8.340 -0.242 25225 4131 1 11 . 1 1 164 164 GLY N N 164 112.830 112.830 106.276 6.554 25225 4132 1 11 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.718 -2.376 25225 4133 1 11 . 1 1 164 164 GLY H H 164 8.564 8.564 8.188 0.376 25225 4134 1 11 . 1 1 165 165 ALA N N 165 123.606 123.606 122.504 1.102 25225 4135 1 11 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.142 0.176 25225 4136 1 11 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.504 -3.316 25225 4137 1 11 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.534 -1.376 25225 4138 1 11 . 1 1 165 165 ALA H H 165 7.901 7.901 8.078 -0.177 25225 4139 1 11 . 1 1 166 166 ALA N N 166 122.736 122.736 119.799 2.937 25225 4140 1 11 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.094 0.138 25225 4141 1 11 . 1 1 166 166 ALA CA C 166 49.778 49.778 52.585 -2.807 25225 4142 1 11 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.308 -3.137 25225 4143 1 11 . 1 1 166 166 ALA H H 166 8.243 8.243 7.949 0.294 25225 4144 1 11 . 1 1 167 167 HIS N N 167 114.237 114.237 117.607 -3.370 25225 4145 1 11 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.673 0.314 25225 4146 1 11 . 1 1 167 167 HIS CA C 167 51.148 51.148 54.472 -3.324 25225 4147 1 11 . 1 1 167 167 HIS CB C 167 27.221 27.221 28.885 -1.664 25225 4148 1 11 . 1 1 167 167 HIS H H 167 7.931 7.931 7.687 0.244 25225 4149 1 11 . 1 1 168 168 LEU N N 168 123.034 123.034 126.322 -3.288 25225 4150 1 11 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.315 0.165 25225 4151 1 11 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.082 -2.038 25225 4152 1 11 . 1 1 168 168 LEU CB C 168 40.719 40.719 40.504 0.215 25225 4153 1 11 . 1 1 168 168 LEU H H 168 8.371 8.371 7.996 0.375 25225 4154 1 11 . 1 1 169 169 ILE N N 169 121.493 121.493 125.197 -3.704 25225 4155 1 11 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.118 0.789 25225 4156 1 11 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.984 -4.128 25225 4157 1 11 . 1 1 169 169 ILE CB C 169 37.464 37.464 36.684 0.780 25225 4158 1 11 . 1 1 169 169 ILE H H 169 8.097 8.097 7.754 0.343 25225 4159 1 11 . 1 1 170 170 PHE N N 170 125.500 125.500 127.439 -1.939 25225 4160 1 11 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.743 0.187 25225 4161 1 11 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.294 -5.491 25225 4162 1 11 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.968 -3.195 25225 4163 1 11 . 1 1 170 170 PHE H H 170 9.246 9.246 8.115 1.131 25225 4164 1 11 . 1 1 171 171 CYS N N 171 118.630 118.630 115.853 2.777 25225 4165 1 11 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.502 -0.141 25225 4166 1 11 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.137 -6.268 25225 4167 1 11 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.140 12.232 25225 4168 1 11 . 1 1 171 171 CYS H H 171 8.577 8.577 8.382 0.195 25225 4169 1 11 . 1 1 172 172 CYS N N 172 118.255 118.255 115.899 2.356 25225 4170 1 11 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.752 -0.293 25225 4171 1 11 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.509 -5.617 25225 4172 1 11 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.550 11.581 25225 4173 1 11 . 1 1 172 172 CYS H H 172 8.679 8.679 8.544 0.135 25225 4174 1 11 . 1 1 173 173 PHE N N 173 119.428 119.428 118.651 0.777 25225 4175 1 11 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.861 0.287 25225 4176 1 11 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.701 -2.458 25225 4177 1 11 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.896 -2.456 25225 4178 1 11 . 1 1 173 173 PHE H H 173 8.810 8.810 8.629 0.181 25225 4179 1 11 . 1 1 174 174 ARG N N 174 119.247 119.247 121.115 -1.868 25225 4180 1 11 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.624 0.150 25225 4181 1 11 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.803 -3.667 25225 4182 1 11 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.198 -1.969 25225 4183 1 11 . 1 1 174 174 ARG H H 174 7.450 7.450 7.804 -0.354 25225 4184 1 11 . 1 1 175 175 ASP N N 175 119.844 119.844 123.570 -3.726 25225 4185 1 11 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.856 -0.010 25225 4186 1 11 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.236 -2.722 25225 4187 1 11 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.409 -1.874 25225 4188 1 11 . 1 1 175 175 ASP H H 175 8.290 8.290 8.640 -0.350 25225 4189 1 11 . 1 1 176 176 LEU N N 176 114.448 114.448 118.815 -4.367 25225 4190 1 11 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.846 -0.502 25225 4191 1 11 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.278 -3.139 25225 4192 1 11 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.010 -5.124 25225 4193 1 11 . 1 1 176 176 LEU H H 176 9.298 9.298 8.834 0.464 25225 4194 1 11 . 1 1 177 177 CYS N N 177 112.101 112.101 115.360 -3.259 25225 4195 1 11 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.222 0.325 25225 4196 1 11 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.068 -6.536 25225 4197 1 11 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.203 14.379 25225 4198 1 11 . 1 1 177 177 CYS H H 177 7.834 7.834 7.957 -0.123 25225 4199 1 11 . 1 1 178 178 ASN N N 178 122.157 122.157 118.421 3.736 25225 4200 1 11 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.802 -0.024 25225 4201 1 11 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.346 -2.782 25225 4202 1 11 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.276 -7.138 25225 4203 1 11 . 1 1 178 178 ASN H H 178 9.014 9.014 7.959 1.055 25225 4204 1 11 . 1 1 179 179 SER N N 179 109.444 109.444 116.789 -7.345 25225 4205 1 11 . 1 1 179 179 SER HA H 179 3.945 3.945 3.796 0.149 25225 4206 1 11 . 1 1 179 179 SER CA C 179 55.092 55.092 58.952 -3.860 25225 4207 1 11 . 1 1 179 179 SER CB C 179 59.118 59.118 63.621 -4.503 25225 4208 1 11 . 1 1 179 179 SER H H 179 7.482 7.482 8.441 -0.959 25225 4209 1 11 . 1 1 180 180 GLU N N 180 120.035 120.035 121.444 -1.409 25225 4210 1 11 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.258 0.101 25225 4211 1 11 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.263 -4.037 25225 4212 1 11 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.236 -1.797 25225 4213 1 11 . 1 1 180 180 GLU H H 180 7.936 7.936 7.980 -0.044 25225 4214 1 12 . 1 1 101 101 LEU N N 101 127.862 127.862 124.210 3.652 25225 4215 1 12 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.613 0.021 25225 4216 1 12 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.708 -2.832 25225 4217 1 12 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.379 -0.358 25225 4218 1 12 . 1 1 101 101 LEU H H 101 8.754 8.754 8.594 0.160 25225 4219 1 12 . 1 1 102 102 LYS N N 102 121.006 121.006 126.156 -5.150 25225 4220 1 12 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.096 0.165 25225 4221 1 12 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.371 -3.779 25225 4222 1 12 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.602 -3.583 25225 4223 1 12 . 1 1 102 102 LYS H H 102 7.879 7.879 8.171 -0.292 25225 4224 1 12 . 1 1 103 103 CYS N N 103 117.708 117.708 121.090 -3.382 25225 4225 1 12 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.763 0.183 25225 4226 1 12 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.164 -9.166 25225 4227 1 12 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.826 8.086 25225 4228 1 12 . 1 1 103 103 CYS H H 103 8.427 8.427 8.555 -0.128 25225 4229 1 12 . 1 1 104 104 TYR N N 104 121.098 121.098 122.779 -1.681 25225 4230 1 12 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.606 0.530 25225 4231 1 12 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.127 -2.585 25225 4232 1 12 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.685 -1.903 25225 4233 1 12 . 1 1 104 104 TYR H H 104 8.442 8.442 9.174 -0.732 25225 4234 1 12 . 1 1 105 105 THR N N 105 110.634 110.634 113.231 -2.597 25225 4235 1 12 . 1 1 105 105 THR HA H 105 4.624 4.624 4.996 -0.372 25225 4236 1 12 . 1 1 105 105 THR CA C 105 57.375 57.375 60.309 -2.934 25225 4237 1 12 . 1 1 105 105 THR CB C 105 70.082 70.082 70.345 -0.263 25225 4238 1 12 . 1 1 105 105 THR H H 105 9.312 9.312 7.899 1.413 25225 4239 1 12 . 1 1 106 106 CYS N N 106 109.134 109.134 124.112 -14.978 25225 4240 1 12 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.693 0.149 25225 4241 1 12 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.674 -2.440 25225 4242 1 12 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.397 13.701 25225 4243 1 12 . 1 1 106 106 CYS H H 106 8.260 8.260 8.381 -0.121 25225 4244 1 12 . 1 1 107 107 LYS N N 107 120.821 120.821 121.192 -0.371 25225 4245 1 12 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.332 0.036 25225 4246 1 12 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.190 -2.981 25225 4247 1 12 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.701 -2.134 25225 4248 1 12 . 1 1 107 107 LYS H H 107 8.624 8.624 8.763 -0.139 25225 4249 1 12 . 1 1 108 108 GLU N N 108 118.533 118.533 119.399 -0.866 25225 4250 1 12 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.611 0.117 25225 4251 1 12 . 1 1 108 108 GLU CA C 108 49.712 49.712 54.123 -4.410 25225 4252 1 12 . 1 1 108 108 GLU CB C 108 27.002 27.002 31.360 -4.358 25225 4253 1 12 . 1 1 108 108 GLU H H 108 7.627 7.627 7.726 -0.099 25225 4254 1 12 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.402 0.155 25225 4255 1 12 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.263 -3.630 25225 4256 1 12 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.551 -2.979 25225 4257 1 12 . 1 1 110 110 MET N N 110 122.942 122.942 124.433 -1.491 25225 4258 1 12 . 1 1 110 110 MET HA H 110 4.827 4.827 4.767 0.060 25225 4259 1 12 . 1 1 110 110 MET CA C 110 51.502 51.502 54.314 -2.812 25225 4260 1 12 . 1 1 110 110 MET CB C 110 34.636 34.636 36.533 -1.897 25225 4261 1 12 . 1 1 110 110 MET H H 110 9.017 9.017 7.627 1.390 25225 4262 1 12 . 1 1 111 111 THR N N 111 110.441 110.441 112.708 -2.267 25225 4263 1 12 . 1 1 111 111 THR HA H 111 4.534 4.534 4.388 0.146 25225 4264 1 12 . 1 1 111 111 THR CA C 111 59.025 59.025 63.769 -4.744 25225 4265 1 12 . 1 1 111 111 THR H H 111 8.282 8.282 8.325 -0.043 25225 4266 1 12 . 1 1 112 112 SER N N 112 115.495 115.495 117.476 -1.981 25225 4267 1 12 . 1 1 112 112 SER HA H 112 3.890 3.890 4.136 -0.246 25225 4268 1 12 . 1 1 112 112 SER CA C 112 57.930 57.930 59.535 -1.605 25225 4269 1 12 . 1 1 112 112 SER CB C 112 59.493 59.493 62.852 -3.359 25225 4270 1 12 . 1 1 112 112 SER H H 112 8.739 8.739 8.064 0.675 25225 4271 1 12 . 1 1 113 113 ALA N N 113 119.080 119.080 124.545 -5.465 25225 4272 1 12 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.332 -0.317 25225 4273 1 12 . 1 1 113 113 ALA H H 113 8.374 8.374 7.827 0.547 25225 4274 1 12 . 1 1 114 114 SER N N 114 110.843 110.843 117.583 -6.740 25225 4275 1 12 . 1 1 114 114 SER HA H 114 4.515 4.515 4.251 0.264 25225 4276 1 12 . 1 1 114 114 SER CA C 114 55.891 55.891 58.931 -3.041 25225 4277 1 12 . 1 1 114 114 SER CB C 114 61.376 61.376 63.239 -1.863 25225 4278 1 12 . 1 1 114 114 SER H H 114 7.561 7.561 8.444 -0.883 25225 4279 1 12 . 1 1 115 115 CYS N N 115 124.537 124.537 127.555 -3.018 25225 4280 1 12 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.256 0.825 25225 4281 1 12 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.197 -5.970 25225 4282 1 12 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.981 16.083 25225 4283 1 12 . 1 1 115 115 CYS H H 115 7.576 7.576 8.819 -1.243 25225 4284 1 12 . 1 1 116 116 ARG N N 116 121.872 121.872 127.828 -5.956 25225 4285 1 12 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.544 -0.049 25225 4286 1 12 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.719 -3.816 25225 4287 1 12 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.515 -3.907 25225 4288 1 12 . 1 1 116 116 ARG H H 116 7.869 7.869 7.911 -0.042 25225 4289 1 12 . 1 1 117 117 THR N N 117 119.541 119.541 117.784 1.757 25225 4290 1 12 . 1 1 117 117 THR HA H 117 4.311 4.311 4.634 -0.323 25225 4291 1 12 . 1 1 117 117 THR CA C 117 61.472 61.472 61.688 -0.216 25225 4292 1 12 . 1 1 117 117 THR CB C 117 65.543 65.543 71.498 -5.955 25225 4293 1 12 . 1 1 117 117 THR H H 117 8.309 8.309 8.428 -0.119 25225 4294 1 12 . 1 1 118 118 ILE N N 118 129.953 129.953 126.371 3.582 25225 4295 1 12 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.761 0.163 25225 4296 1 12 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.081 -1.730 25225 4297 1 12 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.518 -2.783 25225 4298 1 12 . 1 1 118 118 ILE H H 118 8.949 8.949 8.592 0.357 25225 4299 1 12 . 1 1 119 119 THR N N 119 126.753 126.753 123.266 3.487 25225 4300 1 12 . 1 1 119 119 THR HA H 119 4.475 4.475 4.614 -0.139 25225 4301 1 12 . 1 1 119 119 THR CA C 119 58.200 58.200 60.447 -2.247 25225 4302 1 12 . 1 1 119 119 THR CB C 119 67.794 67.794 71.881 -4.087 25225 4303 1 12 . 1 1 119 119 THR H H 119 8.711 8.711 8.225 0.486 25225 4304 1 12 . 1 1 120 120 ARG N N 120 126.298 126.298 124.209 2.089 25225 4305 1 12 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.470 -0.177 25225 4306 1 12 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.956 -2.576 25225 4307 1 12 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.916 -3.276 25225 4308 1 12 . 1 1 120 120 ARG H H 120 8.549 8.549 8.441 0.108 25225 4309 1 12 . 1 1 121 121 CYS N N 121 125.959 125.959 125.278 0.681 25225 4310 1 12 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.342 0.432 25225 4311 1 12 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.984 -10.097 25225 4312 1 12 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.041 5.628 25225 4313 1 12 . 1 1 121 121 CYS H H 121 8.747 8.747 8.700 0.047 25225 4314 1 12 . 1 1 122 122 LYS N N 122 119.892 119.892 122.518 -2.626 25225 4315 1 12 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.554 -0.065 25225 4316 1 12 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.535 -1.754 25225 4317 1 12 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.945 -4.487 25225 4318 1 12 . 1 1 122 122 LYS H H 122 8.576 8.576 8.455 0.121 25225 4319 1 12 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.346 -0.097 25225 4320 1 12 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.691 -1.682 25225 4321 1 12 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.083 -3.395 25225 4322 1 12 . 1 1 124 124 GLU N N 124 112.877 112.877 118.154 -5.277 25225 4323 1 12 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.350 -0.128 25225 4324 1 12 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.825 -2.805 25225 4325 1 12 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.064 -3.292 25225 4326 1 12 . 1 1 124 124 GLU H H 124 8.892 8.892 8.572 0.320 25225 4327 1 12 . 1 1 125 125 ASP N N 125 120.983 120.983 118.963 2.020 25225 4328 1 12 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.747 -0.233 25225 4329 1 12 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.739 -1.577 25225 4330 1 12 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.685 -4.610 25225 4331 1 12 . 1 1 125 125 ASP H H 125 7.675 7.675 7.524 0.151 25225 4332 1 12 . 1 1 126 126 THR N N 126 110.714 110.714 109.475 1.239 25225 4333 1 12 . 1 1 126 126 THR HA H 126 4.445 4.445 4.465 -0.020 25225 4334 1 12 . 1 1 126 126 THR CA C 126 57.795 57.795 62.522 -4.726 25225 4335 1 12 . 1 1 126 126 THR CB C 126 68.080 68.080 71.388 -3.308 25225 4336 1 12 . 1 1 126 126 THR H H 126 8.139 8.139 8.688 -0.549 25225 4337 1 12 . 1 1 127 127 ALA N N 127 123.060 123.060 123.844 -0.784 25225 4338 1 12 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.710 0.259 25225 4339 1 12 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.268 -2.442 25225 4340 1 12 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.126 -0.115 25225 4341 1 12 . 1 1 127 127 ALA H H 127 8.408 8.408 7.755 0.653 25225 4342 1 12 . 1 1 128 128 CYS N N 128 115.816 115.816 116.511 -0.695 25225 4343 1 12 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.707 0.698 25225 4344 1 12 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.931 -9.793 25225 4345 1 12 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.479 3.249 25225 4346 1 12 . 1 1 128 128 CYS H H 128 8.764 8.764 8.634 0.130 25225 4347 1 12 . 1 1 129 129 MET N N 129 126.078 126.078 119.461 6.617 25225 4348 1 12 . 1 1 129 129 MET HA H 129 5.485 5.485 4.757 0.728 25225 4349 1 12 . 1 1 129 129 MET CA C 129 51.630 51.630 55.029 -3.399 25225 4350 1 12 . 1 1 129 129 MET CB C 129 35.308 35.308 37.182 -1.874 25225 4351 1 12 . 1 1 129 129 MET H H 129 9.366 9.366 8.838 0.528 25225 4352 1 12 . 1 1 130 130 THR N N 130 123.706 123.706 119.035 4.671 25225 4353 1 12 . 1 1 130 130 THR HA H 130 5.177 5.177 4.715 0.462 25225 4354 1 12 . 1 1 130 130 THR CA C 130 59.260 59.260 61.597 -2.337 25225 4355 1 12 . 1 1 130 130 THR CB C 130 68.549 68.549 71.848 -3.299 25225 4356 1 12 . 1 1 130 130 THR H H 130 8.903 8.903 7.769 1.134 25225 4357 1 12 . 1 1 131 131 THR N N 131 123.644 123.644 123.232 0.412 25225 4358 1 12 . 1 1 131 131 THR HA H 131 5.110 5.110 5.007 0.103 25225 4359 1 12 . 1 1 131 131 THR CA C 131 58.370 58.370 61.977 -3.607 25225 4360 1 12 . 1 1 131 131 THR CB C 131 66.519 66.519 69.095 -2.576 25225 4361 1 12 . 1 1 131 131 THR H H 131 9.284 9.284 8.571 0.713 25225 4362 1 12 . 1 1 132 132 LEU N N 132 128.424 128.424 128.603 -0.179 25225 4363 1 12 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.772 -0.023 25225 4364 1 12 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.857 -1.941 25225 4365 1 12 . 1 1 132 132 LEU CB C 132 40.734 40.734 44.717 -3.983 25225 4366 1 12 . 1 1 132 132 LEU H H 132 9.132 9.132 8.597 0.535 25225 4367 1 12 . 1 1 133 133 VAL N N 133 126.950 126.950 124.078 2.872 25225 4368 1 12 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.416 -0.343 25225 4369 1 12 . 1 1 133 133 VAL CA C 133 60.262 60.262 62.311 -2.049 25225 4370 1 12 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.020 -3.432 25225 4371 1 12 . 1 1 133 133 VAL H H 133 8.781 8.781 8.320 0.461 25225 4372 1 12 . 1 1 134 134 THR N N 134 115.286 115.286 124.296 -9.010 25225 4373 1 12 . 1 1 134 134 THR HA H 134 4.473 4.473 4.600 -0.127 25225 4374 1 12 . 1 1 134 134 THR CA C 134 58.340 58.340 62.026 -3.686 25225 4375 1 12 . 1 1 134 134 THR CB C 134 66.590 66.590 68.523 -1.933 25225 4376 1 12 . 1 1 134 134 THR H H 134 7.870 7.870 8.285 -0.415 25225 4377 1 12 . 1 1 135 135 VAL N N 135 121.196 121.196 122.525 -1.329 25225 4378 1 12 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.548 -0.257 25225 4379 1 12 . 1 1 135 135 VAL CA C 135 58.549 58.549 59.881 -1.332 25225 4380 1 12 . 1 1 135 135 VAL CB C 135 30.204 30.204 34.156 -3.952 25225 4381 1 12 . 1 1 135 135 VAL H H 135 8.142 8.142 8.204 -0.062 25225 4382 1 12 . 1 1 136 136 GLU N N 136 123.911 123.911 120.465 3.446 25225 4383 1 12 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.602 -0.280 25225 4384 1 12 . 1 1 136 136 GLU CA C 136 53.456 53.456 55.950 -2.494 25225 4385 1 12 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.487 1.901 25225 4386 1 12 . 1 1 136 136 GLU H H 136 8.424 8.424 8.421 0.003 25225 4387 1 12 . 1 1 137 137 ALA N N 137 124.105 124.105 125.275 -1.170 25225 4388 1 12 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.322 -0.034 25225 4389 1 12 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.810 -2.103 25225 4390 1 12 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.752 -3.459 25225 4391 1 12 . 1 1 137 137 ALA H H 137 8.292 8.292 8.069 0.223 25225 4392 1 12 . 1 1 138 138 GLU N N 138 117.459 117.459 122.454 -4.995 25225 4393 1 12 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.102 0.160 25225 4394 1 12 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.301 -3.698 25225 4395 1 12 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.852 -2.996 25225 4396 1 12 . 1 1 138 138 GLU H H 138 8.137 8.137 8.749 -0.612 25225 4397 1 12 . 1 1 139 139 TYR N N 139 119.908 119.908 119.886 0.022 25225 4398 1 12 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.817 -0.021 25225 4399 1 12 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.223 -1.539 25225 4400 1 12 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.162 -2.773 25225 4401 1 12 . 1 1 139 139 TYR H H 139 7.916 7.916 7.727 0.189 25225 4402 1 12 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.459 -0.119 25225 4403 1 12 . 1 1 140 140 PRO CA C 140 60.669 60.669 64.240 -3.571 25225 4404 1 12 . 1 1 140 140 PRO CB C 140 28.512 28.512 31.712 -3.200 25225 4405 1 12 . 1 1 141 141 PHE N N 141 117.257 117.257 116.840 0.417 25225 4406 1 12 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.596 0.007 25225 4407 1 12 . 1 1 141 141 PHE CA C 141 54.567 54.567 59.224 -4.657 25225 4408 1 12 . 1 1 141 141 PHE CB C 141 35.676 35.676 38.424 -2.748 25225 4409 1 12 . 1 1 141 141 PHE H H 141 7.755 7.755 7.870 -0.115 25225 4410 1 12 . 1 1 142 142 ASN N N 142 118.560 118.560 116.449 2.111 25225 4411 1 12 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.820 -0.165 25225 4412 1 12 . 1 1 142 142 ASN CA C 142 50.310 50.310 54.022 -3.712 25225 4413 1 12 . 1 1 142 142 ASN CB C 142 35.355 35.355 40.129 -4.774 25225 4414 1 12 . 1 1 142 142 ASN H H 142 8.101 8.101 7.780 0.321 25225 4415 1 12 . 1 1 143 143 GLN N N 143 119.234 119.234 117.512 1.722 25225 4416 1 12 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.684 -0.305 25225 4417 1 12 . 1 1 143 143 GLN CA C 143 52.922 52.922 54.671 -1.749 25225 4418 1 12 . 1 1 143 143 GLN CB C 143 26.499 26.499 32.947 -6.448 25225 4419 1 12 . 1 1 143 143 GLN H H 143 8.222 8.222 7.955 0.267 25225 4420 1 12 . 1 1 144 144 SER N N 144 117.221 117.221 114.841 2.380 25225 4421 1 12 . 1 1 144 144 SER HA H 144 4.830 4.830 4.611 0.219 25225 4422 1 12 . 1 1 144 144 SER CA C 144 53.218 53.218 56.937 -3.719 25225 4423 1 12 . 1 1 144 144 SER CB C 144 60.633 60.633 63.132 -2.499 25225 4424 1 12 . 1 1 144 144 SER H H 144 8.248 8.248 8.353 -0.105 25225 4425 1 12 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.663 -0.089 25225 4426 1 12 . 1 1 145 145 PRO CA C 145 60.040 60.040 63.116 -3.076 25225 4427 1 12 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.643 -3.330 25225 4428 1 12 . 1 1 146 146 VAL N N 146 120.628 120.628 117.051 3.577 25225 4429 1 12 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.492 -0.188 25225 4430 1 12 . 1 1 146 146 VAL CA C 146 58.340 58.340 59.204 -0.864 25225 4431 1 12 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.223 -4.163 25225 4432 1 12 . 1 1 146 146 VAL H H 146 8.330 8.330 7.866 0.464 25225 4433 1 12 . 1 1 147 147 VAL N N 147 116.972 116.972 116.157 0.815 25225 4434 1 12 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.937 0.767 25225 4435 1 12 . 1 1 147 147 VAL H H 147 9.040 9.040 8.051 0.989 25225 4436 1 12 . 1 1 148 148 THR N N 148 107.103 107.103 111.504 -4.401 25225 4437 1 12 . 1 1 148 148 THR HA H 148 4.906 4.906 4.660 0.246 25225 4438 1 12 . 1 1 148 148 THR CA C 148 58.020 58.020 61.357 -3.337 25225 4439 1 12 . 1 1 148 148 THR CB C 148 67.765 67.765 70.722 -2.958 25225 4440 1 12 . 1 1 148 148 THR H H 148 8.442 8.442 8.083 0.359 25225 4441 1 12 . 1 1 149 149 ARG N N 149 120.370 120.370 128.331 -7.961 25225 4442 1 12 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.924 0.707 25225 4443 1 12 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.278 -3.299 25225 4444 1 12 . 1 1 149 149 ARG CB C 149 33.261 33.261 31.642 1.619 25225 4445 1 12 . 1 1 149 149 ARG H H 149 7.623 7.623 8.728 -1.105 25225 4446 1 12 . 1 1 150 150 SER N N 150 113.789 113.789 118.905 -5.116 25225 4447 1 12 . 1 1 150 150 SER HA H 150 4.790 4.790 4.817 -0.027 25225 4448 1 12 . 1 1 150 150 SER CA C 150 54.647 54.647 56.132 -1.485 25225 4449 1 12 . 1 1 150 150 SER CB C 150 63.412 63.412 66.487 -3.075 25225 4450 1 12 . 1 1 150 150 SER H H 150 8.709 8.709 7.970 0.739 25225 4451 1 12 . 1 1 151 151 CYS N N 151 120.824 120.824 120.757 0.067 25225 4452 1 12 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.424 0.717 25225 4453 1 12 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.376 -4.281 25225 4454 1 12 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.381 13.640 25225 4455 1 12 . 1 1 151 151 CYS H H 151 8.473 8.473 8.697 -0.224 25225 4456 1 12 . 1 1 152 152 SER N N 152 115.253 115.253 115.058 0.195 25225 4457 1 12 . 1 1 152 152 SER HA H 152 4.834 4.834 4.774 0.060 25225 4458 1 12 . 1 1 152 152 SER CA C 152 54.771 54.771 56.794 -2.023 25225 4459 1 12 . 1 1 152 152 SER CB C 152 62.761 62.761 64.356 -1.595 25225 4460 1 12 . 1 1 152 152 SER H H 152 9.052 9.052 8.872 0.180 25225 4461 1 12 . 1 1 153 153 SER N N 153 120.787 120.787 116.167 4.620 25225 4462 1 12 . 1 1 153 153 SER HA H 153 4.930 4.930 4.916 0.014 25225 4463 1 12 . 1 1 153 153 SER CA C 153 55.479 55.479 57.538 -2.059 25225 4464 1 12 . 1 1 153 153 SER CB C 153 61.137 61.137 64.268 -3.131 25225 4465 1 12 . 1 1 153 153 SER H H 153 8.783 8.783 8.854 -0.071 25225 4466 1 12 . 1 1 154 154 SER N N 154 117.808 117.808 116.559 1.249 25225 4467 1 12 . 1 1 154 154 SER HA H 154 4.555 4.555 4.700 -0.145 25225 4468 1 12 . 1 1 154 154 SER CA C 154 54.084 54.084 58.074 -3.990 25225 4469 1 12 . 1 1 154 154 SER CB C 154 60.141 60.141 64.146 -4.005 25225 4470 1 12 . 1 1 154 154 SER H H 154 8.300 8.300 7.640 0.660 25225 4471 1 12 . 1 1 155 155 CYS N N 155 125.978 125.978 125.948 0.030 25225 4472 1 12 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.361 0.011 25225 4473 1 12 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.618 -3.980 25225 4474 1 12 . 1 1 155 155 CYS CB C 155 37.300 37.300 24.905 12.395 25225 4475 1 12 . 1 1 155 155 CYS H H 155 8.668 8.668 8.823 -0.155 25225 4476 1 12 . 1 1 156 156 VAL N N 156 129.527 129.527 125.854 3.673 25225 4477 1 12 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.404 -0.239 25225 4478 1 12 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.194 -1.250 25225 4479 1 12 . 1 1 156 156 VAL CB C 156 30.381 30.381 33.883 -3.502 25225 4480 1 12 . 1 1 156 156 VAL H H 156 8.239 8.239 7.921 0.318 25225 4481 1 12 . 1 1 157 157 ALA N N 157 130.280 130.280 128.717 1.563 25225 4482 1 12 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.391 -0.249 25225 4483 1 12 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.314 -3.267 25225 4484 1 12 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.251 -2.684 25225 4485 1 12 . 1 1 157 157 ALA H H 157 8.414 8.414 8.076 0.338 25225 4486 1 12 . 1 1 158 158 THR N N 158 115.127 115.127 115.340 -0.213 25225 4487 1 12 . 1 1 158 158 THR HA H 158 4.214 4.214 4.308 -0.094 25225 4488 1 12 . 1 1 158 158 THR CA C 158 59.207 59.207 61.251 -2.044 25225 4489 1 12 . 1 1 158 158 THR CB C 158 66.814 66.814 68.354 -1.540 25225 4490 1 12 . 1 1 158 158 THR H H 158 8.219 8.219 8.260 -0.041 25225 4491 1 12 . 1 1 159 159 ASP N N 159 125.274 125.274 127.034 -1.760 25225 4492 1 12 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.927 -0.069 25225 4493 1 12 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.477 -3.162 25225 4494 1 12 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.277 -4.017 25225 4495 1 12 . 1 1 159 159 ASP H H 159 8.548 8.548 7.908 0.640 25225 4496 1 12 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.399 -0.019 25225 4497 1 12 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.731 -2.412 25225 4498 1 12 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.207 -3.205 25225 4499 1 12 . 1 1 161 161 ASP N N 161 116.981 116.981 119.110 -2.129 25225 4500 1 12 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.572 0.137 25225 4501 1 12 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.243 -2.860 25225 4502 1 12 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.627 -3.018 25225 4503 1 12 . 1 1 161 161 ASP H H 161 8.402 8.402 8.490 -0.088 25225 4504 1 12 . 1 1 162 162 SER N N 162 115.678 115.678 111.819 3.859 25225 4505 1 12 . 1 1 162 162 SER HA H 162 4.477 4.477 4.403 0.074 25225 4506 1 12 . 1 1 162 162 SER CA C 162 55.371 55.371 58.580 -3.209 25225 4507 1 12 . 1 1 162 162 SER CB C 162 60.763 60.763 62.526 -1.764 25225 4508 1 12 . 1 1 162 162 SER H H 162 7.865 7.865 8.184 -0.319 25225 4509 1 12 . 1 1 163 163 ILE N N 163 122.425 122.425 118.861 3.564 25225 4510 1 12 . 1 1 163 163 ILE HA H 163 4.190 4.190 3.957 0.233 25225 4511 1 12 . 1 1 163 163 ILE CA C 163 58.539 58.539 63.085 -4.546 25225 4512 1 12 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.068 -2.505 25225 4513 1 12 . 1 1 163 163 ILE H H 163 8.098 8.098 7.924 0.174 25225 4514 1 12 . 1 1 164 164 GLY N N 164 112.830 112.830 108.198 4.632 25225 4515 1 12 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.031 -2.688 25225 4516 1 12 . 1 1 164 164 GLY H H 164 8.564 8.564 7.893 0.671 25225 4517 1 12 . 1 1 165 165 ALA N N 165 123.606 123.606 122.463 1.143 25225 4518 1 12 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.046 0.272 25225 4519 1 12 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.144 -2.955 25225 4520 1 12 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.858 -1.700 25225 4521 1 12 . 1 1 165 165 ALA H H 165 7.901 7.901 8.121 -0.220 25225 4522 1 12 . 1 1 166 166 ALA N N 166 122.736 122.736 119.040 3.696 25225 4523 1 12 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.052 0.180 25225 4524 1 12 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.001 -3.223 25225 4525 1 12 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.228 -3.057 25225 4526 1 12 . 1 1 166 166 ALA H H 166 8.243 8.243 7.603 0.640 25225 4527 1 12 . 1 1 167 167 HIS N N 167 114.237 114.237 117.010 -2.773 25225 4528 1 12 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.661 0.326 25225 4529 1 12 . 1 1 167 167 HIS CA C 167 51.148 51.148 54.433 -3.285 25225 4530 1 12 . 1 1 167 167 HIS CB C 167 27.221 27.221 29.662 -2.441 25225 4531 1 12 . 1 1 167 167 HIS H H 167 7.931 7.931 7.579 0.352 25225 4532 1 12 . 1 1 168 168 LEU N N 168 123.034 123.034 126.661 -3.627 25225 4533 1 12 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.423 0.057 25225 4534 1 12 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.580 -2.536 25225 4535 1 12 . 1 1 168 168 LEU CB C 168 40.719 40.719 40.826 -0.107 25225 4536 1 12 . 1 1 168 168 LEU H H 168 8.371 8.371 8.227 0.144 25225 4537 1 12 . 1 1 169 169 ILE N N 169 121.493 121.493 125.666 -4.173 25225 4538 1 12 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.698 0.209 25225 4539 1 12 . 1 1 169 169 ILE CA C 169 56.856 56.856 61.077 -4.221 25225 4540 1 12 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.732 -0.268 25225 4541 1 12 . 1 1 169 169 ILE H H 169 8.097 8.097 8.109 -0.012 25225 4542 1 12 . 1 1 170 170 PHE N N 170 125.500 125.500 129.231 -3.731 25225 4543 1 12 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.747 0.183 25225 4544 1 12 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.244 -4.441 25225 4545 1 12 . 1 1 170 170 PHE CB C 170 38.773 38.773 40.857 -2.084 25225 4546 1 12 . 1 1 170 170 PHE H H 170 9.246 9.246 9.102 0.144 25225 4547 1 12 . 1 1 171 171 CYS N N 171 118.630 118.630 119.223 -0.593 25225 4548 1 12 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.338 0.023 25225 4549 1 12 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.296 -5.427 25225 4550 1 12 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.111 13.260 25225 4551 1 12 . 1 1 171 171 CYS H H 171 8.577 8.577 8.446 0.131 25225 4552 1 12 . 1 1 172 172 CYS N N 172 118.255 118.255 116.457 1.798 25225 4553 1 12 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.476 -0.017 25225 4554 1 12 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.096 -5.204 25225 4555 1 12 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.578 11.553 25225 4556 1 12 . 1 1 172 172 CYS H H 172 8.679 8.679 8.308 0.371 25225 4557 1 12 . 1 1 173 173 PHE N N 173 119.428 119.428 117.747 1.681 25225 4558 1 12 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.888 0.260 25225 4559 1 12 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.396 -2.153 25225 4560 1 12 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.778 -2.338 25225 4561 1 12 . 1 1 173 173 PHE H H 173 8.810 8.810 8.529 0.281 25225 4562 1 12 . 1 1 174 174 ARG N N 174 119.247 119.247 121.340 -2.093 25225 4563 1 12 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.609 0.165 25225 4564 1 12 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.617 -3.481 25225 4565 1 12 . 1 1 174 174 ARG CB C 174 31.229 31.229 32.879 -1.650 25225 4566 1 12 . 1 1 174 174 ARG H H 174 7.450 7.450 7.777 -0.327 25225 4567 1 12 . 1 1 175 175 ASP N N 175 119.844 119.844 123.374 -3.530 25225 4568 1 12 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.832 0.014 25225 4569 1 12 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.231 -2.717 25225 4570 1 12 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.404 -1.869 25225 4571 1 12 . 1 1 175 175 ASP H H 175 8.290 8.290 8.636 -0.346 25225 4572 1 12 . 1 1 176 176 LEU N N 176 114.448 114.448 118.799 -4.351 25225 4573 1 12 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.790 -0.446 25225 4574 1 12 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.249 -3.110 25225 4575 1 12 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.035 -5.149 25225 4576 1 12 . 1 1 176 176 LEU H H 176 9.298 9.298 8.813 0.485 25225 4577 1 12 . 1 1 177 177 CYS N N 177 112.101 112.101 115.461 -3.360 25225 4578 1 12 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.226 0.321 25225 4579 1 12 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.162 -6.630 25225 4580 1 12 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.113 14.469 25225 4581 1 12 . 1 1 177 177 CYS H H 177 7.834 7.834 7.963 -0.129 25225 4582 1 12 . 1 1 178 178 ASN N N 178 122.157 122.157 119.104 3.053 25225 4583 1 12 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.811 -0.033 25225 4584 1 12 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.403 -2.838 25225 4585 1 12 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.771 -7.633 25225 4586 1 12 . 1 1 178 178 ASN H H 178 9.014 9.014 7.877 1.137 25225 4587 1 12 . 1 1 179 179 SER N N 179 109.444 109.444 116.346 -6.902 25225 4588 1 12 . 1 1 179 179 SER HA H 179 3.945 3.945 4.001 -0.056 25225 4589 1 12 . 1 1 179 179 SER CA C 179 55.092 55.092 58.886 -3.793 25225 4590 1 12 . 1 1 179 179 SER CB C 179 59.118 59.118 63.625 -4.507 25225 4591 1 12 . 1 1 179 179 SER H H 179 7.482 7.482 8.528 -1.046 25225 4592 1 12 . 1 1 180 180 GLU N N 180 120.035 120.035 121.199 -1.164 25225 4593 1 12 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.198 0.161 25225 4594 1 12 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.195 -3.969 25225 4595 1 12 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.237 -1.798 25225 4596 1 12 . 1 1 180 180 GLU H H 180 7.936 7.936 8.102 -0.166 25225 4597 1 13 . 1 1 101 101 LEU N N 101 127.862 127.862 123.819 4.043 25225 4598 1 13 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.532 0.102 25225 4599 1 13 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.903 -3.027 25225 4600 1 13 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.247 -0.226 25225 4601 1 13 . 1 1 101 101 LEU H H 101 8.754 8.754 8.608 0.146 25225 4602 1 13 . 1 1 102 102 LYS N N 102 121.006 121.006 126.109 -5.103 25225 4603 1 13 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.072 0.189 25225 4604 1 13 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.484 -3.892 25225 4605 1 13 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.865 -3.846 25225 4606 1 13 . 1 1 102 102 LYS H H 102 7.879 7.879 8.632 -0.753 25225 4607 1 13 . 1 1 103 103 CYS N N 103 117.708 117.708 119.757 -2.049 25225 4608 1 13 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.723 0.223 25225 4609 1 13 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.591 -9.593 25225 4610 1 13 . 1 1 103 103 CYS CB C 103 38.912 38.912 32.271 6.641 25225 4611 1 13 . 1 1 103 103 CYS H H 103 8.427 8.427 8.373 0.054 25225 4612 1 13 . 1 1 104 104 TYR N N 104 121.098 121.098 121.596 -0.498 25225 4613 1 13 . 1 1 104 104 TYR HA H 104 5.136 5.136 5.014 0.122 25225 4614 1 13 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.723 -3.181 25225 4615 1 13 . 1 1 104 104 TYR CB C 104 34.783 34.783 38.080 -3.297 25225 4616 1 13 . 1 1 104 104 TYR H H 104 8.442 8.442 9.225 -0.783 25225 4617 1 13 . 1 1 105 105 THR N N 105 110.634 110.634 117.455 -6.821 25225 4618 1 13 . 1 1 105 105 THR HA H 105 4.624 4.624 4.809 -0.185 25225 4619 1 13 . 1 1 105 105 THR CA C 105 57.375 57.375 60.267 -2.892 25225 4620 1 13 . 1 1 105 105 THR CB C 105 70.082 70.082 70.865 -0.783 25225 4621 1 13 . 1 1 105 105 THR H H 105 9.312 9.312 8.907 0.405 25225 4622 1 13 . 1 1 106 106 CYS N N 106 109.134 109.134 124.044 -14.910 25225 4623 1 13 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.777 0.065 25225 4624 1 13 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.084 -2.850 25225 4625 1 13 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.554 13.544 25225 4626 1 13 . 1 1 106 106 CYS H H 106 8.260 8.260 8.847 -0.587 25225 4627 1 13 . 1 1 107 107 LYS N N 107 120.821 120.821 119.561 1.260 25225 4628 1 13 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.335 0.033 25225 4629 1 13 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.358 -3.149 25225 4630 1 13 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.483 -1.916 25225 4631 1 13 . 1 1 107 107 LYS H H 107 8.624 8.624 8.637 -0.013 25225 4632 1 13 . 1 1 108 108 GLU N N 108 118.533 118.533 119.497 -0.964 25225 4633 1 13 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.753 -0.025 25225 4634 1 13 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.573 -3.861 25225 4635 1 13 . 1 1 108 108 GLU CB C 108 27.002 27.002 32.004 -5.002 25225 4636 1 13 . 1 1 108 108 GLU H H 108 7.627 7.627 7.996 -0.369 25225 4637 1 13 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.498 0.059 25225 4638 1 13 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.165 -3.532 25225 4639 1 13 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.272 -3.700 25225 4640 1 13 . 1 1 110 110 MET N N 110 122.942 122.942 123.469 -0.527 25225 4641 1 13 . 1 1 110 110 MET HA H 110 4.827 4.827 4.681 0.146 25225 4642 1 13 . 1 1 110 110 MET CA C 110 51.502 51.502 55.340 -3.838 25225 4643 1 13 . 1 1 110 110 MET CB C 110 34.636 34.636 34.515 0.121 25225 4644 1 13 . 1 1 110 110 MET H H 110 9.017 9.017 8.454 0.563 25225 4645 1 13 . 1 1 111 111 THR N N 111 110.441 110.441 117.157 -6.716 25225 4646 1 13 . 1 1 111 111 THR HA H 111 4.534 4.534 4.153 0.381 25225 4647 1 13 . 1 1 111 111 THR CA C 111 59.025 59.025 64.593 -5.568 25225 4648 1 13 . 1 1 111 111 THR H H 111 8.282 8.282 8.760 -0.478 25225 4649 1 13 . 1 1 112 112 SER N N 112 115.495 115.495 115.566 -0.071 25225 4650 1 13 . 1 1 112 112 SER HA H 112 3.890 3.890 4.204 -0.314 25225 4651 1 13 . 1 1 112 112 SER CA C 112 57.930 57.930 59.936 -2.006 25225 4652 1 13 . 1 1 112 112 SER CB C 112 59.493 59.493 63.247 -3.754 25225 4653 1 13 . 1 1 112 112 SER H H 112 8.739 8.739 8.445 0.294 25225 4654 1 13 . 1 1 113 113 ALA N N 113 119.080 119.080 121.904 -2.824 25225 4655 1 13 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.441 -0.426 25225 4656 1 13 . 1 1 113 113 ALA H H 113 8.374 8.374 7.811 0.563 25225 4657 1 13 . 1 1 114 114 SER N N 114 110.843 110.843 114.830 -3.987 25225 4658 1 13 . 1 1 114 114 SER HA H 114 4.515 4.515 4.197 0.318 25225 4659 1 13 . 1 1 114 114 SER CA C 114 55.891 55.891 59.521 -3.630 25225 4660 1 13 . 1 1 114 114 SER CB C 114 61.376 61.376 63.514 -2.138 25225 4661 1 13 . 1 1 114 114 SER H H 114 7.561 7.561 8.337 -0.776 25225 4662 1 13 . 1 1 115 115 CYS N N 115 124.537 124.537 118.976 5.561 25225 4663 1 13 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.260 0.821 25225 4664 1 13 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.384 -6.157 25225 4665 1 13 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.733 15.331 25225 4666 1 13 . 1 1 115 115 CYS H H 115 7.576 7.576 8.567 -0.991 25225 4667 1 13 . 1 1 116 116 ARG N N 116 121.872 121.872 119.911 1.961 25225 4668 1 13 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.622 -0.127 25225 4669 1 13 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.100 -3.197 25225 4670 1 13 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.587 -2.979 25225 4671 1 13 . 1 1 116 116 ARG H H 116 7.869 7.869 8.153 -0.284 25225 4672 1 13 . 1 1 117 117 THR N N 117 119.541 119.541 116.077 3.464 25225 4673 1 13 . 1 1 117 117 THR HA H 117 4.311 4.311 4.713 -0.402 25225 4674 1 13 . 1 1 117 117 THR CA C 117 61.472 61.472 60.462 1.010 25225 4675 1 13 . 1 1 117 117 THR CB C 117 65.543 65.543 72.083 -6.540 25225 4676 1 13 . 1 1 117 117 THR H H 117 8.309 8.309 8.378 -0.069 25225 4677 1 13 . 1 1 118 118 ILE N N 118 129.953 129.953 124.805 5.148 25225 4678 1 13 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.642 0.282 25225 4679 1 13 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.299 -1.948 25225 4680 1 13 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.288 -2.553 25225 4681 1 13 . 1 1 118 118 ILE H H 118 8.949 8.949 8.652 0.297 25225 4682 1 13 . 1 1 119 119 THR N N 119 126.753 126.753 122.299 4.454 25225 4683 1 13 . 1 1 119 119 THR HA H 119 4.475 4.475 4.617 -0.142 25225 4684 1 13 . 1 1 119 119 THR CA C 119 58.200 58.200 60.718 -2.518 25225 4685 1 13 . 1 1 119 119 THR CB C 119 67.794 67.794 72.018 -4.224 25225 4686 1 13 . 1 1 119 119 THR H H 119 8.711 8.711 8.288 0.423 25225 4687 1 13 . 1 1 120 120 ARG N N 120 126.298 126.298 124.396 1.902 25225 4688 1 13 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.482 -0.189 25225 4689 1 13 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.695 -2.315 25225 4690 1 13 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.086 -3.446 25225 4691 1 13 . 1 1 120 120 ARG H H 120 8.549 8.549 8.529 0.020 25225 4692 1 13 . 1 1 121 121 CYS N N 121 125.959 125.959 124.955 1.004 25225 4693 1 13 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.373 0.401 25225 4694 1 13 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.979 -10.092 25225 4695 1 13 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.052 5.617 25225 4696 1 13 . 1 1 121 121 CYS H H 121 8.747 8.747 8.916 -0.169 25225 4697 1 13 . 1 1 122 122 LYS N N 122 119.892 119.892 122.353 -2.461 25225 4698 1 13 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.697 -0.207 25225 4699 1 13 . 1 1 122 122 LYS CA C 122 52.781 52.781 53.517 -0.736 25225 4700 1 13 . 1 1 122 122 LYS CB C 122 27.458 27.458 30.884 -3.426 25225 4701 1 13 . 1 1 122 122 LYS H H 122 8.576 8.576 8.427 0.149 25225 4702 1 13 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.348 -0.099 25225 4703 1 13 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.861 -1.852 25225 4704 1 13 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.045 -3.357 25225 4705 1 13 . 1 1 124 124 GLU N N 124 112.877 112.877 118.036 -5.159 25225 4706 1 13 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.362 -0.140 25225 4707 1 13 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.785 -2.765 25225 4708 1 13 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.077 -3.304 25225 4709 1 13 . 1 1 124 124 GLU H H 124 8.892 8.892 8.587 0.305 25225 4710 1 13 . 1 1 125 125 ASP N N 125 120.983 120.983 119.080 1.903 25225 4711 1 13 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.755 -0.241 25225 4712 1 13 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.697 -1.535 25225 4713 1 13 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.685 -4.610 25225 4714 1 13 . 1 1 125 125 ASP H H 125 7.675 7.675 7.502 0.173 25225 4715 1 13 . 1 1 126 126 THR N N 126 110.714 110.714 109.167 1.547 25225 4716 1 13 . 1 1 126 126 THR HA H 126 4.445 4.445 4.516 -0.071 25225 4717 1 13 . 1 1 126 126 THR CA C 126 57.795 57.795 62.568 -4.773 25225 4718 1 13 . 1 1 126 126 THR CB C 126 68.080 68.080 71.574 -3.494 25225 4719 1 13 . 1 1 126 126 THR H H 126 8.139 8.139 8.694 -0.555 25225 4720 1 13 . 1 1 127 127 ALA N N 127 123.060 123.060 123.466 -0.406 25225 4721 1 13 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.411 0.558 25225 4722 1 13 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.889 -2.063 25225 4723 1 13 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.288 0.723 25225 4724 1 13 . 1 1 127 127 ALA H H 127 8.408 8.408 7.695 0.713 25225 4725 1 13 . 1 1 128 128 CYS N N 128 115.816 115.816 116.541 -0.725 25225 4726 1 13 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.679 0.726 25225 4727 1 13 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.842 -9.704 25225 4728 1 13 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.833 2.895 25225 4729 1 13 . 1 1 128 128 CYS H H 128 8.764 8.764 8.499 0.265 25225 4730 1 13 . 1 1 129 129 MET N N 129 126.078 126.078 119.186 6.892 25225 4731 1 13 . 1 1 129 129 MET HA H 129 5.485 5.485 4.961 0.524 25225 4732 1 13 . 1 1 129 129 MET CA C 129 51.630 51.630 55.006 -3.376 25225 4733 1 13 . 1 1 129 129 MET CB C 129 35.308 35.308 37.277 -1.969 25225 4734 1 13 . 1 1 129 129 MET H H 129 9.366 9.366 8.775 0.591 25225 4735 1 13 . 1 1 130 130 THR N N 130 123.706 123.706 116.760 6.946 25225 4736 1 13 . 1 1 130 130 THR HA H 130 5.177 5.177 4.834 0.343 25225 4737 1 13 . 1 1 130 130 THR CA C 130 59.260 59.260 61.270 -2.010 25225 4738 1 13 . 1 1 130 130 THR CB C 130 68.549 68.549 72.009 -3.460 25225 4739 1 13 . 1 1 130 130 THR H H 130 8.903 8.903 7.805 1.098 25225 4740 1 13 . 1 1 131 131 THR N N 131 123.644 123.644 119.957 3.687 25225 4741 1 13 . 1 1 131 131 THR HA H 131 5.110 5.110 4.796 0.314 25225 4742 1 13 . 1 1 131 131 THR CA C 131 58.370 58.370 62.303 -3.933 25225 4743 1 13 . 1 1 131 131 THR CB C 131 66.519 66.519 69.296 -2.776 25225 4744 1 13 . 1 1 131 131 THR H H 131 9.284 9.284 8.722 0.562 25225 4745 1 13 . 1 1 132 132 LEU N N 132 128.424 128.424 127.967 0.457 25225 4746 1 13 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.890 -0.141 25225 4747 1 13 . 1 1 132 132 LEU CA C 132 51.916 51.916 54.172 -2.256 25225 4748 1 13 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.175 -4.441 25225 4749 1 13 . 1 1 132 132 LEU H H 132 9.132 9.132 8.502 0.630 25225 4750 1 13 . 1 1 133 133 VAL N N 133 126.950 126.950 120.001 6.949 25225 4751 1 13 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.317 -0.244 25225 4752 1 13 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.721 -1.458 25225 4753 1 13 . 1 1 133 133 VAL CB C 133 29.588 29.588 31.944 -2.356 25225 4754 1 13 . 1 1 133 133 VAL H H 133 8.781 8.781 8.557 0.224 25225 4755 1 13 . 1 1 134 134 THR N N 134 115.286 115.286 116.286 -1.000 25225 4756 1 13 . 1 1 134 134 THR HA H 134 4.473 4.473 4.030 0.443 25225 4757 1 13 . 1 1 134 134 THR CA C 134 58.340 58.340 65.199 -6.859 25225 4758 1 13 . 1 1 134 134 THR CB C 134 66.590 66.590 68.807 -2.217 25225 4759 1 13 . 1 1 134 134 THR H H 134 7.870 7.870 8.086 -0.216 25225 4760 1 13 . 1 1 135 135 VAL N N 135 121.196 121.196 121.781 -0.585 25225 4761 1 13 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.027 0.264 25225 4762 1 13 . 1 1 135 135 VAL CA C 135 58.549 58.549 62.580 -4.031 25225 4763 1 13 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.455 -1.251 25225 4764 1 13 . 1 1 135 135 VAL H H 135 8.142 8.142 7.574 0.568 25225 4765 1 13 . 1 1 136 136 GLU N N 136 123.911 123.911 123.678 0.233 25225 4766 1 13 . 1 1 136 136 GLU HA H 136 4.322 4.322 3.941 0.382 25225 4767 1 13 . 1 1 136 136 GLU CA C 136 53.456 53.456 57.121 -3.665 25225 4768 1 13 . 1 1 136 136 GLU CB C 136 32.388 32.388 27.678 4.710 25225 4769 1 13 . 1 1 136 136 GLU H H 136 8.424 8.424 8.519 -0.095 25225 4770 1 13 . 1 1 137 137 ALA N N 137 124.105 124.105 122.931 1.174 25225 4771 1 13 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.339 -0.051 25225 4772 1 13 . 1 1 137 137 ALA CA C 137 49.707 49.707 53.220 -3.513 25225 4773 1 13 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.892 -3.599 25225 4774 1 13 . 1 1 137 137 ALA H H 137 8.292 8.292 8.390 -0.098 25225 4775 1 13 . 1 1 138 138 GLU N N 138 117.459 117.459 116.287 1.172 25225 4776 1 13 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.646 -0.384 25225 4777 1 13 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.817 -2.214 25225 4778 1 13 . 1 1 138 138 GLU CB C 138 26.856 26.856 31.638 -4.782 25225 4779 1 13 . 1 1 138 138 GLU H H 138 8.137 8.137 7.628 0.509 25225 4780 1 13 . 1 1 139 139 TYR N N 139 119.908 119.908 120.245 -0.337 25225 4781 1 13 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.786 0.010 25225 4782 1 13 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.343 -2.659 25225 4783 1 13 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.310 -2.921 25225 4784 1 13 . 1 1 139 139 TYR H H 139 7.916 7.916 8.795 -0.879 25225 4785 1 13 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.305 0.035 25225 4786 1 13 . 1 1 140 140 PRO CA C 140 60.669 60.669 64.334 -3.665 25225 4787 1 13 . 1 1 140 140 PRO CB C 140 28.512 28.512 31.663 -3.151 25225 4788 1 13 . 1 1 141 141 PHE N N 141 117.257 117.257 117.719 -0.462 25225 4789 1 13 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.607 -0.004 25225 4790 1 13 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.476 -3.909 25225 4791 1 13 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.378 -3.702 25225 4792 1 13 . 1 1 141 141 PHE H H 141 7.755 7.755 8.034 -0.279 25225 4793 1 13 . 1 1 142 142 ASN N N 142 118.560 118.560 117.920 0.640 25225 4794 1 13 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.884 -0.229 25225 4795 1 13 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.671 -3.361 25225 4796 1 13 . 1 1 142 142 ASN CB C 142 35.355 35.355 39.781 -4.426 25225 4797 1 13 . 1 1 142 142 ASN H H 142 8.101 8.101 7.688 0.413 25225 4798 1 13 . 1 1 143 143 GLN N N 143 119.234 119.234 122.462 -3.228 25225 4799 1 13 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.512 -0.133 25225 4800 1 13 . 1 1 143 143 GLN CA C 143 52.922 52.922 55.781 -2.859 25225 4801 1 13 . 1 1 143 143 GLN CB C 143 26.499 26.499 30.154 -3.655 25225 4802 1 13 . 1 1 143 143 GLN H H 143 8.222 8.222 8.289 -0.067 25225 4803 1 13 . 1 1 144 144 SER N N 144 117.221 117.221 115.231 1.990 25225 4804 1 13 . 1 1 144 144 SER HA H 144 4.830 4.830 4.728 0.102 25225 4805 1 13 . 1 1 144 144 SER CA C 144 53.218 53.218 57.336 -4.118 25225 4806 1 13 . 1 1 144 144 SER CB C 144 60.633 60.633 63.100 -2.467 25225 4807 1 13 . 1 1 144 144 SER H H 144 8.248 8.248 8.534 -0.286 25225 4808 1 13 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.620 -0.046 25225 4809 1 13 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.926 -2.886 25225 4810 1 13 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.737 -3.424 25225 4811 1 13 . 1 1 146 146 VAL N N 146 120.628 120.628 121.515 -0.887 25225 4812 1 13 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.397 -0.093 25225 4813 1 13 . 1 1 146 146 VAL CA C 146 58.340 58.340 61.718 -3.378 25225 4814 1 13 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.969 -4.909 25225 4815 1 13 . 1 1 146 146 VAL H H 146 8.330 8.330 8.109 0.221 25225 4816 1 13 . 1 1 147 147 VAL N N 147 116.972 116.972 122.663 -5.691 25225 4817 1 13 . 1 1 147 147 VAL HA H 147 5.704 5.704 5.042 0.662 25225 4818 1 13 . 1 1 147 147 VAL H H 147 9.040 9.040 7.917 1.123 25225 4819 1 13 . 1 1 148 148 THR N N 148 107.103 107.103 110.644 -3.541 25225 4820 1 13 . 1 1 148 148 THR HA H 148 4.906 4.906 4.690 0.216 25225 4821 1 13 . 1 1 148 148 THR CA C 148 58.020 58.020 61.604 -3.584 25225 4822 1 13 . 1 1 148 148 THR CB C 148 67.765 67.765 71.997 -4.232 25225 4823 1 13 . 1 1 148 148 THR H H 148 8.442 8.442 8.003 0.439 25225 4824 1 13 . 1 1 149 149 ARG N N 149 120.370 120.370 126.198 -5.828 25225 4825 1 13 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.922 0.709 25225 4826 1 13 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.491 -3.512 25225 4827 1 13 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.658 0.603 25225 4828 1 13 . 1 1 149 149 ARG H H 149 7.623 7.623 8.963 -1.340 25225 4829 1 13 . 1 1 150 150 SER N N 150 113.789 113.789 118.590 -4.801 25225 4830 1 13 . 1 1 150 150 SER HA H 150 4.790 4.790 4.828 -0.038 25225 4831 1 13 . 1 1 150 150 SER CA C 150 54.647 54.647 56.958 -2.311 25225 4832 1 13 . 1 1 150 150 SER CB C 150 63.412 63.412 66.216 -2.804 25225 4833 1 13 . 1 1 150 150 SER H H 150 8.709 8.709 8.055 0.654 25225 4834 1 13 . 1 1 151 151 CYS N N 151 120.824 120.824 119.775 1.049 25225 4835 1 13 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.355 0.786 25225 4836 1 13 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.453 -4.358 25225 4837 1 13 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.428 14.593 25225 4838 1 13 . 1 1 151 151 CYS H H 151 8.473 8.473 8.608 -0.135 25225 4839 1 13 . 1 1 152 152 SER N N 152 115.253 115.253 114.819 0.434 25225 4840 1 13 . 1 1 152 152 SER HA H 152 4.834 4.834 4.794 0.040 25225 4841 1 13 . 1 1 152 152 SER CA C 152 54.771 54.771 56.630 -1.859 25225 4842 1 13 . 1 1 152 152 SER CB C 152 62.761 62.761 64.302 -1.541 25225 4843 1 13 . 1 1 152 152 SER H H 152 9.052 9.052 8.816 0.236 25225 4844 1 13 . 1 1 153 153 SER N N 153 120.787 120.787 116.020 4.767 25225 4845 1 13 . 1 1 153 153 SER HA H 153 4.930 4.930 4.958 -0.028 25225 4846 1 13 . 1 1 153 153 SER CA C 153 55.479 55.479 57.659 -2.180 25225 4847 1 13 . 1 1 153 153 SER CB C 153 61.137 61.137 63.951 -2.814 25225 4848 1 13 . 1 1 153 153 SER H H 153 8.783 8.783 8.832 -0.049 25225 4849 1 13 . 1 1 154 154 SER N N 154 117.808 117.808 116.494 1.314 25225 4850 1 13 . 1 1 154 154 SER HA H 154 4.555 4.555 4.679 -0.124 25225 4851 1 13 . 1 1 154 154 SER CA C 154 54.084 54.084 58.196 -4.112 25225 4852 1 13 . 1 1 154 154 SER CB C 154 60.141 60.141 63.633 -3.492 25225 4853 1 13 . 1 1 154 154 SER H H 154 8.300 8.300 7.644 0.656 25225 4854 1 13 . 1 1 155 155 CYS N N 155 125.978 125.978 125.776 0.202 25225 4855 1 13 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.373 -0.001 25225 4856 1 13 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.581 -3.943 25225 4857 1 13 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.400 11.900 25225 4858 1 13 . 1 1 155 155 CYS H H 155 8.668 8.668 8.798 -0.130 25225 4859 1 13 . 1 1 156 156 VAL N N 156 129.527 129.527 126.143 3.384 25225 4860 1 13 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.388 -0.223 25225 4861 1 13 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.414 -1.471 25225 4862 1 13 . 1 1 156 156 VAL CB C 156 30.381 30.381 33.164 -2.783 25225 4863 1 13 . 1 1 156 156 VAL H H 156 8.239 8.239 8.061 0.178 25225 4864 1 13 . 1 1 157 157 ALA N N 157 130.280 130.280 129.870 0.410 25225 4865 1 13 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.386 -0.244 25225 4866 1 13 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.149 -3.102 25225 4867 1 13 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.201 -2.634 25225 4868 1 13 . 1 1 157 157 ALA H H 157 8.414 8.414 8.063 0.351 25225 4869 1 13 . 1 1 158 158 THR N N 158 115.127 115.127 120.632 -5.505 25225 4870 1 13 . 1 1 158 158 THR HA H 158 4.214 4.214 4.263 -0.049 25225 4871 1 13 . 1 1 158 158 THR CA C 158 59.207 59.207 62.908 -3.701 25225 4872 1 13 . 1 1 158 158 THR CB C 158 66.814 66.814 68.852 -2.038 25225 4873 1 13 . 1 1 158 158 THR H H 158 8.219 8.219 8.388 -0.169 25225 4874 1 13 . 1 1 159 159 ASP N N 159 125.274 125.274 127.202 -1.928 25225 4875 1 13 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.867 -0.009 25225 4876 1 13 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.483 -3.168 25225 4877 1 13 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.139 -3.879 25225 4878 1 13 . 1 1 159 159 ASP H H 159 8.548 8.548 7.964 0.584 25225 4879 1 13 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.303 0.077 25225 4880 1 13 . 1 1 160 160 PRO CA C 160 61.319 61.319 64.217 -2.898 25225 4881 1 13 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.533 -3.531 25225 4882 1 13 . 1 1 161 161 ASP N N 161 116.981 116.981 118.122 -1.141 25225 4883 1 13 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.586 0.123 25225 4884 1 13 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.347 -2.964 25225 4885 1 13 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.515 -2.906 25225 4886 1 13 . 1 1 161 161 ASP H H 161 8.402 8.402 8.516 -0.114 25225 4887 1 13 . 1 1 162 162 SER N N 162 115.678 115.678 111.847 3.831 25225 4888 1 13 . 1 1 162 162 SER HA H 162 4.477 4.477 4.406 0.071 25225 4889 1 13 . 1 1 162 162 SER CA C 162 55.371 55.371 58.861 -3.490 25225 4890 1 13 . 1 1 162 162 SER CB C 162 60.763 60.763 62.026 -1.263 25225 4891 1 13 . 1 1 162 162 SER H H 162 7.865 7.865 8.168 -0.303 25225 4892 1 13 . 1 1 163 163 ILE N N 163 122.425 122.425 118.791 3.634 25225 4893 1 13 . 1 1 163 163 ILE HA H 163 4.190 4.190 3.943 0.247 25225 4894 1 13 . 1 1 163 163 ILE CA C 163 58.539 58.539 63.027 -4.488 25225 4895 1 13 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.073 -2.510 25225 4896 1 13 . 1 1 163 163 ILE H H 163 8.098 8.098 7.982 0.116 25225 4897 1 13 . 1 1 164 164 GLY N N 164 112.830 112.830 108.620 4.210 25225 4898 1 13 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.097 -2.755 25225 4899 1 13 . 1 1 164 164 GLY H H 164 8.564 8.564 7.941 0.623 25225 4900 1 13 . 1 1 165 165 ALA N N 165 123.606 123.606 121.717 1.889 25225 4901 1 13 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.021 0.297 25225 4902 1 13 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.286 -3.098 25225 4903 1 13 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.316 -1.158 25225 4904 1 13 . 1 1 165 165 ALA H H 165 7.901 7.901 8.293 -0.392 25225 4905 1 13 . 1 1 166 166 ALA N N 166 122.736 122.736 118.855 3.881 25225 4906 1 13 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.144 0.088 25225 4907 1 13 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.290 -3.512 25225 4908 1 13 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.575 -3.404 25225 4909 1 13 . 1 1 166 166 ALA H H 166 8.243 8.243 7.730 0.513 25225 4910 1 13 . 1 1 167 167 HIS N N 167 114.237 114.237 115.893 -1.656 25225 4911 1 13 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.725 0.262 25225 4912 1 13 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.056 -3.908 25225 4913 1 13 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.716 -3.495 25225 4914 1 13 . 1 1 167 167 HIS H H 167 7.931 7.931 7.772 0.159 25225 4915 1 13 . 1 1 168 168 LEU N N 168 123.034 123.034 126.099 -3.065 25225 4916 1 13 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.418 0.062 25225 4917 1 13 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.456 -2.412 25225 4918 1 13 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.222 -0.503 25225 4919 1 13 . 1 1 168 168 LEU H H 168 8.371 8.371 8.186 0.185 25225 4920 1 13 . 1 1 169 169 ILE N N 169 121.493 121.493 124.646 -3.153 25225 4921 1 13 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.773 0.134 25225 4922 1 13 . 1 1 169 169 ILE CA C 169 56.856 56.856 61.088 -4.232 25225 4923 1 13 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.957 -1.493 25225 4924 1 13 . 1 1 169 169 ILE H H 169 8.097 8.097 8.042 0.055 25225 4925 1 13 . 1 1 170 170 PHE N N 170 125.500 125.500 127.308 -1.808 25225 4926 1 13 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.785 0.144 25225 4927 1 13 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.164 -4.361 25225 4928 1 13 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.447 -3.674 25225 4929 1 13 . 1 1 170 170 PHE H H 170 9.246 9.246 8.219 1.027 25225 4930 1 13 . 1 1 171 171 CYS N N 171 118.630 118.630 120.261 -1.631 25225 4931 1 13 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.372 -0.011 25225 4932 1 13 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.566 -5.697 25225 4933 1 13 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.961 12.410 25225 4934 1 13 . 1 1 171 171 CYS H H 171 8.577 8.577 8.410 0.167 25225 4935 1 13 . 1 1 172 172 CYS N N 172 118.255 118.255 117.978 0.277 25225 4936 1 13 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.832 -0.373 25225 4937 1 13 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.084 -5.191 25225 4938 1 13 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.892 11.239 25225 4939 1 13 . 1 1 172 172 CYS H H 172 8.679 8.679 8.141 0.538 25225 4940 1 13 . 1 1 173 173 PHE N N 173 119.428 119.428 119.687 -0.259 25225 4941 1 13 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.868 0.280 25225 4942 1 13 . 1 1 173 173 PHE CA C 173 55.243 55.243 58.191 -2.948 25225 4943 1 13 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.491 -2.051 25225 4944 1 13 . 1 1 173 173 PHE H H 173 8.810 8.810 8.696 0.114 25225 4945 1 13 . 1 1 174 174 ARG N N 174 119.247 119.247 119.532 -0.285 25225 4946 1 13 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.633 0.141 25225 4947 1 13 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.650 -3.514 25225 4948 1 13 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.520 -2.291 25225 4949 1 13 . 1 1 174 174 ARG H H 174 7.450 7.450 7.854 -0.404 25225 4950 1 13 . 1 1 175 175 ASP N N 175 119.844 119.844 124.014 -4.170 25225 4951 1 13 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.831 0.015 25225 4952 1 13 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.217 -2.703 25225 4953 1 13 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.616 -2.081 25225 4954 1 13 . 1 1 175 175 ASP H H 175 8.290 8.290 8.640 -0.350 25225 4955 1 13 . 1 1 176 176 LEU N N 176 114.448 114.448 118.768 -4.320 25225 4956 1 13 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.920 -0.576 25225 4957 1 13 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.133 -2.994 25225 4958 1 13 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.894 -5.008 25225 4959 1 13 . 1 1 176 176 LEU H H 176 9.298 9.298 8.426 0.872 25225 4960 1 13 . 1 1 177 177 CYS N N 177 112.101 112.101 115.449 -3.348 25225 4961 1 13 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.208 0.339 25225 4962 1 13 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.164 -6.632 25225 4963 1 13 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.186 14.396 25225 4964 1 13 . 1 1 177 177 CYS H H 177 7.834 7.834 8.170 -0.336 25225 4965 1 13 . 1 1 178 178 ASN N N 178 122.157 122.157 116.921 5.236 25225 4966 1 13 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.675 0.103 25225 4967 1 13 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.179 -2.615 25225 4968 1 13 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.473 -7.335 25225 4969 1 13 . 1 1 178 178 ASN H H 178 9.014 9.014 7.978 1.036 25225 4970 1 13 . 1 1 179 179 SER N N 179 109.444 109.444 113.062 -3.618 25225 4971 1 13 . 1 1 179 179 SER HA H 179 3.945 3.945 4.129 -0.184 25225 4972 1 13 . 1 1 179 179 SER CA C 179 55.092 55.092 58.059 -2.967 25225 4973 1 13 . 1 1 179 179 SER CB C 179 59.118 59.118 63.602 -4.484 25225 4974 1 13 . 1 1 179 179 SER H H 179 7.482 7.482 8.096 -0.614 25225 4975 1 13 . 1 1 180 180 GLU N N 180 120.035 120.035 126.457 -6.422 25225 4976 1 13 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.118 0.241 25225 4977 1 13 . 1 1 180 180 GLU CA C 180 52.226 52.226 57.550 -5.324 25225 4978 1 13 . 1 1 180 180 GLU CB C 180 28.439 28.439 29.706 -1.266 25225 4979 1 13 . 1 1 180 180 GLU H H 180 7.936 7.936 8.647 -0.711 25225 4980 1 14 . 1 1 101 101 LEU N N 101 127.862 127.862 125.944 1.918 25225 4981 1 14 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.577 0.057 25225 4982 1 14 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.900 -3.024 25225 4983 1 14 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.440 -0.419 25225 4984 1 14 . 1 1 101 101 LEU H H 101 8.754 8.754 8.640 0.114 25225 4985 1 14 . 1 1 102 102 LYS N N 102 121.006 121.006 126.211 -5.205 25225 4986 1 14 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.037 0.224 25225 4987 1 14 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.543 -3.951 25225 4988 1 14 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.669 -3.651 25225 4989 1 14 . 1 1 102 102 LYS H H 102 7.879 7.879 8.586 -0.707 25225 4990 1 14 . 1 1 103 103 CYS N N 103 117.708 117.708 120.588 -2.880 25225 4991 1 14 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.671 0.275 25225 4992 1 14 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.423 -9.425 25225 4993 1 14 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.996 6.916 25225 4994 1 14 . 1 1 103 103 CYS H H 103 8.427 8.427 8.461 -0.034 25225 4995 1 14 . 1 1 104 104 TYR N N 104 121.098 121.098 121.139 -0.041 25225 4996 1 14 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.965 0.171 25225 4997 1 14 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.723 -3.181 25225 4998 1 14 . 1 1 104 104 TYR CB C 104 34.783 34.783 38.078 -3.295 25225 4999 1 14 . 1 1 104 104 TYR H H 104 8.442 8.442 9.064 -0.622 25225 5000 1 14 . 1 1 105 105 THR N N 105 110.634 110.634 115.994 -5.360 25225 5001 1 14 . 1 1 105 105 THR HA H 105 4.624 4.624 4.857 -0.233 25225 5002 1 14 . 1 1 105 105 THR CA C 105 57.375 57.375 60.357 -2.982 25225 5003 1 14 . 1 1 105 105 THR CB C 105 70.082 70.082 71.125 -1.043 25225 5004 1 14 . 1 1 105 105 THR H H 105 9.312 9.312 9.112 0.200 25225 5005 1 14 . 1 1 106 106 CYS N N 106 109.134 109.134 125.755 -16.621 25225 5006 1 14 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.709 0.133 25225 5007 1 14 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.419 -3.185 25225 5008 1 14 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.474 13.624 25225 5009 1 14 . 1 1 106 106 CYS H H 106 8.260 8.260 8.267 -0.007 25225 5010 1 14 . 1 1 107 107 LYS N N 107 120.821 120.821 119.923 0.898 25225 5011 1 14 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.202 0.166 25225 5012 1 14 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.996 -3.788 25225 5013 1 14 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.617 -2.050 25225 5014 1 14 . 1 1 107 107 LYS H H 107 8.624 8.624 8.482 0.142 25225 5015 1 14 . 1 1 108 108 GLU N N 108 118.533 118.533 118.125 0.408 25225 5016 1 14 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.617 0.111 25225 5017 1 14 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.869 -4.157 25225 5018 1 14 . 1 1 108 108 GLU CB C 108 27.002 27.002 30.334 -3.332 25225 5019 1 14 . 1 1 108 108 GLU H H 108 7.627 7.627 8.236 -0.609 25225 5020 1 14 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.429 0.128 25225 5021 1 14 . 1 1 109 109 PRO CA C 109 59.633 59.633 64.552 -4.919 25225 5022 1 14 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.105 -3.533 25225 5023 1 14 . 1 1 110 110 MET N N 110 122.942 122.942 115.532 7.410 25225 5024 1 14 . 1 1 110 110 MET HA H 110 4.827 4.827 4.474 0.353 25225 5025 1 14 . 1 1 110 110 MET CA C 110 51.502 51.502 54.819 -3.317 25225 5026 1 14 . 1 1 110 110 MET CB C 110 34.636 34.636 32.825 1.811 25225 5027 1 14 . 1 1 110 110 MET H H 110 9.017 9.017 7.839 1.178 25225 5028 1 14 . 1 1 111 111 THR N N 111 110.441 110.441 115.181 -4.740 25225 5029 1 14 . 1 1 111 111 THR HA H 111 4.534 4.534 4.126 0.408 25225 5030 1 14 . 1 1 111 111 THR CA C 111 59.025 59.025 63.397 -4.372 25225 5031 1 14 . 1 1 111 111 THR H H 111 8.282 8.282 7.598 0.684 25225 5032 1 14 . 1 1 112 112 SER N N 112 115.495 115.495 122.234 -6.739 25225 5033 1 14 . 1 1 112 112 SER HA H 112 3.890 3.890 4.316 -0.426 25225 5034 1 14 . 1 1 112 112 SER CA C 112 57.930 57.930 58.595 -0.665 25225 5035 1 14 . 1 1 112 112 SER CB C 112 59.493 59.493 63.469 -3.976 25225 5036 1 14 . 1 1 112 112 SER H H 112 8.739 8.739 8.268 0.471 25225 5037 1 14 . 1 1 113 113 ALA N N 113 119.080 119.080 125.571 -6.491 25225 5038 1 14 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.180 -0.165 25225 5039 1 14 . 1 1 113 113 ALA H H 113 8.374 8.374 8.419 -0.045 25225 5040 1 14 . 1 1 114 114 SER N N 114 110.843 110.843 110.791 0.052 25225 5041 1 14 . 1 1 114 114 SER HA H 114 4.515 4.515 4.428 0.087 25225 5042 1 14 . 1 1 114 114 SER CA C 114 55.891 55.891 58.072 -2.181 25225 5043 1 14 . 1 1 114 114 SER CB C 114 61.376 61.376 63.302 -1.926 25225 5044 1 14 . 1 1 114 114 SER H H 114 7.561 7.561 7.936 -0.375 25225 5045 1 14 . 1 1 115 115 CYS N N 115 124.537 124.537 125.931 -1.394 25225 5046 1 14 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.617 0.464 25225 5047 1 14 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.577 -5.350 25225 5048 1 14 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.758 16.306 25225 5049 1 14 . 1 1 115 115 CYS H H 115 7.576 7.576 8.882 -1.306 25225 5050 1 14 . 1 1 116 116 ARG N N 116 121.872 121.872 123.404 -1.532 25225 5051 1 14 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.559 -0.064 25225 5052 1 14 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.423 -3.520 25225 5053 1 14 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.481 -2.873 25225 5054 1 14 . 1 1 116 116 ARG H H 116 7.869 7.869 7.735 0.134 25225 5055 1 14 . 1 1 117 117 THR N N 117 119.541 119.541 116.097 3.444 25225 5056 1 14 . 1 1 117 117 THR HA H 117 4.311 4.311 4.553 -0.242 25225 5057 1 14 . 1 1 117 117 THR CA C 117 61.472 61.472 61.606 -0.134 25225 5058 1 14 . 1 1 117 117 THR CB C 117 65.543 65.543 70.305 -4.762 25225 5059 1 14 . 1 1 117 117 THR H H 117 8.309 8.309 7.908 0.401 25225 5060 1 14 . 1 1 118 118 ILE N N 118 129.953 129.953 125.783 4.170 25225 5061 1 14 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.687 0.237 25225 5062 1 14 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.372 -2.021 25225 5063 1 14 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.842 -3.107 25225 5064 1 14 . 1 1 118 118 ILE H H 118 8.949 8.949 8.652 0.297 25225 5065 1 14 . 1 1 119 119 THR N N 119 126.753 126.753 122.988 3.765 25225 5066 1 14 . 1 1 119 119 THR HA H 119 4.475 4.475 4.621 -0.146 25225 5067 1 14 . 1 1 119 119 THR CA C 119 58.200 58.200 60.985 -2.785 25225 5068 1 14 . 1 1 119 119 THR CB C 119 67.794 67.794 72.270 -4.476 25225 5069 1 14 . 1 1 119 119 THR H H 119 8.711 8.711 8.617 0.094 25225 5070 1 14 . 1 1 120 120 ARG N N 120 126.298 126.298 124.198 2.100 25225 5071 1 14 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.465 -0.172 25225 5072 1 14 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.947 -2.567 25225 5073 1 14 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.937 -3.297 25225 5074 1 14 . 1 1 120 120 ARG H H 120 8.549 8.549 8.373 0.176 25225 5075 1 14 . 1 1 121 121 CYS N N 121 125.959 125.959 125.274 0.685 25225 5076 1 14 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.368 0.406 25225 5077 1 14 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.740 -9.853 25225 5078 1 14 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.281 5.388 25225 5079 1 14 . 1 1 121 121 CYS H H 121 8.747 8.747 8.677 0.070 25225 5080 1 14 . 1 1 122 122 LYS N N 122 119.892 119.892 122.524 -2.632 25225 5081 1 14 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.638 -0.149 25225 5082 1 14 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.565 -1.784 25225 5083 1 14 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.587 -4.129 25225 5084 1 14 . 1 1 122 122 LYS H H 122 8.576 8.576 8.233 0.343 25225 5085 1 14 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.299 -0.050 25225 5086 1 14 . 1 1 123 123 PRO CA C 123 63.009 63.009 65.159 -2.150 25225 5087 1 14 . 1 1 123 123 PRO CB C 123 28.688 28.688 31.721 -3.033 25225 5088 1 14 . 1 1 124 124 GLU N N 124 112.877 112.877 117.599 -4.722 25225 5089 1 14 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.241 -0.019 25225 5090 1 14 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.835 -2.815 25225 5091 1 14 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.127 -3.354 25225 5092 1 14 . 1 1 124 124 GLU H H 124 8.892 8.892 8.468 0.424 25225 5093 1 14 . 1 1 125 125 ASP N N 125 120.983 120.983 121.539 -0.556 25225 5094 1 14 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.644 -0.130 25225 5095 1 14 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.601 -1.439 25225 5096 1 14 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.680 -4.605 25225 5097 1 14 . 1 1 125 125 ASP H H 125 7.675 7.675 7.518 0.157 25225 5098 1 14 . 1 1 126 126 THR N N 126 110.714 110.714 109.973 0.741 25225 5099 1 14 . 1 1 126 126 THR HA H 126 4.445 4.445 4.459 -0.014 25225 5100 1 14 . 1 1 126 126 THR CA C 126 57.795 57.795 62.290 -4.495 25225 5101 1 14 . 1 1 126 126 THR CB C 126 68.080 68.080 70.781 -2.701 25225 5102 1 14 . 1 1 126 126 THR H H 126 8.139 8.139 8.740 -0.601 25225 5103 1 14 . 1 1 127 127 ALA N N 127 123.060 123.060 122.487 0.573 25225 5104 1 14 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.887 0.082 25225 5105 1 14 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.067 -2.241 25225 5106 1 14 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.220 -0.209 25225 5107 1 14 . 1 1 127 127 ALA H H 127 8.408 8.408 7.802 0.606 25225 5108 1 14 . 1 1 128 128 CYS N N 128 115.816 115.816 116.805 -0.989 25225 5109 1 14 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.712 0.693 25225 5110 1 14 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.733 -9.595 25225 5111 1 14 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.930 2.798 25225 5112 1 14 . 1 1 128 128 CYS H H 128 8.764 8.764 8.596 0.168 25225 5113 1 14 . 1 1 129 129 MET N N 129 126.078 126.078 119.450 6.628 25225 5114 1 14 . 1 1 129 129 MET HA H 129 5.485 5.485 4.925 0.560 25225 5115 1 14 . 1 1 129 129 MET CA C 129 51.630 51.630 54.836 -3.205 25225 5116 1 14 . 1 1 129 129 MET CB C 129 35.308 35.308 37.424 -2.116 25225 5117 1 14 . 1 1 129 129 MET H H 129 9.366 9.366 8.840 0.526 25225 5118 1 14 . 1 1 130 130 THR N N 130 123.706 123.706 117.388 6.318 25225 5119 1 14 . 1 1 130 130 THR HA H 130 5.177 5.177 5.011 0.166 25225 5120 1 14 . 1 1 130 130 THR CA C 130 59.260 59.260 61.309 -2.049 25225 5121 1 14 . 1 1 130 130 THR CB C 130 68.549 68.549 72.264 -3.715 25225 5122 1 14 . 1 1 130 130 THR H H 130 8.903 8.903 8.011 0.892 25225 5123 1 14 . 1 1 131 131 THR N N 131 123.644 123.644 119.391 4.253 25225 5124 1 14 . 1 1 131 131 THR HA H 131 5.110 5.110 4.828 0.282 25225 5125 1 14 . 1 1 131 131 THR CA C 131 58.370 58.370 61.984 -3.614 25225 5126 1 14 . 1 1 131 131 THR CB C 131 66.519 66.519 70.120 -3.601 25225 5127 1 14 . 1 1 131 131 THR H H 131 9.284 9.284 8.538 0.746 25225 5128 1 14 . 1 1 132 132 LEU N N 132 128.424 128.424 128.121 0.303 25225 5129 1 14 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.843 -0.094 25225 5130 1 14 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.336 -1.420 25225 5131 1 14 . 1 1 132 132 LEU CB C 132 40.734 40.734 44.552 -3.818 25225 5132 1 14 . 1 1 132 132 LEU H H 132 9.132 9.132 8.565 0.567 25225 5133 1 14 . 1 1 133 133 VAL N N 133 126.950 126.950 124.037 2.913 25225 5134 1 14 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.042 0.031 25225 5135 1 14 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.062 -0.800 25225 5136 1 14 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.062 -3.474 25225 5137 1 14 . 1 1 133 133 VAL H H 133 8.781 8.781 8.525 0.256 25225 5138 1 14 . 1 1 134 134 THR N N 134 115.286 115.286 119.760 -4.474 25225 5139 1 14 . 1 1 134 134 THR HA H 134 4.473 4.473 4.054 0.419 25225 5140 1 14 . 1 1 134 134 THR CA C 134 58.340 58.340 64.202 -5.862 25225 5141 1 14 . 1 1 134 134 THR CB C 134 66.590 66.590 68.285 -1.695 25225 5142 1 14 . 1 1 134 134 THR H H 134 7.870 7.870 7.907 -0.037 25225 5143 1 14 . 1 1 135 135 VAL N N 135 121.196 121.196 125.492 -4.296 25225 5144 1 14 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.257 0.034 25225 5145 1 14 . 1 1 135 135 VAL CA C 135 58.549 58.549 60.770 -2.221 25225 5146 1 14 . 1 1 135 135 VAL CB C 135 30.204 30.204 35.117 -4.913 25225 5147 1 14 . 1 1 135 135 VAL H H 135 8.142 8.142 7.983 0.159 25225 5148 1 14 . 1 1 136 136 GLU N N 136 123.911 123.911 123.946 -0.035 25225 5149 1 14 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.132 0.190 25225 5150 1 14 . 1 1 136 136 GLU CA C 136 53.456 53.456 57.233 -3.777 25225 5151 1 14 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.288 3.100 25225 5152 1 14 . 1 1 136 136 GLU H H 136 8.424 8.424 8.464 -0.040 25225 5153 1 14 . 1 1 137 137 ALA N N 137 124.105 124.105 127.519 -3.414 25225 5154 1 14 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.424 -0.136 25225 5155 1 14 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.702 -1.995 25225 5156 1 14 . 1 1 137 137 ALA CB C 137 16.293 16.293 20.127 -3.834 25225 5157 1 14 . 1 1 137 137 ALA H H 137 8.292 8.292 8.166 0.126 25225 5158 1 14 . 1 1 138 138 GLU N N 138 117.459 117.459 121.053 -3.594 25225 5159 1 14 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.240 0.022 25225 5160 1 14 . 1 1 138 138 GLU CA C 138 53.603 53.603 58.092 -4.489 25225 5161 1 14 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.891 -3.035 25225 5162 1 14 . 1 1 138 138 GLU H H 138 8.137 8.137 9.014 -0.877 25225 5163 1 14 . 1 1 139 139 TYR N N 139 119.908 119.908 120.236 -0.328 25225 5164 1 14 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.884 -0.088 25225 5165 1 14 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.660 -1.976 25225 5166 1 14 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.779 -3.390 25225 5167 1 14 . 1 1 139 139 TYR H H 139 7.916 7.916 8.023 -0.107 25225 5168 1 14 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.449 -0.109 25225 5169 1 14 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.852 -2.183 25225 5170 1 14 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.679 -2.167 25225 5171 1 14 . 1 1 141 141 PHE N N 141 117.257 117.257 120.359 -3.102 25225 5172 1 14 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.542 0.061 25225 5173 1 14 . 1 1 141 141 PHE CA C 141 54.567 54.567 57.974 -3.407 25225 5174 1 14 . 1 1 141 141 PHE CB C 141 35.676 35.676 38.804 -3.128 25225 5175 1 14 . 1 1 141 141 PHE H H 141 7.755 7.755 8.029 -0.274 25225 5176 1 14 . 1 1 142 142 ASN N N 142 118.560 118.560 119.391 -0.831 25225 5177 1 14 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.401 0.254 25225 5178 1 14 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.241 -2.931 25225 5179 1 14 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.101 -2.746 25225 5180 1 14 . 1 1 142 142 ASN H H 142 8.101 8.101 7.469 0.632 25225 5181 1 14 . 1 1 143 143 GLN N N 143 119.234 119.234 122.267 -3.033 25225 5182 1 14 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.418 -0.039 25225 5183 1 14 . 1 1 143 143 GLN CA C 143 52.922 52.922 54.837 -1.915 25225 5184 1 14 . 1 1 143 143 GLN CB C 143 26.499 26.499 28.168 -1.669 25225 5185 1 14 . 1 1 143 143 GLN H H 143 8.222 8.222 8.467 -0.245 25225 5186 1 14 . 1 1 144 144 SER N N 144 117.221 117.221 117.297 -0.076 25225 5187 1 14 . 1 1 144 144 SER HA H 144 4.830 4.830 4.544 0.286 25225 5188 1 14 . 1 1 144 144 SER CA C 144 53.218 53.218 56.867 -3.648 25225 5189 1 14 . 1 1 144 144 SER CB C 144 60.633 60.633 63.751 -3.118 25225 5190 1 14 . 1 1 144 144 SER H H 144 8.248 8.248 7.659 0.589 25225 5191 1 14 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.482 0.092 25225 5192 1 14 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.558 -2.518 25225 5193 1 14 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.392 -3.079 25225 5194 1 14 . 1 1 146 146 VAL N N 146 120.628 120.628 119.298 1.330 25225 5195 1 14 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.195 0.109 25225 5196 1 14 . 1 1 146 146 VAL CA C 146 58.340 58.340 61.361 -3.021 25225 5197 1 14 . 1 1 146 146 VAL CB C 146 30.060 30.060 32.263 -2.203 25225 5198 1 14 . 1 1 146 146 VAL H H 146 8.330 8.330 8.213 0.117 25225 5199 1 14 . 1 1 147 147 VAL N N 147 116.972 116.972 119.429 -2.457 25225 5200 1 14 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.249 1.455 25225 5201 1 14 . 1 1 147 147 VAL H H 147 9.040 9.040 8.102 0.938 25225 5202 1 14 . 1 1 148 148 THR N N 148 107.103 107.103 112.857 -5.754 25225 5203 1 14 . 1 1 148 148 THR HA H 148 4.906 4.906 4.658 0.248 25225 5204 1 14 . 1 1 148 148 THR CA C 148 58.020 58.020 60.730 -2.710 25225 5205 1 14 . 1 1 148 148 THR CB C 148 67.765 67.765 71.523 -3.758 25225 5206 1 14 . 1 1 148 148 THR H H 148 8.442 8.442 7.998 0.444 25225 5207 1 14 . 1 1 149 149 ARG N N 149 120.370 120.370 125.878 -5.508 25225 5208 1 14 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.846 0.785 25225 5209 1 14 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.483 -3.504 25225 5210 1 14 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.989 0.272 25225 5211 1 14 . 1 1 149 149 ARG H H 149 7.623 7.623 8.758 -1.135 25225 5212 1 14 . 1 1 150 150 SER N N 150 113.789 113.789 118.451 -4.662 25225 5213 1 14 . 1 1 150 150 SER HA H 150 4.790 4.790 4.856 -0.066 25225 5214 1 14 . 1 1 150 150 SER CA C 150 54.647 54.647 56.833 -2.186 25225 5215 1 14 . 1 1 150 150 SER CB C 150 63.412 63.412 66.458 -3.046 25225 5216 1 14 . 1 1 150 150 SER H H 150 8.709 8.709 8.212 0.497 25225 5217 1 14 . 1 1 151 151 CYS N N 151 120.824 120.824 119.712 1.112 25225 5218 1 14 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.395 0.746 25225 5219 1 14 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.667 -4.572 25225 5220 1 14 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.399 14.622 25225 5221 1 14 . 1 1 151 151 CYS H H 151 8.473 8.473 8.662 -0.189 25225 5222 1 14 . 1 1 152 152 SER N N 152 115.253 115.253 114.861 0.392 25225 5223 1 14 . 1 1 152 152 SER HA H 152 4.834 4.834 4.750 0.084 25225 5224 1 14 . 1 1 152 152 SER CA C 152 54.771 54.771 57.061 -2.290 25225 5225 1 14 . 1 1 152 152 SER CB C 152 62.761 62.761 64.933 -2.171 25225 5226 1 14 . 1 1 152 152 SER H H 152 9.052 9.052 8.771 0.281 25225 5227 1 14 . 1 1 153 153 SER N N 153 120.787 120.787 116.062 4.725 25225 5228 1 14 . 1 1 153 153 SER HA H 153 4.930 4.930 4.966 -0.036 25225 5229 1 14 . 1 1 153 153 SER CA C 153 55.479 55.479 57.520 -2.041 25225 5230 1 14 . 1 1 153 153 SER CB C 153 61.137 61.137 63.906 -2.769 25225 5231 1 14 . 1 1 153 153 SER H H 153 8.783 8.783 8.814 -0.031 25225 5232 1 14 . 1 1 154 154 SER N N 154 117.808 117.808 116.475 1.333 25225 5233 1 14 . 1 1 154 154 SER HA H 154 4.555 4.555 4.693 -0.138 25225 5234 1 14 . 1 1 154 154 SER CA C 154 54.084 54.084 58.532 -4.447 25225 5235 1 14 . 1 1 154 154 SER CB C 154 60.141 60.141 64.185 -4.044 25225 5236 1 14 . 1 1 154 154 SER H H 154 8.300 8.300 7.623 0.677 25225 5237 1 14 . 1 1 155 155 CYS N N 155 125.978 125.978 126.370 -0.392 25225 5238 1 14 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.414 -0.042 25225 5239 1 14 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.783 -4.145 25225 5240 1 14 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.469 11.831 25225 5241 1 14 . 1 1 155 155 CYS H H 155 8.668 8.668 8.855 -0.187 25225 5242 1 14 . 1 1 156 156 VAL N N 156 129.527 129.527 125.099 4.428 25225 5243 1 14 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.395 -0.230 25225 5244 1 14 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.186 -2.243 25225 5245 1 14 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.795 -4.414 25225 5246 1 14 . 1 1 156 156 VAL H H 156 8.239 8.239 7.960 0.279 25225 5247 1 14 . 1 1 157 157 ALA N N 157 130.280 130.280 128.613 1.667 25225 5248 1 14 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.338 -0.196 25225 5249 1 14 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.352 -3.305 25225 5250 1 14 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.935 -2.368 25225 5251 1 14 . 1 1 157 157 ALA H H 157 8.414 8.414 8.330 0.084 25225 5252 1 14 . 1 1 158 158 THR N N 158 115.127 115.127 118.105 -2.978 25225 5253 1 14 . 1 1 158 158 THR HA H 158 4.214 4.214 4.346 -0.132 25225 5254 1 14 . 1 1 158 158 THR CA C 158 59.207 59.207 61.763 -2.555 25225 5255 1 14 . 1 1 158 158 THR CB C 158 66.814 66.814 68.455 -1.641 25225 5256 1 14 . 1 1 158 158 THR H H 158 8.219 8.219 8.481 -0.262 25225 5257 1 14 . 1 1 159 159 ASP N N 159 125.274 125.274 126.164 -0.890 25225 5258 1 14 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.884 -0.026 25225 5259 1 14 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.436 -2.121 25225 5260 1 14 . 1 1 159 159 ASP CB C 159 38.260 38.260 43.113 -4.853 25225 5261 1 14 . 1 1 159 159 ASP H H 159 8.548 8.548 7.874 0.674 25225 5262 1 14 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.373 0.007 25225 5263 1 14 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.717 -2.398 25225 5264 1 14 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.127 -3.125 25225 5265 1 14 . 1 1 161 161 ASP N N 161 116.981 116.981 117.597 -0.616 25225 5266 1 14 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.422 0.287 25225 5267 1 14 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.700 -3.317 25225 5268 1 14 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.539 -2.930 25225 5269 1 14 . 1 1 161 161 ASP H H 161 8.402 8.402 8.336 0.066 25225 5270 1 14 . 1 1 162 162 SER N N 162 115.678 115.678 113.895 1.783 25225 5271 1 14 . 1 1 162 162 SER HA H 162 4.477 4.477 4.189 0.288 25225 5272 1 14 . 1 1 162 162 SER CA C 162 55.371 55.371 58.819 -3.448 25225 5273 1 14 . 1 1 162 162 SER CB C 162 60.763 60.763 62.095 -1.332 25225 5274 1 14 . 1 1 162 162 SER H H 162 7.865 7.865 8.258 -0.393 25225 5275 1 14 . 1 1 163 163 ILE N N 163 122.425 122.425 119.916 2.509 25225 5276 1 14 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.047 0.143 25225 5277 1 14 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.849 -4.310 25225 5278 1 14 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.146 -2.583 25225 5279 1 14 . 1 1 163 163 ILE H H 163 8.098 8.098 7.907 0.191 25225 5280 1 14 . 1 1 164 164 GLY N N 164 112.830 112.830 107.001 5.829 25225 5281 1 14 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.550 -2.208 25225 5282 1 14 . 1 1 164 164 GLY H H 164 8.564 8.564 8.228 0.336 25225 5283 1 14 . 1 1 165 165 ALA N N 165 123.606 123.606 121.225 2.381 25225 5284 1 14 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.972 0.346 25225 5285 1 14 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.678 -3.490 25225 5286 1 14 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.133 -0.975 25225 5287 1 14 . 1 1 165 165 ALA H H 165 7.901 7.901 8.011 -0.110 25225 5288 1 14 . 1 1 166 166 ALA N N 166 122.736 122.736 119.589 3.147 25225 5289 1 14 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.100 0.132 25225 5290 1 14 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.103 -3.325 25225 5291 1 14 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.534 -3.363 25225 5292 1 14 . 1 1 166 166 ALA H H 166 8.243 8.243 8.301 -0.058 25225 5293 1 14 . 1 1 167 167 HIS N N 167 114.237 114.237 113.335 0.902 25225 5294 1 14 . 1 1 167 167 HIS HA H 167 4.987 4.987 5.065 -0.078 25225 5295 1 14 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.519 -4.371 25225 5296 1 14 . 1 1 167 167 HIS CB C 167 27.221 27.221 33.674 -6.453 25225 5297 1 14 . 1 1 167 167 HIS H H 167 7.931 7.931 7.598 0.333 25225 5298 1 14 . 1 1 168 168 LEU N N 168 123.034 123.034 122.597 0.437 25225 5299 1 14 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.741 -0.261 25225 5300 1 14 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.634 -2.590 25225 5301 1 14 . 1 1 168 168 LEU CB C 168 40.719 40.719 45.569 -4.851 25225 5302 1 14 . 1 1 168 168 LEU H H 168 8.371 8.371 8.339 0.032 25225 5303 1 14 . 1 1 169 169 ILE N N 169 121.493 121.493 123.622 -2.129 25225 5304 1 14 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.757 0.150 25225 5305 1 14 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.770 -3.914 25225 5306 1 14 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.516 -1.052 25225 5307 1 14 . 1 1 169 169 ILE H H 169 8.097 8.097 8.373 -0.276 25225 5308 1 14 . 1 1 170 170 PHE N N 170 125.500 125.500 128.548 -3.048 25225 5309 1 14 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.710 0.220 25225 5310 1 14 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.215 -4.412 25225 5311 1 14 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.994 -3.221 25225 5312 1 14 . 1 1 170 170 PHE H H 170 9.246 9.246 8.062 1.184 25225 5313 1 14 . 1 1 171 171 CYS N N 171 118.630 118.630 119.220 -0.590 25225 5314 1 14 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.326 0.035 25225 5315 1 14 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.426 -5.557 25225 5316 1 14 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.185 13.186 25225 5317 1 14 . 1 1 171 171 CYS H H 171 8.577 8.577 8.504 0.073 25225 5318 1 14 . 1 1 172 172 CYS N N 172 118.255 118.255 116.985 1.270 25225 5319 1 14 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.459 0.000 25225 5320 1 14 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.130 -5.238 25225 5321 1 14 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.727 11.404 25225 5322 1 14 . 1 1 172 172 CYS H H 172 8.679 8.679 8.280 0.399 25225 5323 1 14 . 1 1 173 173 PHE N N 173 119.428 119.428 118.254 1.174 25225 5324 1 14 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.872 0.276 25225 5325 1 14 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.501 -2.258 25225 5326 1 14 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.205 -1.765 25225 5327 1 14 . 1 1 173 173 PHE H H 173 8.810 8.810 8.492 0.318 25225 5328 1 14 . 1 1 174 174 ARG N N 174 119.247 119.247 120.072 -0.825 25225 5329 1 14 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.613 0.161 25225 5330 1 14 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.871 -3.735 25225 5331 1 14 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.902 -2.673 25225 5332 1 14 . 1 1 174 174 ARG H H 174 7.450 7.450 7.869 -0.419 25225 5333 1 14 . 1 1 175 175 ASP N N 175 119.844 119.844 123.708 -3.864 25225 5334 1 14 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.754 0.092 25225 5335 1 14 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.327 -2.813 25225 5336 1 14 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.421 -1.886 25225 5337 1 14 . 1 1 175 175 ASP H H 175 8.290 8.290 8.619 -0.329 25225 5338 1 14 . 1 1 176 176 LEU N N 176 114.448 114.448 118.698 -4.250 25225 5339 1 14 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.796 -0.452 25225 5340 1 14 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.067 -2.928 25225 5341 1 14 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.987 -5.101 25225 5342 1 14 . 1 1 176 176 LEU H H 176 9.298 9.298 8.339 0.959 25225 5343 1 14 . 1 1 177 177 CYS N N 177 112.101 112.101 115.133 -3.032 25225 5344 1 14 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.182 0.365 25225 5345 1 14 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.256 -6.724 25225 5346 1 14 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.118 14.464 25225 5347 1 14 . 1 1 177 177 CYS H H 177 7.834 7.834 8.218 -0.384 25225 5348 1 14 . 1 1 178 178 ASN N N 178 122.157 122.157 117.559 4.598 25225 5349 1 14 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.703 0.075 25225 5350 1 14 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.071 -2.507 25225 5351 1 14 . 1 1 178 178 ASN CB C 178 33.138 33.138 39.816 -6.678 25225 5352 1 14 . 1 1 178 178 ASN H H 178 9.014 9.014 7.981 1.033 25225 5353 1 14 . 1 1 179 179 SER N N 179 109.444 109.444 113.865 -4.421 25225 5354 1 14 . 1 1 179 179 SER HA H 179 3.945 3.945 4.292 -0.347 25225 5355 1 14 . 1 1 179 179 SER CA C 179 55.092 55.092 58.894 -3.801 25225 5356 1 14 . 1 1 179 179 SER CB C 179 59.118 59.118 63.197 -4.079 25225 5357 1 14 . 1 1 179 179 SER H H 179 7.482 7.482 8.319 -0.837 25225 5358 1 14 . 1 1 180 180 GLU N N 180 120.035 120.035 124.291 -4.256 25225 5359 1 14 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.368 -0.009 25225 5360 1 14 . 1 1 180 180 GLU CA C 180 52.226 52.226 55.896 -3.670 25225 5361 1 14 . 1 1 180 180 GLU CB C 180 28.439 28.439 32.712 -4.273 25225 5362 1 14 . 1 1 180 180 GLU H H 180 7.936 7.936 8.194 -0.258 25225 5363 1 15 . 1 1 101 101 LEU N N 101 127.862 127.862 124.041 3.821 25225 5364 1 15 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.608 0.026 25225 5365 1 15 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.704 -2.828 25225 5366 1 15 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.207 -0.186 25225 5367 1 15 . 1 1 101 101 LEU H H 101 8.754 8.754 8.603 0.151 25225 5368 1 15 . 1 1 102 102 LYS N N 102 121.006 121.006 125.771 -4.765 25225 5369 1 15 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.106 0.155 25225 5370 1 15 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.322 -3.731 25225 5371 1 15 . 1 1 102 102 LYS CB C 102 32.019 32.019 36.226 -4.207 25225 5372 1 15 . 1 1 102 102 LYS H H 102 7.879 7.879 8.270 -0.391 25225 5373 1 15 . 1 1 103 103 CYS N N 103 117.708 117.708 119.416 -1.708 25225 5374 1 15 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.672 0.274 25225 5375 1 15 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.473 -9.475 25225 5376 1 15 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.921 6.991 25225 5377 1 15 . 1 1 103 103 CYS H H 103 8.427 8.427 8.391 0.036 25225 5378 1 15 . 1 1 104 104 TYR N N 104 121.098 121.098 122.320 -1.222 25225 5379 1 15 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.671 0.465 25225 5380 1 15 . 1 1 104 104 TYR CA C 104 55.542 55.542 57.713 -2.171 25225 5381 1 15 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.684 -1.901 25225 5382 1 15 . 1 1 104 104 TYR H H 104 8.442 8.442 9.003 -0.561 25225 5383 1 15 . 1 1 105 105 THR N N 105 110.634 110.634 114.178 -3.544 25225 5384 1 15 . 1 1 105 105 THR HA H 105 4.624 4.624 4.862 -0.238 25225 5385 1 15 . 1 1 105 105 THR CA C 105 57.375 57.375 59.886 -2.511 25225 5386 1 15 . 1 1 105 105 THR CB C 105 70.082 70.082 70.361 -0.279 25225 5387 1 15 . 1 1 105 105 THR H H 105 9.312 9.312 8.044 1.268 25225 5388 1 15 . 1 1 106 106 CYS N N 106 109.134 109.134 124.223 -15.089 25225 5389 1 15 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.776 0.066 25225 5390 1 15 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.384 -3.150 25225 5391 1 15 . 1 1 106 106 CYS CB C 106 43.098 43.098 28.946 14.152 25225 5392 1 15 . 1 1 106 106 CYS H H 106 8.260 8.260 8.166 0.094 25225 5393 1 15 . 1 1 107 107 LYS N N 107 120.821 120.821 122.367 -1.546 25225 5394 1 15 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.181 0.187 25225 5395 1 15 . 1 1 107 107 LYS CA C 107 54.209 54.209 58.622 -4.413 25225 5396 1 15 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.852 -2.285 25225 5397 1 15 . 1 1 107 107 LYS H H 107 8.624 8.624 8.575 0.049 25225 5398 1 15 . 1 1 108 108 GLU N N 108 118.533 118.533 115.671 2.862 25225 5399 1 15 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.647 0.081 25225 5400 1 15 . 1 1 108 108 GLU CA C 108 49.712 49.712 54.766 -5.054 25225 5401 1 15 . 1 1 108 108 GLU CB C 108 27.002 27.002 32.422 -5.420 25225 5402 1 15 . 1 1 108 108 GLU H H 108 7.627 7.627 8.131 -0.504 25225 5403 1 15 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.426 0.131 25225 5404 1 15 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.309 -3.676 25225 5405 1 15 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.287 -2.715 25225 5406 1 15 . 1 1 110 110 MET N N 110 122.942 122.942 123.863 -0.921 25225 5407 1 15 . 1 1 110 110 MET HA H 110 4.827 4.827 4.775 0.052 25225 5408 1 15 . 1 1 110 110 MET CA C 110 51.502 51.502 53.996 -2.494 25225 5409 1 15 . 1 1 110 110 MET CB C 110 34.636 34.636 34.943 -0.307 25225 5410 1 15 . 1 1 110 110 MET H H 110 9.017 9.017 7.838 1.179 25225 5411 1 15 . 1 1 111 111 THR N N 111 110.441 110.441 114.141 -3.700 25225 5412 1 15 . 1 1 111 111 THR HA H 111 4.534 4.534 4.124 0.410 25225 5413 1 15 . 1 1 111 111 THR CA C 111 59.025 59.025 63.691 -4.666 25225 5414 1 15 . 1 1 111 111 THR H H 111 8.282 8.282 8.303 -0.021 25225 5415 1 15 . 1 1 112 112 SER N N 112 115.495 115.495 115.900 -0.405 25225 5416 1 15 . 1 1 112 112 SER HA H 112 3.890 3.890 4.360 -0.470 25225 5417 1 15 . 1 1 112 112 SER CA C 112 57.930 57.930 58.389 -0.459 25225 5418 1 15 . 1 1 112 112 SER CB C 112 59.493 59.493 63.520 -4.027 25225 5419 1 15 . 1 1 112 112 SER H H 112 8.739 8.739 7.742 0.997 25225 5420 1 15 . 1 1 113 113 ALA N N 113 119.080 119.080 128.680 -9.600 25225 5421 1 15 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.257 -0.242 25225 5422 1 15 . 1 1 113 113 ALA H H 113 8.374 8.374 8.605 -0.231 25225 5423 1 15 . 1 1 114 114 SER N N 114 110.843 110.843 114.329 -3.486 25225 5424 1 15 . 1 1 114 114 SER HA H 114 4.515 4.515 4.389 0.126 25225 5425 1 15 . 1 1 114 114 SER CA C 114 55.891 55.891 58.943 -3.052 25225 5426 1 15 . 1 1 114 114 SER CB C 114 61.376 61.376 63.670 -2.294 25225 5427 1 15 . 1 1 114 114 SER H H 114 7.561 7.561 7.761 -0.200 25225 5428 1 15 . 1 1 115 115 CYS N N 115 124.537 124.537 120.002 4.535 25225 5429 1 15 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.243 0.838 25225 5430 1 15 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.480 -6.253 25225 5431 1 15 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.863 15.201 25225 5432 1 15 . 1 1 115 115 CYS H H 115 7.576 7.576 8.260 -0.684 25225 5433 1 15 . 1 1 116 116 ARG N N 116 121.872 121.872 123.154 -1.282 25225 5434 1 15 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.717 -0.222 25225 5435 1 15 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.489 -3.586 25225 5436 1 15 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.454 -3.846 25225 5437 1 15 . 1 1 116 116 ARG H H 116 7.869 7.869 8.139 -0.270 25225 5438 1 15 . 1 1 117 117 THR N N 117 119.541 119.541 115.847 3.694 25225 5439 1 15 . 1 1 117 117 THR HA H 117 4.311 4.311 4.623 -0.312 25225 5440 1 15 . 1 1 117 117 THR CA C 117 61.472 61.472 61.394 0.078 25225 5441 1 15 . 1 1 117 117 THR CB C 117 65.543 65.543 72.155 -6.612 25225 5442 1 15 . 1 1 117 117 THR H H 117 8.309 8.309 8.211 0.098 25225 5443 1 15 . 1 1 118 118 ILE N N 118 129.953 129.953 126.113 3.840 25225 5444 1 15 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.760 0.164 25225 5445 1 15 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.219 -1.868 25225 5446 1 15 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.260 -2.525 25225 5447 1 15 . 1 1 118 118 ILE H H 118 8.949 8.949 8.635 0.314 25225 5448 1 15 . 1 1 119 119 THR N N 119 126.753 126.753 123.670 3.083 25225 5449 1 15 . 1 1 119 119 THR HA H 119 4.475 4.475 4.638 -0.163 25225 5450 1 15 . 1 1 119 119 THR CA C 119 58.200 58.200 60.493 -2.293 25225 5451 1 15 . 1 1 119 119 THR CB C 119 67.794 67.794 71.847 -4.053 25225 5452 1 15 . 1 1 119 119 THR H H 119 8.711 8.711 8.537 0.174 25225 5453 1 15 . 1 1 120 120 ARG N N 120 126.298 126.298 124.555 1.743 25225 5454 1 15 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.460 -0.167 25225 5455 1 15 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.692 -2.312 25225 5456 1 15 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.511 -3.871 25225 5457 1 15 . 1 1 120 120 ARG H H 120 8.549 8.549 8.477 0.072 25225 5458 1 15 . 1 1 121 121 CYS N N 121 125.959 125.959 125.125 0.834 25225 5459 1 15 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.311 0.463 25225 5460 1 15 . 1 1 121 121 CYS CA C 121 48.887 48.887 59.187 -10.300 25225 5461 1 15 . 1 1 121 121 CYS CB C 121 33.669 33.669 27.988 5.681 25225 5462 1 15 . 1 1 121 121 CYS H H 121 8.747 8.747 8.636 0.111 25225 5463 1 15 . 1 1 122 122 LYS N N 122 119.892 119.892 122.144 -2.252 25225 5464 1 15 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.581 -0.092 25225 5465 1 15 . 1 1 122 122 LYS CA C 122 52.781 52.781 55.222 -2.441 25225 5466 1 15 . 1 1 122 122 LYS CB C 122 27.458 27.458 32.115 -4.657 25225 5467 1 15 . 1 1 122 122 LYS H H 122 8.576 8.576 8.317 0.259 25225 5468 1 15 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.309 -0.060 25225 5469 1 15 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.920 -1.911 25225 5470 1 15 . 1 1 123 123 PRO CB C 123 28.688 28.688 31.934 -3.246 25225 5471 1 15 . 1 1 124 124 GLU N N 124 112.877 112.877 117.264 -4.387 25225 5472 1 15 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.207 0.015 25225 5473 1 15 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.840 -2.820 25225 5474 1 15 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.011 -3.238 25225 5475 1 15 . 1 1 124 124 GLU H H 124 8.892 8.892 8.393 0.499 25225 5476 1 15 . 1 1 125 125 ASP N N 125 120.983 120.983 120.624 0.359 25225 5477 1 15 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.644 -0.130 25225 5478 1 15 . 1 1 125 125 ASP CA C 125 53.162 53.162 55.154 -1.992 25225 5479 1 15 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.917 -4.843 25225 5480 1 15 . 1 1 125 125 ASP H H 125 7.675 7.675 7.449 0.226 25225 5481 1 15 . 1 1 126 126 THR N N 126 110.714 110.714 109.736 0.978 25225 5482 1 15 . 1 1 126 126 THR HA H 126 4.445 4.445 4.521 -0.076 25225 5483 1 15 . 1 1 126 126 THR CA C 126 57.795 57.795 62.353 -4.558 25225 5484 1 15 . 1 1 126 126 THR CB C 126 68.080 68.080 71.262 -3.182 25225 5485 1 15 . 1 1 126 126 THR H H 126 8.139 8.139 8.041 0.098 25225 5486 1 15 . 1 1 127 127 ALA N N 127 123.060 123.060 122.391 0.669 25225 5487 1 15 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.470 0.499 25225 5488 1 15 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.684 -1.858 25225 5489 1 15 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.387 0.624 25225 5490 1 15 . 1 1 127 127 ALA H H 127 8.408 8.408 8.039 0.369 25225 5491 1 15 . 1 1 128 128 CYS N N 128 115.816 115.816 116.763 -0.947 25225 5492 1 15 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.690 0.715 25225 5493 1 15 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.705 -9.567 25225 5494 1 15 . 1 1 128 128 CYS CB C 128 33.728 33.728 31.500 2.228 25225 5495 1 15 . 1 1 128 128 CYS H H 128 8.764 8.764 8.440 0.324 25225 5496 1 15 . 1 1 129 129 MET N N 129 126.078 126.078 119.582 6.496 25225 5497 1 15 . 1 1 129 129 MET HA H 129 5.485 5.485 4.921 0.564 25225 5498 1 15 . 1 1 129 129 MET CA C 129 51.630 51.630 55.168 -3.538 25225 5499 1 15 . 1 1 129 129 MET CB C 129 35.308 35.308 37.770 -2.462 25225 5500 1 15 . 1 1 129 129 MET H H 129 9.366 9.366 9.192 0.174 25225 5501 1 15 . 1 1 130 130 THR N N 130 123.706 123.706 119.207 4.499 25225 5502 1 15 . 1 1 130 130 THR HA H 130 5.177 5.177 4.744 0.433 25225 5503 1 15 . 1 1 130 130 THR CA C 130 59.260 59.260 61.806 -2.546 25225 5504 1 15 . 1 1 130 130 THR CB C 130 68.549 68.549 71.897 -3.348 25225 5505 1 15 . 1 1 130 130 THR H H 130 8.903 8.903 8.402 0.501 25225 5506 1 15 . 1 1 131 131 THR N N 131 123.644 123.644 124.032 -0.388 25225 5507 1 15 . 1 1 131 131 THR HA H 131 5.110 5.110 5.117 -0.007 25225 5508 1 15 . 1 1 131 131 THR CA C 131 58.370 58.370 61.715 -3.345 25225 5509 1 15 . 1 1 131 131 THR CB C 131 66.519 66.519 69.266 -2.747 25225 5510 1 15 . 1 1 131 131 THR H H 131 9.284 9.284 8.588 0.696 25225 5511 1 15 . 1 1 132 132 LEU N N 132 128.424 128.424 128.420 0.004 25225 5512 1 15 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.852 -0.103 25225 5513 1 15 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.718 -1.802 25225 5514 1 15 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.557 -4.823 25225 5515 1 15 . 1 1 132 132 LEU H H 132 9.132 9.132 8.992 0.140 25225 5516 1 15 . 1 1 133 133 VAL N N 133 126.950 126.950 124.433 2.517 25225 5517 1 15 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.442 -0.369 25225 5518 1 15 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.484 -1.222 25225 5519 1 15 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.182 -3.594 25225 5520 1 15 . 1 1 133 133 VAL H H 133 8.781 8.781 8.372 0.409 25225 5521 1 15 . 1 1 134 134 THR N N 134 115.286 115.286 121.388 -6.102 25225 5522 1 15 . 1 1 134 134 THR HA H 134 4.473 4.473 4.562 -0.089 25225 5523 1 15 . 1 1 134 134 THR CA C 134 58.340 58.340 61.381 -3.041 25225 5524 1 15 . 1 1 134 134 THR CB C 134 66.590 66.590 69.903 -3.313 25225 5525 1 15 . 1 1 134 134 THR H H 134 7.870 7.870 8.022 -0.152 25225 5526 1 15 . 1 1 135 135 VAL N N 135 121.196 121.196 120.092 1.104 25225 5527 1 15 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.916 0.375 25225 5528 1 15 . 1 1 135 135 VAL CA C 135 58.549 58.549 64.089 -5.540 25225 5529 1 15 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.416 -1.212 25225 5530 1 15 . 1 1 135 135 VAL H H 135 8.142 8.142 8.327 -0.185 25225 5531 1 15 . 1 1 136 136 GLU N N 136 123.911 123.911 121.917 1.994 25225 5532 1 15 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.189 0.133 25225 5533 1 15 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.748 -3.292 25225 5534 1 15 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.027 2.361 25225 5535 1 15 . 1 1 136 136 GLU H H 136 8.424 8.424 8.138 0.286 25225 5536 1 15 . 1 1 137 137 ALA N N 137 124.105 124.105 128.391 -4.286 25225 5537 1 15 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.576 -0.288 25225 5538 1 15 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.854 -2.147 25225 5539 1 15 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.955 -3.662 25225 5540 1 15 . 1 1 137 137 ALA H H 137 8.292 8.292 8.284 0.008 25225 5541 1 15 . 1 1 138 138 GLU N N 138 117.459 117.459 123.277 -5.818 25225 5542 1 15 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.134 0.128 25225 5543 1 15 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.479 -3.876 25225 5544 1 15 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.814 -2.958 25225 5545 1 15 . 1 1 138 138 GLU H H 138 8.137 8.137 8.733 -0.596 25225 5546 1 15 . 1 1 139 139 TYR N N 139 119.908 119.908 122.272 -2.364 25225 5547 1 15 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.895 -0.099 25225 5548 1 15 . 1 1 139 139 TYR CA C 139 52.684 52.684 53.642 -0.958 25225 5549 1 15 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.470 -3.081 25225 5550 1 15 . 1 1 139 139 TYR H H 139 7.916 7.916 7.821 0.095 25225 5551 1 15 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.501 -0.161 25225 5552 1 15 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.158 -2.489 25225 5553 1 15 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.723 -2.211 25225 5554 1 15 . 1 1 141 141 PHE N N 141 117.257 117.257 124.154 -6.897 25225 5555 1 15 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.358 0.245 25225 5556 1 15 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.155 -3.588 25225 5557 1 15 . 1 1 141 141 PHE CB C 141 35.676 35.676 40.263 -4.587 25225 5558 1 15 . 1 1 141 141 PHE H H 141 7.755 7.755 8.102 -0.347 25225 5559 1 15 . 1 1 142 142 ASN N N 142 118.560 118.560 118.377 0.183 25225 5560 1 15 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.722 -0.067 25225 5561 1 15 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.280 -2.970 25225 5562 1 15 . 1 1 142 142 ASN CB C 142 35.355 35.355 40.049 -4.694 25225 5563 1 15 . 1 1 142 142 ASN H H 142 8.101 8.101 8.237 -0.136 25225 5564 1 15 . 1 1 143 143 GLN N N 143 119.234 119.234 123.771 -4.537 25225 5565 1 15 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.483 -0.104 25225 5566 1 15 . 1 1 143 143 GLN CA C 143 52.922 52.922 55.781 -2.859 25225 5567 1 15 . 1 1 143 143 GLN CB C 143 26.499 26.499 28.477 -1.978 25225 5568 1 15 . 1 1 143 143 GLN H H 143 8.222 8.222 8.623 -0.401 25225 5569 1 15 . 1 1 144 144 SER N N 144 117.221 117.221 120.503 -3.282 25225 5570 1 15 . 1 1 144 144 SER HA H 144 4.830 4.830 4.617 0.213 25225 5571 1 15 . 1 1 144 144 SER CA C 144 53.218 53.218 57.475 -4.258 25225 5572 1 15 . 1 1 144 144 SER CB C 144 60.633 60.633 63.597 -2.965 25225 5573 1 15 . 1 1 144 144 SER H H 144 8.248 8.248 8.584 -0.336 25225 5574 1 15 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.559 0.015 25225 5575 1 15 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.878 -2.838 25225 5576 1 15 . 1 1 145 145 PRO CB C 145 29.313 29.313 30.775 -1.462 25225 5577 1 15 . 1 1 146 146 VAL N N 146 120.628 120.628 120.648 -0.020 25225 5578 1 15 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.468 -0.164 25225 5579 1 15 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.151 -1.811 25225 5580 1 15 . 1 1 146 146 VAL CB C 146 30.060 30.060 35.281 -5.221 25225 5581 1 15 . 1 1 146 146 VAL H H 146 8.330 8.330 7.702 0.628 25225 5582 1 15 . 1 1 147 147 VAL N N 147 116.972 116.972 117.221 -0.249 25225 5583 1 15 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.816 0.888 25225 5584 1 15 . 1 1 147 147 VAL H H 147 9.040 9.040 8.072 0.968 25225 5585 1 15 . 1 1 148 148 THR N N 148 107.103 107.103 110.477 -3.374 25225 5586 1 15 . 1 1 148 148 THR HA H 148 4.906 4.906 4.670 0.236 25225 5587 1 15 . 1 1 148 148 THR CA C 148 58.020 58.020 61.312 -3.292 25225 5588 1 15 . 1 1 148 148 THR CB C 148 67.765 67.765 71.062 -3.297 25225 5589 1 15 . 1 1 148 148 THR H H 148 8.442 8.442 7.998 0.444 25225 5590 1 15 . 1 1 149 149 ARG N N 149 120.370 120.370 127.699 -7.329 25225 5591 1 15 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.980 0.651 25225 5592 1 15 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.342 -3.363 25225 5593 1 15 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.436 0.825 25225 5594 1 15 . 1 1 149 149 ARG H H 149 7.623 7.623 8.497 -0.874 25225 5595 1 15 . 1 1 150 150 SER N N 150 113.789 113.789 119.306 -5.517 25225 5596 1 15 . 1 1 150 150 SER HA H 150 4.790 4.790 4.725 0.065 25225 5597 1 15 . 1 1 150 150 SER CA C 150 54.647 54.647 56.448 -1.801 25225 5598 1 15 . 1 1 150 150 SER CB C 150 63.412 63.412 65.886 -2.474 25225 5599 1 15 . 1 1 150 150 SER H H 150 8.709 8.709 8.172 0.537 25225 5600 1 15 . 1 1 151 151 CYS N N 151 120.824 120.824 120.094 0.730 25225 5601 1 15 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.526 0.615 25225 5602 1 15 . 1 1 151 151 CYS CA C 151 55.095 55.095 58.827 -3.732 25225 5603 1 15 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.143 13.878 25225 5604 1 15 . 1 1 151 151 CYS H H 151 8.473 8.473 8.649 -0.176 25225 5605 1 15 . 1 1 152 152 SER N N 152 115.253 115.253 114.752 0.501 25225 5606 1 15 . 1 1 152 152 SER HA H 152 4.834 4.834 4.690 0.144 25225 5607 1 15 . 1 1 152 152 SER CA C 152 54.771 54.771 57.366 -2.595 25225 5608 1 15 . 1 1 152 152 SER CB C 152 62.761 62.761 64.973 -2.212 25225 5609 1 15 . 1 1 152 152 SER H H 152 9.052 9.052 8.756 0.296 25225 5610 1 15 . 1 1 153 153 SER N N 153 120.787 120.787 120.623 0.164 25225 5611 1 15 . 1 1 153 153 SER HA H 153 4.930 4.930 4.721 0.209 25225 5612 1 15 . 1 1 153 153 SER CA C 153 55.479 55.479 58.083 -2.604 25225 5613 1 15 . 1 1 153 153 SER CB C 153 61.137 61.137 62.941 -1.804 25225 5614 1 15 . 1 1 153 153 SER H H 153 8.783 8.783 8.851 -0.068 25225 5615 1 15 . 1 1 154 154 SER N N 154 117.808 117.808 116.132 1.676 25225 5616 1 15 . 1 1 154 154 SER HA H 154 4.555 4.555 4.647 -0.092 25225 5617 1 15 . 1 1 154 154 SER CA C 154 54.084 54.084 57.756 -3.672 25225 5618 1 15 . 1 1 154 154 SER CB C 154 60.141 60.141 63.510 -3.369 25225 5619 1 15 . 1 1 154 154 SER H H 154 8.300 8.300 7.535 0.765 25225 5620 1 15 . 1 1 155 155 CYS N N 155 125.978 125.978 125.831 0.147 25225 5621 1 15 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.373 -0.001 25225 5622 1 15 . 1 1 155 155 CYS CA C 155 55.638 55.638 60.037 -4.399 25225 5623 1 15 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.272 12.028 25225 5624 1 15 . 1 1 155 155 CYS H H 155 8.668 8.668 8.945 -0.277 25225 5625 1 15 . 1 1 156 156 VAL N N 156 129.527 129.527 125.632 3.895 25225 5626 1 15 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.664 -0.499 25225 5627 1 15 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.208 -1.265 25225 5628 1 15 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.539 -4.158 25225 5629 1 15 . 1 1 156 156 VAL H H 156 8.239 8.239 8.052 0.187 25225 5630 1 15 . 1 1 157 157 ALA N N 157 130.280 130.280 121.670 8.610 25225 5631 1 15 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.707 -0.565 25225 5632 1 15 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.308 -2.261 25225 5633 1 15 . 1 1 157 157 ALA CB C 157 16.567 16.567 20.647 -4.080 25225 5634 1 15 . 1 1 157 157 ALA H H 157 8.414 8.414 8.115 0.299 25225 5635 1 15 . 1 1 158 158 THR N N 158 115.127 115.127 112.511 2.616 25225 5636 1 15 . 1 1 158 158 THR HA H 158 4.214 4.214 4.346 -0.132 25225 5637 1 15 . 1 1 158 158 THR CA C 158 59.207 59.207 61.403 -2.196 25225 5638 1 15 . 1 1 158 158 THR CB C 158 66.814 66.814 69.455 -2.641 25225 5639 1 15 . 1 1 158 158 THR H H 158 8.219 8.219 8.198 0.021 25225 5640 1 15 . 1 1 159 159 ASP N N 159 125.274 125.274 119.813 5.461 25225 5641 1 15 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.677 0.181 25225 5642 1 15 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.522 -3.207 25225 5643 1 15 . 1 1 159 159 ASP CB C 159 38.260 38.260 40.065 -1.805 25225 5644 1 15 . 1 1 159 159 ASP H H 159 8.548 8.548 8.318 0.230 25225 5645 1 15 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.343 0.037 25225 5646 1 15 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.885 -2.566 25225 5647 1 15 . 1 1 160 160 PRO CB C 160 29.002 29.002 31.962 -2.960 25225 5648 1 15 . 1 1 161 161 ASP N N 161 116.981 116.981 118.352 -1.371 25225 5649 1 15 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.529 0.180 25225 5650 1 15 . 1 1 161 161 ASP CA C 161 51.383 51.383 55.153 -3.770 25225 5651 1 15 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.985 -3.376 25225 5652 1 15 . 1 1 161 161 ASP H H 161 8.402 8.402 7.976 0.426 25225 5653 1 15 . 1 1 162 162 SER N N 162 115.678 115.678 111.511 4.167 25225 5654 1 15 . 1 1 162 162 SER HA H 162 4.477 4.477 4.030 0.447 25225 5655 1 15 . 1 1 162 162 SER CA C 162 55.371 55.371 59.410 -4.040 25225 5656 1 15 . 1 1 162 162 SER CB C 162 60.763 60.763 62.203 -1.440 25225 5657 1 15 . 1 1 162 162 SER H H 162 7.865 7.865 8.144 -0.279 25225 5658 1 15 . 1 1 163 163 ILE N N 163 122.425 122.425 121.683 0.742 25225 5659 1 15 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.004 0.186 25225 5660 1 15 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.367 -3.828 25225 5661 1 15 . 1 1 163 163 ILE CB C 163 35.563 35.563 35.112 0.451 25225 5662 1 15 . 1 1 163 163 ILE H H 163 8.098 8.098 8.188 -0.090 25225 5663 1 15 . 1 1 164 164 GLY N N 164 112.830 112.830 114.513 -1.683 25225 5664 1 15 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.936 -3.594 25225 5665 1 15 . 1 1 164 164 GLY H H 164 8.564 8.564 8.119 0.445 25225 5666 1 15 . 1 1 165 165 ALA N N 165 123.606 123.606 122.947 0.659 25225 5667 1 15 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.942 0.376 25225 5668 1 15 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.527 -3.339 25225 5669 1 15 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.893 -1.735 25225 5670 1 15 . 1 1 165 165 ALA H H 165 7.901 7.901 8.144 -0.243 25225 5671 1 15 . 1 1 166 166 ALA N N 166 122.736 122.736 120.051 2.685 25225 5672 1 15 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.093 0.139 25225 5673 1 15 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.232 -3.454 25225 5674 1 15 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.356 -3.185 25225 5675 1 15 . 1 1 166 166 ALA H H 166 8.243 8.243 8.120 0.123 25225 5676 1 15 . 1 1 167 167 HIS N N 167 114.237 114.237 115.421 -1.184 25225 5677 1 15 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.694 0.293 25225 5678 1 15 . 1 1 167 167 HIS CA C 167 51.148 51.148 54.859 -3.711 25225 5679 1 15 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.496 -3.275 25225 5680 1 15 . 1 1 167 167 HIS H H 167 7.931 7.931 7.699 0.232 25225 5681 1 15 . 1 1 168 168 LEU N N 168 123.034 123.034 126.001 -2.967 25225 5682 1 15 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.357 0.123 25225 5683 1 15 . 1 1 168 168 LEU CA C 168 52.044 52.044 55.164 -3.120 25225 5684 1 15 . 1 1 168 168 LEU CB C 168 40.719 40.719 42.176 -1.457 25225 5685 1 15 . 1 1 168 168 LEU H H 168 8.371 8.371 8.708 -0.337 25225 5686 1 15 . 1 1 169 169 ILE N N 169 121.493 121.493 125.181 -3.688 25225 5687 1 15 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.770 0.137 25225 5688 1 15 . 1 1 169 169 ILE CA C 169 56.856 56.856 59.266 -2.410 25225 5689 1 15 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.638 -0.173 25225 5690 1 15 . 1 1 169 169 ILE H H 169 8.097 8.097 8.072 0.025 25225 5691 1 15 . 1 1 170 170 PHE N N 170 125.500 125.500 127.607 -2.107 25225 5692 1 15 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.788 0.142 25225 5693 1 15 . 1 1 170 170 PHE CA C 170 52.803 52.803 56.867 -4.064 25225 5694 1 15 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.061 -3.288 25225 5695 1 15 . 1 1 170 170 PHE H H 170 9.246 9.246 9.029 0.217 25225 5696 1 15 . 1 1 171 171 CYS N N 171 118.630 118.630 119.122 -0.492 25225 5697 1 15 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.475 -0.114 25225 5698 1 15 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.380 -5.511 25225 5699 1 15 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.465 12.906 25225 5700 1 15 . 1 1 171 171 CYS H H 171 8.577 8.577 8.445 0.132 25225 5701 1 15 . 1 1 172 172 CYS N N 172 118.255 118.255 115.700 2.555 25225 5702 1 15 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.720 -0.261 25225 5703 1 15 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.811 -5.919 25225 5704 1 15 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.293 11.838 25225 5705 1 15 . 1 1 172 172 CYS H H 172 8.679 8.679 8.418 0.261 25225 5706 1 15 . 1 1 173 173 PHE N N 173 119.428 119.428 119.621 -0.193 25225 5707 1 15 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.877 0.271 25225 5708 1 15 . 1 1 173 173 PHE CA C 173 55.243 55.243 58.135 -2.892 25225 5709 1 15 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.520 -2.080 25225 5710 1 15 . 1 1 173 173 PHE H H 173 8.810 8.810 8.668 0.142 25225 5711 1 15 . 1 1 174 174 ARG N N 174 119.247 119.247 119.726 -0.479 25225 5712 1 15 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.635 0.139 25225 5713 1 15 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.667 -3.531 25225 5714 1 15 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.634 -2.405 25225 5715 1 15 . 1 1 174 174 ARG H H 174 7.450 7.450 7.803 -0.353 25225 5716 1 15 . 1 1 175 175 ASP N N 175 119.844 119.844 123.958 -4.114 25225 5717 1 15 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.853 -0.007 25225 5718 1 15 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.002 -2.487 25225 5719 1 15 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.612 -2.077 25225 5720 1 15 . 1 1 175 175 ASP H H 175 8.290 8.290 8.624 -0.334 25225 5721 1 15 . 1 1 176 176 LEU N N 176 114.448 114.448 118.394 -3.946 25225 5722 1 15 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.791 -0.447 25225 5723 1 15 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.149 -3.010 25225 5724 1 15 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.910 -5.024 25225 5725 1 15 . 1 1 176 176 LEU H H 176 9.298 9.298 8.381 0.917 25225 5726 1 15 . 1 1 177 177 CYS N N 177 112.101 112.101 115.600 -3.499 25225 5727 1 15 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.207 0.340 25225 5728 1 15 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.248 -6.716 25225 5729 1 15 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.131 14.451 25225 5730 1 15 . 1 1 177 177 CYS H H 177 7.834 7.834 7.967 -0.133 25225 5731 1 15 . 1 1 178 178 ASN N N 178 122.157 122.157 118.947 3.210 25225 5732 1 15 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.803 -0.025 25225 5733 1 15 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.331 -2.767 25225 5734 1 15 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.298 -7.160 25225 5735 1 15 . 1 1 178 178 ASN H H 178 9.014 9.014 7.946 1.068 25225 5736 1 15 . 1 1 179 179 SER N N 179 109.444 109.444 118.387 -8.943 25225 5737 1 15 . 1 1 179 179 SER HA H 179 3.945 3.945 4.044 -0.099 25225 5738 1 15 . 1 1 179 179 SER CA C 179 55.092 55.092 59.793 -4.701 25225 5739 1 15 . 1 1 179 179 SER CB C 179 59.118 59.118 63.529 -4.411 25225 5740 1 15 . 1 1 179 179 SER H H 179 7.482 7.482 8.602 -1.120 25225 5741 1 15 . 1 1 180 180 GLU N N 180 120.035 120.035 121.073 -1.038 25225 5742 1 15 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.194 0.165 25225 5743 1 15 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.453 -4.227 25225 5744 1 15 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.152 -1.713 25225 5745 1 15 . 1 1 180 180 GLU H H 180 7.936 7.936 8.027 -0.091 25225 5746 1 16 . 1 1 101 101 LEU N N 101 127.862 127.862 126.625 1.237 25225 5747 1 16 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.654 -0.020 25225 5748 1 16 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.726 -2.850 25225 5749 1 16 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.405 -0.384 25225 5750 1 16 . 1 1 101 101 LEU H H 101 8.754 8.754 8.700 0.054 25225 5751 1 16 . 1 1 102 102 LYS N N 102 121.006 121.006 125.495 -4.489 25225 5752 1 16 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.146 0.115 25225 5753 1 16 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.400 -3.808 25225 5754 1 16 . 1 1 102 102 LYS CB C 102 32.019 32.019 36.289 -4.271 25225 5755 1 16 . 1 1 102 102 LYS H H 102 7.879 7.879 8.309 -0.430 25225 5756 1 16 . 1 1 103 103 CYS N N 103 117.708 117.708 119.733 -2.025 25225 5757 1 16 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.675 0.271 25225 5758 1 16 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.080 -9.082 25225 5759 1 16 . 1 1 103 103 CYS CB C 103 38.912 38.912 32.186 6.726 25225 5760 1 16 . 1 1 103 103 CYS H H 103 8.427 8.427 8.450 -0.023 25225 5761 1 16 . 1 1 104 104 TYR N N 104 121.098 121.098 120.054 1.044 25225 5762 1 16 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.864 0.272 25225 5763 1 16 . 1 1 104 104 TYR CA C 104 55.542 55.542 57.837 -2.295 25225 5764 1 16 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.205 -2.422 25225 5765 1 16 . 1 1 104 104 TYR H H 104 8.442 8.442 9.063 -0.621 25225 5766 1 16 . 1 1 105 105 THR N N 105 110.634 110.634 114.444 -3.810 25225 5767 1 16 . 1 1 105 105 THR HA H 105 4.624 4.624 4.860 -0.236 25225 5768 1 16 . 1 1 105 105 THR CA C 105 57.375 57.375 60.386 -3.011 25225 5769 1 16 . 1 1 105 105 THR CB C 105 70.082 70.082 70.849 -0.767 25225 5770 1 16 . 1 1 105 105 THR H H 105 9.312 9.312 8.215 1.097 25225 5771 1 16 . 1 1 106 106 CYS N N 106 109.134 109.134 124.154 -15.020 25225 5772 1 16 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.817 0.025 25225 5773 1 16 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.043 -2.809 25225 5774 1 16 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.326 13.772 25225 5775 1 16 . 1 1 106 106 CYS H H 106 8.260 8.260 8.901 -0.641 25225 5776 1 16 . 1 1 107 107 LYS N N 107 120.821 120.821 121.198 -0.377 25225 5777 1 16 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.154 0.214 25225 5778 1 16 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.786 -3.577 25225 5779 1 16 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.686 -2.119 25225 5780 1 16 . 1 1 107 107 LYS H H 107 8.624 8.624 8.604 0.020 25225 5781 1 16 . 1 1 108 108 GLU N N 108 118.533 118.533 117.959 0.574 25225 5782 1 16 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.617 0.111 25225 5783 1 16 . 1 1 108 108 GLU CA C 108 49.712 49.712 54.452 -4.739 25225 5784 1 16 . 1 1 108 108 GLU CB C 108 27.002 27.002 32.352 -5.350 25225 5785 1 16 . 1 1 108 108 GLU H H 108 7.627 7.627 8.035 -0.408 25225 5786 1 16 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.423 0.134 25225 5787 1 16 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.282 -3.649 25225 5788 1 16 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.213 -2.641 25225 5789 1 16 . 1 1 110 110 MET N N 110 122.942 122.942 123.580 -0.638 25225 5790 1 16 . 1 1 110 110 MET HA H 110 4.827 4.827 4.702 0.125 25225 5791 1 16 . 1 1 110 110 MET CA C 110 51.502 51.502 54.253 -2.751 25225 5792 1 16 . 1 1 110 110 MET CB C 110 34.636 34.636 36.315 -1.679 25225 5793 1 16 . 1 1 110 110 MET H H 110 9.017 9.017 7.906 1.111 25225 5794 1 16 . 1 1 111 111 THR N N 111 110.441 110.441 120.455 -10.014 25225 5795 1 16 . 1 1 111 111 THR HA H 111 4.534 4.534 4.257 0.277 25225 5796 1 16 . 1 1 111 111 THR CA C 111 59.025 59.025 63.802 -4.777 25225 5797 1 16 . 1 1 111 111 THR H H 111 8.282 8.282 8.639 -0.357 25225 5798 1 16 . 1 1 112 112 SER N N 112 115.495 115.495 120.469 -4.974 25225 5799 1 16 . 1 1 112 112 SER HA H 112 3.890 3.890 4.641 -0.751 25225 5800 1 16 . 1 1 112 112 SER CA C 112 57.930 57.930 57.220 0.710 25225 5801 1 16 . 1 1 112 112 SER CB C 112 59.493 59.493 64.520 -5.027 25225 5802 1 16 . 1 1 112 112 SER H H 112 8.739 8.739 7.898 0.841 25225 5803 1 16 . 1 1 113 113 ALA N N 113 119.080 119.080 123.429 -4.349 25225 5804 1 16 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.204 -0.189 25225 5805 1 16 . 1 1 113 113 ALA H H 113 8.374 8.374 8.387 -0.013 25225 5806 1 16 . 1 1 114 114 SER N N 114 110.843 110.843 110.546 0.297 25225 5807 1 16 . 1 1 114 114 SER HA H 114 4.515 4.515 4.375 0.140 25225 5808 1 16 . 1 1 114 114 SER CA C 114 55.891 55.891 58.113 -2.222 25225 5809 1 16 . 1 1 114 114 SER CB C 114 61.376 61.376 63.077 -1.700 25225 5810 1 16 . 1 1 114 114 SER H H 114 7.561 7.561 7.769 -0.208 25225 5811 1 16 . 1 1 115 115 CYS N N 115 124.537 124.537 125.739 -1.202 25225 5812 1 16 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.553 0.528 25225 5813 1 16 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.972 -5.745 25225 5814 1 16 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.016 16.048 25225 5815 1 16 . 1 1 115 115 CYS H H 115 7.576 7.576 8.834 -1.258 25225 5816 1 16 . 1 1 116 116 ARG N N 116 121.872 121.872 121.071 0.801 25225 5817 1 16 . 1 1 116 116 ARG HA H 116 4.495 4.495 5.005 -0.510 25225 5818 1 16 . 1 1 116 116 ARG CA C 116 51.903 51.903 54.710 -2.807 25225 5819 1 16 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.205 -2.597 25225 5820 1 16 . 1 1 116 116 ARG H H 116 7.869 7.869 7.385 0.484 25225 5821 1 16 . 1 1 117 117 THR N N 117 119.541 119.541 117.431 2.110 25225 5822 1 16 . 1 1 117 117 THR HA H 117 4.311 4.311 4.645 -0.334 25225 5823 1 16 . 1 1 117 117 THR CA C 117 61.472 61.472 60.888 0.584 25225 5824 1 16 . 1 1 117 117 THR CB C 117 65.543 65.543 71.869 -6.326 25225 5825 1 16 . 1 1 117 117 THR H H 117 8.309 8.309 8.332 -0.023 25225 5826 1 16 . 1 1 118 118 ILE N N 118 129.953 129.953 126.264 3.689 25225 5827 1 16 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.891 0.033 25225 5828 1 16 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.261 -1.910 25225 5829 1 16 . 1 1 118 118 ILE CB C 118 34.735 34.735 36.850 -2.115 25225 5830 1 16 . 1 1 118 118 ILE H H 118 8.949 8.949 8.684 0.265 25225 5831 1 16 . 1 1 119 119 THR N N 119 126.753 126.753 123.433 3.320 25225 5832 1 16 . 1 1 119 119 THR HA H 119 4.475 4.475 4.629 -0.154 25225 5833 1 16 . 1 1 119 119 THR CA C 119 58.200 58.200 60.698 -2.498 25225 5834 1 16 . 1 1 119 119 THR CB C 119 67.794 67.794 71.751 -3.957 25225 5835 1 16 . 1 1 119 119 THR H H 119 8.711 8.711 8.803 -0.092 25225 5836 1 16 . 1 1 120 120 ARG N N 120 126.298 126.298 124.418 1.880 25225 5837 1 16 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.617 -0.324 25225 5838 1 16 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.629 -2.249 25225 5839 1 16 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.363 -3.723 25225 5840 1 16 . 1 1 120 120 ARG H H 120 8.549 8.549 8.479 0.070 25225 5841 1 16 . 1 1 121 121 CYS N N 121 125.959 125.959 124.764 1.195 25225 5842 1 16 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.283 0.491 25225 5843 1 16 . 1 1 121 121 CYS CA C 121 48.887 48.887 59.222 -10.335 25225 5844 1 16 . 1 1 121 121 CYS CB C 121 33.669 33.669 27.880 5.789 25225 5845 1 16 . 1 1 121 121 CYS H H 121 8.747 8.747 8.596 0.151 25225 5846 1 16 . 1 1 122 122 LYS N N 122 119.892 119.892 122.420 -2.528 25225 5847 1 16 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.546 -0.057 25225 5848 1 16 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.836 -2.055 25225 5849 1 16 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.646 -4.188 25225 5850 1 16 . 1 1 122 122 LYS H H 122 8.576 8.576 8.470 0.106 25225 5851 1 16 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.323 -0.074 25225 5852 1 16 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.839 -1.830 25225 5853 1 16 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.189 -3.501 25225 5854 1 16 . 1 1 124 124 GLU N N 124 112.877 112.877 118.455 -5.578 25225 5855 1 16 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.235 -0.013 25225 5856 1 16 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.888 -2.868 25225 5857 1 16 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.264 -3.491 25225 5858 1 16 . 1 1 124 124 GLU H H 124 8.892 8.892 8.340 0.552 25225 5859 1 16 . 1 1 125 125 ASP N N 125 120.983 120.983 119.826 1.157 25225 5860 1 16 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.652 -0.138 25225 5861 1 16 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.316 -1.154 25225 5862 1 16 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.889 -4.814 25225 5863 1 16 . 1 1 125 125 ASP H H 125 7.675 7.675 7.525 0.150 25225 5864 1 16 . 1 1 126 126 THR N N 126 110.714 110.714 108.046 2.668 25225 5865 1 16 . 1 1 126 126 THR HA H 126 4.445 4.445 4.530 -0.085 25225 5866 1 16 . 1 1 126 126 THR CA C 126 57.795 57.795 62.349 -4.554 25225 5867 1 16 . 1 1 126 126 THR CB C 126 68.080 68.080 71.269 -3.189 25225 5868 1 16 . 1 1 126 126 THR H H 126 8.139 8.139 8.708 -0.569 25225 5869 1 16 . 1 1 127 127 ALA N N 127 123.060 123.060 123.653 -0.593 25225 5870 1 16 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.420 0.549 25225 5871 1 16 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.763 -1.937 25225 5872 1 16 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.486 0.525 25225 5873 1 16 . 1 1 127 127 ALA H H 127 8.408 8.408 7.912 0.496 25225 5874 1 16 . 1 1 128 128 CYS N N 128 115.816 115.816 116.844 -1.028 25225 5875 1 16 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.684 0.721 25225 5876 1 16 . 1 1 128 128 CYS CA C 128 49.138 49.138 59.082 -9.944 25225 5877 1 16 . 1 1 128 128 CYS CB C 128 33.728 33.728 31.467 2.261 25225 5878 1 16 . 1 1 128 128 CYS H H 128 8.764 8.764 8.493 0.271 25225 5879 1 16 . 1 1 129 129 MET N N 129 126.078 126.078 119.650 6.428 25225 5880 1 16 . 1 1 129 129 MET HA H 129 5.485 5.485 5.487 -0.002 25225 5881 1 16 . 1 1 129 129 MET CA C 129 51.630 51.630 54.226 -2.596 25225 5882 1 16 . 1 1 129 129 MET CB C 129 35.308 35.308 37.748 -2.440 25225 5883 1 16 . 1 1 129 129 MET H H 129 9.366 9.366 8.758 0.608 25225 5884 1 16 . 1 1 130 130 THR N N 130 123.706 123.706 118.652 5.054 25225 5885 1 16 . 1 1 130 130 THR HA H 130 5.177 5.177 4.923 0.254 25225 5886 1 16 . 1 1 130 130 THR CA C 130 59.260 59.260 61.865 -2.605 25225 5887 1 16 . 1 1 130 130 THR CB C 130 68.549 68.549 72.327 -3.778 25225 5888 1 16 . 1 1 130 130 THR H H 130 8.903 8.903 8.999 -0.096 25225 5889 1 16 . 1 1 131 131 THR N N 131 123.644 123.644 122.214 1.430 25225 5890 1 16 . 1 1 131 131 THR HA H 131 5.110 5.110 5.091 0.019 25225 5891 1 16 . 1 1 131 131 THR CA C 131 58.370 58.370 62.250 -3.880 25225 5892 1 16 . 1 1 131 131 THR CB C 131 66.519 66.519 69.860 -3.341 25225 5893 1 16 . 1 1 131 131 THR H H 131 9.284 9.284 8.690 0.594 25225 5894 1 16 . 1 1 132 132 LEU N N 132 128.424 128.424 129.403 -0.979 25225 5895 1 16 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.795 -0.046 25225 5896 1 16 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.791 -1.875 25225 5897 1 16 . 1 1 132 132 LEU CB C 132 40.734 40.734 46.280 -5.546 25225 5898 1 16 . 1 1 132 132 LEU H H 132 9.132 9.132 8.594 0.538 25225 5899 1 16 . 1 1 133 133 VAL N N 133 126.950 126.950 123.541 3.409 25225 5900 1 16 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.285 -0.212 25225 5901 1 16 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.434 -1.172 25225 5902 1 16 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.326 -3.738 25225 5903 1 16 . 1 1 133 133 VAL H H 133 8.781 8.781 8.494 0.287 25225 5904 1 16 . 1 1 134 134 THR N N 134 115.286 115.286 124.756 -9.470 25225 5905 1 16 . 1 1 134 134 THR HA H 134 4.473 4.473 4.150 0.323 25225 5906 1 16 . 1 1 134 134 THR CA C 134 58.340 58.340 63.320 -4.980 25225 5907 1 16 . 1 1 134 134 THR CB C 134 66.590 66.590 68.416 -1.826 25225 5908 1 16 . 1 1 134 134 THR H H 134 7.870 7.870 8.712 -0.842 25225 5909 1 16 . 1 1 135 135 VAL N N 135 121.196 121.196 127.864 -6.668 25225 5910 1 16 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.631 0.660 25225 5911 1 16 . 1 1 135 135 VAL CA C 135 58.549 58.549 64.203 -5.654 25225 5912 1 16 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.366 -1.162 25225 5913 1 16 . 1 1 135 135 VAL H H 135 8.142 8.142 8.572 -0.430 25225 5914 1 16 . 1 1 136 136 GLU N N 136 123.911 123.911 116.599 7.312 25225 5915 1 16 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.016 0.306 25225 5916 1 16 . 1 1 136 136 GLU CA C 136 53.456 53.456 58.020 -4.564 25225 5917 1 16 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.331 3.057 25225 5918 1 16 . 1 1 136 136 GLU H H 136 8.424 8.424 8.249 0.175 25225 5919 1 16 . 1 1 137 137 ALA N N 137 124.105 124.105 121.358 2.747 25225 5920 1 16 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.140 0.148 25225 5921 1 16 . 1 1 137 137 ALA CA C 137 49.707 49.707 53.370 -3.663 25225 5922 1 16 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.523 -3.230 25225 5923 1 16 . 1 1 137 137 ALA H H 137 8.292 8.292 7.546 0.746 25225 5924 1 16 . 1 1 138 138 GLU N N 138 117.459 117.459 117.369 0.090 25225 5925 1 16 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.377 -0.115 25225 5926 1 16 . 1 1 138 138 GLU CA C 138 53.603 53.603 55.070 -1.467 25225 5927 1 16 . 1 1 138 138 GLU CB C 138 26.856 26.856 31.085 -4.229 25225 5928 1 16 . 1 1 138 138 GLU H H 138 8.137 8.137 7.684 0.453 25225 5929 1 16 . 1 1 139 139 TYR N N 139 119.908 119.908 117.296 2.612 25225 5930 1 16 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.502 0.294 25225 5931 1 16 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.106 -2.422 25225 5932 1 16 . 1 1 139 139 TYR CB C 139 35.389 35.389 39.187 -3.798 25225 5933 1 16 . 1 1 139 139 TYR H H 139 7.916 7.916 8.237 -0.321 25225 5934 1 16 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.184 0.156 25225 5935 1 16 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.241 -2.572 25225 5936 1 16 . 1 1 140 140 PRO CB C 140 28.512 28.512 31.067 -2.555 25225 5937 1 16 . 1 1 141 141 PHE N N 141 117.257 117.257 124.704 -7.447 25225 5938 1 16 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.793 -0.191 25225 5939 1 16 . 1 1 141 141 PHE CA C 141 54.567 54.567 56.428 -1.861 25225 5940 1 16 . 1 1 141 141 PHE CB C 141 35.676 35.676 39.583 -3.907 25225 5941 1 16 . 1 1 141 141 PHE H H 141 7.755 7.755 7.832 -0.077 25225 5942 1 16 . 1 1 142 142 ASN N N 142 118.560 118.560 117.672 0.888 25225 5943 1 16 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.854 -0.199 25225 5944 1 16 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.561 -3.251 25225 5945 1 16 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.723 -3.368 25225 5946 1 16 . 1 1 142 142 ASN H H 142 8.101 8.101 8.633 -0.532 25225 5947 1 16 . 1 1 143 143 GLN N N 143 119.234 119.234 119.791 -0.557 25225 5948 1 16 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.316 0.063 25225 5949 1 16 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.389 -3.467 25225 5950 1 16 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.029 -2.530 25225 5951 1 16 . 1 1 143 143 GLN H H 143 8.222 8.222 8.226 -0.004 25225 5952 1 16 . 1 1 144 144 SER N N 144 117.221 117.221 114.773 2.448 25225 5953 1 16 . 1 1 144 144 SER HA H 144 4.830 4.830 4.405 0.425 25225 5954 1 16 . 1 1 144 144 SER CA C 144 53.218 53.218 58.037 -4.819 25225 5955 1 16 . 1 1 144 144 SER CB C 144 60.633 60.633 63.179 -2.546 25225 5956 1 16 . 1 1 144 144 SER H H 144 8.248 8.248 8.167 0.081 25225 5957 1 16 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.614 -0.040 25225 5958 1 16 . 1 1 145 145 PRO CA C 145 60.040 60.040 63.067 -3.027 25225 5959 1 16 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.304 -2.991 25225 5960 1 16 . 1 1 146 146 VAL N N 146 120.628 120.628 120.396 0.232 25225 5961 1 16 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.404 -0.100 25225 5962 1 16 . 1 1 146 146 VAL CA C 146 58.340 58.340 59.675 -1.335 25225 5963 1 16 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.980 -4.920 25225 5964 1 16 . 1 1 146 146 VAL H H 146 8.330 8.330 8.020 0.310 25225 5965 1 16 . 1 1 147 147 VAL N N 147 116.972 116.972 121.759 -4.787 25225 5966 1 16 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.427 1.277 25225 5967 1 16 . 1 1 147 147 VAL H H 147 9.040 9.040 8.628 0.412 25225 5968 1 16 . 1 1 148 148 THR N N 148 107.103 107.103 112.247 -5.144 25225 5969 1 16 . 1 1 148 148 THR HA H 148 4.906 4.906 4.685 0.221 25225 5970 1 16 . 1 1 148 148 THR CA C 148 58.020 58.020 61.038 -3.018 25225 5971 1 16 . 1 1 148 148 THR CB C 148 67.765 67.765 71.246 -3.481 25225 5972 1 16 . 1 1 148 148 THR H H 148 8.442 8.442 7.987 0.455 25225 5973 1 16 . 1 1 149 149 ARG N N 149 120.370 120.370 128.854 -8.484 25225 5974 1 16 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.874 0.757 25225 5975 1 16 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.441 -3.462 25225 5976 1 16 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.559 0.702 25225 5977 1 16 . 1 1 149 149 ARG H H 149 7.623 7.623 8.985 -1.362 25225 5978 1 16 . 1 1 150 150 SER N N 150 113.789 113.789 119.460 -5.671 25225 5979 1 16 . 1 1 150 150 SER HA H 150 4.790 4.790 4.803 -0.013 25225 5980 1 16 . 1 1 150 150 SER CA C 150 54.647 54.647 57.031 -2.384 25225 5981 1 16 . 1 1 150 150 SER CB C 150 63.412 63.412 66.047 -2.635 25225 5982 1 16 . 1 1 150 150 SER H H 150 8.709 8.709 8.193 0.516 25225 5983 1 16 . 1 1 151 151 CYS N N 151 120.824 120.824 120.019 0.805 25225 5984 1 16 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.372 0.769 25225 5985 1 16 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.498 -4.403 25225 5986 1 16 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.290 14.731 25225 5987 1 16 . 1 1 151 151 CYS H H 151 8.473 8.473 8.632 -0.159 25225 5988 1 16 . 1 1 152 152 SER N N 152 115.253 115.253 114.375 0.878 25225 5989 1 16 . 1 1 152 152 SER HA H 152 4.834 4.834 4.693 0.141 25225 5990 1 16 . 1 1 152 152 SER CA C 152 54.771 54.771 56.965 -2.194 25225 5991 1 16 . 1 1 152 152 SER CB C 152 62.761 62.761 65.135 -2.374 25225 5992 1 16 . 1 1 152 152 SER H H 152 9.052 9.052 8.871 0.181 25225 5993 1 16 . 1 1 153 153 SER N N 153 120.787 120.787 116.941 3.846 25225 5994 1 16 . 1 1 153 153 SER HA H 153 4.930 4.930 4.876 0.054 25225 5995 1 16 . 1 1 153 153 SER CA C 153 55.479 55.479 57.711 -2.232 25225 5996 1 16 . 1 1 153 153 SER CB C 153 61.137 61.137 63.310 -2.173 25225 5997 1 16 . 1 1 153 153 SER H H 153 8.783 8.783 8.539 0.244 25225 5998 1 16 . 1 1 154 154 SER N N 154 117.808 117.808 115.770 2.038 25225 5999 1 16 . 1 1 154 154 SER HA H 154 4.555 4.555 4.695 -0.140 25225 6000 1 16 . 1 1 154 154 SER CA C 154 54.084 54.084 57.871 -3.787 25225 6001 1 16 . 1 1 154 154 SER CB C 154 60.141 60.141 63.239 -3.098 25225 6002 1 16 . 1 1 154 154 SER H H 154 8.300 8.300 7.560 0.740 25225 6003 1 16 . 1 1 155 155 CYS N N 155 125.978 125.978 125.292 0.686 25225 6004 1 16 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.353 0.019 25225 6005 1 16 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.548 -3.910 25225 6006 1 16 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.604 11.696 25225 6007 1 16 . 1 1 155 155 CYS H H 155 8.668 8.668 8.822 -0.154 25225 6008 1 16 . 1 1 156 156 VAL N N 156 129.527 129.527 127.849 1.678 25225 6009 1 16 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.245 -0.080 25225 6010 1 16 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.033 -2.090 25225 6011 1 16 . 1 1 156 156 VAL CB C 156 30.381 30.381 36.111 -5.730 25225 6012 1 16 . 1 1 156 156 VAL H H 156 8.239 8.239 8.305 -0.066 25225 6013 1 16 . 1 1 157 157 ALA N N 157 130.280 130.280 127.930 2.350 25225 6014 1 16 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.609 -0.467 25225 6015 1 16 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.786 -2.740 25225 6016 1 16 . 1 1 157 157 ALA CB C 157 16.567 16.567 20.702 -4.135 25225 6017 1 16 . 1 1 157 157 ALA H H 157 8.414 8.414 8.304 0.110 25225 6018 1 16 . 1 1 158 158 THR N N 158 115.127 115.127 113.357 1.770 25225 6019 1 16 . 1 1 158 158 THR HA H 158 4.214 4.214 4.360 -0.146 25225 6020 1 16 . 1 1 158 158 THR CA C 158 59.207 59.207 61.943 -2.736 25225 6021 1 16 . 1 1 158 158 THR CB C 158 66.814 66.814 69.992 -3.178 25225 6022 1 16 . 1 1 158 158 THR H H 158 8.219 8.219 7.865 0.354 25225 6023 1 16 . 1 1 159 159 ASP N N 159 125.274 125.274 125.639 -0.365 25225 6024 1 16 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.029 -0.171 25225 6025 1 16 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.336 -2.021 25225 6026 1 16 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.296 -4.036 25225 6027 1 16 . 1 1 159 159 ASP H H 159 8.548 8.548 8.403 0.145 25225 6028 1 16 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.427 -0.047 25225 6029 1 16 . 1 1 160 160 PRO CA C 160 61.319 61.319 64.006 -2.687 25225 6030 1 16 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.065 -3.063 25225 6031 1 16 . 1 1 161 161 ASP N N 161 116.981 116.981 117.890 -0.909 25225 6032 1 16 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.671 0.038 25225 6033 1 16 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.175 -2.792 25225 6034 1 16 . 1 1 161 161 ASP CB C 161 37.609 37.609 41.443 -3.834 25225 6035 1 16 . 1 1 161 161 ASP H H 161 8.402 8.402 7.940 0.462 25225 6036 1 16 . 1 1 162 162 SER N N 162 115.678 115.678 112.567 3.111 25225 6037 1 16 . 1 1 162 162 SER HA H 162 4.477 4.477 4.244 0.233 25225 6038 1 16 . 1 1 162 162 SER CA C 162 55.371 55.371 58.365 -2.994 25225 6039 1 16 . 1 1 162 162 SER CB C 162 60.763 60.763 62.605 -1.842 25225 6040 1 16 . 1 1 162 162 SER H H 162 7.865 7.865 8.235 -0.370 25225 6041 1 16 . 1 1 163 163 ILE N N 163 122.425 122.425 118.361 4.064 25225 6042 1 16 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.012 0.178 25225 6043 1 16 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.660 -4.121 25225 6044 1 16 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.230 -2.667 25225 6045 1 16 . 1 1 163 163 ILE H H 163 8.098 8.098 7.832 0.266 25225 6046 1 16 . 1 1 164 164 GLY N N 164 112.830 112.830 105.673 7.157 25225 6047 1 16 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.288 -2.946 25225 6048 1 16 . 1 1 164 164 GLY H H 164 8.564 8.564 7.808 0.756 25225 6049 1 16 . 1 1 165 165 ALA N N 165 123.606 123.606 120.843 2.763 25225 6050 1 16 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.903 0.415 25225 6051 1 16 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.772 -3.584 25225 6052 1 16 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.720 -1.562 25225 6053 1 16 . 1 1 165 165 ALA H H 165 7.901 7.901 8.339 -0.438 25225 6054 1 16 . 1 1 166 166 ALA N N 166 122.736 122.736 119.490 3.246 25225 6055 1 16 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.071 0.161 25225 6056 1 16 . 1 1 166 166 ALA CA C 166 49.778 49.778 53.159 -3.381 25225 6057 1 16 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.139 -2.967 25225 6058 1 16 . 1 1 166 166 ALA H H 166 8.243 8.243 8.390 -0.147 25225 6059 1 16 . 1 1 167 167 HIS N N 167 114.237 114.237 114.350 -0.113 25225 6060 1 16 . 1 1 167 167 HIS HA H 167 4.987 4.987 5.094 -0.107 25225 6061 1 16 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.639 -4.491 25225 6062 1 16 . 1 1 167 167 HIS CB C 167 27.221 27.221 33.300 -6.079 25225 6063 1 16 . 1 1 167 167 HIS H H 167 7.931 7.931 7.525 0.406 25225 6064 1 16 . 1 1 168 168 LEU N N 168 123.034 123.034 123.712 -0.678 25225 6065 1 16 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.758 -0.278 25225 6066 1 16 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.713 -2.669 25225 6067 1 16 . 1 1 168 168 LEU CB C 168 40.719 40.719 46.174 -5.455 25225 6068 1 16 . 1 1 168 168 LEU H H 168 8.371 8.371 8.431 -0.060 25225 6069 1 16 . 1 1 169 169 ILE N N 169 121.493 121.493 123.978 -2.485 25225 6070 1 16 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.788 0.119 25225 6071 1 16 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.587 -3.731 25225 6072 1 16 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.931 -0.467 25225 6073 1 16 . 1 1 169 169 ILE H H 169 8.097 8.097 8.420 -0.323 25225 6074 1 16 . 1 1 170 170 PHE N N 170 125.500 125.500 127.449 -1.949 25225 6075 1 16 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.759 0.171 25225 6076 1 16 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.080 -5.277 25225 6077 1 16 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.654 -3.881 25225 6078 1 16 . 1 1 170 170 PHE H H 170 9.246 9.246 8.680 0.566 25225 6079 1 16 . 1 1 171 171 CYS N N 171 118.630 118.630 114.790 3.840 25225 6080 1 16 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.483 -0.122 25225 6081 1 16 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.230 -6.361 25225 6082 1 16 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.296 12.075 25225 6083 1 16 . 1 1 171 171 CYS H H 171 8.577 8.577 8.323 0.254 25225 6084 1 16 . 1 1 172 172 CYS N N 172 118.255 118.255 114.682 3.573 25225 6085 1 16 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.709 -0.250 25225 6086 1 16 . 1 1 172 172 CYS CA C 172 51.892 51.892 58.316 -6.424 25225 6087 1 16 . 1 1 172 172 CYS CB C 172 41.131 41.131 28.755 12.376 25225 6088 1 16 . 1 1 172 172 CYS H H 172 8.679 8.679 8.542 0.137 25225 6089 1 16 . 1 1 173 173 PHE N N 173 119.428 119.428 119.518 -0.090 25225 6090 1 16 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.857 0.291 25225 6091 1 16 . 1 1 173 173 PHE CA C 173 55.243 55.243 58.038 -2.795 25225 6092 1 16 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.697 -2.256 25225 6093 1 16 . 1 1 173 173 PHE H H 173 8.810 8.810 8.620 0.190 25225 6094 1 16 . 1 1 174 174 ARG N N 174 119.247 119.247 119.667 -0.420 25225 6095 1 16 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.626 0.148 25225 6096 1 16 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.794 -3.658 25225 6097 1 16 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.809 -2.580 25225 6098 1 16 . 1 1 174 174 ARG H H 174 7.450 7.450 7.819 -0.369 25225 6099 1 16 . 1 1 175 175 ASP N N 175 119.844 119.844 123.275 -3.431 25225 6100 1 16 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.855 -0.009 25225 6101 1 16 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.065 -2.551 25225 6102 1 16 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.448 -1.913 25225 6103 1 16 . 1 1 175 175 ASP H H 175 8.290 8.290 8.604 -0.314 25225 6104 1 16 . 1 1 176 176 LEU N N 176 114.448 114.448 118.016 -3.568 25225 6105 1 16 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.768 -0.424 25225 6106 1 16 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.044 -2.905 25225 6107 1 16 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.851 -4.965 25225 6108 1 16 . 1 1 176 176 LEU H H 176 9.298 9.298 8.301 0.997 25225 6109 1 16 . 1 1 177 177 CYS N N 177 112.101 112.101 115.418 -3.317 25225 6110 1 16 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.220 0.328 25225 6111 1 16 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.127 -6.596 25225 6112 1 16 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.090 14.492 25225 6113 1 16 . 1 1 177 177 CYS H H 177 7.834 7.834 8.119 -0.285 25225 6114 1 16 . 1 1 178 178 ASN N N 178 122.157 122.157 116.131 6.026 25225 6115 1 16 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.685 0.093 25225 6116 1 16 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.472 -2.908 25225 6117 1 16 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.133 -6.995 25225 6118 1 16 . 1 1 178 178 ASN H H 178 9.014 9.014 7.922 1.092 25225 6119 1 16 . 1 1 179 179 SER N N 179 109.444 109.444 114.231 -4.787 25225 6120 1 16 . 1 1 179 179 SER HA H 179 3.945 3.945 4.444 -0.499 25225 6121 1 16 . 1 1 179 179 SER CA C 179 55.092 55.092 59.102 -4.010 25225 6122 1 16 . 1 1 179 179 SER CB C 179 59.118 59.118 63.102 -3.984 25225 6123 1 16 . 1 1 179 179 SER H H 179 7.482 7.482 8.511 -1.029 25225 6124 1 16 . 1 1 180 180 GLU N N 180 120.035 120.035 124.542 -4.507 25225 6125 1 16 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.469 -0.110 25225 6126 1 16 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.108 -3.882 25225 6127 1 16 . 1 1 180 180 GLU CB C 180 28.439 28.439 32.569 -4.130 25225 6128 1 16 . 1 1 180 180 GLU H H 180 7.936 7.936 8.341 -0.405 25225 6129 1 17 . 1 1 101 101 LEU N N 101 127.862 127.862 124.064 3.798 25225 6130 1 17 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.591 0.043 25225 6131 1 17 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.784 -2.908 25225 6132 1 17 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.449 -0.428 25225 6133 1 17 . 1 1 101 101 LEU H H 101 8.754 8.754 8.661 0.093 25225 6134 1 17 . 1 1 102 102 LYS N N 102 121.006 121.006 126.461 -5.455 25225 6135 1 17 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.123 0.138 25225 6136 1 17 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.392 -3.800 25225 6137 1 17 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.176 -3.157 25225 6138 1 17 . 1 1 102 102 LYS H H 102 7.879 7.879 8.429 -0.550 25225 6139 1 17 . 1 1 103 103 CYS N N 103 117.708 117.708 121.568 -3.860 25225 6140 1 17 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.782 0.164 25225 6141 1 17 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.041 -9.043 25225 6142 1 17 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.457 7.455 25225 6143 1 17 . 1 1 103 103 CYS H H 103 8.427 8.427 8.456 -0.029 25225 6144 1 17 . 1 1 104 104 TYR N N 104 121.098 121.098 122.905 -1.807 25225 6145 1 17 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.768 0.368 25225 6146 1 17 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.623 -3.081 25225 6147 1 17 . 1 1 104 104 TYR CB C 104 34.783 34.783 37.042 -2.259 25225 6148 1 17 . 1 1 104 104 TYR H H 104 8.442 8.442 8.785 -0.343 25225 6149 1 17 . 1 1 105 105 THR N N 105 110.634 110.634 115.186 -4.552 25225 6150 1 17 . 1 1 105 105 THR HA H 105 4.624 4.624 4.591 0.033 25225 6151 1 17 . 1 1 105 105 THR CA C 105 57.375 57.375 60.650 -3.275 25225 6152 1 17 . 1 1 105 105 THR CB C 105 70.082 70.082 71.012 -0.930 25225 6153 1 17 . 1 1 105 105 THR H H 105 9.312 9.312 7.902 1.410 25225 6154 1 17 . 1 1 106 106 CYS N N 106 109.134 109.134 125.058 -15.924 25225 6155 1 17 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.644 0.198 25225 6156 1 17 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.920 -2.686 25225 6157 1 17 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.171 13.927 25225 6158 1 17 . 1 1 106 106 CYS H H 106 8.260 8.260 8.153 0.107 25225 6159 1 17 . 1 1 107 107 LYS N N 107 120.821 120.821 120.996 -0.175 25225 6160 1 17 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.247 0.121 25225 6161 1 17 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.831 -3.622 25225 6162 1 17 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.827 -2.260 25225 6163 1 17 . 1 1 107 107 LYS H H 107 8.624 8.624 8.581 0.043 25225 6164 1 17 . 1 1 108 108 GLU N N 108 118.533 118.533 118.778 -0.245 25225 6165 1 17 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.692 0.036 25225 6166 1 17 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.613 -3.901 25225 6167 1 17 . 1 1 108 108 GLU CB C 108 27.002 27.002 30.731 -3.729 25225 6168 1 17 . 1 1 108 108 GLU H H 108 7.627 7.627 8.314 -0.687 25225 6169 1 17 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.339 0.218 25225 6170 1 17 . 1 1 109 109 PRO CA C 109 59.633 59.633 63.376 -3.743 25225 6171 1 17 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.199 -3.627 25225 6172 1 17 . 1 1 110 110 MET N N 110 122.942 122.942 122.827 0.115 25225 6173 1 17 . 1 1 110 110 MET HA H 110 4.827 4.827 4.945 -0.118 25225 6174 1 17 . 1 1 110 110 MET CA C 110 51.502 51.502 55.755 -4.253 25225 6175 1 17 . 1 1 110 110 MET CB C 110 34.636 34.636 34.220 0.416 25225 6176 1 17 . 1 1 110 110 MET H H 110 9.017 9.017 8.379 0.638 25225 6177 1 17 . 1 1 111 111 THR N N 111 110.441 110.441 113.708 -3.267 25225 6178 1 17 . 1 1 111 111 THR HA H 111 4.534 4.534 4.313 0.221 25225 6179 1 17 . 1 1 111 111 THR CA C 111 59.025 59.025 63.210 -4.185 25225 6180 1 17 . 1 1 111 111 THR H H 111 8.282 8.282 8.453 -0.171 25225 6181 1 17 . 1 1 112 112 SER N N 112 115.495 115.495 117.470 -1.975 25225 6182 1 17 . 1 1 112 112 SER HA H 112 3.890 3.890 4.327 -0.437 25225 6183 1 17 . 1 1 112 112 SER CA C 112 57.930 57.930 59.313 -1.383 25225 6184 1 17 . 1 1 112 112 SER CB C 112 59.493 59.493 63.328 -3.835 25225 6185 1 17 . 1 1 112 112 SER H H 112 8.739 8.739 8.019 0.720 25225 6186 1 17 . 1 1 113 113 ALA N N 113 119.080 119.080 122.988 -3.908 25225 6187 1 17 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.423 -0.408 25225 6188 1 17 . 1 1 113 113 ALA H H 113 8.374 8.374 7.733 0.641 25225 6189 1 17 . 1 1 114 114 SER N N 114 110.843 110.843 115.136 -4.293 25225 6190 1 17 . 1 1 114 114 SER HA H 114 4.515 4.515 4.518 -0.003 25225 6191 1 17 . 1 1 114 114 SER CA C 114 55.891 55.891 57.788 -1.897 25225 6192 1 17 . 1 1 114 114 SER CB C 114 61.376 61.376 62.452 -1.076 25225 6193 1 17 . 1 1 114 114 SER H H 114 7.561 7.561 8.388 -0.827 25225 6194 1 17 . 1 1 115 115 CYS N N 115 124.537 124.537 127.796 -3.259 25225 6195 1 17 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.385 0.696 25225 6196 1 17 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.924 -5.697 25225 6197 1 17 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.605 16.459 25225 6198 1 17 . 1 1 115 115 CYS H H 115 7.576 7.576 9.056 -1.480 25225 6199 1 17 . 1 1 116 116 ARG N N 116 121.872 121.872 124.102 -2.230 25225 6200 1 17 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.603 -0.108 25225 6201 1 17 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.380 -3.477 25225 6202 1 17 . 1 1 116 116 ARG CB C 116 28.608 28.608 31.310 -2.702 25225 6203 1 17 . 1 1 116 116 ARG H H 116 7.869 7.869 8.018 -0.149 25225 6204 1 17 . 1 1 117 117 THR N N 117 119.541 119.541 116.078 3.463 25225 6205 1 17 . 1 1 117 117 THR HA H 117 4.311 4.311 4.578 -0.267 25225 6206 1 17 . 1 1 117 117 THR CA C 117 61.472 61.472 61.074 0.398 25225 6207 1 17 . 1 1 117 117 THR CB C 117 65.543 65.543 70.474 -4.931 25225 6208 1 17 . 1 1 117 117 THR H H 117 8.309 8.309 8.095 0.214 25225 6209 1 17 . 1 1 118 118 ILE N N 118 129.953 129.953 126.416 3.537 25225 6210 1 17 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.718 0.206 25225 6211 1 17 . 1 1 118 118 ILE CA C 118 60.351 60.351 61.785 -1.434 25225 6212 1 17 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.212 -2.477 25225 6213 1 17 . 1 1 118 118 ILE H H 118 8.949 8.949 8.734 0.215 25225 6214 1 17 . 1 1 119 119 THR N N 119 126.753 126.753 123.717 3.036 25225 6215 1 17 . 1 1 119 119 THR HA H 119 4.475 4.475 4.626 -0.151 25225 6216 1 17 . 1 1 119 119 THR CA C 119 58.200 58.200 60.480 -2.280 25225 6217 1 17 . 1 1 119 119 THR CB C 119 67.794 67.794 71.422 -3.628 25225 6218 1 17 . 1 1 119 119 THR H H 119 8.711 8.711 8.255 0.456 25225 6219 1 17 . 1 1 120 120 ARG N N 120 126.298 126.298 124.832 1.466 25225 6220 1 17 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.460 -0.167 25225 6221 1 17 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.856 -2.476 25225 6222 1 17 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.304 -3.664 25225 6223 1 17 . 1 1 120 120 ARG H H 120 8.549 8.549 8.474 0.075 25225 6224 1 17 . 1 1 121 121 CYS N N 121 125.959 125.959 124.681 1.278 25225 6225 1 17 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.437 0.337 25225 6226 1 17 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.444 -9.557 25225 6227 1 17 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.467 5.202 25225 6228 1 17 . 1 1 121 121 CYS H H 121 8.747 8.747 8.846 -0.099 25225 6229 1 17 . 1 1 122 122 LYS N N 122 119.892 119.892 122.496 -2.604 25225 6230 1 17 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.622 -0.133 25225 6231 1 17 . 1 1 122 122 LYS CA C 122 52.781 52.781 53.857 -1.076 25225 6232 1 17 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.018 -3.560 25225 6233 1 17 . 1 1 122 122 LYS H H 122 8.576 8.576 8.290 0.286 25225 6234 1 17 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.400 -0.151 25225 6235 1 17 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.664 -1.655 25225 6236 1 17 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.117 -3.429 25225 6237 1 17 . 1 1 124 124 GLU N N 124 112.877 112.877 117.395 -4.518 25225 6238 1 17 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.177 0.045 25225 6239 1 17 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.635 -2.615 25225 6240 1 17 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.342 -3.569 25225 6241 1 17 . 1 1 124 124 GLU H H 124 8.892 8.892 8.406 0.486 25225 6242 1 17 . 1 1 125 125 ASP N N 125 120.983 120.983 120.293 0.690 25225 6243 1 17 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.798 -0.284 25225 6244 1 17 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.666 -1.504 25225 6245 1 17 . 1 1 125 125 ASP CB C 125 37.075 37.075 42.332 -5.257 25225 6246 1 17 . 1 1 125 125 ASP H H 125 7.675 7.675 7.418 0.257 25225 6247 1 17 . 1 1 126 126 THR N N 126 110.714 110.714 112.742 -2.028 25225 6248 1 17 . 1 1 126 126 THR HA H 126 4.445 4.445 4.516 -0.071 25225 6249 1 17 . 1 1 126 126 THR CA C 126 57.795 57.795 61.615 -3.820 25225 6250 1 17 . 1 1 126 126 THR CB C 126 68.080 68.080 70.796 -2.716 25225 6251 1 17 . 1 1 126 126 THR H H 126 8.139 8.139 8.026 0.113 25225 6252 1 17 . 1 1 127 127 ALA N N 127 123.060 123.060 122.448 0.612 25225 6253 1 17 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.650 0.319 25225 6254 1 17 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.580 -1.754 25225 6255 1 17 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.644 0.367 25225 6256 1 17 . 1 1 127 127 ALA H H 127 8.408 8.408 7.664 0.744 25225 6257 1 17 . 1 1 128 128 CYS N N 128 115.816 115.816 117.396 -1.580 25225 6258 1 17 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.706 0.699 25225 6259 1 17 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.201 -9.063 25225 6260 1 17 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.876 2.852 25225 6261 1 17 . 1 1 128 128 CYS H H 128 8.764 8.764 8.563 0.201 25225 6262 1 17 . 1 1 129 129 MET N N 129 126.078 126.078 119.436 6.642 25225 6263 1 17 . 1 1 129 129 MET HA H 129 5.485 5.485 4.927 0.558 25225 6264 1 17 . 1 1 129 129 MET CA C 129 51.630 51.630 54.840 -3.211 25225 6265 1 17 . 1 1 129 129 MET CB C 129 35.308 35.308 37.629 -2.321 25225 6266 1 17 . 1 1 129 129 MET H H 129 9.366 9.366 9.182 0.184 25225 6267 1 17 . 1 1 130 130 THR N N 130 123.706 123.706 119.181 4.525 25225 6268 1 17 . 1 1 130 130 THR HA H 130 5.177 5.177 4.992 0.185 25225 6269 1 17 . 1 1 130 130 THR CA C 130 59.260 59.260 61.227 -1.967 25225 6270 1 17 . 1 1 130 130 THR CB C 130 68.549 68.549 72.030 -3.481 25225 6271 1 17 . 1 1 130 130 THR H H 130 8.903 8.903 8.130 0.773 25225 6272 1 17 . 1 1 131 131 THR N N 131 123.644 123.644 121.217 2.427 25225 6273 1 17 . 1 1 131 131 THR HA H 131 5.110 5.110 4.780 0.330 25225 6274 1 17 . 1 1 131 131 THR CA C 131 58.370 58.370 62.193 -3.823 25225 6275 1 17 . 1 1 131 131 THR CB C 131 66.519 66.519 69.643 -3.124 25225 6276 1 17 . 1 1 131 131 THR H H 131 9.284 9.284 8.716 0.568 25225 6277 1 17 . 1 1 132 132 LEU N N 132 128.424 128.424 127.538 0.886 25225 6278 1 17 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.962 -0.213 25225 6279 1 17 . 1 1 132 132 LEU CA C 132 51.916 51.916 54.590 -2.674 25225 6280 1 17 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.405 -4.671 25225 6281 1 17 . 1 1 132 132 LEU H H 132 9.132 9.132 8.649 0.483 25225 6282 1 17 . 1 1 133 133 VAL N N 133 126.950 126.950 121.583 5.367 25225 6283 1 17 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.170 -0.097 25225 6284 1 17 . 1 1 133 133 VAL CA C 133 60.262 60.262 62.296 -2.034 25225 6285 1 17 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.892 -3.304 25225 6286 1 17 . 1 1 133 133 VAL H H 133 8.781 8.781 8.367 0.414 25225 6287 1 17 . 1 1 134 134 THR N N 134 115.286 115.286 116.715 -1.429 25225 6288 1 17 . 1 1 134 134 THR HA H 134 4.473 4.473 4.026 0.447 25225 6289 1 17 . 1 1 134 134 THR CA C 134 58.340 58.340 62.687 -4.347 25225 6290 1 17 . 1 1 134 134 THR CB C 134 66.590 66.590 68.331 -1.741 25225 6291 1 17 . 1 1 134 134 THR H H 134 7.870 7.870 8.072 -0.202 25225 6292 1 17 . 1 1 135 135 VAL N N 135 121.196 121.196 120.474 0.722 25225 6293 1 17 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.331 -0.040 25225 6294 1 17 . 1 1 135 135 VAL CA C 135 58.549 58.549 59.760 -1.211 25225 6295 1 17 . 1 1 135 135 VAL CB C 135 30.204 30.204 33.248 -3.044 25225 6296 1 17 . 1 1 135 135 VAL H H 135 8.142 8.142 7.633 0.509 25225 6297 1 17 . 1 1 136 136 GLU N N 136 123.911 123.911 121.139 2.772 25225 6298 1 17 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.412 -0.090 25225 6299 1 17 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.169 -2.713 25225 6300 1 17 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.341 2.047 25225 6301 1 17 . 1 1 136 136 GLU H H 136 8.424 8.424 8.515 -0.091 25225 6302 1 17 . 1 1 137 137 ALA N N 137 124.105 124.105 127.118 -3.013 25225 6303 1 17 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.090 0.198 25225 6304 1 17 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.672 -1.965 25225 6305 1 17 . 1 1 137 137 ALA CB C 137 16.293 16.293 19.543 -3.250 25225 6306 1 17 . 1 1 137 137 ALA H H 137 8.292 8.292 8.229 0.063 25225 6307 1 17 . 1 1 138 138 GLU N N 138 117.459 117.459 120.775 -3.316 25225 6308 1 17 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.132 0.130 25225 6309 1 17 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.878 -4.275 25225 6310 1 17 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.884 -3.028 25225 6311 1 17 . 1 1 138 138 GLU H H 138 8.137 8.137 8.478 -0.341 25225 6312 1 17 . 1 1 139 139 TYR N N 139 119.908 119.908 117.207 2.701 25225 6313 1 17 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.897 -0.101 25225 6314 1 17 . 1 1 139 139 TYR CA C 139 52.684 52.684 53.512 -0.828 25225 6315 1 17 . 1 1 139 139 TYR CB C 139 35.389 35.389 37.492 -2.103 25225 6316 1 17 . 1 1 139 139 TYR H H 139 7.916 7.916 7.153 0.763 25225 6317 1 17 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.355 -0.015 25225 6318 1 17 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.048 -2.379 25225 6319 1 17 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.537 -4.025 25225 6320 1 17 . 1 1 141 141 PHE N N 141 117.257 117.257 120.554 -3.297 25225 6321 1 17 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.711 -0.108 25225 6322 1 17 . 1 1 141 141 PHE CA C 141 54.567 54.567 57.315 -2.748 25225 6323 1 17 . 1 1 141 141 PHE CB C 141 35.676 35.676 38.769 -3.093 25225 6324 1 17 . 1 1 141 141 PHE H H 141 7.755 7.755 8.079 -0.324 25225 6325 1 17 . 1 1 142 142 ASN N N 142 118.560 118.560 116.618 1.942 25225 6326 1 17 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.435 0.220 25225 6327 1 17 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.650 -3.340 25225 6328 1 17 . 1 1 142 142 ASN CB C 142 35.355 35.355 37.248 -1.893 25225 6329 1 17 . 1 1 142 142 ASN H H 142 8.101 8.101 8.205 -0.104 25225 6330 1 17 . 1 1 143 143 GLN N N 143 119.234 119.234 119.546 -0.312 25225 6331 1 17 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.154 0.225 25225 6332 1 17 . 1 1 143 143 GLN CA C 143 52.922 52.922 57.185 -4.263 25225 6333 1 17 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.008 -2.509 25225 6334 1 17 . 1 1 143 143 GLN H H 143 8.222 8.222 8.404 -0.182 25225 6335 1 17 . 1 1 144 144 SER N N 144 117.221 117.221 114.952 2.269 25225 6336 1 17 . 1 1 144 144 SER HA H 144 4.830 4.830 4.446 0.384 25225 6337 1 17 . 1 1 144 144 SER CA C 144 53.218 53.218 58.359 -5.141 25225 6338 1 17 . 1 1 144 144 SER CB C 144 60.633 60.633 62.387 -1.754 25225 6339 1 17 . 1 1 144 144 SER H H 144 8.248 8.248 8.262 -0.014 25225 6340 1 17 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.491 0.083 25225 6341 1 17 . 1 1 145 145 PRO CA C 145 60.040 60.040 63.133 -3.093 25225 6342 1 17 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.788 -3.475 25225 6343 1 17 . 1 1 146 146 VAL N N 146 120.628 120.628 119.019 1.609 25225 6344 1 17 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.373 -0.069 25225 6345 1 17 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.835 -2.495 25225 6346 1 17 . 1 1 146 146 VAL CB C 146 30.060 30.060 35.233 -5.173 25225 6347 1 17 . 1 1 146 146 VAL H H 146 8.330 8.330 8.084 0.246 25225 6348 1 17 . 1 1 147 147 VAL N N 147 116.972 116.972 121.277 -4.305 25225 6349 1 17 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.660 1.044 25225 6350 1 17 . 1 1 147 147 VAL H H 147 9.040 9.040 8.342 0.698 25225 6351 1 17 . 1 1 148 148 THR N N 148 107.103 107.103 111.445 -4.342 25225 6352 1 17 . 1 1 148 148 THR HA H 148 4.906 4.906 4.694 0.212 25225 6353 1 17 . 1 1 148 148 THR CA C 148 58.020 58.020 61.251 -3.231 25225 6354 1 17 . 1 1 148 148 THR CB C 148 67.765 67.765 71.343 -3.578 25225 6355 1 17 . 1 1 148 148 THR H H 148 8.442 8.442 7.963 0.479 25225 6356 1 17 . 1 1 149 149 ARG N N 149 120.370 120.370 126.355 -5.985 25225 6357 1 17 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.981 0.650 25225 6358 1 17 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.470 -3.491 25225 6359 1 17 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.946 0.315 25225 6360 1 17 . 1 1 149 149 ARG H H 149 7.623 7.623 8.827 -1.204 25225 6361 1 17 . 1 1 150 150 SER N N 150 113.789 113.789 118.332 -4.543 25225 6362 1 17 . 1 1 150 150 SER HA H 150 4.790 4.790 4.798 -0.008 25225 6363 1 17 . 1 1 150 150 SER CA C 150 54.647 54.647 56.641 -1.994 25225 6364 1 17 . 1 1 150 150 SER CB C 150 63.412 63.412 66.017 -2.605 25225 6365 1 17 . 1 1 150 150 SER H H 150 8.709 8.709 8.662 0.047 25225 6366 1 17 . 1 1 151 151 CYS N N 151 120.824 120.824 119.999 0.825 25225 6367 1 17 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.521 0.620 25225 6368 1 17 . 1 1 151 151 CYS CA C 151 55.095 55.095 58.600 -3.505 25225 6369 1 17 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.721 14.300 25225 6370 1 17 . 1 1 151 151 CYS H H 151 8.473 8.473 8.452 0.021 25225 6371 1 17 . 1 1 152 152 SER N N 152 115.253 115.253 115.288 -0.035 25225 6372 1 17 . 1 1 152 152 SER HA H 152 4.834 4.834 4.694 0.140 25225 6373 1 17 . 1 1 152 152 SER CA C 152 54.771 54.771 56.935 -2.164 25225 6374 1 17 . 1 1 152 152 SER CB C 152 62.761 62.761 64.812 -2.051 25225 6375 1 17 . 1 1 152 152 SER H H 152 9.052 9.052 8.698 0.354 25225 6376 1 17 . 1 1 153 153 SER N N 153 120.787 120.787 117.018 3.769 25225 6377 1 17 . 1 1 153 153 SER HA H 153 4.930 4.930 4.710 0.220 25225 6378 1 17 . 1 1 153 153 SER CA C 153 55.479 55.479 57.737 -2.258 25225 6379 1 17 . 1 1 153 153 SER CB C 153 61.137 61.137 63.891 -2.754 25225 6380 1 17 . 1 1 153 153 SER H H 153 8.783 8.783 8.694 0.089 25225 6381 1 17 . 1 1 154 154 SER N N 154 117.808 117.808 116.122 1.686 25225 6382 1 17 . 1 1 154 154 SER HA H 154 4.555 4.555 4.700 -0.145 25225 6383 1 17 . 1 1 154 154 SER CA C 154 54.084 54.084 58.121 -4.037 25225 6384 1 17 . 1 1 154 154 SER CB C 154 60.141 60.141 64.281 -4.140 25225 6385 1 17 . 1 1 154 154 SER H H 154 8.300 8.300 7.626 0.674 25225 6386 1 17 . 1 1 155 155 CYS N N 155 125.978 125.978 125.490 0.488 25225 6387 1 17 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.389 -0.017 25225 6388 1 17 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.907 -4.269 25225 6389 1 17 . 1 1 155 155 CYS CB C 155 37.300 37.300 24.859 12.441 25225 6390 1 17 . 1 1 155 155 CYS H H 155 8.668 8.668 8.826 -0.158 25225 6391 1 17 . 1 1 156 156 VAL N N 156 129.527 129.527 124.220 5.307 25225 6392 1 17 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.315 -0.150 25225 6393 1 17 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.553 -1.610 25225 6394 1 17 . 1 1 156 156 VAL CB C 156 30.381 30.381 35.081 -4.700 25225 6395 1 17 . 1 1 156 156 VAL H H 156 8.239 8.239 7.805 0.434 25225 6396 1 17 . 1 1 157 157 ALA N N 157 130.280 130.280 127.678 2.602 25225 6397 1 17 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.480 -0.338 25225 6398 1 17 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.562 -3.515 25225 6399 1 17 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.871 -2.304 25225 6400 1 17 . 1 1 157 157 ALA H H 157 8.414 8.414 8.355 0.059 25225 6401 1 17 . 1 1 158 158 THR N N 158 115.127 115.127 114.374 0.753 25225 6402 1 17 . 1 1 158 158 THR HA H 158 4.214 4.214 4.439 -0.225 25225 6403 1 17 . 1 1 158 158 THR CA C 158 59.207 59.207 61.437 -2.230 25225 6404 1 17 . 1 1 158 158 THR CB C 158 66.814 66.814 70.565 -3.751 25225 6405 1 17 . 1 1 158 158 THR H H 158 8.219 8.219 8.068 0.151 25225 6406 1 17 . 1 1 159 159 ASP N N 159 125.274 125.274 127.042 -1.768 25225 6407 1 17 . 1 1 159 159 ASP HA H 159 4.858 4.858 5.092 -0.234 25225 6408 1 17 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.031 -1.716 25225 6409 1 17 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.188 -3.928 25225 6410 1 17 . 1 1 159 159 ASP H H 159 8.548 8.548 8.613 -0.065 25225 6411 1 17 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.379 0.001 25225 6412 1 17 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.694 -2.375 25225 6413 1 17 . 1 1 160 160 PRO CB C 160 29.002 29.002 31.962 -2.960 25225 6414 1 17 . 1 1 161 161 ASP N N 161 116.981 116.981 118.733 -1.752 25225 6415 1 17 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.589 0.120 25225 6416 1 17 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.557 -3.175 25225 6417 1 17 . 1 1 161 161 ASP CB C 161 37.609 37.609 41.439 -3.830 25225 6418 1 17 . 1 1 161 161 ASP H H 161 8.402 8.402 7.949 0.453 25225 6419 1 17 . 1 1 162 162 SER N N 162 115.678 115.678 110.222 5.456 25225 6420 1 17 . 1 1 162 162 SER HA H 162 4.477 4.477 4.062 0.415 25225 6421 1 17 . 1 1 162 162 SER CA C 162 55.371 55.371 59.241 -3.870 25225 6422 1 17 . 1 1 162 162 SER CB C 162 60.763 60.763 62.211 -1.448 25225 6423 1 17 . 1 1 162 162 SER H H 162 7.865 7.865 7.898 -0.033 25225 6424 1 17 . 1 1 163 163 ILE N N 163 122.425 122.425 119.606 2.819 25225 6425 1 17 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.152 0.038 25225 6426 1 17 . 1 1 163 163 ILE CA C 163 58.539 58.539 61.877 -3.338 25225 6427 1 17 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.828 -3.265 25225 6428 1 17 . 1 1 163 163 ILE H H 163 8.098 8.098 7.910 0.188 25225 6429 1 17 . 1 1 164 164 GLY N N 164 112.830 112.830 108.879 3.951 25225 6430 1 17 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.665 -2.323 25225 6431 1 17 . 1 1 164 164 GLY H H 164 8.564 8.564 7.661 0.903 25225 6432 1 17 . 1 1 165 165 ALA N N 165 123.606 123.606 123.673 -0.067 25225 6433 1 17 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.982 0.336 25225 6434 1 17 . 1 1 165 165 ALA CA C 165 49.188 49.188 53.119 -3.931 25225 6435 1 17 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.444 -1.286 25225 6436 1 17 . 1 1 165 165 ALA H H 165 7.901 7.901 8.385 -0.484 25225 6437 1 17 . 1 1 166 166 ALA N N 166 122.736 122.736 120.592 2.144 25225 6438 1 17 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.120 0.112 25225 6439 1 17 . 1 1 166 166 ALA CA C 166 49.778 49.778 52.825 -3.047 25225 6440 1 17 . 1 1 166 166 ALA CB C 166 16.171 16.171 20.448 -4.277 25225 6441 1 17 . 1 1 166 166 ALA H H 166 8.243 8.243 7.783 0.460 25225 6442 1 17 . 1 1 167 167 HIS N N 167 114.237 114.237 116.283 -2.046 25225 6443 1 17 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.757 0.230 25225 6444 1 17 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.300 -4.152 25225 6445 1 17 . 1 1 167 167 HIS CB C 167 27.221 27.221 31.832 -4.611 25225 6446 1 17 . 1 1 167 167 HIS H H 167 7.931 7.931 7.729 0.202 25225 6447 1 17 . 1 1 168 168 LEU N N 168 123.034 123.034 125.551 -2.517 25225 6448 1 17 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.521 -0.041 25225 6449 1 17 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.351 -2.307 25225 6450 1 17 . 1 1 168 168 LEU CB C 168 40.719 40.719 42.294 -1.575 25225 6451 1 17 . 1 1 168 168 LEU H H 168 8.371 8.371 8.312 0.059 25225 6452 1 17 . 1 1 169 169 ILE N N 169 121.493 121.493 124.087 -2.594 25225 6453 1 17 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.878 0.029 25225 6454 1 17 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.530 -3.674 25225 6455 1 17 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.951 -1.487 25225 6456 1 17 . 1 1 169 169 ILE H H 169 8.097 8.097 8.366 -0.269 25225 6457 1 17 . 1 1 170 170 PHE N N 170 125.500 125.500 128.833 -3.333 25225 6458 1 17 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.743 0.187 25225 6459 1 17 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.214 -4.411 25225 6460 1 17 . 1 1 170 170 PHE CB C 170 38.773 38.773 41.394 -2.621 25225 6461 1 17 . 1 1 170 170 PHE H H 170 9.246 9.246 8.379 0.867 25225 6462 1 17 . 1 1 171 171 CYS N N 171 118.630 118.630 119.182 -0.552 25225 6463 1 17 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.362 -0.001 25225 6464 1 17 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.545 -5.676 25225 6465 1 17 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.570 12.801 25225 6466 1 17 . 1 1 171 171 CYS H H 171 8.577 8.577 8.469 0.108 25225 6467 1 17 . 1 1 172 172 CYS N N 172 118.255 118.255 115.902 2.353 25225 6468 1 17 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.740 -0.281 25225 6469 1 17 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.653 -5.761 25225 6470 1 17 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.303 11.828 25225 6471 1 17 . 1 1 172 172 CYS H H 172 8.679 8.679 8.448 0.231 25225 6472 1 17 . 1 1 173 173 PHE N N 173 119.428 119.428 118.905 0.523 25225 6473 1 17 . 1 1 173 173 PHE HA H 173 5.148 5.148 5.081 0.067 25225 6474 1 17 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.630 -2.387 25225 6475 1 17 . 1 1 173 173 PHE CB C 173 37.440 37.440 40.056 -2.616 25225 6476 1 17 . 1 1 173 173 PHE H H 173 8.810 8.810 8.631 0.179 25225 6477 1 17 . 1 1 174 174 ARG N N 174 119.247 119.247 120.938 -1.691 25225 6478 1 17 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.622 0.152 25225 6479 1 17 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.820 -3.684 25225 6480 1 17 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.320 -2.091 25225 6481 1 17 . 1 1 174 174 ARG H H 174 7.450 7.450 7.812 -0.362 25225 6482 1 17 . 1 1 175 175 ASP N N 175 119.844 119.844 123.503 -3.659 25225 6483 1 17 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.788 0.058 25225 6484 1 17 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.312 -2.798 25225 6485 1 17 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.427 -1.892 25225 6486 1 17 . 1 1 175 175 ASP H H 175 8.290 8.290 8.629 -0.339 25225 6487 1 17 . 1 1 176 176 LEU N N 176 114.448 114.448 118.682 -4.234 25225 6488 1 17 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.821 -0.477 25225 6489 1 17 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.190 -3.051 25225 6490 1 17 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.878 -4.992 25225 6491 1 17 . 1 1 176 176 LEU H H 176 9.298 9.298 8.745 0.553 25225 6492 1 17 . 1 1 177 177 CYS N N 177 112.101 112.101 115.098 -2.997 25225 6493 1 17 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.211 0.336 25225 6494 1 17 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.026 -6.494 25225 6495 1 17 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.067 14.515 25225 6496 1 17 . 1 1 177 177 CYS H H 177 7.834 7.834 7.987 -0.153 25225 6497 1 17 . 1 1 178 178 ASN N N 178 122.157 122.157 118.928 3.229 25225 6498 1 17 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.751 0.027 25225 6499 1 17 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.526 -2.962 25225 6500 1 17 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.538 -7.400 25225 6501 1 17 . 1 1 178 178 ASN H H 178 9.014 9.014 7.913 1.101 25225 6502 1 17 . 1 1 179 179 SER N N 179 109.444 109.444 115.866 -6.422 25225 6503 1 17 . 1 1 179 179 SER HA H 179 3.945 3.945 4.324 -0.379 25225 6504 1 17 . 1 1 179 179 SER CA C 179 55.092 55.092 57.611 -2.519 25225 6505 1 17 . 1 1 179 179 SER CB C 179 59.118 59.118 62.986 -3.868 25225 6506 1 17 . 1 1 179 179 SER H H 179 7.482 7.482 8.617 -1.135 25225 6507 1 17 . 1 1 180 180 GLU N N 180 120.035 120.035 120.417 -0.382 25225 6508 1 17 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.349 0.010 25225 6509 1 17 . 1 1 180 180 GLU CA C 180 52.226 52.226 55.142 -2.916 25225 6510 1 17 . 1 1 180 180 GLU CB C 180 28.439 28.439 31.365 -2.926 25225 6511 1 17 . 1 1 180 180 GLU H H 180 7.936 7.936 7.804 0.132 25225 6512 1 18 . 1 1 101 101 LEU N N 101 127.862 127.862 124.447 3.415 25225 6513 1 18 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.600 0.034 25225 6514 1 18 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.633 -2.757 25225 6515 1 18 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.329 -0.308 25225 6516 1 18 . 1 1 101 101 LEU H H 101 8.754 8.754 8.624 0.130 25225 6517 1 18 . 1 1 102 102 LYS N N 102 121.006 121.006 125.940 -4.934 25225 6518 1 18 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.234 0.027 25225 6519 1 18 . 1 1 102 102 LYS CA C 102 51.592 51.592 54.898 -3.305 25225 6520 1 18 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.169 -3.150 25225 6521 1 18 . 1 1 102 102 LYS H H 102 7.879 7.879 8.230 -0.351 25225 6522 1 18 . 1 1 103 103 CYS N N 103 117.708 117.708 120.732 -3.024 25225 6523 1 18 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.782 0.164 25225 6524 1 18 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.054 -9.056 25225 6525 1 18 . 1 1 103 103 CYS CB C 103 38.912 38.912 30.928 7.984 25225 6526 1 18 . 1 1 103 103 CYS H H 103 8.427 8.427 8.521 -0.094 25225 6527 1 18 . 1 1 104 104 TYR N N 104 121.098 121.098 122.577 -1.479 25225 6528 1 18 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.624 0.512 25225 6529 1 18 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.260 -2.717 25225 6530 1 18 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.422 -1.639 25225 6531 1 18 . 1 1 104 104 TYR H H 104 8.442 8.442 9.217 -0.775 25225 6532 1 18 . 1 1 105 105 THR N N 105 110.634 110.634 113.928 -3.294 25225 6533 1 18 . 1 1 105 105 THR HA H 105 4.624 4.624 4.821 -0.197 25225 6534 1 18 . 1 1 105 105 THR CA C 105 57.375 57.375 60.547 -3.172 25225 6535 1 18 . 1 1 105 105 THR CB C 105 70.082 70.082 70.749 -0.667 25225 6536 1 18 . 1 1 105 105 THR H H 105 9.312 9.312 8.202 1.110 25225 6537 1 18 . 1 1 106 106 CYS N N 106 109.134 109.134 123.250 -14.116 25225 6538 1 18 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.660 0.182 25225 6539 1 18 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.057 -2.823 25225 6540 1 18 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.305 13.793 25225 6541 1 18 . 1 1 106 106 CYS H H 106 8.260 8.260 8.333 -0.073 25225 6542 1 18 . 1 1 107 107 LYS N N 107 120.821 120.821 121.042 -0.221 25225 6543 1 18 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.348 0.020 25225 6544 1 18 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.735 -3.526 25225 6545 1 18 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.994 -2.427 25225 6546 1 18 . 1 1 107 107 LYS H H 107 8.624 8.624 8.847 -0.223 25225 6547 1 18 . 1 1 108 108 GLU N N 108 118.533 118.533 119.343 -0.810 25225 6548 1 18 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.726 0.002 25225 6549 1 18 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.263 -3.551 25225 6550 1 18 . 1 1 108 108 GLU CB C 108 27.002 27.002 29.732 -2.730 25225 6551 1 18 . 1 1 108 108 GLU H H 108 7.627 7.627 7.999 -0.372 25225 6552 1 18 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.400 0.157 25225 6553 1 18 . 1 1 109 109 PRO CA C 109 59.633 59.633 62.867 -3.234 25225 6554 1 18 . 1 1 109 109 PRO CB C 109 28.572 28.572 31.167 -2.595 25225 6555 1 18 . 1 1 110 110 MET N N 110 122.942 122.942 122.913 0.029 25225 6556 1 18 . 1 1 110 110 MET HA H 110 4.827 4.827 4.558 0.269 25225 6557 1 18 . 1 1 110 110 MET CA C 110 51.502 51.502 56.144 -4.642 25225 6558 1 18 . 1 1 110 110 MET CB C 110 34.636 34.636 34.985 -0.349 25225 6559 1 18 . 1 1 110 110 MET H H 110 9.017 9.017 8.047 0.970 25225 6560 1 18 . 1 1 111 111 THR N N 111 110.441 110.441 117.866 -7.425 25225 6561 1 18 . 1 1 111 111 THR HA H 111 4.534 4.534 3.952 0.582 25225 6562 1 18 . 1 1 111 111 THR CA C 111 59.025 59.025 62.917 -3.892 25225 6563 1 18 . 1 1 111 111 THR H H 111 8.282 8.282 8.663 -0.381 25225 6564 1 18 . 1 1 112 112 SER N N 112 115.495 115.495 116.703 -1.208 25225 6565 1 18 . 1 1 112 112 SER HA H 112 3.890 3.890 4.614 -0.724 25225 6566 1 18 . 1 1 112 112 SER CA C 112 57.930 57.930 57.534 0.396 25225 6567 1 18 . 1 1 112 112 SER CB C 112 59.493 59.493 64.166 -4.673 25225 6568 1 18 . 1 1 112 112 SER H H 112 8.739 8.739 8.157 0.582 25225 6569 1 18 . 1 1 113 113 ALA N N 113 119.080 119.080 128.722 -9.642 25225 6570 1 18 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.176 -0.161 25225 6571 1 18 . 1 1 113 113 ALA H H 113 8.374 8.374 8.772 -0.398 25225 6572 1 18 . 1 1 114 114 SER N N 114 110.843 110.843 113.576 -2.733 25225 6573 1 18 . 1 1 114 114 SER HA H 114 4.515 4.515 4.435 0.080 25225 6574 1 18 . 1 1 114 114 SER CA C 114 55.891 55.891 57.603 -1.712 25225 6575 1 18 . 1 1 114 114 SER CB C 114 61.376 61.376 64.341 -2.965 25225 6576 1 18 . 1 1 114 114 SER H H 114 7.561 7.561 7.649 -0.088 25225 6577 1 18 . 1 1 115 115 CYS N N 115 124.537 124.537 122.843 1.694 25225 6578 1 18 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.246 0.835 25225 6579 1 18 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.676 -6.449 25225 6580 1 18 . 1 1 115 115 CYS CB C 115 41.064 41.064 25.598 15.466 25225 6581 1 18 . 1 1 115 115 CYS H H 115 7.576 7.576 8.245 -0.669 25225 6582 1 18 . 1 1 116 116 ARG N N 116 121.872 121.872 122.827 -0.955 25225 6583 1 18 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.651 -0.156 25225 6584 1 18 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.241 -3.338 25225 6585 1 18 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.677 -4.069 25225 6586 1 18 . 1 1 116 116 ARG H H 116 7.869 7.869 8.133 -0.264 25225 6587 1 18 . 1 1 117 117 THR N N 117 119.541 119.541 116.067 3.474 25225 6588 1 18 . 1 1 117 117 THR HA H 117 4.311 4.311 4.655 -0.344 25225 6589 1 18 . 1 1 117 117 THR CA C 117 61.472 61.472 60.590 0.882 25225 6590 1 18 . 1 1 117 117 THR CB C 117 65.543 65.543 71.971 -6.428 25225 6591 1 18 . 1 1 117 117 THR H H 117 8.309 8.309 8.241 0.068 25225 6592 1 18 . 1 1 118 118 ILE N N 118 129.953 129.953 125.563 4.390 25225 6593 1 18 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.662 0.262 25225 6594 1 18 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.111 -1.760 25225 6595 1 18 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.431 -2.696 25225 6596 1 18 . 1 1 118 118 ILE H H 118 8.949 8.949 8.533 0.416 25225 6597 1 18 . 1 1 119 119 THR N N 119 126.753 126.753 123.822 2.931 25225 6598 1 18 . 1 1 119 119 THR HA H 119 4.475 4.475 4.633 -0.158 25225 6599 1 18 . 1 1 119 119 THR CA C 119 58.200 58.200 60.850 -2.651 25225 6600 1 18 . 1 1 119 119 THR CB C 119 67.794 67.794 72.188 -4.394 25225 6601 1 18 . 1 1 119 119 THR H H 119 8.711 8.711 8.396 0.315 25225 6602 1 18 . 1 1 120 120 ARG N N 120 126.298 126.298 124.739 1.559 25225 6603 1 18 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.495 -0.202 25225 6604 1 18 . 1 1 120 120 ARG CA C 120 53.380 53.380 56.058 -2.678 25225 6605 1 18 . 1 1 120 120 ARG CB C 120 26.640 26.640 29.828 -3.188 25225 6606 1 18 . 1 1 120 120 ARG H H 120 8.549 8.549 8.416 0.133 25225 6607 1 18 . 1 1 121 121 CYS N N 121 125.959 125.959 124.473 1.486 25225 6608 1 18 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.387 0.387 25225 6609 1 18 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.752 -9.865 25225 6610 1 18 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.432 5.237 25225 6611 1 18 . 1 1 121 121 CYS H H 121 8.747 8.747 8.872 -0.125 25225 6612 1 18 . 1 1 122 122 LYS N N 122 119.892 119.892 121.394 -1.502 25225 6613 1 18 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.731 -0.242 25225 6614 1 18 . 1 1 122 122 LYS CA C 122 52.781 52.781 53.428 -0.647 25225 6615 1 18 . 1 1 122 122 LYS CB C 122 27.458 27.458 30.945 -3.487 25225 6616 1 18 . 1 1 122 122 LYS H H 122 8.576 8.576 8.280 0.296 25225 6617 1 18 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.385 -0.136 25225 6618 1 18 . 1 1 123 123 PRO CA C 123 63.009 63.009 65.151 -2.143 25225 6619 1 18 . 1 1 123 123 PRO CB C 123 28.688 28.688 31.860 -3.172 25225 6620 1 18 . 1 1 124 124 GLU N N 124 112.877 112.877 117.835 -4.958 25225 6621 1 18 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.260 -0.038 25225 6622 1 18 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.587 -2.567 25225 6623 1 18 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.291 -3.518 25225 6624 1 18 . 1 1 124 124 GLU H H 124 8.892 8.892 8.385 0.507 25225 6625 1 18 . 1 1 125 125 ASP N N 125 120.983 120.983 118.536 2.447 25225 6626 1 18 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.626 -0.112 25225 6627 1 18 . 1 1 125 125 ASP CA C 125 53.162 53.162 55.292 -2.130 25225 6628 1 18 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.898 -4.823 25225 6629 1 18 . 1 1 125 125 ASP H H 125 7.675 7.675 7.413 0.262 25225 6630 1 18 . 1 1 126 126 THR N N 126 110.714 110.714 110.565 0.149 25225 6631 1 18 . 1 1 126 126 THR HA H 126 4.445 4.445 4.457 -0.012 25225 6632 1 18 . 1 1 126 126 THR CA C 126 57.795 57.795 62.399 -4.604 25225 6633 1 18 . 1 1 126 126 THR CB C 126 68.080 68.080 71.114 -3.034 25225 6634 1 18 . 1 1 126 126 THR H H 126 8.139 8.139 8.489 -0.350 25225 6635 1 18 . 1 1 127 127 ALA N N 127 123.060 123.060 123.715 -0.655 25225 6636 1 18 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.762 0.207 25225 6637 1 18 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.313 -2.487 25225 6638 1 18 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.155 -0.145 25225 6639 1 18 . 1 1 127 127 ALA H H 127 8.408 8.408 8.273 0.135 25225 6640 1 18 . 1 1 128 128 CYS N N 128 115.816 115.816 116.800 -0.984 25225 6641 1 18 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.763 0.642 25225 6642 1 18 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.578 -9.440 25225 6643 1 18 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.992 2.736 25225 6644 1 18 . 1 1 128 128 CYS H H 128 8.764 8.764 8.585 0.179 25225 6645 1 18 . 1 1 129 129 MET N N 129 126.078 126.078 119.783 6.295 25225 6646 1 18 . 1 1 129 129 MET HA H 129 5.485 5.485 5.432 0.053 25225 6647 1 18 . 1 1 129 129 MET CA C 129 51.630 51.630 54.478 -2.849 25225 6648 1 18 . 1 1 129 129 MET CB C 129 35.308 35.308 38.019 -2.711 25225 6649 1 18 . 1 1 129 129 MET H H 129 9.366 9.366 9.162 0.204 25225 6650 1 18 . 1 1 130 130 THR N N 130 123.706 123.706 120.002 3.704 25225 6651 1 18 . 1 1 130 130 THR HA H 130 5.177 5.177 4.911 0.266 25225 6652 1 18 . 1 1 130 130 THR CA C 130 59.260 59.260 62.091 -2.831 25225 6653 1 18 . 1 1 130 130 THR CB C 130 68.549 68.549 72.082 -3.533 25225 6654 1 18 . 1 1 130 130 THR H H 130 8.903 8.903 9.070 -0.167 25225 6655 1 18 . 1 1 131 131 THR N N 131 123.644 123.644 122.847 0.797 25225 6656 1 18 . 1 1 131 131 THR HA H 131 5.110 5.110 5.077 0.033 25225 6657 1 18 . 1 1 131 131 THR CA C 131 58.370 58.370 61.543 -3.173 25225 6658 1 18 . 1 1 131 131 THR CB C 131 66.519 66.519 69.306 -2.787 25225 6659 1 18 . 1 1 131 131 THR H H 131 9.284 9.284 8.842 0.442 25225 6660 1 18 . 1 1 132 132 LEU N N 132 128.424 128.424 128.545 -0.121 25225 6661 1 18 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.882 -0.133 25225 6662 1 18 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.690 -1.774 25225 6663 1 18 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.909 -5.175 25225 6664 1 18 . 1 1 132 132 LEU H H 132 9.132 9.132 8.623 0.509 25225 6665 1 18 . 1 1 133 133 VAL N N 133 126.950 126.950 118.138 8.812 25225 6666 1 18 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.611 -0.538 25225 6667 1 18 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.331 -1.069 25225 6668 1 18 . 1 1 133 133 VAL CB C 133 29.588 29.588 32.458 -2.870 25225 6669 1 18 . 1 1 133 133 VAL H H 133 8.781 8.781 8.265 0.516 25225 6670 1 18 . 1 1 134 134 THR N N 134 115.286 115.286 115.363 -0.077 25225 6671 1 18 . 1 1 134 134 THR HA H 134 4.473 4.473 4.290 0.183 25225 6672 1 18 . 1 1 134 134 THR CA C 134 58.340 58.340 61.601 -3.261 25225 6673 1 18 . 1 1 134 134 THR CB C 134 66.590 66.590 68.845 -2.255 25225 6674 1 18 . 1 1 134 134 THR H H 134 7.870 7.870 8.106 -0.236 25225 6675 1 18 . 1 1 135 135 VAL N N 135 121.196 121.196 122.734 -1.538 25225 6676 1 18 . 1 1 135 135 VAL HA H 135 4.291 4.291 3.850 0.441 25225 6677 1 18 . 1 1 135 135 VAL CA C 135 58.549 58.549 63.396 -4.847 25225 6678 1 18 . 1 1 135 135 VAL CB C 135 30.204 30.204 32.740 -2.536 25225 6679 1 18 . 1 1 135 135 VAL H H 135 8.142 8.142 7.576 0.566 25225 6680 1 18 . 1 1 136 136 GLU N N 136 123.911 123.911 126.799 -2.888 25225 6681 1 18 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.374 -0.052 25225 6682 1 18 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.913 -3.457 25225 6683 1 18 . 1 1 136 136 GLU CB C 136 32.388 32.388 30.074 2.314 25225 6684 1 18 . 1 1 136 136 GLU H H 136 8.424 8.424 8.759 -0.335 25225 6685 1 18 . 1 1 137 137 ALA N N 137 124.105 124.105 123.678 0.427 25225 6686 1 18 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.252 0.036 25225 6687 1 18 . 1 1 137 137 ALA CA C 137 49.707 49.707 53.181 -3.474 25225 6688 1 18 . 1 1 137 137 ALA CB C 137 16.293 16.293 18.648 -2.355 25225 6689 1 18 . 1 1 137 137 ALA H H 137 8.292 8.292 7.772 0.520 25225 6690 1 18 . 1 1 138 138 GLU N N 138 117.459 117.459 118.725 -1.266 25225 6691 1 18 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.365 -0.103 25225 6692 1 18 . 1 1 138 138 GLU CA C 138 53.603 53.603 56.401 -2.798 25225 6693 1 18 . 1 1 138 138 GLU CB C 138 26.856 26.856 30.476 -3.620 25225 6694 1 18 . 1 1 138 138 GLU H H 138 8.137 8.137 8.202 -0.065 25225 6695 1 18 . 1 1 139 139 TYR N N 139 119.908 119.908 123.101 -3.193 25225 6696 1 18 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.617 0.179 25225 6697 1 18 . 1 1 139 139 TYR CA C 139 52.684 52.684 55.673 -2.989 25225 6698 1 18 . 1 1 139 139 TYR CB C 139 35.389 35.389 39.553 -4.164 25225 6699 1 18 . 1 1 139 139 TYR H H 139 7.916 7.916 8.354 -0.438 25225 6700 1 18 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.398 -0.058 25225 6701 1 18 . 1 1 140 140 PRO CA C 140 60.669 60.669 62.536 -1.867 25225 6702 1 18 . 1 1 140 140 PRO CB C 140 28.512 28.512 32.055 -3.543 25225 6703 1 18 . 1 1 141 141 PHE N N 141 117.257 117.257 114.550 2.707 25225 6704 1 18 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.511 0.092 25225 6705 1 18 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.797 -4.230 25225 6706 1 18 . 1 1 141 141 PHE CB C 141 35.676 35.676 38.693 -3.017 25225 6707 1 18 . 1 1 141 141 PHE H H 141 7.755 7.755 7.795 -0.040 25225 6708 1 18 . 1 1 142 142 ASN N N 142 118.560 118.560 116.480 2.080 25225 6709 1 18 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.889 -0.234 25225 6710 1 18 . 1 1 142 142 ASN CA C 142 50.310 50.310 51.360 -1.050 25225 6711 1 18 . 1 1 142 142 ASN CB C 142 35.355 35.355 41.154 -5.799 25225 6712 1 18 . 1 1 142 142 ASN H H 142 8.101 8.101 6.996 1.105 25225 6713 1 18 . 1 1 143 143 GLN N N 143 119.234 119.234 120.618 -1.384 25225 6714 1 18 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.386 -0.007 25225 6715 1 18 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.045 -3.123 25225 6716 1 18 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.396 -2.897 25225 6717 1 18 . 1 1 143 143 GLN H H 143 8.222 8.222 8.497 -0.275 25225 6718 1 18 . 1 1 144 144 SER N N 144 117.221 117.221 114.261 2.960 25225 6719 1 18 . 1 1 144 144 SER HA H 144 4.830 4.830 4.155 0.675 25225 6720 1 18 . 1 1 144 144 SER CA C 144 53.218 53.218 58.002 -4.784 25225 6721 1 18 . 1 1 144 144 SER CB C 144 60.633 60.633 63.393 -2.760 25225 6722 1 18 . 1 1 144 144 SER H H 144 8.248 8.248 8.207 0.041 25225 6723 1 18 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.349 0.225 25225 6724 1 18 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.842 -2.802 25225 6725 1 18 . 1 1 145 145 PRO CB C 145 29.313 29.313 32.464 -3.151 25225 6726 1 18 . 1 1 146 146 VAL N N 146 120.628 120.628 120.969 -0.341 25225 6727 1 18 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.286 0.018 25225 6728 1 18 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.198 -1.858 25225 6729 1 18 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.493 -4.433 25225 6730 1 18 . 1 1 146 146 VAL H H 146 8.330 8.330 7.908 0.422 25225 6731 1 18 . 1 1 147 147 VAL N N 147 116.972 116.972 120.113 -3.141 25225 6732 1 18 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.927 0.777 25225 6733 1 18 . 1 1 147 147 VAL H H 147 9.040 9.040 7.876 1.164 25225 6734 1 18 . 1 1 148 148 THR N N 148 107.103 107.103 111.656 -4.553 25225 6735 1 18 . 1 1 148 148 THR HA H 148 4.906 4.906 4.702 0.204 25225 6736 1 18 . 1 1 148 148 THR CA C 148 58.020 58.020 61.182 -3.162 25225 6737 1 18 . 1 1 148 148 THR CB C 148 67.765 67.765 71.244 -3.479 25225 6738 1 18 . 1 1 148 148 THR H H 148 8.442 8.442 8.082 0.360 25225 6739 1 18 . 1 1 149 149 ARG N N 149 120.370 120.370 126.432 -6.062 25225 6740 1 18 . 1 1 149 149 ARG HA H 149 5.631 5.631 5.007 0.624 25225 6741 1 18 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.419 -3.440 25225 6742 1 18 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.902 0.359 25225 6743 1 18 . 1 1 149 149 ARG H H 149 7.623 7.623 8.639 -1.016 25225 6744 1 18 . 1 1 150 150 SER N N 150 113.789 113.789 118.865 -5.076 25225 6745 1 18 . 1 1 150 150 SER HA H 150 4.790 4.790 4.704 0.086 25225 6746 1 18 . 1 1 150 150 SER CA C 150 54.647 54.647 56.689 -2.042 25225 6747 1 18 . 1 1 150 150 SER CB C 150 63.412 63.412 66.302 -2.890 25225 6748 1 18 . 1 1 150 150 SER H H 150 8.709 8.709 8.195 0.514 25225 6749 1 18 . 1 1 151 151 CYS N N 151 120.824 120.824 120.242 0.582 25225 6750 1 18 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.564 0.577 25225 6751 1 18 . 1 1 151 151 CYS CA C 151 55.095 55.095 58.629 -3.534 25225 6752 1 18 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.042 13.979 25225 6753 1 18 . 1 1 151 151 CYS H H 151 8.473 8.473 8.650 -0.177 25225 6754 1 18 . 1 1 152 152 SER N N 152 115.253 115.253 116.361 -1.108 25225 6755 1 18 . 1 1 152 152 SER HA H 152 4.834 4.834 4.732 0.102 25225 6756 1 18 . 1 1 152 152 SER CA C 152 54.771 54.771 57.222 -2.451 25225 6757 1 18 . 1 1 152 152 SER CB C 152 62.761 62.761 64.954 -2.193 25225 6758 1 18 . 1 1 152 152 SER H H 152 9.052 9.052 8.900 0.152 25225 6759 1 18 . 1 1 153 153 SER N N 153 120.787 120.787 119.445 1.342 25225 6760 1 18 . 1 1 153 153 SER HA H 153 4.930 4.930 4.827 0.103 25225 6761 1 18 . 1 1 153 153 SER CA C 153 55.479 55.479 58.232 -2.753 25225 6762 1 18 . 1 1 153 153 SER CB C 153 61.137 61.137 62.740 -1.603 25225 6763 1 18 . 1 1 153 153 SER H H 153 8.783 8.783 8.908 -0.125 25225 6764 1 18 . 1 1 154 154 SER N N 154 117.808 117.808 115.709 2.099 25225 6765 1 18 . 1 1 154 154 SER HA H 154 4.555 4.555 4.591 -0.036 25225 6766 1 18 . 1 1 154 154 SER CA C 154 54.084 54.084 58.345 -4.261 25225 6767 1 18 . 1 1 154 154 SER CB C 154 60.141 60.141 63.466 -3.325 25225 6768 1 18 . 1 1 154 154 SER H H 154 8.300 8.300 7.644 0.656 25225 6769 1 18 . 1 1 155 155 CYS N N 155 125.978 125.978 126.328 -0.350 25225 6770 1 18 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.377 -0.005 25225 6771 1 18 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.367 -3.729 25225 6772 1 18 . 1 1 155 155 CYS CB C 155 37.300 37.300 24.853 12.447 25225 6773 1 18 . 1 1 155 155 CYS H H 155 8.668 8.668 8.950 -0.282 25225 6774 1 18 . 1 1 156 156 VAL N N 156 129.527 129.527 124.276 5.251 25225 6775 1 18 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.446 -0.281 25225 6776 1 18 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.035 -2.092 25225 6777 1 18 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.607 -4.226 25225 6778 1 18 . 1 1 156 156 VAL H H 156 8.239 8.239 7.763 0.476 25225 6779 1 18 . 1 1 157 157 ALA N N 157 130.280 130.280 129.415 0.865 25225 6780 1 18 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.311 -0.169 25225 6781 1 18 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.749 -3.702 25225 6782 1 18 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.678 -2.111 25225 6783 1 18 . 1 1 157 157 ALA H H 157 8.414 8.414 8.321 0.093 25225 6784 1 18 . 1 1 158 158 THR N N 158 115.127 115.127 115.733 -0.606 25225 6785 1 18 . 1 1 158 158 THR HA H 158 4.214 4.214 4.431 -0.217 25225 6786 1 18 . 1 1 158 158 THR CA C 158 59.207 59.207 61.265 -2.058 25225 6787 1 18 . 1 1 158 158 THR CB C 158 66.814 66.814 70.217 -3.403 25225 6788 1 18 . 1 1 158 158 THR H H 158 8.219 8.219 8.089 0.130 25225 6789 1 18 . 1 1 159 159 ASP N N 159 125.274 125.274 125.051 0.223 25225 6790 1 18 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.943 -0.085 25225 6791 1 18 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.254 -2.938 25225 6792 1 18 . 1 1 159 159 ASP CB C 159 38.260 38.260 41.504 -3.244 25225 6793 1 18 . 1 1 159 159 ASP H H 159 8.548 8.548 8.296 0.252 25225 6794 1 18 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.325 0.055 25225 6795 1 18 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.951 -2.632 25225 6796 1 18 . 1 1 160 160 PRO CB C 160 29.002 29.002 31.988 -2.986 25225 6797 1 18 . 1 1 161 161 ASP N N 161 116.981 116.981 117.312 -0.331 25225 6798 1 18 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.613 0.096 25225 6799 1 18 . 1 1 161 161 ASP CA C 161 51.383 51.383 53.976 -2.593 25225 6800 1 18 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.861 -3.252 25225 6801 1 18 . 1 1 161 161 ASP H H 161 8.402 8.402 8.214 0.188 25225 6802 1 18 . 1 1 162 162 SER N N 162 115.678 115.678 112.749 2.929 25225 6803 1 18 . 1 1 162 162 SER HA H 162 4.477 4.477 4.183 0.294 25225 6804 1 18 . 1 1 162 162 SER CA C 162 55.371 55.371 58.805 -3.434 25225 6805 1 18 . 1 1 162 162 SER CB C 162 60.763 60.763 62.171 -1.408 25225 6806 1 18 . 1 1 162 162 SER H H 162 7.865 7.865 8.168 -0.303 25225 6807 1 18 . 1 1 163 163 ILE N N 163 122.425 122.425 123.671 -1.246 25225 6808 1 18 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.231 -0.041 25225 6809 1 18 . 1 1 163 163 ILE CA C 163 58.539 58.539 61.856 -3.317 25225 6810 1 18 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.425 -2.862 25225 6811 1 18 . 1 1 163 163 ILE H H 163 8.098 8.098 8.438 -0.340 25225 6812 1 18 . 1 1 164 164 GLY N N 164 112.830 112.830 107.409 5.421 25225 6813 1 18 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.369 -3.027 25225 6814 1 18 . 1 1 164 164 GLY H H 164 8.564 8.564 7.897 0.667 25225 6815 1 18 . 1 1 165 165 ALA N N 165 123.606 123.606 121.047 2.559 25225 6816 1 18 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.056 0.262 25225 6817 1 18 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.507 -3.319 25225 6818 1 18 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.932 -1.774 25225 6819 1 18 . 1 1 165 165 ALA H H 165 7.901 7.901 8.093 -0.192 25225 6820 1 18 . 1 1 166 166 ALA N N 166 122.736 122.736 118.109 4.627 25225 6821 1 18 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.134 0.098 25225 6822 1 18 . 1 1 166 166 ALA CA C 166 49.778 49.778 52.941 -3.163 25225 6823 1 18 . 1 1 166 166 ALA CB C 166 16.171 16.171 19.565 -3.394 25225 6824 1 18 . 1 1 166 166 ALA H H 166 8.243 8.243 7.994 0.249 25225 6825 1 18 . 1 1 167 167 HIS N N 167 114.237 114.237 118.427 -4.190 25225 6826 1 18 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.703 0.284 25225 6827 1 18 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.394 -4.246 25225 6828 1 18 . 1 1 167 167 HIS CB C 167 27.221 27.221 28.680 -1.459 25225 6829 1 18 . 1 1 167 167 HIS H H 167 7.931 7.931 7.801 0.130 25225 6830 1 18 . 1 1 168 168 LEU N N 168 123.034 123.034 125.481 -2.447 25225 6831 1 18 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.407 0.073 25225 6832 1 18 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.527 -2.483 25225 6833 1 18 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.005 -0.286 25225 6834 1 18 . 1 1 168 168 LEU H H 168 8.371 8.371 8.045 0.326 25225 6835 1 18 . 1 1 169 169 ILE N N 169 121.493 121.493 125.124 -3.631 25225 6836 1 18 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.768 0.139 25225 6837 1 18 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.448 -3.592 25225 6838 1 18 . 1 1 169 169 ILE CB C 169 37.464 37.464 38.038 -0.574 25225 6839 1 18 . 1 1 169 169 ILE H H 169 8.097 8.097 7.918 0.179 25225 6840 1 18 . 1 1 170 170 PHE N N 170 125.500 125.500 127.339 -1.839 25225 6841 1 18 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.815 0.115 25225 6842 1 18 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.845 -5.042 25225 6843 1 18 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.976 -4.203 25225 6844 1 18 . 1 1 170 170 PHE H H 170 9.246 9.246 8.601 0.645 25225 6845 1 18 . 1 1 171 171 CYS N N 171 118.630 118.630 115.618 3.012 25225 6846 1 18 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.404 -0.043 25225 6847 1 18 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.893 -6.024 25225 6848 1 18 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.266 12.105 25225 6849 1 18 . 1 1 171 171 CYS H H 171 8.577 8.577 8.424 0.153 25225 6850 1 18 . 1 1 172 172 CYS N N 172 118.255 118.255 117.208 1.047 25225 6851 1 18 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.581 -0.122 25225 6852 1 18 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.153 -5.261 25225 6853 1 18 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.781 11.350 25225 6854 1 18 . 1 1 172 172 CYS H H 172 8.679 8.679 8.104 0.575 25225 6855 1 18 . 1 1 173 173 PHE N N 173 119.428 119.428 117.829 1.599 25225 6856 1 18 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.918 0.230 25225 6857 1 18 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.428 -2.185 25225 6858 1 18 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.392 -1.952 25225 6859 1 18 . 1 1 173 173 PHE H H 173 8.810 8.810 8.618 0.192 25225 6860 1 18 . 1 1 174 174 ARG N N 174 119.247 119.247 121.179 -1.932 25225 6861 1 18 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.599 0.175 25225 6862 1 18 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.710 -3.574 25225 6863 1 18 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.195 -1.966 25225 6864 1 18 . 1 1 174 174 ARG H H 174 7.450 7.450 7.760 -0.310 25225 6865 1 18 . 1 1 175 175 ASP N N 175 119.844 119.844 123.911 -4.067 25225 6866 1 18 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.828 0.018 25225 6867 1 18 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.070 -2.556 25225 6868 1 18 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.554 -2.019 25225 6869 1 18 . 1 1 175 175 ASP H H 175 8.290 8.290 8.636 -0.346 25225 6870 1 18 . 1 1 176 176 LEU N N 176 114.448 114.448 119.101 -4.653 25225 6871 1 18 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.867 -0.523 25225 6872 1 18 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.270 -3.131 25225 6873 1 18 . 1 1 176 176 LEU CB C 176 33.886 33.886 39.080 -5.194 25225 6874 1 18 . 1 1 176 176 LEU H H 176 9.298 9.298 8.755 0.543 25225 6875 1 18 . 1 1 177 177 CYS N N 177 112.101 112.101 115.295 -3.194 25225 6876 1 18 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.226 0.321 25225 6877 1 18 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.073 -6.541 25225 6878 1 18 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.219 14.363 25225 6879 1 18 . 1 1 177 177 CYS H H 177 7.834 7.834 7.939 -0.105 25225 6880 1 18 . 1 1 178 178 ASN N N 178 122.157 122.157 118.237 3.920 25225 6881 1 18 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.814 -0.036 25225 6882 1 18 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.198 -2.634 25225 6883 1 18 . 1 1 178 178 ASN CB C 178 33.138 33.138 39.254 -6.116 25225 6884 1 18 . 1 1 178 178 ASN H H 178 9.014 9.014 7.830 1.184 25225 6885 1 18 . 1 1 179 179 SER N N 179 109.444 109.444 116.830 -7.386 25225 6886 1 18 . 1 1 179 179 SER HA H 179 3.945 3.945 3.752 0.193 25225 6887 1 18 . 1 1 179 179 SER CA C 179 55.092 55.092 59.073 -3.981 25225 6888 1 18 . 1 1 179 179 SER CB C 179 59.118 59.118 63.333 -4.215 25225 6889 1 18 . 1 1 179 179 SER H H 179 7.482 7.482 8.654 -1.172 25225 6890 1 18 . 1 1 180 180 GLU N N 180 120.035 120.035 121.417 -1.382 25225 6891 1 18 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.191 0.168 25225 6892 1 18 . 1 1 180 180 GLU CA C 180 52.226 52.226 56.677 -4.451 25225 6893 1 18 . 1 1 180 180 GLU CB C 180 28.439 28.439 29.157 -0.718 25225 6894 1 18 . 1 1 180 180 GLU H H 180 7.936 7.936 8.317 -0.381 25225 6895 1 19 . 1 1 101 101 LEU N N 101 127.862 127.862 126.207 1.655 25225 6896 1 19 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.642 -0.008 25225 6897 1 19 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.855 -2.978 25225 6898 1 19 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.566 -0.545 25225 6899 1 19 . 1 1 101 101 LEU H H 101 8.754 8.754 8.648 0.106 25225 6900 1 19 . 1 1 102 102 LYS N N 102 121.006 121.006 125.971 -4.965 25225 6901 1 19 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.112 0.149 25225 6902 1 19 . 1 1 102 102 LYS CA C 102 51.592 51.592 55.352 -3.760 25225 6903 1 19 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.957 -3.938 25225 6904 1 19 . 1 1 102 102 LYS H H 102 7.879 7.879 8.191 -0.312 25225 6905 1 19 . 1 1 103 103 CYS N N 103 117.708 117.708 120.408 -2.700 25225 6906 1 19 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.717 0.229 25225 6907 1 19 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.151 -9.153 25225 6908 1 19 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.010 7.902 25225 6909 1 19 . 1 1 103 103 CYS H H 103 8.427 8.427 8.494 -0.067 25225 6910 1 19 . 1 1 104 104 TYR N N 104 121.098 121.098 122.530 -1.432 25225 6911 1 19 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.655 0.481 25225 6912 1 19 . 1 1 104 104 TYR CA C 104 55.542 55.542 58.045 -2.503 25225 6913 1 19 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.248 -1.465 25225 6914 1 19 . 1 1 104 104 TYR H H 104 8.442 8.442 9.084 -0.642 25225 6915 1 19 . 1 1 105 105 THR N N 105 110.634 110.634 113.083 -2.449 25225 6916 1 19 . 1 1 105 105 THR HA H 105 4.624 4.624 4.876 -0.252 25225 6917 1 19 . 1 1 105 105 THR CA C 105 57.375 57.375 60.158 -2.783 25225 6918 1 19 . 1 1 105 105 THR CB C 105 70.082 70.082 70.731 -0.649 25225 6919 1 19 . 1 1 105 105 THR H H 105 9.312 9.312 8.159 1.153 25225 6920 1 19 . 1 1 106 106 CYS N N 106 109.134 109.134 124.345 -15.211 25225 6921 1 19 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.764 0.078 25225 6922 1 19 . 1 1 106 106 CYS CA C 106 54.234 54.234 56.655 -2.421 25225 6923 1 19 . 1 1 106 106 CYS CB C 106 43.098 43.098 28.942 14.156 25225 6924 1 19 . 1 1 106 106 CYS H H 106 8.260 8.260 8.460 -0.200 25225 6925 1 19 . 1 1 107 107 LYS N N 107 120.821 120.821 121.574 -0.753 25225 6926 1 19 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.177 0.191 25225 6927 1 19 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.933 -3.724 25225 6928 1 19 . 1 1 107 107 LYS CB C 107 30.567 30.567 32.562 -1.995 25225 6929 1 19 . 1 1 107 107 LYS H H 107 8.624 8.624 8.772 -0.148 25225 6930 1 19 . 1 1 108 108 GLU N N 108 118.533 118.533 120.644 -2.111 25225 6931 1 19 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.761 -0.033 25225 6932 1 19 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.400 -3.688 25225 6933 1 19 . 1 1 108 108 GLU CB C 108 27.002 27.002 30.271 -3.269 25225 6934 1 19 . 1 1 108 108 GLU H H 108 7.627 7.627 8.114 -0.487 25225 6935 1 19 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.476 0.081 25225 6936 1 19 . 1 1 109 109 PRO CA C 109 59.633 59.633 62.580 -2.947 25225 6937 1 19 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.572 -4.000 25225 6938 1 19 . 1 1 110 110 MET N N 110 122.942 122.942 117.405 5.537 25225 6939 1 19 . 1 1 110 110 MET HA H 110 4.827 4.827 4.153 0.674 25225 6940 1 19 . 1 1 110 110 MET CA C 110 51.502 51.502 58.185 -6.683 25225 6941 1 19 . 1 1 110 110 MET CB C 110 34.636 34.636 32.180 2.456 25225 6942 1 19 . 1 1 110 110 MET H H 110 9.017 9.017 8.497 0.520 25225 6943 1 19 . 1 1 111 111 THR N N 111 110.441 110.441 109.011 1.430 25225 6944 1 19 . 1 1 111 111 THR HA H 111 4.534 4.534 4.085 0.449 25225 6945 1 19 . 1 1 111 111 THR CA C 111 59.025 59.025 64.236 -5.211 25225 6946 1 19 . 1 1 111 111 THR H H 111 8.282 8.282 7.854 0.428 25225 6947 1 19 . 1 1 112 112 SER N N 112 115.495 115.495 117.547 -2.052 25225 6948 1 19 . 1 1 112 112 SER HA H 112 3.890 3.890 4.487 -0.597 25225 6949 1 19 . 1 1 112 112 SER CA C 112 57.930 57.930 57.409 0.521 25225 6950 1 19 . 1 1 112 112 SER CB C 112 59.493 59.493 64.590 -5.097 25225 6951 1 19 . 1 1 112 112 SER H H 112 8.739 8.739 7.727 1.012 25225 6952 1 19 . 1 1 113 113 ALA N N 113 119.080 119.080 126.058 -6.978 25225 6953 1 19 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.370 -0.355 25225 6954 1 19 . 1 1 113 113 ALA H H 113 8.374 8.374 8.295 0.079 25225 6955 1 19 . 1 1 114 114 SER N N 114 110.843 110.843 111.865 -1.022 25225 6956 1 19 . 1 1 114 114 SER HA H 114 4.515 4.515 4.077 0.438 25225 6957 1 19 . 1 1 114 114 SER CA C 114 55.891 55.891 58.852 -2.961 25225 6958 1 19 . 1 1 114 114 SER CB C 114 61.376 61.376 61.611 -0.235 25225 6959 1 19 . 1 1 114 114 SER H H 114 7.561 7.561 8.730 -1.169 25225 6960 1 19 . 1 1 115 115 CYS N N 115 124.537 124.537 121.742 2.795 25225 6961 1 19 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.376 0.705 25225 6962 1 19 . 1 1 115 115 CYS CA C 115 53.227 53.227 58.878 -5.651 25225 6963 1 19 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.927 16.137 25225 6964 1 19 . 1 1 115 115 CYS H H 115 7.576 7.576 8.571 -0.995 25225 6965 1 19 . 1 1 116 116 ARG N N 116 121.872 121.872 128.976 -7.104 25225 6966 1 19 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.526 -0.031 25225 6967 1 19 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.761 -3.858 25225 6968 1 19 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.188 -3.580 25225 6969 1 19 . 1 1 116 116 ARG H H 116 7.869 7.869 7.880 -0.011 25225 6970 1 19 . 1 1 117 117 THR N N 117 119.541 119.541 116.522 3.019 25225 6971 1 19 . 1 1 117 117 THR HA H 117 4.311 4.311 4.614 -0.303 25225 6972 1 19 . 1 1 117 117 THR CA C 117 61.472 61.472 61.197 0.275 25225 6973 1 19 . 1 1 117 117 THR CB C 117 65.543 65.543 71.813 -6.270 25225 6974 1 19 . 1 1 117 117 THR H H 117 8.309 8.309 8.334 -0.025 25225 6975 1 19 . 1 1 118 118 ILE N N 118 129.953 129.953 125.798 4.155 25225 6976 1 19 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.868 0.056 25225 6977 1 19 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.150 -1.799 25225 6978 1 19 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.692 -2.957 25225 6979 1 19 . 1 1 118 118 ILE H H 118 8.949 8.949 8.606 0.343 25225 6980 1 19 . 1 1 119 119 THR N N 119 126.753 126.753 123.148 3.605 25225 6981 1 19 . 1 1 119 119 THR HA H 119 4.475 4.475 4.635 -0.160 25225 6982 1 19 . 1 1 119 119 THR CA C 119 58.200 58.200 60.769 -2.569 25225 6983 1 19 . 1 1 119 119 THR CB C 119 67.794 67.794 71.877 -4.083 25225 6984 1 19 . 1 1 119 119 THR H H 119 8.711 8.711 8.346 0.365 25225 6985 1 19 . 1 1 120 120 ARG N N 120 126.298 126.298 124.376 1.922 25225 6986 1 19 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.491 -0.198 25225 6987 1 19 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.808 -2.428 25225 6988 1 19 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.383 -3.743 25225 6989 1 19 . 1 1 120 120 ARG H H 120 8.549 8.549 8.495 0.054 25225 6990 1 19 . 1 1 121 121 CYS N N 121 125.959 125.959 124.583 1.376 25225 6991 1 19 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.393 0.381 25225 6992 1 19 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.707 -9.820 25225 6993 1 19 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.311 5.358 25225 6994 1 19 . 1 1 121 121 CYS H H 121 8.747 8.747 8.636 0.111 25225 6995 1 19 . 1 1 122 122 LYS N N 122 119.892 119.892 121.778 -1.886 25225 6996 1 19 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.504 -0.015 25225 6997 1 19 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.940 -2.159 25225 6998 1 19 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.859 -4.401 25225 6999 1 19 . 1 1 122 122 LYS H H 122 8.576 8.576 8.420 0.156 25225 7000 1 19 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.348 -0.099 25225 7001 1 19 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.640 -1.631 25225 7002 1 19 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.023 -3.335 25225 7003 1 19 . 1 1 124 124 GLU N N 124 112.877 112.877 117.269 -4.392 25225 7004 1 19 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.163 0.059 25225 7005 1 19 . 1 1 124 124 GLU CA C 124 54.020 54.020 57.124 -3.104 25225 7006 1 19 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.026 -3.253 25225 7007 1 19 . 1 1 124 124 GLU H H 124 8.892 8.892 8.584 0.308 25225 7008 1 19 . 1 1 125 125 ASP N N 125 120.983 120.983 120.412 0.571 25225 7009 1 19 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.752 -0.238 25225 7010 1 19 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.734 -1.572 25225 7011 1 19 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.988 -4.913 25225 7012 1 19 . 1 1 125 125 ASP H H 125 7.675 7.675 7.372 0.303 25225 7013 1 19 . 1 1 126 126 THR N N 126 110.714 110.714 111.438 -0.724 25225 7014 1 19 . 1 1 126 126 THR HA H 126 4.445 4.445 4.515 -0.070 25225 7015 1 19 . 1 1 126 126 THR CA C 126 57.795 57.795 61.524 -3.729 25225 7016 1 19 . 1 1 126 126 THR CB C 126 68.080 68.080 70.714 -2.634 25225 7017 1 19 . 1 1 126 126 THR H H 126 8.139 8.139 8.012 0.127 25225 7018 1 19 . 1 1 127 127 ALA N N 127 123.060 123.060 123.151 -0.091 25225 7019 1 19 . 1 1 127 127 ALA HA H 127 4.969 4.969 5.081 -0.112 25225 7020 1 19 . 1 1 127 127 ALA CA C 127 47.826 47.826 50.225 -2.399 25225 7021 1 19 . 1 1 127 127 ALA CB C 127 21.011 21.011 21.653 -0.642 25225 7022 1 19 . 1 1 127 127 ALA H H 127 8.408 8.408 7.844 0.564 25225 7023 1 19 . 1 1 128 128 CYS N N 128 115.816 115.816 117.600 -1.784 25225 7024 1 19 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.760 0.645 25225 7025 1 19 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.485 -9.347 25225 7026 1 19 . 1 1 128 128 CYS CB C 128 33.728 33.728 31.050 2.678 25225 7027 1 19 . 1 1 128 128 CYS H H 128 8.764 8.764 8.627 0.137 25225 7028 1 19 . 1 1 129 129 MET N N 129 126.078 126.078 119.513 6.565 25225 7029 1 19 . 1 1 129 129 MET HA H 129 5.485 5.485 5.424 0.061 25225 7030 1 19 . 1 1 129 129 MET CA C 129 51.630 51.630 54.473 -2.843 25225 7031 1 19 . 1 1 129 129 MET CB C 129 35.308 35.308 38.019 -2.711 25225 7032 1 19 . 1 1 129 129 MET H H 129 9.366 9.366 9.184 0.182 25225 7033 1 19 . 1 1 130 130 THR N N 130 123.706 123.706 121.188 2.518 25225 7034 1 19 . 1 1 130 130 THR HA H 130 5.177 5.177 4.714 0.463 25225 7035 1 19 . 1 1 130 130 THR CA C 130 59.260 59.260 61.752 -2.493 25225 7036 1 19 . 1 1 130 130 THR CB C 130 68.549 68.549 71.166 -2.617 25225 7037 1 19 . 1 1 130 130 THR H H 130 8.903 8.903 9.040 -0.137 25225 7038 1 19 . 1 1 131 131 THR N N 131 123.644 123.644 124.028 -0.384 25225 7039 1 19 . 1 1 131 131 THR HA H 131 5.110 5.110 4.789 0.321 25225 7040 1 19 . 1 1 131 131 THR CA C 131 58.370 58.370 63.158 -4.788 25225 7041 1 19 . 1 1 131 131 THR CB C 131 66.519 66.519 69.062 -2.543 25225 7042 1 19 . 1 1 131 131 THR H H 131 9.284 9.284 8.512 0.772 25225 7043 1 19 . 1 1 132 132 LEU N N 132 128.424 128.424 128.896 -0.472 25225 7044 1 19 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.914 -0.165 25225 7045 1 19 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.694 -1.778 25225 7046 1 19 . 1 1 132 132 LEU CB C 132 40.734 40.734 46.702 -5.968 25225 7047 1 19 . 1 1 132 132 LEU H H 132 9.132 9.132 8.957 0.175 25225 7048 1 19 . 1 1 133 133 VAL N N 133 126.950 126.950 123.111 3.839 25225 7049 1 19 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.531 -0.458 25225 7050 1 19 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.945 -1.683 25225 7051 1 19 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.148 -3.560 25225 7052 1 19 . 1 1 133 133 VAL H H 133 8.781 8.781 8.626 0.155 25225 7053 1 19 . 1 1 134 134 THR N N 134 115.286 115.286 121.883 -6.597 25225 7054 1 19 . 1 1 134 134 THR HA H 134 4.473 4.473 4.767 -0.294 25225 7055 1 19 . 1 1 134 134 THR CA C 134 58.340 58.340 60.605 -2.265 25225 7056 1 19 . 1 1 134 134 THR CB C 134 66.590 66.590 70.594 -4.003 25225 7057 1 19 . 1 1 134 134 THR H H 134 7.870 7.870 8.144 -0.274 25225 7058 1 19 . 1 1 135 135 VAL N N 135 121.196 121.196 120.111 1.085 25225 7059 1 19 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.325 -0.034 25225 7060 1 19 . 1 1 135 135 VAL CA C 135 58.549 58.549 62.400 -3.851 25225 7061 1 19 . 1 1 135 135 VAL CB C 135 30.204 30.204 32.942 -2.738 25225 7062 1 19 . 1 1 135 135 VAL H H 135 8.142 8.142 8.476 -0.334 25225 7063 1 19 . 1 1 136 136 GLU N N 136 123.911 123.911 119.073 4.838 25225 7064 1 19 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.062 0.260 25225 7065 1 19 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.433 -2.977 25225 7066 1 19 . 1 1 136 136 GLU CB C 136 32.388 32.388 29.484 2.904 25225 7067 1 19 . 1 1 136 136 GLU H H 136 8.424 8.424 8.294 0.130 25225 7068 1 19 . 1 1 137 137 ALA N N 137 124.105 124.105 123.619 0.486 25225 7069 1 19 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.363 -0.075 25225 7070 1 19 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.633 -1.926 25225 7071 1 19 . 1 1 137 137 ALA CB C 137 16.293 16.293 20.761 -4.468 25225 7072 1 19 . 1 1 137 137 ALA H H 137 8.292 8.292 7.777 0.515 25225 7073 1 19 . 1 1 138 138 GLU N N 138 117.459 117.459 122.890 -5.431 25225 7074 1 19 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.116 0.146 25225 7075 1 19 . 1 1 138 138 GLU CA C 138 53.603 53.603 56.260 -2.656 25225 7076 1 19 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.916 -3.060 25225 7077 1 19 . 1 1 138 138 GLU H H 138 8.137 8.137 8.496 -0.359 25225 7078 1 19 . 1 1 139 139 TYR N N 139 119.908 119.908 121.686 -1.778 25225 7079 1 19 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.879 -0.083 25225 7080 1 19 . 1 1 139 139 TYR CA C 139 52.684 52.684 53.857 -1.173 25225 7081 1 19 . 1 1 139 139 TYR CB C 139 35.389 35.389 37.896 -2.507 25225 7082 1 19 . 1 1 139 139 TYR H H 139 7.916 7.916 7.694 0.222 25225 7083 1 19 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.643 -0.303 25225 7084 1 19 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.933 -3.264 25225 7085 1 19 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.433 -1.921 25225 7086 1 19 . 1 1 141 141 PHE N N 141 117.257 117.257 124.591 -7.334 25225 7087 1 19 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.548 0.055 25225 7088 1 19 . 1 1 141 141 PHE CA C 141 54.567 54.567 57.831 -3.264 25225 7089 1 19 . 1 1 141 141 PHE CB C 141 35.676 35.676 41.588 -5.912 25225 7090 1 19 . 1 1 141 141 PHE H H 141 7.755 7.755 7.972 -0.217 25225 7091 1 19 . 1 1 142 142 ASN N N 142 118.560 118.560 124.176 -5.616 25225 7092 1 19 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.615 0.040 25225 7093 1 19 . 1 1 142 142 ASN CA C 142 50.310 50.310 53.788 -3.478 25225 7094 1 19 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.407 -3.052 25225 7095 1 19 . 1 1 142 142 ASN H H 142 8.101 8.101 8.427 -0.326 25225 7096 1 19 . 1 1 143 143 GLN N N 143 119.234 119.234 122.971 -3.737 25225 7097 1 19 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.319 0.060 25225 7098 1 19 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.051 -3.129 25225 7099 1 19 . 1 1 143 143 GLN CB C 143 26.499 26.499 28.781 -2.282 25225 7100 1 19 . 1 1 143 143 GLN H H 143 8.222 8.222 8.565 -0.343 25225 7101 1 19 . 1 1 144 144 SER N N 144 117.221 117.221 116.836 0.385 25225 7102 1 19 . 1 1 144 144 SER HA H 144 4.830 4.830 4.396 0.434 25225 7103 1 19 . 1 1 144 144 SER CA C 144 53.218 53.218 57.824 -4.606 25225 7104 1 19 . 1 1 144 144 SER CB C 144 60.633 60.633 63.458 -2.825 25225 7105 1 19 . 1 1 144 144 SER H H 144 8.248 8.248 8.156 0.092 25225 7106 1 19 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.431 0.143 25225 7107 1 19 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.928 -2.888 25225 7108 1 19 . 1 1 145 145 PRO CB C 145 29.313 29.313 31.282 -1.969 25225 7109 1 19 . 1 1 146 146 VAL N N 146 120.628 120.628 123.727 -3.099 25225 7110 1 19 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.316 -0.012 25225 7111 1 19 . 1 1 146 146 VAL CA C 146 58.340 58.340 61.023 -2.683 25225 7112 1 19 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.935 -4.875 25225 7113 1 19 . 1 1 146 146 VAL H H 146 8.330 8.330 7.781 0.549 25225 7114 1 19 . 1 1 147 147 VAL N N 147 116.972 116.972 119.376 -2.404 25225 7115 1 19 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.620 1.084 25225 7116 1 19 . 1 1 147 147 VAL H H 147 9.040 9.040 8.082 0.958 25225 7117 1 19 . 1 1 148 148 THR N N 148 107.103 107.103 115.578 -8.475 25225 7118 1 19 . 1 1 148 148 THR HA H 148 4.906 4.906 4.600 0.306 25225 7119 1 19 . 1 1 148 148 THR CA C 148 58.020 58.020 61.077 -3.057 25225 7120 1 19 . 1 1 148 148 THR CB C 148 67.765 67.765 69.164 -1.399 25225 7121 1 19 . 1 1 148 148 THR H H 148 8.442 8.442 8.231 0.211 25225 7122 1 19 . 1 1 149 149 ARG N N 149 120.370 120.370 128.527 -8.157 25225 7123 1 19 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.745 0.886 25225 7124 1 19 . 1 1 149 149 ARG CA C 149 51.979 51.979 56.201 -4.222 25225 7125 1 19 . 1 1 149 149 ARG CB C 149 33.261 33.261 31.770 1.491 25225 7126 1 19 . 1 1 149 149 ARG H H 149 7.623 7.623 8.395 -0.772 25225 7127 1 19 . 1 1 150 150 SER N N 150 113.789 113.789 118.350 -4.561 25225 7128 1 19 . 1 1 150 150 SER HA H 150 4.790 4.790 4.718 0.072 25225 7129 1 19 . 1 1 150 150 SER CA C 150 54.647 54.647 56.978 -2.331 25225 7130 1 19 . 1 1 150 150 SER CB C 150 63.412 63.412 65.932 -2.520 25225 7131 1 19 . 1 1 150 150 SER H H 150 8.709 8.709 8.384 0.325 25225 7132 1 19 . 1 1 151 151 CYS N N 151 120.824 120.824 119.837 0.987 25225 7133 1 19 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.596 0.545 25225 7134 1 19 . 1 1 151 151 CYS CA C 151 55.095 55.095 58.290 -3.195 25225 7135 1 19 . 1 1 151 151 CYS CB C 151 42.021 42.021 28.056 13.965 25225 7136 1 19 . 1 1 151 151 CYS H H 151 8.473 8.473 8.441 0.032 25225 7137 1 19 . 1 1 152 152 SER N N 152 115.253 115.253 115.656 -0.403 25225 7138 1 19 . 1 1 152 152 SER HA H 152 4.834 4.834 4.814 0.020 25225 7139 1 19 . 1 1 152 152 SER CA C 152 54.771 54.771 56.631 -1.860 25225 7140 1 19 . 1 1 152 152 SER CB C 152 62.761 62.761 64.618 -1.857 25225 7141 1 19 . 1 1 152 152 SER H H 152 9.052 9.052 8.768 0.284 25225 7142 1 19 . 1 1 153 153 SER N N 153 120.787 120.787 116.617 4.170 25225 7143 1 19 . 1 1 153 153 SER HA H 153 4.930 4.930 4.762 0.168 25225 7144 1 19 . 1 1 153 153 SER CA C 153 55.479 55.479 57.550 -2.071 25225 7145 1 19 . 1 1 153 153 SER CB C 153 61.137 61.137 63.099 -1.962 25225 7146 1 19 . 1 1 153 153 SER H H 153 8.783 8.783 8.822 -0.039 25225 7147 1 19 . 1 1 154 154 SER N N 154 117.808 117.808 115.073 2.735 25225 7148 1 19 . 1 1 154 154 SER HA H 154 4.555 4.555 4.643 -0.088 25225 7149 1 19 . 1 1 154 154 SER CA C 154 54.084 54.084 58.271 -4.187 25225 7150 1 19 . 1 1 154 154 SER CB C 154 60.141 60.141 64.316 -4.175 25225 7151 1 19 . 1 1 154 154 SER H H 154 8.300 8.300 7.647 0.653 25225 7152 1 19 . 1 1 155 155 CYS N N 155 125.978 125.978 125.805 0.173 25225 7153 1 19 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.410 -0.038 25225 7154 1 19 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.979 -4.341 25225 7155 1 19 . 1 1 155 155 CYS CB C 155 37.300 37.300 24.839 12.461 25225 7156 1 19 . 1 1 155 155 CYS H H 155 8.668 8.668 8.916 -0.248 25225 7157 1 19 . 1 1 156 156 VAL N N 156 129.527 129.527 127.954 1.573 25225 7158 1 19 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.283 -0.118 25225 7159 1 19 . 1 1 156 156 VAL CA C 156 58.943 58.943 61.181 -2.237 25225 7160 1 19 . 1 1 156 156 VAL CB C 156 30.381 30.381 36.279 -5.898 25225 7161 1 19 . 1 1 156 156 VAL H H 156 8.239 8.239 8.064 0.175 25225 7162 1 19 . 1 1 157 157 ALA N N 157 130.280 130.280 130.602 -0.322 25225 7163 1 19 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.345 -0.203 25225 7164 1 19 . 1 1 157 157 ALA CA C 157 49.047 49.047 52.738 -3.691 25225 7165 1 19 . 1 1 157 157 ALA CB C 157 16.567 16.567 18.732 -2.165 25225 7166 1 19 . 1 1 157 157 ALA H H 157 8.414 8.414 8.429 -0.015 25225 7167 1 19 . 1 1 158 158 THR N N 158 115.127 115.127 116.724 -1.597 25225 7168 1 19 . 1 1 158 158 THR HA H 158 4.214 4.214 4.318 -0.104 25225 7169 1 19 . 1 1 158 158 THR CA C 158 59.207 59.207 62.280 -3.073 25225 7170 1 19 . 1 1 158 158 THR CB C 158 66.814 66.814 70.351 -3.537 25225 7171 1 19 . 1 1 158 158 THR H H 158 8.219 8.219 8.320 -0.101 25225 7172 1 19 . 1 1 159 159 ASP N N 159 125.274 125.274 125.752 -0.478 25225 7173 1 19 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.985 -0.127 25225 7174 1 19 . 1 1 159 159 ASP CA C 159 49.315 49.315 52.767 -3.452 25225 7175 1 19 . 1 1 159 159 ASP CB C 159 38.260 38.260 41.380 -3.120 25225 7176 1 19 . 1 1 159 159 ASP H H 159 8.548 8.548 8.545 0.003 25225 7177 1 19 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.330 0.050 25225 7178 1 19 . 1 1 160 160 PRO CA C 160 61.319 61.319 64.192 -2.873 25225 7179 1 19 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.356 -3.354 25225 7180 1 19 . 1 1 161 161 ASP N N 161 116.981 116.981 118.084 -1.103 25225 7181 1 19 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.559 0.150 25225 7182 1 19 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.592 -3.209 25225 7183 1 19 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.779 -3.170 25225 7184 1 19 . 1 1 161 161 ASP H H 161 8.402 8.402 7.911 0.491 25225 7185 1 19 . 1 1 162 162 SER N N 162 115.678 115.678 112.503 3.175 25225 7186 1 19 . 1 1 162 162 SER HA H 162 4.477 4.477 4.042 0.435 25225 7187 1 19 . 1 1 162 162 SER CA C 162 55.371 55.371 59.508 -4.137 25225 7188 1 19 . 1 1 162 162 SER CB C 162 60.763 60.763 62.026 -1.263 25225 7189 1 19 . 1 1 162 162 SER H H 162 7.865 7.865 8.190 -0.325 25225 7190 1 19 . 1 1 163 163 ILE N N 163 122.425 122.425 118.599 3.826 25225 7191 1 19 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.113 0.077 25225 7192 1 19 . 1 1 163 163 ILE CA C 163 58.539 58.539 62.743 -4.205 25225 7193 1 19 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.213 -2.650 25225 7194 1 19 . 1 1 163 163 ILE H H 163 8.098 8.098 8.062 0.036 25225 7195 1 19 . 1 1 164 164 GLY N N 164 112.830 112.830 106.465 6.365 25225 7196 1 19 . 1 1 164 164 GLY CA C 164 42.342 42.342 44.341 -1.999 25225 7197 1 19 . 1 1 164 164 GLY H H 164 8.564 8.564 7.993 0.571 25225 7198 1 19 . 1 1 165 165 ALA N N 165 123.606 123.606 122.005 1.601 25225 7199 1 19 . 1 1 165 165 ALA HA H 165 4.318 4.318 3.603 0.715 25225 7200 1 19 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.778 -3.590 25225 7201 1 19 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.744 -1.586 25225 7202 1 19 . 1 1 165 165 ALA H H 165 7.901 7.901 7.794 0.107 25225 7203 1 19 . 1 1 166 166 ALA N N 166 122.736 122.736 120.990 1.746 25225 7204 1 19 . 1 1 166 166 ALA HA H 166 4.232 4.232 4.481 -0.249 25225 7205 1 19 . 1 1 166 166 ALA CA C 166 49.778 49.778 50.994 -1.216 25225 7206 1 19 . 1 1 166 166 ALA CB C 166 16.171 16.171 17.912 -1.741 25225 7207 1 19 . 1 1 166 166 ALA H H 166 8.243 8.243 8.159 0.084 25225 7208 1 19 . 1 1 167 167 HIS N N 167 114.237 114.237 117.999 -3.762 25225 7209 1 19 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.422 0.565 25225 7210 1 19 . 1 1 167 167 HIS CA C 167 51.148 51.148 57.857 -6.709 25225 7211 1 19 . 1 1 167 167 HIS CB C 167 27.221 27.221 30.109 -2.888 25225 7212 1 19 . 1 1 167 167 HIS H H 167 7.931 7.931 7.815 0.116 25225 7213 1 19 . 1 1 168 168 LEU N N 168 123.034 123.034 122.044 0.990 25225 7214 1 19 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.513 -0.033 25225 7215 1 19 . 1 1 168 168 LEU CA C 168 52.044 52.044 53.974 -1.930 25225 7216 1 19 . 1 1 168 168 LEU CB C 168 40.719 40.719 39.694 1.025 25225 7217 1 19 . 1 1 168 168 LEU H H 168 8.371 8.371 7.599 0.772 25225 7218 1 19 . 1 1 169 169 ILE N N 169 121.493 121.493 123.749 -2.256 25225 7219 1 19 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.772 0.135 25225 7220 1 19 . 1 1 169 169 ILE CA C 169 56.856 56.856 60.439 -3.583 25225 7221 1 19 . 1 1 169 169 ILE CB C 169 37.464 37.464 37.763 -0.298 25225 7222 1 19 . 1 1 169 169 ILE H H 169 8.097 8.097 7.668 0.429 25225 7223 1 19 . 1 1 170 170 PHE N N 170 125.500 125.500 127.180 -1.680 25225 7224 1 19 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.703 0.227 25225 7225 1 19 . 1 1 170 170 PHE CA C 170 52.803 52.803 58.514 -5.711 25225 7226 1 19 . 1 1 170 170 PHE CB C 170 38.773 38.773 42.092 -3.319 25225 7227 1 19 . 1 1 170 170 PHE H H 170 9.246 9.246 8.190 1.056 25225 7228 1 19 . 1 1 171 171 CYS N N 171 118.630 118.630 114.868 3.762 25225 7229 1 19 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.403 -0.042 25225 7230 1 19 . 1 1 171 171 CYS CA C 171 49.869 49.869 56.203 -6.335 25225 7231 1 19 . 1 1 171 171 CYS CB C 171 42.371 42.371 30.048 12.323 25225 7232 1 19 . 1 1 171 171 CYS H H 171 8.577 8.577 8.245 0.332 25225 7233 1 19 . 1 1 172 172 CYS N N 172 118.255 118.255 115.617 2.638 25225 7234 1 19 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.419 0.040 25225 7235 1 19 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.316 -5.423 25225 7236 1 19 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.407 11.725 25225 7237 1 19 . 1 1 172 172 CYS H H 172 8.679 8.679 8.360 0.319 25225 7238 1 19 . 1 1 173 173 PHE N N 173 119.428 119.428 117.789 1.639 25225 7239 1 19 . 1 1 173 173 PHE HA H 173 5.148 5.148 5.138 0.010 25225 7240 1 19 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.304 -2.061 25225 7241 1 19 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.850 -2.410 25225 7242 1 19 . 1 1 173 173 PHE H H 173 8.810 8.810 8.478 0.332 25225 7243 1 19 . 1 1 174 174 ARG N N 174 119.247 119.247 121.355 -2.108 25225 7244 1 19 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.601 0.173 25225 7245 1 19 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.866 -3.730 25225 7246 1 19 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.307 -2.079 25225 7247 1 19 . 1 1 174 174 ARG H H 174 7.450 7.450 7.764 -0.314 25225 7248 1 19 . 1 1 175 175 ASP N N 175 119.844 119.844 123.401 -3.557 25225 7249 1 19 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.843 0.003 25225 7250 1 19 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.142 -2.628 25225 7251 1 19 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.394 -1.859 25225 7252 1 19 . 1 1 175 175 ASP H H 175 8.290 8.290 8.611 -0.321 25225 7253 1 19 . 1 1 176 176 LEU N N 176 114.448 114.448 118.824 -4.376 25225 7254 1 19 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.698 -0.354 25225 7255 1 19 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.197 -3.058 25225 7256 1 19 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.962 -5.075 25225 7257 1 19 . 1 1 176 176 LEU H H 176 9.298 9.298 8.563 0.735 25225 7258 1 19 . 1 1 177 177 CYS N N 177 112.101 112.101 115.154 -3.053 25225 7259 1 19 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.212 0.335 25225 7260 1 19 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.041 -6.509 25225 7261 1 19 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.204 14.378 25225 7262 1 19 . 1 1 177 177 CYS H H 177 7.834 7.834 7.900 -0.066 25225 7263 1 19 . 1 1 178 178 ASN N N 178 122.157 122.157 118.916 3.241 25225 7264 1 19 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.782 -0.004 25225 7265 1 19 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.227 -2.663 25225 7266 1 19 . 1 1 178 178 ASN CB C 178 33.138 33.138 39.542 -6.404 25225 7267 1 19 . 1 1 178 178 ASN H H 178 9.014 9.014 7.889 1.125 25225 7268 1 19 . 1 1 179 179 SER N N 179 109.444 109.444 115.349 -5.905 25225 7269 1 19 . 1 1 179 179 SER HA H 179 3.945 3.945 4.286 -0.341 25225 7270 1 19 . 1 1 179 179 SER CA C 179 55.092 55.092 58.067 -2.975 25225 7271 1 19 . 1 1 179 179 SER CB C 179 59.118 59.118 63.946 -4.828 25225 7272 1 19 . 1 1 179 179 SER H H 179 7.482 7.482 8.678 -1.196 25225 7273 1 19 . 1 1 180 180 GLU N N 180 120.035 120.035 121.309 -1.274 25225 7274 1 19 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.340 0.019 25225 7275 1 19 . 1 1 180 180 GLU CA C 180 52.226 52.226 57.075 -4.849 25225 7276 1 19 . 1 1 180 180 GLU CB C 180 28.439 28.439 30.703 -2.264 25225 7277 1 19 . 1 1 180 180 GLU H H 180 7.936 7.936 8.112 -0.176 25225 7278 1 20 . 1 1 101 101 LEU N N 101 127.862 127.862 124.321 3.541 25225 7279 1 20 . 1 1 101 101 LEU HA H 101 4.634 4.634 4.585 0.049 25225 7280 1 20 . 1 1 101 101 LEU CA C 101 51.876 51.876 54.649 -2.773 25225 7281 1 20 . 1 1 101 101 LEU CB C 101 42.021 42.021 42.319 -0.298 25225 7282 1 20 . 1 1 101 101 LEU H H 101 8.754 8.754 8.628 0.126 25225 7283 1 20 . 1 1 102 102 LYS N N 102 121.006 121.006 125.912 -4.906 25225 7284 1 20 . 1 1 102 102 LYS HA H 102 5.261 5.261 5.227 0.034 25225 7285 1 20 . 1 1 102 102 LYS CA C 102 51.592 51.592 54.907 -3.315 25225 7286 1 20 . 1 1 102 102 LYS CB C 102 32.019 32.019 35.138 -3.119 25225 7287 1 20 . 1 1 102 102 LYS H H 102 7.879 7.879 8.272 -0.393 25225 7288 1 20 . 1 1 103 103 CYS N N 103 117.708 117.708 121.194 -3.486 25225 7289 1 20 . 1 1 103 103 CYS HA H 103 4.946 4.946 4.765 0.181 25225 7290 1 20 . 1 1 103 103 CYS CA C 103 48.998 48.998 58.130 -9.133 25225 7291 1 20 . 1 1 103 103 CYS CB C 103 38.912 38.912 31.340 7.572 25225 7292 1 20 . 1 1 103 103 CYS H H 103 8.427 8.427 8.549 -0.122 25225 7293 1 20 . 1 1 104 104 TYR N N 104 121.098 121.098 123.041 -1.943 25225 7294 1 20 . 1 1 104 104 TYR HA H 104 5.136 5.136 4.558 0.578 25225 7295 1 20 . 1 1 104 104 TYR CA C 104 55.542 55.542 57.455 -1.913 25225 7296 1 20 . 1 1 104 104 TYR CB C 104 34.783 34.783 36.341 -1.558 25225 7297 1 20 . 1 1 104 104 TYR H H 104 8.442 8.442 8.801 -0.359 25225 7298 1 20 . 1 1 105 105 THR N N 105 110.634 110.634 114.130 -3.496 25225 7299 1 20 . 1 1 105 105 THR HA H 105 4.624 4.624 4.656 -0.032 25225 7300 1 20 . 1 1 105 105 THR CA C 105 57.375 57.375 60.672 -3.297 25225 7301 1 20 . 1 1 105 105 THR CB C 105 70.082 70.082 70.601 -0.519 25225 7302 1 20 . 1 1 105 105 THR H H 105 9.312 9.312 8.236 1.076 25225 7303 1 20 . 1 1 106 106 CYS N N 106 109.134 109.134 125.143 -16.009 25225 7304 1 20 . 1 1 106 106 CYS HA H 106 4.842 4.842 4.591 0.251 25225 7305 1 20 . 1 1 106 106 CYS CA C 106 54.234 54.234 57.349 -3.115 25225 7306 1 20 . 1 1 106 106 CYS CB C 106 43.098 43.098 29.445 13.653 25225 7307 1 20 . 1 1 106 106 CYS H H 106 8.260 8.260 8.260 -0.000 25225 7308 1 20 . 1 1 107 107 LYS N N 107 120.821 120.821 120.738 0.083 25225 7309 1 20 . 1 1 107 107 LYS HA H 107 4.368 4.368 4.385 -0.017 25225 7310 1 20 . 1 1 107 107 LYS CA C 107 54.209 54.209 57.050 -2.841 25225 7311 1 20 . 1 1 107 107 LYS CB C 107 30.567 30.567 33.135 -2.568 25225 7312 1 20 . 1 1 107 107 LYS H H 107 8.624 8.624 8.770 -0.146 25225 7313 1 20 . 1 1 108 108 GLU N N 108 118.533 118.533 119.769 -1.236 25225 7314 1 20 . 1 1 108 108 GLU HA H 108 4.728 4.728 4.765 -0.037 25225 7315 1 20 . 1 1 108 108 GLU CA C 108 49.712 49.712 53.782 -4.070 25225 7316 1 20 . 1 1 108 108 GLU CB C 108 27.002 27.002 29.100 -2.098 25225 7317 1 20 . 1 1 108 108 GLU H H 108 7.627 7.627 8.118 -0.491 25225 7318 1 20 . 1 1 109 109 PRO HA H 109 4.557 4.557 4.415 0.142 25225 7319 1 20 . 1 1 109 109 PRO CA C 109 59.633 59.633 64.378 -4.745 25225 7320 1 20 . 1 1 109 109 PRO CB C 109 28.572 28.572 32.027 -3.455 25225 7321 1 20 . 1 1 110 110 MET N N 110 122.942 122.942 116.619 6.323 25225 7322 1 20 . 1 1 110 110 MET HA H 110 4.827 4.827 4.560 0.267 25225 7323 1 20 . 1 1 110 110 MET CA C 110 51.502 51.502 55.818 -4.316 25225 7324 1 20 . 1 1 110 110 MET CB C 110 34.636 34.636 33.214 1.422 25225 7325 1 20 . 1 1 110 110 MET H H 110 9.017 9.017 7.902 1.115 25225 7326 1 20 . 1 1 111 111 THR N N 111 110.441 110.441 112.584 -2.143 25225 7327 1 20 . 1 1 111 111 THR HA H 111 4.534 4.534 4.346 0.188 25225 7328 1 20 . 1 1 111 111 THR CA C 111 59.025 59.025 61.322 -2.297 25225 7329 1 20 . 1 1 111 111 THR H H 111 8.282 8.282 7.371 0.911 25225 7330 1 20 . 1 1 112 112 SER N N 112 115.495 115.495 116.509 -1.014 25225 7331 1 20 . 1 1 112 112 SER HA H 112 3.890 3.890 4.401 -0.511 25225 7332 1 20 . 1 1 112 112 SER CA C 112 57.930 57.930 58.567 -0.637 25225 7333 1 20 . 1 1 112 112 SER CB C 112 59.493 59.493 63.190 -3.697 25225 7334 1 20 . 1 1 112 112 SER H H 112 8.739 8.739 8.515 0.224 25225 7335 1 20 . 1 1 113 113 ALA N N 113 119.080 119.080 124.394 -5.314 25225 7336 1 20 . 1 1 113 113 ALA HA H 113 4.015 4.015 4.242 -0.227 25225 7337 1 20 . 1 1 113 113 ALA H H 113 8.374 8.374 7.698 0.676 25225 7338 1 20 . 1 1 114 114 SER N N 114 110.843 110.843 115.800 -4.957 25225 7339 1 20 . 1 1 114 114 SER HA H 114 4.515 4.515 4.253 0.262 25225 7340 1 20 . 1 1 114 114 SER CA C 114 55.891 55.891 58.598 -2.707 25225 7341 1 20 . 1 1 114 114 SER CB C 114 61.376 61.376 62.496 -1.120 25225 7342 1 20 . 1 1 114 114 SER H H 114 7.561 7.561 8.353 -0.792 25225 7343 1 20 . 1 1 115 115 CYS N N 115 124.537 124.537 126.748 -2.211 25225 7344 1 20 . 1 1 115 115 CYS HA H 115 5.081 5.081 4.275 0.806 25225 7345 1 20 . 1 1 115 115 CYS CA C 115 53.227 53.227 59.575 -6.348 25225 7346 1 20 . 1 1 115 115 CYS CB C 115 41.064 41.064 24.934 16.130 25225 7347 1 20 . 1 1 115 115 CYS H H 115 7.576 7.576 8.667 -1.091 25225 7348 1 20 . 1 1 116 116 ARG N N 116 121.872 121.872 128.058 -6.186 25225 7349 1 20 . 1 1 116 116 ARG HA H 116 4.495 4.495 4.538 -0.043 25225 7350 1 20 . 1 1 116 116 ARG CA C 116 51.903 51.903 55.747 -3.844 25225 7351 1 20 . 1 1 116 116 ARG CB C 116 28.608 28.608 32.954 -4.346 25225 7352 1 20 . 1 1 116 116 ARG H H 116 7.869 7.869 7.833 0.036 25225 7353 1 20 . 1 1 117 117 THR N N 117 119.541 119.541 117.012 2.529 25225 7354 1 20 . 1 1 117 117 THR HA H 117 4.311 4.311 4.627 -0.316 25225 7355 1 20 . 1 1 117 117 THR CA C 117 61.472 61.472 61.666 -0.194 25225 7356 1 20 . 1 1 117 117 THR CB C 117 65.543 65.543 71.831 -6.288 25225 7357 1 20 . 1 1 117 117 THR H H 117 8.309 8.309 8.268 0.041 25225 7358 1 20 . 1 1 118 118 ILE N N 118 129.953 129.953 126.239 3.714 25225 7359 1 20 . 1 1 118 118 ILE HA H 118 3.924 3.924 3.765 0.159 25225 7360 1 20 . 1 1 118 118 ILE CA C 118 60.351 60.351 62.236 -1.885 25225 7361 1 20 . 1 1 118 118 ILE CB C 118 34.735 34.735 37.439 -2.704 25225 7362 1 20 . 1 1 118 118 ILE H H 118 8.949 8.949 8.579 0.370 25225 7363 1 20 . 1 1 119 119 THR N N 119 126.753 126.753 123.042 3.711 25225 7364 1 20 . 1 1 119 119 THR HA H 119 4.475 4.475 4.636 -0.161 25225 7365 1 20 . 1 1 119 119 THR CA C 119 58.200 58.200 60.701 -2.501 25225 7366 1 20 . 1 1 119 119 THR CB C 119 67.794 67.794 72.010 -4.216 25225 7367 1 20 . 1 1 119 119 THR H H 119 8.711 8.711 8.471 0.240 25225 7368 1 20 . 1 1 120 120 ARG N N 120 126.298 126.298 124.109 2.189 25225 7369 1 20 . 1 1 120 120 ARG HA H 120 4.293 4.293 4.501 -0.208 25225 7370 1 20 . 1 1 120 120 ARG CA C 120 53.380 53.380 55.851 -2.471 25225 7371 1 20 . 1 1 120 120 ARG CB C 120 26.640 26.640 30.266 -3.626 25225 7372 1 20 . 1 1 120 120 ARG H H 120 8.549 8.549 8.481 0.068 25225 7373 1 20 . 1 1 121 121 CYS N N 121 125.959 125.959 125.141 0.818 25225 7374 1 20 . 1 1 121 121 CYS HA H 121 4.774 4.774 4.399 0.375 25225 7375 1 20 . 1 1 121 121 CYS CA C 121 48.887 48.887 58.822 -9.935 25225 7376 1 20 . 1 1 121 121 CYS CB C 121 33.669 33.669 28.202 5.467 25225 7377 1 20 . 1 1 121 121 CYS H H 121 8.747 8.747 8.735 0.012 25225 7378 1 20 . 1 1 122 122 LYS N N 122 119.892 119.892 122.737 -2.845 25225 7379 1 20 . 1 1 122 122 LYS HA H 122 4.489 4.489 4.603 -0.114 25225 7380 1 20 . 1 1 122 122 LYS CA C 122 52.781 52.781 54.742 -1.961 25225 7381 1 20 . 1 1 122 122 LYS CB C 122 27.458 27.458 31.677 -4.219 25225 7382 1 20 . 1 1 122 122 LYS H H 122 8.576 8.576 8.408 0.168 25225 7383 1 20 . 1 1 123 123 PRO HA H 123 4.249 4.249 4.352 -0.103 25225 7384 1 20 . 1 1 123 123 PRO CA C 123 63.009 63.009 64.936 -1.927 25225 7385 1 20 . 1 1 123 123 PRO CB C 123 28.688 28.688 32.014 -3.326 25225 7386 1 20 . 1 1 124 124 GLU N N 124 112.877 112.877 118.370 -5.493 25225 7387 1 20 . 1 1 124 124 GLU HA H 124 4.222 4.222 4.245 -0.023 25225 7388 1 20 . 1 1 124 124 GLU CA C 124 54.020 54.020 56.939 -2.919 25225 7389 1 20 . 1 1 124 124 GLU CB C 124 25.773 25.773 29.456 -3.683 25225 7390 1 20 . 1 1 124 124 GLU H H 124 8.892 8.892 8.305 0.587 25225 7391 1 20 . 1 1 125 125 ASP N N 125 120.983 120.983 118.170 2.813 25225 7392 1 20 . 1 1 125 125 ASP HA H 125 4.514 4.514 4.717 -0.203 25225 7393 1 20 . 1 1 125 125 ASP CA C 125 53.162 53.162 54.697 -1.535 25225 7394 1 20 . 1 1 125 125 ASP CB C 125 37.075 37.075 41.945 -4.870 25225 7395 1 20 . 1 1 125 125 ASP H H 125 7.675 7.675 7.377 0.298 25225 7396 1 20 . 1 1 126 126 THR N N 126 110.714 110.714 108.351 2.363 25225 7397 1 20 . 1 1 126 126 THR HA H 126 4.445 4.445 4.498 -0.053 25225 7398 1 20 . 1 1 126 126 THR CA C 126 57.795 57.795 62.211 -4.416 25225 7399 1 20 . 1 1 126 126 THR CB C 126 68.080 68.080 71.381 -3.301 25225 7400 1 20 . 1 1 126 126 THR H H 126 8.139 8.139 8.681 -0.542 25225 7401 1 20 . 1 1 127 127 ALA N N 127 123.060 123.060 123.534 -0.474 25225 7402 1 20 . 1 1 127 127 ALA HA H 127 4.969 4.969 4.523 0.446 25225 7403 1 20 . 1 1 127 127 ALA CA C 127 47.826 47.826 49.643 -1.817 25225 7404 1 20 . 1 1 127 127 ALA CB C 127 21.011 21.011 20.510 0.501 25225 7405 1 20 . 1 1 127 127 ALA H H 127 8.408 8.408 7.657 0.751 25225 7406 1 20 . 1 1 128 128 CYS N N 128 115.816 115.816 117.235 -1.419 25225 7407 1 20 . 1 1 128 128 CYS HA H 128 5.405 5.405 4.657 0.748 25225 7408 1 20 . 1 1 128 128 CYS CA C 128 49.138 49.138 58.620 -9.482 25225 7409 1 20 . 1 1 128 128 CYS CB C 128 33.728 33.728 30.808 2.921 25225 7410 1 20 . 1 1 128 128 CYS H H 128 8.764 8.764 8.514 0.250 25225 7411 1 20 . 1 1 129 129 MET N N 129 126.078 126.078 120.005 6.073 25225 7412 1 20 . 1 1 129 129 MET HA H 129 5.485 5.485 4.898 0.587 25225 7413 1 20 . 1 1 129 129 MET CA C 129 51.630 51.630 54.806 -3.176 25225 7414 1 20 . 1 1 129 129 MET CB C 129 35.308 35.308 37.172 -1.864 25225 7415 1 20 . 1 1 129 129 MET H H 129 9.366 9.366 8.907 0.459 25225 7416 1 20 . 1 1 130 130 THR N N 130 123.706 123.706 121.259 2.447 25225 7417 1 20 . 1 1 130 130 THR HA H 130 5.177 5.177 4.774 0.403 25225 7418 1 20 . 1 1 130 130 THR CA C 130 59.260 59.260 61.602 -2.342 25225 7419 1 20 . 1 1 130 130 THR CB C 130 68.549 68.549 71.933 -3.384 25225 7420 1 20 . 1 1 130 130 THR H H 130 8.903 8.903 8.570 0.333 25225 7421 1 20 . 1 1 131 131 THR N N 131 123.644 123.644 123.293 0.351 25225 7422 1 20 . 1 1 131 131 THR HA H 131 5.110 5.110 4.894 0.216 25225 7423 1 20 . 1 1 131 131 THR CA C 131 58.370 58.370 62.687 -4.316 25225 7424 1 20 . 1 1 131 131 THR CB C 131 66.519 66.519 69.463 -2.944 25225 7425 1 20 . 1 1 131 131 THR H H 131 9.284 9.284 8.509 0.775 25225 7426 1 20 . 1 1 132 132 LEU N N 132 128.424 128.424 129.203 -0.779 25225 7427 1 20 . 1 1 132 132 LEU HA H 132 4.749 4.749 4.981 -0.232 25225 7428 1 20 . 1 1 132 132 LEU CA C 132 51.916 51.916 53.912 -1.996 25225 7429 1 20 . 1 1 132 132 LEU CB C 132 40.734 40.734 45.634 -4.900 25225 7430 1 20 . 1 1 132 132 LEU H H 132 9.132 9.132 8.793 0.339 25225 7431 1 20 . 1 1 133 133 VAL N N 133 126.950 126.950 121.658 5.292 25225 7432 1 20 . 1 1 133 133 VAL HA H 133 4.073 4.073 4.367 -0.294 25225 7433 1 20 . 1 1 133 133 VAL CA C 133 60.262 60.262 61.614 -1.352 25225 7434 1 20 . 1 1 133 133 VAL CB C 133 29.588 29.588 33.273 -3.685 25225 7435 1 20 . 1 1 133 133 VAL H H 133 8.781 8.781 8.438 0.343 25225 7436 1 20 . 1 1 134 134 THR N N 134 115.286 115.286 122.267 -6.981 25225 7437 1 20 . 1 1 134 134 THR HA H 134 4.473 4.473 4.372 0.101 25225 7438 1 20 . 1 1 134 134 THR CA C 134 58.340 58.340 62.860 -4.520 25225 7439 1 20 . 1 1 134 134 THR CB C 134 66.590 66.590 69.328 -2.738 25225 7440 1 20 . 1 1 134 134 THR H H 134 7.870 7.870 8.496 -0.626 25225 7441 1 20 . 1 1 135 135 VAL N N 135 121.196 121.196 120.681 0.515 25225 7442 1 20 . 1 1 135 135 VAL HA H 135 4.291 4.291 4.125 0.166 25225 7443 1 20 . 1 1 135 135 VAL CA C 135 58.549 58.549 62.514 -3.965 25225 7444 1 20 . 1 1 135 135 VAL CB C 135 30.204 30.204 31.964 -1.760 25225 7445 1 20 . 1 1 135 135 VAL H H 135 8.142 8.142 8.335 -0.193 25225 7446 1 20 . 1 1 136 136 GLU N N 136 123.911 123.911 119.996 3.915 25225 7447 1 20 . 1 1 136 136 GLU HA H 136 4.322 4.322 4.269 0.053 25225 7448 1 20 . 1 1 136 136 GLU CA C 136 53.456 53.456 56.077 -2.621 25225 7449 1 20 . 1 1 136 136 GLU CB C 136 32.388 32.388 28.735 3.653 25225 7450 1 20 . 1 1 136 136 GLU H H 136 8.424 8.424 8.049 0.375 25225 7451 1 20 . 1 1 137 137 ALA N N 137 124.105 124.105 122.629 1.476 25225 7452 1 20 . 1 1 137 137 ALA HA H 137 4.288 4.288 4.527 -0.239 25225 7453 1 20 . 1 1 137 137 ALA CA C 137 49.707 49.707 51.278 -1.571 25225 7454 1 20 . 1 1 137 137 ALA CB C 137 16.293 16.293 18.077 -1.784 25225 7455 1 20 . 1 1 137 137 ALA H H 137 8.292 8.292 7.745 0.547 25225 7456 1 20 . 1 1 138 138 GLU N N 138 117.459 117.459 121.274 -3.815 25225 7457 1 20 . 1 1 138 138 GLU HA H 138 4.262 4.262 4.104 0.158 25225 7458 1 20 . 1 1 138 138 GLU CA C 138 53.603 53.603 57.594 -3.991 25225 7459 1 20 . 1 1 138 138 GLU CB C 138 26.856 26.856 29.611 -2.755 25225 7460 1 20 . 1 1 138 138 GLU H H 138 8.137 8.137 8.542 -0.405 25225 7461 1 20 . 1 1 139 139 TYR N N 139 119.908 119.908 119.020 0.888 25225 7462 1 20 . 1 1 139 139 TYR HA H 139 4.796 4.796 4.767 0.029 25225 7463 1 20 . 1 1 139 139 TYR CA C 139 52.684 52.684 54.330 -1.646 25225 7464 1 20 . 1 1 139 139 TYR CB C 139 35.389 35.389 38.387 -2.998 25225 7465 1 20 . 1 1 139 139 TYR H H 139 7.916 7.916 7.525 0.391 25225 7466 1 20 . 1 1 140 140 PRO HA H 140 4.340 4.340 4.524 -0.184 25225 7467 1 20 . 1 1 140 140 PRO CA C 140 60.669 60.669 63.798 -3.129 25225 7468 1 20 . 1 1 140 140 PRO CB C 140 28.512 28.512 30.600 -2.088 25225 7469 1 20 . 1 1 141 141 PHE N N 141 117.257 117.257 124.771 -7.514 25225 7470 1 20 . 1 1 141 141 PHE HA H 141 4.603 4.603 4.498 0.105 25225 7471 1 20 . 1 1 141 141 PHE CA C 141 54.567 54.567 58.846 -4.279 25225 7472 1 20 . 1 1 141 141 PHE CB C 141 35.676 35.676 40.105 -4.429 25225 7473 1 20 . 1 1 141 141 PHE H H 141 7.755 7.755 8.866 -1.111 25225 7474 1 20 . 1 1 142 142 ASN N N 142 118.560 118.560 116.297 2.263 25225 7475 1 20 . 1 1 142 142 ASN HA H 142 4.655 4.655 4.972 -0.317 25225 7476 1 20 . 1 1 142 142 ASN CA C 142 50.310 50.310 52.535 -2.225 25225 7477 1 20 . 1 1 142 142 ASN CB C 142 35.355 35.355 38.974 -3.619 25225 7478 1 20 . 1 1 142 142 ASN H H 142 8.101 8.101 8.300 -0.199 25225 7479 1 20 . 1 1 143 143 GLN N N 143 119.234 119.234 118.112 1.122 25225 7480 1 20 . 1 1 143 143 GLN HA H 143 4.379 4.379 4.447 -0.068 25225 7481 1 20 . 1 1 143 143 GLN CA C 143 52.922 52.922 56.967 -4.045 25225 7482 1 20 . 1 1 143 143 GLN CB C 143 26.499 26.499 29.675 -3.176 25225 7483 1 20 . 1 1 143 143 GLN H H 143 8.222 8.222 8.714 -0.492 25225 7484 1 20 . 1 1 144 144 SER N N 144 117.221 117.221 113.701 3.520 25225 7485 1 20 . 1 1 144 144 SER HA H 144 4.830 4.830 4.791 0.039 25225 7486 1 20 . 1 1 144 144 SER CA C 144 53.218 53.218 56.690 -3.472 25225 7487 1 20 . 1 1 144 144 SER CB C 144 60.633 60.633 65.017 -4.384 25225 7488 1 20 . 1 1 144 144 SER H H 144 8.248 8.248 7.895 0.353 25225 7489 1 20 . 1 1 145 145 PRO HA H 145 4.574 4.574 4.501 0.073 25225 7490 1 20 . 1 1 145 145 PRO CA C 145 60.040 60.040 62.975 -2.935 25225 7491 1 20 . 1 1 145 145 PRO CB C 145 29.313 29.313 29.854 -0.541 25225 7492 1 20 . 1 1 146 146 VAL N N 146 120.628 120.628 119.030 1.598 25225 7493 1 20 . 1 1 146 146 VAL HA H 146 4.304 4.304 4.495 -0.191 25225 7494 1 20 . 1 1 146 146 VAL CA C 146 58.340 58.340 60.194 -1.854 25225 7495 1 20 . 1 1 146 146 VAL CB C 146 30.060 30.060 34.651 -4.591 25225 7496 1 20 . 1 1 146 146 VAL H H 146 8.330 8.330 7.952 0.378 25225 7497 1 20 . 1 1 147 147 VAL N N 147 116.972 116.972 115.883 1.089 25225 7498 1 20 . 1 1 147 147 VAL HA H 147 5.704 5.704 4.827 0.877 25225 7499 1 20 . 1 1 147 147 VAL H H 147 9.040 9.040 8.274 0.766 25225 7500 1 20 . 1 1 148 148 THR N N 148 107.103 107.103 111.085 -3.982 25225 7501 1 20 . 1 1 148 148 THR HA H 148 4.906 4.906 4.645 0.261 25225 7502 1 20 . 1 1 148 148 THR CA C 148 58.020 58.020 61.560 -3.540 25225 7503 1 20 . 1 1 148 148 THR CB C 148 67.765 67.765 70.368 -2.603 25225 7504 1 20 . 1 1 148 148 THR H H 148 8.442 8.442 8.078 0.364 25225 7505 1 20 . 1 1 149 149 ARG N N 149 120.370 120.370 127.812 -7.442 25225 7506 1 20 . 1 1 149 149 ARG HA H 149 5.631 5.631 4.866 0.765 25225 7507 1 20 . 1 1 149 149 ARG CA C 149 51.979 51.979 55.597 -3.618 25225 7508 1 20 . 1 1 149 149 ARG CB C 149 33.261 33.261 32.058 1.203 25225 7509 1 20 . 1 1 149 149 ARG H H 149 7.623 7.623 8.661 -1.038 25225 7510 1 20 . 1 1 150 150 SER N N 150 113.789 113.789 119.462 -5.673 25225 7511 1 20 . 1 1 150 150 SER HA H 150 4.790 4.790 4.806 -0.016 25225 7512 1 20 . 1 1 150 150 SER CA C 150 54.647 54.647 57.536 -2.889 25225 7513 1 20 . 1 1 150 150 SER CB C 150 63.412 63.412 67.087 -3.675 25225 7514 1 20 . 1 1 150 150 SER H H 150 8.709 8.709 8.579 0.130 25225 7515 1 20 . 1 1 151 151 CYS N N 151 120.824 120.824 120.358 0.466 25225 7516 1 20 . 1 1 151 151 CYS HA H 151 5.141 5.141 4.362 0.779 25225 7517 1 20 . 1 1 151 151 CYS CA C 151 55.095 55.095 59.186 -4.091 25225 7518 1 20 . 1 1 151 151 CYS CB C 151 42.021 42.021 27.703 14.318 25225 7519 1 20 . 1 1 151 151 CYS H H 151 8.473 8.473 8.622 -0.149 25225 7520 1 20 . 1 1 152 152 SER N N 152 115.253 115.253 115.607 -0.354 25225 7521 1 20 . 1 1 152 152 SER HA H 152 4.834 4.834 4.745 0.089 25225 7522 1 20 . 1 1 152 152 SER CA C 152 54.771 54.771 56.618 -1.847 25225 7523 1 20 . 1 1 152 152 SER CB C 152 62.761 62.761 64.205 -1.444 25225 7524 1 20 . 1 1 152 152 SER H H 152 9.052 9.052 8.843 0.209 25225 7525 1 20 . 1 1 153 153 SER N N 153 120.787 120.787 115.466 5.321 25225 7526 1 20 . 1 1 153 153 SER HA H 153 4.930 4.930 4.947 -0.017 25225 7527 1 20 . 1 1 153 153 SER CA C 153 55.479 55.479 57.898 -2.419 25225 7528 1 20 . 1 1 153 153 SER CB C 153 61.137 61.137 63.610 -2.473 25225 7529 1 20 . 1 1 153 153 SER H H 153 8.783 8.783 8.774 0.009 25225 7530 1 20 . 1 1 154 154 SER N N 154 117.808 117.808 116.054 1.754 25225 7531 1 20 . 1 1 154 154 SER HA H 154 4.555 4.555 4.683 -0.128 25225 7532 1 20 . 1 1 154 154 SER CA C 154 54.084 54.084 58.586 -4.502 25225 7533 1 20 . 1 1 154 154 SER CB C 154 60.141 60.141 64.012 -3.871 25225 7534 1 20 . 1 1 154 154 SER H H 154 8.300 8.300 7.618 0.682 25225 7535 1 20 . 1 1 155 155 CYS N N 155 125.978 125.978 126.647 -0.669 25225 7536 1 20 . 1 1 155 155 CYS HA H 155 4.372 4.372 4.431 -0.059 25225 7537 1 20 . 1 1 155 155 CYS CA C 155 55.638 55.638 59.595 -3.957 25225 7538 1 20 . 1 1 155 155 CYS CB C 155 37.300 37.300 25.394 11.906 25225 7539 1 20 . 1 1 155 155 CYS H H 155 8.668 8.668 8.787 -0.119 25225 7540 1 20 . 1 1 156 156 VAL N N 156 129.527 129.527 124.977 4.550 25225 7541 1 20 . 1 1 156 156 VAL HA H 156 4.165 4.165 4.321 -0.156 25225 7542 1 20 . 1 1 156 156 VAL CA C 156 58.943 58.943 60.390 -1.447 25225 7543 1 20 . 1 1 156 156 VAL CB C 156 30.381 30.381 34.638 -4.257 25225 7544 1 20 . 1 1 156 156 VAL H H 156 8.239 8.239 8.089 0.150 25225 7545 1 20 . 1 1 157 157 ALA N N 157 130.280 130.280 126.309 3.971 25225 7546 1 20 . 1 1 157 157 ALA HA H 157 4.142 4.142 4.573 -0.431 25225 7547 1 20 . 1 1 157 157 ALA CA C 157 49.047 49.047 51.782 -2.735 25225 7548 1 20 . 1 1 157 157 ALA CB C 157 16.567 16.567 19.617 -3.050 25225 7549 1 20 . 1 1 157 157 ALA H H 157 8.414 8.414 8.298 0.116 25225 7550 1 20 . 1 1 158 158 THR N N 158 115.127 115.127 116.303 -1.176 25225 7551 1 20 . 1 1 158 158 THR HA H 158 4.214 4.214 4.338 -0.123 25225 7552 1 20 . 1 1 158 158 THR CA C 158 59.207 59.207 61.990 -2.783 25225 7553 1 20 . 1 1 158 158 THR CB C 158 66.814 66.814 68.709 -1.895 25225 7554 1 20 . 1 1 158 158 THR H H 158 8.219 8.219 8.394 -0.175 25225 7555 1 20 . 1 1 159 159 ASP N N 159 125.274 125.274 126.860 -1.586 25225 7556 1 20 . 1 1 159 159 ASP HA H 159 4.858 4.858 4.927 -0.069 25225 7557 1 20 . 1 1 159 159 ASP CA C 159 49.315 49.315 51.832 -2.517 25225 7558 1 20 . 1 1 159 159 ASP CB C 159 38.260 38.260 42.748 -4.488 25225 7559 1 20 . 1 1 159 159 ASP H H 159 8.548 8.548 8.079 0.469 25225 7560 1 20 . 1 1 160 160 PRO HA H 160 4.380 4.380 4.442 -0.062 25225 7561 1 20 . 1 1 160 160 PRO CA C 160 61.319 61.319 63.516 -2.197 25225 7562 1 20 . 1 1 160 160 PRO CB C 160 29.002 29.002 32.268 -3.266 25225 7563 1 20 . 1 1 161 161 ASP N N 161 116.981 116.981 118.234 -1.253 25225 7564 1 20 . 1 1 161 161 ASP HA H 161 4.709 4.709 4.623 0.086 25225 7565 1 20 . 1 1 161 161 ASP CA C 161 51.383 51.383 54.369 -2.986 25225 7566 1 20 . 1 1 161 161 ASP CB C 161 37.609 37.609 40.850 -3.241 25225 7567 1 20 . 1 1 161 161 ASP H H 161 8.402 8.402 8.248 0.154 25225 7568 1 20 . 1 1 162 162 SER N N 162 115.678 115.678 111.286 4.392 25225 7569 1 20 . 1 1 162 162 SER HA H 162 4.477 4.477 4.439 0.038 25225 7570 1 20 . 1 1 162 162 SER CA C 162 55.371 55.371 58.681 -3.310 25225 7571 1 20 . 1 1 162 162 SER CB C 162 60.763 60.763 62.639 -1.876 25225 7572 1 20 . 1 1 162 162 SER H H 162 7.865 7.865 7.978 -0.113 25225 7573 1 20 . 1 1 163 163 ILE N N 163 122.425 122.425 118.478 3.947 25225 7574 1 20 . 1 1 163 163 ILE HA H 163 4.190 4.190 4.049 0.141 25225 7575 1 20 . 1 1 163 163 ILE CA C 163 58.539 58.539 63.058 -4.519 25225 7576 1 20 . 1 1 163 163 ILE CB C 163 35.563 35.563 38.044 -2.481 25225 7577 1 20 . 1 1 163 163 ILE H H 163 8.098 8.098 8.032 0.066 25225 7578 1 20 . 1 1 164 164 GLY N N 164 112.830 112.830 107.109 5.721 25225 7579 1 20 . 1 1 164 164 GLY CA C 164 42.342 42.342 45.346 -3.004 25225 7580 1 20 . 1 1 164 164 GLY H H 164 8.564 8.564 7.783 0.781 25225 7581 1 20 . 1 1 165 165 ALA N N 165 123.606 123.606 121.976 1.630 25225 7582 1 20 . 1 1 165 165 ALA HA H 165 4.318 4.318 4.140 0.178 25225 7583 1 20 . 1 1 165 165 ALA CA C 165 49.188 49.188 52.380 -3.192 25225 7584 1 20 . 1 1 165 165 ALA CB C 165 16.158 16.158 17.395 -1.237 25225 7585 1 20 . 1 1 165 165 ALA H H 165 7.901 7.901 8.488 -0.587 25225 7586 1 20 . 1 1 166 166 ALA N N 166 122.736 122.736 117.973 4.763 25225 7587 1 20 . 1 1 166 166 ALA HA H 166 4.232 4.232 3.806 0.426 25225 7588 1 20 . 1 1 166 166 ALA CA C 166 49.778 49.778 52.604 -2.826 25225 7589 1 20 . 1 1 166 166 ALA CB C 166 16.171 16.171 18.134 -1.963 25225 7590 1 20 . 1 1 166 166 ALA H H 166 8.243 8.243 7.547 0.696 25225 7591 1 20 . 1 1 167 167 HIS N N 167 114.237 114.237 116.927 -2.690 25225 7592 1 20 . 1 1 167 167 HIS HA H 167 4.987 4.987 4.762 0.225 25225 7593 1 20 . 1 1 167 167 HIS CA C 167 51.148 51.148 55.022 -3.874 25225 7594 1 20 . 1 1 167 167 HIS CB C 167 27.221 27.221 29.453 -2.232 25225 7595 1 20 . 1 1 167 167 HIS H H 167 7.931 7.931 7.635 0.296 25225 7596 1 20 . 1 1 168 168 LEU N N 168 123.034 123.034 126.813 -3.779 25225 7597 1 20 . 1 1 168 168 LEU HA H 168 4.480 4.480 4.282 0.198 25225 7598 1 20 . 1 1 168 168 LEU CA C 168 52.044 52.044 54.532 -2.488 25225 7599 1 20 . 1 1 168 168 LEU CB C 168 40.719 40.719 41.144 -0.425 25225 7600 1 20 . 1 1 168 168 LEU H H 168 8.371 8.371 8.352 0.019 25225 7601 1 20 . 1 1 169 169 ILE N N 169 121.493 121.493 126.654 -5.161 25225 7602 1 20 . 1 1 169 169 ILE HA H 169 4.907 4.907 4.619 0.288 25225 7603 1 20 . 1 1 169 169 ILE CA C 169 56.856 56.856 58.946 -2.090 25225 7604 1 20 . 1 1 169 169 ILE CB C 169 37.464 37.464 36.039 1.425 25225 7605 1 20 . 1 1 169 169 ILE H H 169 8.097 8.097 8.220 -0.123 25225 7606 1 20 . 1 1 170 170 PHE N N 170 125.500 125.500 128.193 -2.693 25225 7607 1 20 . 1 1 170 170 PHE HA H 170 4.930 4.930 4.538 0.392 25225 7608 1 20 . 1 1 170 170 PHE CA C 170 52.803 52.803 57.870 -5.067 25225 7609 1 20 . 1 1 170 170 PHE CB C 170 38.773 38.773 39.231 -0.458 25225 7610 1 20 . 1 1 170 170 PHE H H 170 9.246 9.246 8.830 0.416 25225 7611 1 20 . 1 1 171 171 CYS N N 171 118.630 118.630 119.279 -0.649 25225 7612 1 20 . 1 1 171 171 CYS HA H 171 5.361 5.361 5.486 -0.125 25225 7613 1 20 . 1 1 171 171 CYS CA C 171 49.869 49.869 55.466 -5.597 25225 7614 1 20 . 1 1 171 171 CYS CB C 171 42.371 42.371 29.462 12.909 25225 7615 1 20 . 1 1 171 171 CYS H H 171 8.577 8.577 8.441 0.136 25225 7616 1 20 . 1 1 172 172 CYS N N 172 118.255 118.255 116.412 1.843 25225 7617 1 20 . 1 1 172 172 CYS HA H 172 4.459 4.459 4.783 -0.324 25225 7618 1 20 . 1 1 172 172 CYS CA C 172 51.892 51.892 57.538 -5.646 25225 7619 1 20 . 1 1 172 172 CYS CB C 172 41.131 41.131 29.386 11.745 25225 7620 1 20 . 1 1 172 172 CYS H H 172 8.679 8.679 8.515 0.164 25225 7621 1 20 . 1 1 173 173 PHE N N 173 119.428 119.428 118.875 0.553 25225 7622 1 20 . 1 1 173 173 PHE HA H 173 5.148 5.148 4.897 0.251 25225 7623 1 20 . 1 1 173 173 PHE CA C 173 55.243 55.243 57.751 -2.508 25225 7624 1 20 . 1 1 173 173 PHE CB C 173 37.440 37.440 39.965 -2.525 25225 7625 1 20 . 1 1 173 173 PHE H H 173 8.810 8.810 8.649 0.161 25225 7626 1 20 . 1 1 174 174 ARG N N 174 119.247 119.247 120.938 -1.691 25225 7627 1 20 . 1 1 174 174 ARG HA H 174 4.774 4.774 4.628 0.146 25225 7628 1 20 . 1 1 174 174 ARG CA C 174 51.136 51.136 54.770 -3.635 25225 7629 1 20 . 1 1 174 174 ARG CB C 174 31.229 31.229 33.407 -2.178 25225 7630 1 20 . 1 1 174 174 ARG H H 174 7.450 7.450 7.808 -0.358 25225 7631 1 20 . 1 1 175 175 ASP N N 175 119.844 119.844 123.473 -3.629 25225 7632 1 20 . 1 1 175 175 ASP HA H 175 4.846 4.846 4.778 0.068 25225 7633 1 20 . 1 1 175 175 ASP CA C 175 52.514 52.514 55.251 -2.737 25225 7634 1 20 . 1 1 175 175 ASP CB C 175 38.535 38.535 40.490 -1.955 25225 7635 1 20 . 1 1 175 175 ASP H H 175 8.290 8.290 8.632 -0.342 25225 7636 1 20 . 1 1 176 176 LEU N N 176 114.448 114.448 118.820 -4.372 25225 7637 1 20 . 1 1 176 176 LEU HA H 176 3.344 3.344 3.788 -0.444 25225 7638 1 20 . 1 1 176 176 LEU CA C 176 52.139 52.139 55.137 -2.998 25225 7639 1 20 . 1 1 176 176 LEU CB C 176 33.886 33.886 38.850 -4.964 25225 7640 1 20 . 1 1 176 176 LEU H H 176 9.298 9.298 8.737 0.561 25225 7641 1 20 . 1 1 177 177 CYS N N 177 112.101 112.101 115.730 -3.629 25225 7642 1 20 . 1 1 177 177 CYS HA H 177 4.547 4.547 4.233 0.314 25225 7643 1 20 . 1 1 177 177 CYS CA C 177 53.532 53.532 60.118 -6.586 25225 7644 1 20 . 1 1 177 177 CYS CB C 177 41.582 41.582 27.111 14.471 25225 7645 1 20 . 1 1 177 177 CYS H H 177 7.834 7.834 7.874 -0.040 25225 7646 1 20 . 1 1 178 178 ASN N N 178 122.157 122.157 119.387 2.770 25225 7647 1 20 . 1 1 178 178 ASN HA H 178 4.778 4.778 4.774 0.004 25225 7648 1 20 . 1 1 178 178 ASN CA C 178 49.564 49.564 52.437 -2.873 25225 7649 1 20 . 1 1 178 178 ASN CB C 178 33.138 33.138 40.190 -7.052 25225 7650 1 20 . 1 1 178 178 ASN H H 178 9.014 9.014 8.096 0.918 25225 7651 1 20 . 1 1 179 179 SER N N 179 109.444 109.444 117.538 -8.094 25225 7652 1 20 . 1 1 179 179 SER HA H 179 3.945 3.945 4.312 -0.367 25225 7653 1 20 . 1 1 179 179 SER CA C 179 55.092 55.092 58.426 -3.334 25225 7654 1 20 . 1 1 179 179 SER CB C 179 59.118 59.118 63.353 -4.235 25225 7655 1 20 . 1 1 179 179 SER H H 179 7.482 7.482 8.875 -1.393 25225 7656 1 20 . 1 1 180 180 GLU N N 180 120.035 120.035 119.617 0.418 25225 7657 1 20 . 1 1 180 180 GLU HA H 180 4.359 4.359 4.453 -0.094 25225 7658 1 20 . 1 1 180 180 GLU CA C 180 52.226 52.226 55.121 -2.895 25225 7659 1 20 . 1 1 180 180 GLU CB C 180 28.439 28.439 32.818 -4.379 25225 7660 1 20 . 1 1 180 180 GLU H H 180 7.936 7.936 7.877 0.059 25225 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 75 3.707 0.196 3.726 25225 2 1 1 "Average Difference" HA 81 0.282 -0.077 0.273 25225 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25225 4 1 1 "Average Difference" CA 78 3.762 3.288 1.840 25225 5 1 1 "Average Difference" CB 76 5.242 1.111 5.157 25225 6 1 1 "Average Difference" HN 75 0.531 -0.133 0.517 25225 7 1 2 "Average Difference" N 75 3.852 0.071 3.877 25225 8 1 2 "Average Difference" HA 81 0.303 -0.075 0.295 25225 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25225 10 1 2 "Average Difference" CA 78 3.773 3.332 1.783 25225 11 1 2 "Average Difference" CB 76 5.376 1.091 5.299 25225 12 1 2 "Average Difference" HN 75 0.516 -0.118 0.506 25225 13 1 3 "Average Difference" N 75 3.830 0.412 3.834 25225 14 1 3 "Average Difference" HA 81 0.296 -0.078 0.288 25225 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25225 16 1 3 "Average Difference" CA 78 3.784 3.343 1.785 25225 17 1 3 "Average Difference" CB 76 5.281 1.014 5.217 25225 18 1 3 "Average Difference" HN 75 0.513 -0.096 0.508 25225 19 1 4 "Average Difference" N 75 3.891 0.299 3.906 25225 20 1 4 "Average Difference" HA 81 0.303 -0.062 0.298 25225 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25225 22 1 4 "Average Difference" CA 78 3.694 3.273 1.724 25225 23 1 4 "Average Difference" CB 76 5.302 0.950 5.251 25225 24 1 4 "Average Difference" HN 75 0.504 -0.117 0.493 25225 25 1 5 "Average Difference" N 75 3.954 0.651 3.926 25225 26 1 5 "Average Difference" HA 81 0.316 -0.065 0.311 25225 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25225 28 1 5 "Average Difference" CA 78 3.831 3.393 1.790 25225 29 1 5 "Average Difference" CB 76 5.271 1.161 5.176 25225 30 1 5 "Average Difference" HN 75 0.484 -0.109 0.474 25225 31 1 6 "Average Difference" N 75 4.230 0.154 4.256 25225 32 1 6 "Average Difference" HA 81 0.292 -0.047 0.290 25225 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25225 34 1 6 "Average Difference" CA 78 3.859 3.375 1.885 25225 35 1 6 "Average Difference" CB 76 5.270 1.015 5.206 25225 36 1 6 "Average Difference" HN 75 0.500 -0.102 0.492 25225 37 1 7 "Average Difference" N 75 4.122 0.581 4.108 25225 38 1 7 "Average Difference" HA 81 0.295 -0.047 0.293 25225 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25225 40 1 7 "Average Difference" CA 78 3.742 3.291 1.793 25225 41 1 7 "Average Difference" CB 76 5.283 1.039 5.214 25225 42 1 7 "Average Difference" HN 75 0.505 -0.100 0.498 25225 43 1 8 "Average Difference" N 75 3.942 0.413 3.947 25225 44 1 8 "Average Difference" HA 81 0.331 -0.069 0.326 25225 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25225 46 1 8 "Average Difference" CA 78 3.822 3.289 1.959 25225 47 1 8 "Average Difference" CB 76 5.284 0.851 5.250 25225 48 1 8 "Average Difference" HN 75 0.478 -0.102 0.470 25225 49 1 9 "Average Difference" N 75 4.021 0.591 4.004 25225 50 1 9 "Average Difference" HA 81 0.297 -0.059 0.293 25225 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25225 52 1 9 "Average Difference" CA 78 3.810 3.393 1.745 25225 53 1 9 "Average Difference" CB 76 5.377 1.138 5.290 25225 54 1 9 "Average Difference" HN 75 0.491 -0.124 0.478 25225 55 1 10 "Average Difference" N 75 3.935 0.417 3.939 25225 56 1 10 "Average Difference" HA 81 0.333 -0.092 0.322 25225 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25225 58 1 10 "Average Difference" CA 78 3.736 3.265 1.828 25225 59 1 10 "Average Difference" CB 76 5.272 1.003 5.210 25225 60 1 10 "Average Difference" HN 75 0.523 -0.139 0.508 25225 61 1 11 "Average Difference" N 75 4.099 0.528 4.092 25225 62 1 11 "Average Difference" HA 81 0.341 -0.076 0.334 25225 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25225 64 1 11 "Average Difference" CA 78 3.801 3.346 1.814 25225 65 1 11 "Average Difference" CB 76 5.262 0.987 5.203 25225 66 1 11 "Average Difference" HN 75 0.524 -0.096 0.518 25225 67 1 12 "Average Difference" N 75 3.824 0.767 3.772 25225 68 1 12 "Average Difference" HA 81 0.281 -0.068 0.274 25225 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25225 70 1 12 "Average Difference" CA 78 3.724 3.305 1.727 25225 71 1 12 "Average Difference" CB 76 5.277 0.992 5.217 25225 72 1 12 "Average Difference" HN 75 0.529 -0.136 0.515 25225 73 1 13 "Average Difference" N 75 3.827 0.333 3.838 25225 74 1 13 "Average Difference" HA 81 0.291 -0.075 0.283 25225 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25225 76 1 13 "Average Difference" CA 78 3.949 3.536 1.769 25225 77 1 13 "Average Difference" CB 76 5.225 1.027 5.157 25225 78 1 13 "Average Difference" HN 75 0.518 -0.080 0.515 25225 79 1 14 "Average Difference" N 75 3.859 0.629 3.833 25225 80 1 14 "Average Difference" HA 81 0.300 -0.100 0.284 25225 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25225 82 1 14 "Average Difference" CA 78 3.794 3.385 1.723 25225 83 1 14 "Average Difference" CB 76 5.299 1.068 5.225 25225 84 1 14 "Average Difference" HN 75 0.511 -0.111 0.502 25225 85 1 15 "Average Difference" N 75 3.962 0.796 3.907 25225 86 1 15 "Average Difference" HA 81 0.302 -0.084 0.292 25225 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25225 88 1 15 "Average Difference" CA 78 3.832 3.404 1.770 25225 89 1 15 "Average Difference" CB 76 5.235 1.000 5.173 25225 90 1 15 "Average Difference" HN 75 0.461 -0.101 0.453 25225 91 1 16 "Average Difference" N 75 4.126 0.427 4.132 25225 92 1 16 "Average Difference" HA 81 0.322 -0.068 0.316 25225 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25225 94 1 16 "Average Difference" CA 78 3.869 3.399 1.860 25225 95 1 16 "Average Difference" CB 76 5.409 1.255 5.297 25225 96 1 16 "Average Difference" HN 75 0.512 -0.071 0.510 25225 97 1 17 "Average Difference" N 75 3.603 0.540 3.587 25225 98 1 17 "Average Difference" HA 81 0.286 -0.083 0.276 25225 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25225 100 1 17 "Average Difference" CA 78 3.677 3.271 1.689 25225 101 1 17 "Average Difference" CB 76 5.283 1.017 5.219 25225 102 1 17 "Average Difference" HN 75 0.511 -0.125 0.499 25225 103 1 18 "Average Difference" N 75 3.739 0.548 3.724 25225 104 1 18 "Average Difference" HA 81 0.287 -0.080 0.277 25225 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25225 106 1 18 "Average Difference" CA 78 3.757 3.326 1.759 25225 107 1 18 "Average Difference" CB 76 5.187 1.010 5.121 25225 108 1 18 "Average Difference" HN 75 0.480 -0.104 0.472 25225 109 1 19 "Average Difference" N 75 3.964 0.816 3.905 25225 110 1 19 "Average Difference" HA 81 0.318 -0.084 0.308 25225 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25225 112 1 19 "Average Difference" CA 78 3.876 3.422 1.832 25225 113 1 19 "Average Difference" CB 76 5.304 0.933 5.256 25225 114 1 19 "Average Difference" HN 75 0.482 -0.108 0.473 25225 115 1 20 "Average Difference" N 75 4.069 0.533 4.061 25225 116 1 20 "Average Difference" HA 81 0.305 -0.065 0.300 25225 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25225 118 1 20 "Average Difference" CA 78 3.750 3.340 1.716 25225 119 1 20 "Average Difference" CB 76 5.242 0.837 5.209 25225 120 1 20 "Average Difference" HN 75 0.512 -0.096 0.506 25225 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 25225 _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 1 101 101 LEU N N 101 121.469 121.469 118.926 2.543 25225 2 1 . 1 1 101 101 LEU HA H 101 4.402 4.402 4.384 0.018 25225 3 1 . 1 1 101 101 LEU CA C 101 49.282 49.282 52.000 -2.718 25225 4 1 . 1 1 101 101 LEU CB C 101 39.920 39.920 40.290 -0.370 25225 5 1 . 1 1 101 101 LEU H H 101 8.316 8.316 8.215 0.102 25225 6 1 . 1 1 102 102 LYS N N 102 114.956 114.956 119.766 -4.810 25225 7 1 . 1 1 102 102 LYS HA H 102 4.998 4.998 4.868 0.130 25225 8 1 . 1 1 102 102 LYS CA C 102 49.012 49.012 52.513 -3.500 25225 9 1 . 1 1 102 102 LYS CB C 102 30.418 30.418 33.677 -3.259 25225 10 1 . 1 1 102 102 LYS H H 102 7.485 7.485 7.844 -0.359 25225 11 1 . 1 1 103 103 CYS N N 103 111.823 111.823 114.793 -2.971 25225 12 1 . 1 1 103 103 CYS HA H 103 4.699 4.699 4.517 0.182 25225 13 1 . 1 1 103 103 CYS CA C 103 46.548 46.548 55.354 -8.806 25225 14 1 . 1 1 103 103 CYS CB C 103 36.966 36.966 29.735 7.231 25225 15 1 . 1 1 103 103 CYS H H 103 8.006 8.006 8.086 -0.080 25225 16 1 . 1 1 104 104 TYR N N 104 115.043 115.043 116.305 -1.262 25225 17 1 . 1 1 104 104 TYR HA H 104 4.879 4.879 4.474 0.405 25225 18 1 . 1 1 104 104 TYR CA C 104 52.765 52.765 55.472 -2.707 25225 19 1 . 1 1 104 104 TYR CB C 104 33.044 33.044 35.119 -2.075 25225 20 1 . 1 1 104 104 TYR H H 104 8.020 8.020 8.619 -0.599 25225 21 1 . 1 1 105 105 THR N N 105 105.102 105.102 109.321 -4.218 25225 22 1 . 1 1 105 105 THR HA H 105 4.393 4.393 4.537 -0.145 25225 23 1 . 1 1 105 105 THR CA C 105 54.506 54.506 57.305 -2.799 25225 24 1 . 1 1 105 105 THR CB C 105 66.578 66.578 67.255 -0.677 25225 25 1 . 1 1 105 105 THR H H 105 8.846 8.846 7.859 0.987 25225 26 1 . 1 1 106 106 CYS N N 106 103.677 103.677 118.074 -14.397 25225 27 1 . 1 1 106 106 CYS HA H 106 4.600 4.600 4.475 0.124 25225 28 1 . 1 1 106 106 CYS CA C 106 51.522 51.522 54.146 -2.623 25225 29 1 . 1 1 106 106 CYS CB C 106 40.943 40.943 27.889 13.054 25225 30 1 . 1 1 106 106 CYS H H 106 7.847 7.847 8.000 -0.153 25225 31 1 . 1 1 107 107 LYS N N 107 114.780 114.780 114.833 -0.053 25225 32 1 . 1 1 107 107 LYS HA H 107 4.150 4.150 4.069 0.081 25225 33 1 . 1 1 107 107 LYS CA C 107 51.499 51.499 54.777 -3.278 25225 34 1 . 1 1 107 107 LYS CB C 107 29.039 29.039 31.032 -1.994 25225 35 1 . 1 1 107 107 LYS H H 107 8.193 8.193 8.220 -0.027 25225 36 1 . 1 1 108 108 GLU N N 108 112.606 112.606 112.927 -0.321 25225 37 1 . 1 1 108 108 GLU HA H 108 4.492 4.492 4.460 0.032 25225 38 1 . 1 1 108 108 GLU CA C 108 47.226 47.226 51.045 -3.818 25225 39 1 . 1 1 108 108 GLU CB C 108 25.652 25.652 29.482 -3.830 25225 40 1 . 1 1 108 108 GLU H H 108 7.246 7.246 7.617 -0.372 25225 41 1 . 1 1 109 109 PRO HA H 109 4.329 4.329 4.209 0.120 25225 42 1 . 1 1 109 109 PRO CA C 109 56.651 56.651 60.042 -3.391 25225 43 1 . 1 1 109 109 PRO CB C 109 27.143 27.143 30.102 -2.958 25225 44 1 . 1 1 110 110 MET N N 110 116.795 116.795 114.692 2.102 25225 45 1 . 1 1 110 110 MET HA H 110 4.586 4.586 4.397 0.189 25225 46 1 . 1 1 110 110 MET CA C 110 48.927 48.927 52.686 -3.759 25225 47 1 . 1 1 110 110 MET CB C 110 32.904 32.904 32.510 0.394 25225 48 1 . 1 1 110 110 MET H H 110 8.566 8.566 7.688 0.879 25225 49 1 . 1 1 111 111 THR N N 111 104.919 104.919 108.862 -3.943 25225 50 1 . 1 1 111 111 THR HA H 111 4.307 4.307 4.039 0.268 25225 51 1 . 1 1 111 111 THR CA C 111 56.074 56.074 60.179 -4.105 25225 52 1 . 1 1 111 111 THR H H 111 7.868 7.868 7.834 0.034 25225 53 1 . 1 1 112 112 SER N N 112 109.720 109.720 111.936 -2.216 25225 54 1 . 1 1 112 112 SER HA H 112 3.696 3.696 4.175 -0.479 25225 55 1 . 1 1 112 112 SER CA C 112 55.033 55.033 55.568 -0.535 25225 56 1 . 1 1 112 112 SER CB C 112 56.518 56.518 60.629 -4.111 25225 57 1 . 1 1 112 112 SER H H 112 8.302 8.302 7.635 0.667 25225 58 1 . 1 1 113 113 ALA N N 113 113.126 113.126 119.167 -6.041 25225 59 1 . 1 1 113 113 ALA HA H 113 3.814 3.814 4.091 -0.277 25225 60 1 . 1 1 113 113 ALA H H 113 7.955 7.955 7.757 0.198 25225 61 1 . 1 1 114 114 SER N N 114 105.301 105.301 107.654 -2.353 25225 62 1 . 1 1 114 114 SER HA H 114 4.289 4.289 4.113 0.177 25225 63 1 . 1 1 114 114 SER CA C 114 53.096 53.096 55.343 -2.247 25225 64 1 . 1 1 114 114 SER CB C 114 58.307 58.307 60.077 -1.770 25225 65 1 . 1 1 114 114 SER H H 114 7.183 7.183 7.693 -0.510 25225 66 1 . 1 1 115 115 CYS N N 115 118.310 118.310 118.032 0.278 25225 67 1 . 1 1 115 115 CYS HA H 115 4.827 4.827 4.172 0.655 25225 68 1 . 1 1 115 115 CYS CA C 115 50.566 50.566 56.164 -5.598 25225 69 1 . 1 1 115 115 CYS CB C 115 39.011 39.011 23.828 15.183 25225 70 1 . 1 1 115 115 CYS H H 115 7.197 7.197 8.255 -1.057 25225 71 1 . 1 1 116 116 ARG N N 116 115.778 115.778 118.590 -2.812 25225 72 1 . 1 1 116 116 ARG HA H 116 4.270 4.270 4.404 -0.134 25225 73 1 . 1 1 116 116 ARG CA C 116 49.308 49.308 52.655 -3.347 25225 74 1 . 1 1 116 116 ARG CB C 116 27.178 27.178 30.390 -3.213 25225 75 1 . 1 1 116 116 ARG H H 116 7.476 7.476 7.485 -0.009 25225 76 1 . 1 1 117 117 THR N N 117 113.564 113.564 110.909 2.655 25225 77 1 . 1 1 117 117 THR HA H 117 4.095 4.095 4.402 -0.307 25225 78 1 . 1 1 117 117 THR CA C 117 58.398 58.398 57.940 0.458 25225 79 1 . 1 1 117 117 THR CB C 117 62.266 62.266 68.076 -5.810 25225 80 1 . 1 1 117 117 THR H H 117 7.894 7.894 7.877 0.017 25225 81 1 . 1 1 118 118 ILE N N 118 123.455 123.455 119.450 4.006 25225 82 1 . 1 1 118 118 ILE HA H 118 3.728 3.728 3.547 0.181 25225 83 1 . 1 1 118 118 ILE CA C 118 57.333 57.333 58.942 -1.609 25225 84 1 . 1 1 118 118 ILE CB C 118 32.998 32.998 35.383 -2.385 25225 85 1 . 1 1 118 118 ILE H H 118 8.502 8.502 8.182 0.320 25225 86 1 . 1 1 119 119 THR N N 119 120.415 120.415 117.157 3.258 25225 87 1 . 1 1 119 119 THR HA H 119 4.251 4.251 4.392 -0.141 25225 88 1 . 1 1 119 119 THR CA C 119 55.290 55.290 57.617 -2.327 25225 89 1 . 1 1 119 119 THR CB C 119 64.404 64.404 68.261 -3.857 25225 90 1 . 1 1 119 119 THR H H 119 8.275 8.275 7.909 0.366 25225 91 1 . 1 1 120 120 ARG N N 120 119.983 119.983 118.270 1.714 25225 92 1 . 1 1 120 120 ARG HA H 120 4.078 4.078 4.277 -0.199 25225 93 1 . 1 1 120 120 ARG CA C 120 50.711 50.711 52.989 -2.278 25225 94 1 . 1 1 120 120 ARG CB C 120 25.308 25.308 28.567 -3.259 25225 95 1 . 1 1 120 120 ARG H H 120 8.122 8.122 8.034 0.087 25225 96 1 . 1 1 121 121 CYS N N 121 119.661 119.661 118.554 1.107 25225 97 1 . 1 1 121 121 CYS HA H 121 4.535 4.535 4.151 0.384 25225 98 1 . 1 1 121 121 CYS CA C 121 46.443 46.443 55.909 -9.466 25225 99 1 . 1 1 121 121 CYS CB C 121 31.986 31.986 26.772 5.213 25225 100 1 . 1 1 121 121 CYS H H 121 8.310 8.310 8.305 0.005 25225 101 1 . 1 1 122 122 LYS N N 122 113.897 113.897 116.205 -2.308 25225 102 1 . 1 1 122 122 LYS HA H 122 4.265 4.265 4.359 -0.094 25225 103 1 . 1 1 122 122 LYS CA C 122 50.142 50.142 51.721 -1.579 25225 104 1 . 1 1 122 122 LYS CB C 122 26.085 26.085 30.051 -3.966 25225 105 1 . 1 1 122 122 LYS H H 122 8.147 8.147 7.983 0.164 25225 106 1 . 1 1 123 123 PRO HA H 123 4.037 4.037 4.140 -0.104 25225 107 1 . 1 1 123 123 PRO CA C 123 59.859 59.859 61.594 -1.736 25225 108 1 . 1 1 123 123 PRO CB C 123 27.254 27.254 30.427 -3.173 25225 109 1 . 1 1 124 124 GLU N N 124 107.233 107.233 112.026 -4.792 25225 110 1 . 1 1 124 124 GLU HA H 124 4.011 4.011 4.033 -0.022 25225 111 1 . 1 1 124 124 GLU CA C 124 51.319 51.319 54.014 -2.695 25225 112 1 . 1 1 124 124 GLU CB C 124 24.484 24.484 27.767 -3.283 25225 113 1 . 1 1 124 124 GLU H H 124 8.447 8.447 8.008 0.439 25225 114 1 . 1 1 125 125 ASP N N 125 114.934 114.934 113.524 1.410 25225 115 1 . 1 1 125 125 ASP HA H 125 4.288 4.288 4.478 -0.190 25225 116 1 . 1 1 125 125 ASP CA C 125 50.504 50.504 51.981 -1.477 25225 117 1 . 1 1 125 125 ASP CB C 125 35.221 35.221 39.801 -4.580 25225 118 1 . 1 1 125 125 ASP H H 125 7.291 7.291 7.097 0.194 25225 119 1 . 1 1 126 126 THR N N 126 105.178 105.178 104.520 0.658 25225 120 1 . 1 1 126 126 THR HA H 126 4.223 4.223 4.272 -0.049 25225 121 1 . 1 1 126 126 THR CA C 126 54.905 54.905 59.052 -4.146 25225 122 1 . 1 1 126 126 THR CB C 126 64.676 64.676 67.588 -2.911 25225 123 1 . 1 1 126 126 THR H H 126 7.732 7.732 8.035 -0.302 25225 124 1 . 1 1 127 127 ALA N N 127 116.907 116.907 117.048 -0.141 25225 125 1 . 1 1 127 127 ALA HA H 127 4.721 4.721 4.455 0.266 25225 126 1 . 1 1 127 127 ALA CA C 127 45.435 45.435 47.401 -1.966 25225 127 1 . 1 1 127 127 ALA CB C 127 19.960 19.960 19.815 0.146 25225 128 1 . 1 1 127 127 ALA H H 127 7.988 7.988 7.373 0.615 25225 129 1 . 1 1 128 128 CYS N N 128 110.025 110.025 111.087 -1.062 25225 130 1 . 1 1 128 128 CYS HA H 128 5.135 5.135 4.457 0.678 25225 131 1 . 1 1 128 128 CYS CA C 128 46.681 46.681 55.859 -9.178 25225 132 1 . 1 1 128 128 CYS CB C 128 32.042 32.042 29.082 2.960 25225 133 1 . 1 1 128 128 CYS H H 128 8.326 8.326 8.149 0.177 25225 134 1 . 1 1 129 129 MET N N 129 119.774 119.774 113.611 6.163 25225 135 1 . 1 1 129 129 MET HA H 129 5.211 5.211 4.975 0.236 25225 136 1 . 1 1 129 129 MET CA C 129 49.049 49.049 51.879 -2.830 25225 137 1 . 1 1 129 129 MET CB C 129 33.543 33.543 35.737 -2.194 25225 138 1 . 1 1 129 129 MET H H 129 8.898 8.898 8.446 0.452 25225 139 1 . 1 1 130 130 THR N N 130 117.521 117.521 113.104 4.417 25225 140 1 . 1 1 130 130 THR HA H 130 4.918 4.918 4.621 0.297 25225 141 1 . 1 1 130 130 THR CA C 130 56.297 56.297 58.600 -2.303 25225 142 1 . 1 1 130 130 THR CB C 130 65.122 65.122 68.304 -3.183 25225 143 1 . 1 1 130 130 THR H H 130 8.458 8.458 8.214 0.244 25225 144 1 . 1 1 131 131 THR N N 131 117.462 117.462 116.021 1.441 25225 145 1 . 1 1 131 131 THR HA H 131 4.854 4.854 4.690 0.165 25225 146 1 . 1 1 131 131 THR CA C 131 55.451 55.451 59.095 -3.644 25225 147 1 . 1 1 131 131 THR CB C 131 63.193 63.193 66.050 -2.857 25225 148 1 . 1 1 131 131 THR H H 131 8.820 8.820 8.207 0.613 25225 149 1 . 1 1 132 132 LEU N N 132 122.003 122.003 121.219 0.784 25225 150 1 . 1 1 132 132 LEU HA H 132 4.512 4.512 4.659 -0.147 25225 151 1 . 1 1 132 132 LEU CA C 132 49.320 49.320 51.146 -1.826 25225 152 1 . 1 1 132 132 LEU CB C 132 38.697 38.697 43.291 -4.594 25225 153 1 . 1 1 132 132 LEU H H 132 8.675 8.675 8.165 0.510 25225 154 1 . 1 1 133 133 VAL N N 133 120.603 120.603 113.835 6.768 25225 155 1 . 1 1 133 133 VAL HA H 133 3.869 3.869 4.246 -0.377 25225 156 1 . 1 1 133 133 VAL CA C 133 57.249 57.249 58.338 -1.089 25225 157 1 . 1 1 133 133 VAL CB C 133 28.109 28.109 31.104 -2.995 25225 158 1 . 1 1 133 133 VAL H H 133 8.342 8.342 7.947 0.395 25225 159 1 . 1 1 134 134 THR N N 134 109.522 109.522 113.127 -3.605 25225 160 1 . 1 1 134 134 THR HA H 134 4.249 4.249 4.119 0.130 25225 161 1 . 1 1 134 134 THR CA C 134 55.423 55.423 59.230 -3.807 25225 162 1 . 1 1 134 134 THR CB C 134 63.261 63.261 65.874 -2.613 25225 163 1 . 1 1 134 134 THR H H 134 7.477 7.477 7.736 -0.259 25225 164 1 . 1 1 135 135 VAL N N 135 115.136 115.136 115.518 -0.381 25225 165 1 . 1 1 135 135 VAL HA H 135 4.076 4.076 3.923 0.154 25225 166 1 . 1 1 135 135 VAL CA C 135 55.622 55.622 58.992 -3.370 25225 167 1 . 1 1 135 135 VAL CB C 135 28.694 28.694 31.274 -2.580 25225 168 1 . 1 1 135 135 VAL H H 135 7.735 7.735 7.657 0.078 25225 169 1 . 1 1 136 136 GLU N N 136 117.715 117.715 115.688 2.028 25225 170 1 . 1 1 136 136 GLU HA H 136 4.106 4.106 4.047 0.059 25225 171 1 . 1 1 136 136 GLU CA C 136 50.783 50.783 53.741 -2.958 25225 172 1 . 1 1 136 136 GLU CB C 136 30.769 30.769 28.317 2.451 25225 173 1 . 1 1 136 136 GLU H H 136 8.003 8.003 7.991 0.012 25225 174 1 . 1 1 137 137 ALA N N 137 117.900 117.900 118.340 -0.440 25225 175 1 . 1 1 137 137 ALA HA H 137 4.074 4.074 4.152 -0.078 25225 176 1 . 1 1 137 137 ALA CA C 137 47.222 47.222 49.655 -2.433 25225 177 1 . 1 1 137 137 ALA CB C 137 15.478 15.478 18.554 -3.075 25225 178 1 . 1 1 137 137 ALA H H 137 7.877 7.877 7.676 0.202 25225 179 1 . 1 1 138 138 GLU N N 138 111.586 111.586 113.966 -2.380 25225 180 1 . 1 1 138 138 GLU HA H 138 4.049 4.049 4.074 -0.025 25225 181 1 . 1 1 138 138 GLU CA C 138 50.923 50.923 53.676 -2.753 25225 182 1 . 1 1 138 138 GLU CB C 138 25.513 25.513 28.951 -3.438 25225 183 1 . 1 1 138 138 GLU H H 138 7.730 7.730 7.890 -0.160 25225 184 1 . 1 1 139 139 TYR N N 139 113.913 113.913 114.165 -0.253 25225 185 1 . 1 1 139 139 TYR HA H 139 4.556 4.556 4.547 0.009 25225 186 1 . 1 1 139 139 TYR CA C 139 50.050 50.050 52.006 -1.956 25225 187 1 . 1 1 139 139 TYR CB C 139 33.620 33.620 36.690 -3.071 25225 188 1 . 1 1 139 139 TYR H H 139 7.520 7.520 7.644 -0.124 25225 189 1 . 1 1 140 140 PRO HA H 140 4.123 4.123 4.204 -0.081 25225 190 1 . 1 1 140 140 PRO CA C 140 57.636 57.636 59.970 -2.334 25225 191 1 . 1 1 140 140 PRO CB C 140 27.086 27.086 30.042 -2.955 25225 192 1 . 1 1 141 141 PHE N N 141 111.394 111.394 114.617 -3.223 25225 193 1 . 1 1 141 141 PHE HA H 141 4.373 4.373 4.288 0.084 25225 194 1 . 1 1 141 141 PHE CA C 141 51.839 51.839 55.707 -3.869 25225 195 1 . 1 1 141 141 PHE CB C 141 33.892 33.892 37.546 -3.654 25225 196 1 . 1 1 141 141 PHE H H 141 7.367 7.367 7.766 -0.398 25225 197 1 . 1 1 142 142 ASN N N 142 112.632 112.632 112.056 0.576 25225 198 1 . 1 1 142 142 ASN HA H 142 4.422 4.422 4.524 -0.102 25225 199 1 . 1 1 142 142 ASN CA C 142 47.794 47.794 50.555 -2.760 25225 200 1 . 1 1 142 142 ASN CB C 142 33.587 33.587 37.218 -3.631 25225 201 1 . 1 1 142 142 ASN H H 142 7.696 7.696 7.675 0.021 25225 202 1 . 1 1 143 143 GLN N N 143 113.272 113.272 113.999 -0.727 25225 203 1 . 1 1 143 143 GLN HA H 143 4.160 4.160 4.244 -0.084 25225 204 1 . 1 1 143 143 GLN CA C 143 50.276 50.276 52.982 -2.706 25225 205 1 . 1 1 143 143 GLN CB C 143 25.174 25.174 28.480 -3.306 25225 206 1 . 1 1 143 143 GLN H H 143 7.811 7.811 7.957 -0.147 25225 207 1 . 1 1 144 144 SER N N 144 111.360 111.360 109.739 1.621 25225 208 1 . 1 1 144 144 SER HA H 144 4.588 4.588 4.346 0.243 25225 209 1 . 1 1 144 144 SER CA C 144 50.557 50.557 54.344 -3.787 25225 210 1 . 1 1 144 144 SER CB C 144 57.601 57.601 60.378 -2.777 25225 211 1 . 1 1 144 144 SER H H 144 7.836 7.836 7.844 -0.008 25225 212 1 . 1 1 145 145 PRO HA H 145 4.345 4.345 4.276 0.069 25225 213 1 . 1 1 145 145 PRO CA C 145 57.038 57.038 59.731 -2.693 25225 214 1 . 1 1 145 145 PRO CB C 145 27.847 27.847 30.063 -2.215 25225 215 1 . 1 1 146 146 VAL N N 146 114.597 114.597 114.714 -0.118 25225 216 1 . 1 1 146 146 VAL HA H 146 4.089 4.089 4.182 -0.093 25225 217 1 . 1 1 146 146 VAL CA C 146 55.423 55.423 57.519 -2.096 25225 218 1 . 1 1 146 146 VAL CB C 146 28.557 28.557 32.699 -4.142 25225 219 1 . 1 1 146 146 VAL H H 146 7.914 7.914 7.533 0.381 25225 220 1 . 1 1 147 147 VAL N N 147 111.123 111.123 113.436 -2.312 25225 221 1 . 1 1 147 147 VAL HA H 147 5.419 5.419 4.428 0.991 25225 222 1 . 1 1 147 147 VAL H H 147 8.588 8.588 7.797 0.791 25225 223 1 . 1 1 148 148 THR N N 148 101.748 101.748 106.121 -4.373 25225 224 1 . 1 1 148 148 THR HA H 148 4.661 4.661 4.425 0.236 25225 225 1 . 1 1 148 148 THR CA C 148 55.119 55.119 58.168 -3.049 25225 226 1 . 1 1 148 148 THR CB C 148 64.377 64.377 67.459 -3.083 25225 227 1 . 1 1 148 148 THR H H 148 8.020 8.020 7.628 0.392 25225 228 1 . 1 1 149 149 ARG N N 149 114.351 114.351 120.554 -6.202 25225 229 1 . 1 1 149 149 ARG HA H 149 5.349 5.349 4.622 0.728 25225 230 1 . 1 1 149 149 ARG CA C 149 49.380 49.380 52.805 -3.425 25225 231 1 . 1 1 149 149 ARG CB C 149 31.598 31.598 30.780 0.818 25225 232 1 . 1 1 149 149 ARG H H 149 7.242 7.242 8.283 -1.041 25225 233 1 . 1 1 150 150 SER N N 150 108.100 108.100 112.911 -4.812 25225 234 1 . 1 1 150 150 SER HA H 150 4.551 4.551 4.543 0.008 25225 235 1 . 1 1 150 150 SER CA C 150 51.915 51.915 53.958 -2.044 25225 236 1 . 1 1 150 150 SER CB C 150 60.241 60.241 63.162 -2.921 25225 237 1 . 1 1 150 150 SER H H 150 8.274 8.274 7.803 0.471 25225 238 1 . 1 1 151 151 CYS N N 151 114.783 114.783 114.434 0.349 25225 239 1 . 1 1 151 151 CYS HA H 151 4.884 4.884 4.204 0.680 25225 240 1 . 1 1 151 151 CYS CA C 151 52.340 52.340 56.231 -3.891 25225 241 1 . 1 1 151 151 CYS CB C 151 39.920 39.920 26.325 13.595 25225 242 1 . 1 1 151 151 CYS H H 151 8.049 8.049 8.189 -0.139 25225 243 1 . 1 1 152 152 SER N N 152 109.490 109.490 109.610 -0.120 25225 244 1 . 1 1 152 152 SER HA H 152 4.592 4.592 4.509 0.083 25225 245 1 . 1 1 152 152 SER CA C 152 52.032 52.032 54.060 -2.028 25225 246 1 . 1 1 152 152 SER CB C 152 59.623 59.623 61.654 -2.031 25225 247 1 . 1 1 152 152 SER H H 152 8.599 8.599 8.392 0.207 25225 248 1 . 1 1 153 153 SER N N 153 114.748 114.748 110.910 3.838 25225 249 1 . 1 1 153 153 SER HA H 153 4.684 4.684 4.616 0.067 25225 250 1 . 1 1 153 153 SER CA C 153 52.705 52.705 54.798 -2.093 25225 251 1 . 1 1 153 153 SER CB C 153 58.080 58.080 60.395 -2.315 25225 252 1 . 1 1 153 153 SER H H 153 8.344 8.344 8.333 0.011 25225 253 1 . 1 1 154 154 SER N N 154 111.918 111.918 109.993 1.925 25225 254 1 . 1 1 154 154 SER HA H 154 4.327 4.327 4.432 -0.105 25225 255 1 . 1 1 154 154 SER CA C 154 51.380 51.380 55.234 -3.854 25225 256 1 . 1 1 154 154 SER CB C 154 57.134 57.134 60.779 -3.645 25225 257 1 . 1 1 154 154 SER H H 154 7.885 7.885 7.235 0.650 25225 258 1 . 1 1 155 155 CYS N N 155 119.679 119.679 119.601 0.078 25225 259 1 . 1 1 155 155 CYS HA H 155 4.153 4.153 4.174 -0.020 25225 260 1 . 1 1 155 155 CYS CA C 155 52.856 52.856 56.627 -3.771 25225 261 1 . 1 1 155 155 CYS CB C 155 35.435 35.435 23.921 11.514 25225 262 1 . 1 1 155 155 CYS H H 155 8.235 8.235 8.371 -0.136 25225 263 1 . 1 1 156 156 VAL N N 156 123.051 123.051 120.024 3.026 25225 264 1 . 1 1 156 156 VAL HA H 156 3.957 3.957 4.118 -0.161 25225 265 1 . 1 1 156 156 VAL CA C 156 55.996 55.996 57.937 -1.941 25225 266 1 . 1 1 156 156 VAL CB C 156 28.862 28.862 33.118 -4.256 25225 267 1 . 1 1 156 156 VAL H H 156 7.827 7.827 7.611 0.216 25225 268 1 . 1 1 157 157 ALA N N 157 123.766 123.766 121.929 1.837 25225 269 1 . 1 1 157 157 ALA HA H 157 3.935 3.935 4.235 -0.300 25225 270 1 . 1 1 157 157 ALA CA C 157 46.595 46.595 49.578 -2.983 25225 271 1 . 1 1 157 157 ALA CB C 157 15.739 15.739 18.353 -2.614 25225 272 1 . 1 1 157 157 ALA H H 157 7.993 7.993 7.907 0.086 25225 273 1 . 1 1 158 158 THR N N 158 109.371 109.371 110.196 -0.826 25225 274 1 . 1 1 158 158 THR HA H 158 4.003 4.003 4.163 -0.159 25225 275 1 . 1 1 158 158 THR CA C 158 56.247 56.247 58.704 -2.458 25225 276 1 . 1 1 158 158 THR CB C 158 63.473 63.473 66.062 -2.589 25225 277 1 . 1 1 158 158 THR H H 158 7.808 7.808 7.802 0.006 25225 278 1 . 1 1 159 159 ASP N N 159 119.010 119.010 118.854 0.156 25225 279 1 . 1 1 159 159 ASP HA H 159 4.615 4.615 4.704 -0.089 25225 280 1 . 1 1 159 159 ASP CA C 159 46.849 46.849 49.344 -2.495 25225 281 1 . 1 1 159 159 ASP CB C 159 36.347 36.347 39.912 -3.565 25225 282 1 . 1 1 159 159 ASP H H 159 8.121 8.121 7.795 0.325 25225 283 1 . 1 1 160 160 PRO HA H 160 4.161 4.161 4.180 -0.019 25225 284 1 . 1 1 160 160 PRO CA C 160 58.253 58.253 60.691 -2.439 25225 285 1 . 1 1 160 160 PRO CB C 160 27.552 27.552 30.595 -3.043 25225 286 1 . 1 1 161 161 ASP N N 161 111.132 111.132 112.282 -1.150 25225 287 1 . 1 1 161 161 ASP HA H 161 4.474 4.474 4.352 0.121 25225 288 1 . 1 1 161 161 ASP CA C 161 48.814 48.814 51.870 -3.056 25225 289 1 . 1 1 161 161 ASP CB C 161 35.729 35.729 38.933 -3.205 25225 290 1 . 1 1 161 161 ASP H H 161 7.982 7.982 7.722 0.260 25225 291 1 . 1 1 162 162 SER N N 162 109.894 109.894 106.668 3.226 25225 292 1 . 1 1 162 162 SER HA H 162 4.253 4.253 3.985 0.268 25225 293 1 . 1 1 162 162 SER CA C 162 52.602 52.602 56.033 -3.430 25225 294 1 . 1 1 162 162 SER CB C 162 57.725 57.725 59.245 -1.520 25225 295 1 . 1 1 162 162 SER H H 162 7.472 7.472 7.745 -0.274 25225 296 1 . 1 1 163 163 ILE N N 163 116.304 116.304 113.083 3.221 25225 297 1 . 1 1 163 163 ILE HA H 163 3.980 3.980 3.873 0.107 25225 298 1 . 1 1 163 163 ILE CA C 163 55.612 55.612 59.285 -3.673 25225 299 1 . 1 1 163 163 ILE CB C 163 33.785 33.785 36.188 -2.403 25225 300 1 . 1 1 163 163 ILE H H 163 7.693 7.693 7.599 0.094 25225 301 1 . 1 1 164 164 GLY N N 164 107.188 107.188 102.118 5.071 25225 302 1 . 1 1 164 164 GLY CA C 164 40.225 40.225 42.540 -2.315 25225 303 1 . 1 1 164 164 GLY H H 164 8.136 8.136 7.495 0.641 25225 304 1 . 1 1 165 165 ALA N N 165 117.426 117.426 115.654 1.771 25225 305 1 . 1 1 165 165 ALA HA H 165 4.102 4.102 3.780 0.322 25225 306 1 . 1 1 165 165 ALA CA C 165 46.729 46.729 50.035 -3.306 25225 307 1 . 1 1 165 165 ALA CB C 165 15.350 15.350 16.756 -1.406 25225 308 1 . 1 1 165 165 ALA H H 165 7.506 7.506 7.799 -0.293 25225 309 1 . 1 1 166 166 ALA N N 166 116.599 116.599 113.519 3.080 25225 310 1 . 1 1 166 166 ALA HA H 166 4.020 4.020 3.970 0.050 25225 311 1 . 1 1 166 166 ALA CA C 166 47.289 47.289 49.878 -2.589 25225 312 1 . 1 1 166 166 ALA CB C 166 15.362 15.362 18.101 -2.738 25225 313 1 . 1 1 166 166 ALA H H 166 7.831 7.831 7.636 0.195 25225 314 1 . 1 1 167 167 HIS N N 167 108.525 108.525 110.925 -2.400 25225 315 1 . 1 1 167 167 HIS HA H 167 4.738 4.738 4.483 0.254 25225 316 1 . 1 1 167 167 HIS CA C 167 48.591 48.591 52.809 -4.219 25225 317 1 . 1 1 167 167 HIS CB C 167 25.860 25.860 29.046 -3.186 25225 318 1 . 1 1 167 167 HIS H H 167 7.534 7.534 7.314 0.221 25225 319 1 . 1 1 168 168 LEU N N 168 116.882 116.882 118.382 -1.500 25225 320 1 . 1 1 168 168 LEU HA H 168 4.256 4.256 4.271 -0.015 25225 321 1 . 1 1 168 168 LEU CA C 168 49.442 49.442 51.752 -2.310 25225 322 1 . 1 1 168 168 LEU CB C 168 38.683 38.683 39.666 -0.983 25225 323 1 . 1 1 168 168 LEU H H 168 7.952 7.952 7.709 0.243 25225 324 1 . 1 1 169 169 ILE N N 169 115.418 115.418 118.344 -2.926 25225 325 1 . 1 1 169 169 ILE HA H 169 4.662 4.662 4.482 0.179 25225 326 1 . 1 1 169 169 ILE CA C 169 54.013 54.013 57.234 -3.220 25225 327 1 . 1 1 169 169 ILE CB C 169 35.591 35.591 35.851 -0.260 25225 328 1 . 1 1 169 169 ILE H H 169 7.692 7.692 7.637 0.055 25225 329 1 . 1 1 170 170 PHE N N 170 119.225 119.225 121.318 -2.093 25225 330 1 . 1 1 170 170 PHE HA H 170 4.684 4.684 4.482 0.201 25225 331 1 . 1 1 170 170 PHE CA C 170 50.163 50.163 54.990 -4.827 25225 332 1 . 1 1 170 170 PHE CB C 170 36.834 36.834 39.784 -2.950 25225 333 1 . 1 1 170 170 PHE H H 170 8.784 8.784 7.974 0.810 25225 334 1 . 1 1 171 171 CYS N N 171 112.699 112.699 110.963 1.735 25225 335 1 . 1 1 171 171 CYS HA H 171 5.093 5.093 5.138 -0.045 25225 336 1 . 1 1 171 171 CYS CA C 171 47.376 47.376 53.086 -5.710 25225 337 1 . 1 1 171 171 CYS CB C 171 40.252 40.252 28.383 11.869 25225 338 1 . 1 1 171 171 CYS H H 171 8.148 8.148 7.937 0.211 25225 339 1 . 1 1 172 172 CYS N N 172 112.342 112.342 110.392 1.950 25225 340 1 . 1 1 172 172 CYS HA H 172 4.236 4.236 4.418 -0.182 25225 341 1 . 1 1 172 172 CYS CA C 172 49.297 49.297 54.592 -5.294 25225 342 1 . 1 1 172 172 CYS CB C 172 39.074 39.074 28.041 11.033 25225 343 1 . 1 1 172 172 CYS H H 172 8.245 8.245 7.968 0.277 25225 344 1 . 1 1 173 173 PHE N N 173 113.457 113.457 112.659 0.798 25225 345 1 . 1 1 173 173 PHE HA H 173 4.891 4.891 4.693 0.198 25225 346 1 . 1 1 173 173 PHE CA C 173 52.481 52.481 54.746 -2.265 25225 347 1 . 1 1 173 173 PHE CB C 173 35.568 35.568 37.691 -2.123 25225 348 1 . 1 1 173 173 PHE H H 173 8.370 8.370 8.184 0.186 25225 349 1 . 1 1 174 174 ARG N N 174 113.285 113.285 114.708 -1.423 25225 350 1 . 1 1 174 174 ARG HA H 174 4.535 4.535 4.385 0.150 25225 351 1 . 1 1 174 174 ARG CA C 174 48.579 48.579 52.028 -3.449 25225 352 1 . 1 1 174 174 ARG CB C 174 29.668 29.668 31.696 -2.028 25225 353 1 . 1 1 174 174 ARG H H 174 7.078 7.078 7.418 -0.341 25225 354 1 . 1 1 175 175 ASP N N 175 113.852 113.852 117.483 -3.632 25225 355 1 . 1 1 175 175 ASP HA H 175 4.604 4.604 4.574 0.030 25225 356 1 . 1 1 175 175 ASP CA C 175 49.888 49.888 52.452 -2.564 25225 357 1 . 1 1 175 175 ASP CB C 175 36.608 36.608 38.468 -1.860 25225 358 1 . 1 1 175 175 ASP H H 175 7.875 7.875 8.201 -0.325 25225 359 1 . 1 1 176 176 LEU N N 176 108.726 108.726 112.853 -4.127 25225 360 1 . 1 1 176 176 LEU HA H 176 3.177 3.177 3.637 -0.460 25225 361 1 . 1 1 176 176 LEU CA C 176 49.532 49.532 52.442 -2.910 25225 362 1 . 1 1 176 176 LEU CB C 176 32.192 32.192 37.057 -4.866 25225 363 1 . 1 1 176 176 LEU H H 176 8.833 8.833 8.249 0.584 25225 364 1 . 1 1 177 177 CYS N N 177 106.496 106.496 109.657 -3.161 25225 365 1 . 1 1 177 177 CYS HA H 177 4.320 4.320 4.009 0.310 25225 366 1 . 1 1 177 177 CYS CA C 177 50.855 50.855 57.109 -6.254 25225 367 1 . 1 1 177 177 CYS CB C 177 39.503 39.503 25.779 13.724 25225 368 1 . 1 1 177 177 CYS H H 177 7.442 7.442 7.639 -0.197 25225 369 1 . 1 1 178 178 ASN N N 178 116.049 116.049 111.980 4.069 25225 370 1 . 1 1 178 178 ASN HA H 178 4.539 4.539 4.514 0.025 25225 371 1 . 1 1 178 178 ASN CA C 178 47.086 47.086 49.731 -2.645 25225 372 1 . 1 1 178 178 ASN CB C 178 31.481 31.481 38.164 -6.683 25225 373 1 . 1 1 178 178 ASN H H 178 8.563 8.563 7.483 1.080 25225 374 1 . 1 1 179 179 SER N N 179 103.972 103.972 109.388 -5.416 25225 375 1 . 1 1 179 179 SER HA H 179 3.748 3.748 3.865 -0.117 25225 376 1 . 1 1 179 179 SER CA C 179 52.337 52.337 55.491 -3.153 25225 377 1 . 1 1 179 179 SER CB C 179 56.162 56.162 60.310 -4.147 25225 378 1 . 1 1 179 179 SER H H 179 7.108 7.108 8.069 -0.962 25225 379 1 . 1 1 180 180 GLU N N 180 114.033 114.033 115.785 -1.751 25225 380 1 . 1 1 180 180 GLU HA H 180 4.141 4.141 4.064 0.077 25225 381 1 . 1 1 180 180 GLU CA C 180 49.615 49.615 53.443 -3.828 25225 382 1 . 1 1 180 180 GLU CB C 180 27.017 27.017 29.111 -2.093 25225 383 1 . 1 1 180 180 GLU H H 180 7.539 7.539 7.690 -0.151 25225 384 1 . 1 1 101 101 LEU N N 101 6.393 6.393 6.202 0.191 25225 385 1 . 1 1 101 101 LEU HA H 101 0.232 0.232 0.230 0.001 25225 386 1 . 1 1 101 101 LEU CA C 101 2.594 2.594 2.735 -0.141 25225 387 1 . 1 1 101 101 LEU CB C 101 2.101 2.101 2.110 -0.009 25225 388 1 . 1 1 101 101 LEU H H 101 0.438 0.438 0.430 0.008 25225 389 1 . 1 1 102 102 LYS N N 102 6.050 6.050 6.289 -0.238 25225 390 1 . 1 1 102 102 LYS HA H 102 0.263 0.263 0.255 0.008 25225 391 1 . 1 1 102 102 LYS CA C 102 2.580 2.580 2.766 -0.187 25225 392 1 . 1 1 102 102 LYS CB C 102 1.601 1.601 1.811 -0.210 25225 393 1 . 1 1 102 102 LYS H H 102 0.394 0.394 0.413 -0.020 25225 394 1 . 1 1 103 103 CYS N N 103 5.885 5.885 5.971 -0.085 25225 395 1 . 1 1 103 103 CYS HA H 103 0.247 0.247 0.234 0.014 25225 396 1 . 1 1 103 103 CYS CA C 103 2.450 2.450 2.924 -0.474 25225 397 1 . 1 1 103 103 CYS CB C 103 1.946 1.946 1.596 0.350 25225 398 1 . 1 1 103 103 CYS H H 103 0.421 0.421 0.420 0.002 25225 399 1 . 1 1 104 104 TYR N N 104 6.055 6.055 6.116 -0.061 25225 400 1 . 1 1 104 104 TYR HA H 104 0.257 0.257 0.234 0.023 25225 401 1 . 1 1 104 104 TYR CA C 104 2.777 2.777 2.886 -0.109 25225 402 1 . 1 1 104 104 TYR CB C 104 1.739 1.739 1.834 -0.095 25225 403 1 . 1 1 104 104 TYR H H 104 0.422 0.422 0.450 -0.028 25225 404 1 . 1 1 105 105 THR N N 105 5.532 5.532 5.709 -0.177 25225 405 1 . 1 1 105 105 THR HA H 105 0.231 0.231 0.243 -0.012 25225 406 1 . 1 1 105 105 THR CA C 105 2.869 2.869 2.994 -0.126 25225 407 1 . 1 1 105 105 THR CB C 105 3.504 3.504 3.518 -0.014 25225 408 1 . 1 1 105 105 THR H H 105 0.466 0.466 0.402 0.063 25225 409 1 . 1 1 106 106 CYS N N 106 5.457 5.457 6.211 -0.754 25225 410 1 . 1 1 106 106 CYS HA H 106 0.242 0.242 0.239 0.003 25225 411 1 . 1 1 106 106 CYS CA C 106 2.712 2.712 2.869 -0.158 25225 412 1 . 1 1 106 106 CYS CB C 106 2.155 2.155 1.447 0.708 25225 413 1 . 1 1 106 106 CYS H H 106 0.413 0.413 0.408 0.005 25225 414 1 . 1 1 107 107 LYS N N 107 6.041 6.041 6.118 -0.077 25225 415 1 . 1 1 107 107 LYS HA H 107 0.218 0.218 0.209 0.009 25225 416 1 . 1 1 107 107 LYS CA C 107 2.710 2.710 2.931 -0.221 25225 417 1 . 1 1 107 107 LYS CB C 107 1.528 1.528 1.643 -0.114 25225 418 1 . 1 1 107 107 LYS H H 107 0.431 0.431 0.429 0.002 25225 419 1 . 1 1 108 108 GLU N N 108 5.927 5.927 5.784 0.143 25225 420 1 . 1 1 108 108 GLU HA H 108 0.236 0.236 0.232 0.004 25225 421 1 . 1 1 108 108 GLU CA C 108 2.486 2.486 2.738 -0.253 25225 422 1 . 1 1 108 108 GLU CB C 108 1.350 1.350 1.621 -0.271 25225 423 1 . 1 1 108 108 GLU H H 108 0.381 0.381 0.407 -0.025 25225 424 1 . 1 1 109 109 PRO HA H 109 0.228 0.228 0.221 0.007 25225 425 1 . 1 1 109 109 PRO CA C 109 2.982 2.982 3.165 -0.184 25225 426 1 . 1 1 109 109 PRO CB C 109 1.429 1.429 1.564 -0.136 25225 427 1 . 1 1 110 110 MET N N 110 6.147 6.147 6.193 -0.046 25225 428 1 . 1 1 110 110 MET HA H 110 0.241 0.241 0.239 0.003 25225 429 1 . 1 1 110 110 MET CA C 110 2.575 2.575 2.700 -0.125 25225 430 1 . 1 1 110 110 MET CB C 110 1.732 1.732 1.747 -0.015 25225 431 1 . 1 1 110 110 MET H H 110 0.451 0.451 0.392 0.059 25225 432 1 . 1 1 111 111 THR N N 111 5.522 5.522 5.707 -0.185 25225 433 1 . 1 1 111 111 THR HA H 111 0.227 0.227 0.206 0.020 25225 434 1 . 1 1 111 111 THR CA C 111 2.951 2.951 3.185 -0.233 25225 435 1 . 1 1 111 111 THR H H 111 0.414 0.414 0.415 -0.001 25225 436 1 . 1 1 112 112 SER N N 112 5.775 5.775 5.795 -0.020 25225 437 1 . 1 1 112 112 SER HA H 112 0.195 0.195 0.218 -0.024 25225 438 1 . 1 1 112 112 SER CA C 112 2.897 2.897 2.919 -0.023 25225 439 1 . 1 1 112 112 SER CB C 112 2.975 2.975 3.176 -0.201 25225 440 1 . 1 1 112 112 SER H H 112 0.437 0.437 0.387 0.050 25225 441 1 . 1 1 113 113 ALA N N 113 5.954 5.954 6.434 -0.480 25225 442 1 . 1 1 113 113 ALA HA H 113 0.201 0.201 0.213 -0.012 25225 443 1 . 1 1 113 113 ALA H H 113 0.419 0.419 0.430 -0.012 25225 444 1 . 1 1 114 114 SER N N 114 5.542 5.542 5.716 -0.174 25225 445 1 . 1 1 114 114 SER HA H 114 0.226 0.226 0.219 0.006 25225 446 1 . 1 1 114 114 SER CA C 114 2.795 2.795 2.947 -0.153 25225 447 1 . 1 1 114 114 SER CB C 114 3.069 3.069 3.183 -0.115 25225 448 1 . 1 1 114 114 SER H H 114 0.378 0.378 0.388 -0.010 25225 449 1 . 1 1 115 115 CYS N N 115 6.227 6.227 6.000 0.227 25225 450 1 . 1 1 115 115 CYS HA H 115 0.254 0.254 0.212 0.042 25225 451 1 . 1 1 115 115 CYS CA C 115 2.661 2.661 2.974 -0.313 25225 452 1 . 1 1 115 115 CYS CB C 115 2.053 2.053 1.293 0.760 25225 453 1 . 1 1 115 115 CYS H H 115 0.379 0.379 0.413 -0.034 25225 454 1 . 1 1 116 116 ARG N N 116 6.094 6.094 6.158 -0.064 25225 455 1 . 1 1 116 116 ARG HA H 116 0.225 0.225 0.236 -0.011 25225 456 1 . 1 1 116 116 ARG CA C 116 2.595 2.595 2.774 -0.179 25225 457 1 . 1 1 116 116 ARG CB C 116 1.430 1.430 1.623 -0.192 25225 458 1 . 1 1 116 116 ARG H H 116 0.393 0.393 0.407 -0.014 25225 459 1 . 1 1 117 117 THR N N 117 5.977 5.977 5.792 0.185 25225 460 1 . 1 1 117 117 THR HA H 117 0.216 0.216 0.231 -0.016 25225 461 1 . 1 1 117 117 THR CA C 117 3.074 3.074 3.070 0.004 25225 462 1 . 1 1 117 117 THR CB C 117 3.277 3.277 3.608 -0.331 25225 463 1 . 1 1 117 117 THR H H 117 0.415 0.415 0.411 0.005 25225 464 1 . 1 1 118 118 ILE N N 118 6.498 6.498 6.306 0.192 25225 465 1 . 1 1 118 118 ILE HA H 118 0.196 0.196 0.188 0.008 25225 466 1 . 1 1 118 118 ILE CA C 118 3.018 3.018 3.111 -0.093 25225 467 1 . 1 1 118 118 ILE CB C 118 1.737 1.737 1.863 -0.126 25225 468 1 . 1 1 118 118 ILE H H 118 0.447 0.447 0.432 0.016 25225 469 1 . 1 1 119 119 THR N N 119 6.338 6.338 6.184 0.154 25225 470 1 . 1 1 119 119 THR HA H 119 0.224 0.224 0.232 -0.008 25225 471 1 . 1 1 119 119 THR CA C 119 2.910 2.910 3.025 -0.115 25225 472 1 . 1 1 119 119 THR CB C 119 3.390 3.390 3.592 -0.203 25225 473 1 . 1 1 119 119 THR H H 119 0.436 0.436 0.427 0.009 25225 474 1 . 1 1 120 120 ARG N N 120 6.315 6.315 6.228 0.087 25225 475 1 . 1 1 120 120 ARG HA H 120 0.215 0.215 0.223 -0.008 25225 476 1 . 1 1 120 120 ARG CA C 120 2.669 2.669 2.785 -0.116 25225 477 1 . 1 1 120 120 ARG CB C 120 1.332 1.332 1.526 -0.194 25225 478 1 . 1 1 120 120 ARG H H 120 0.427 0.427 0.424 0.004 25225 479 1 . 1 1 121 121 CYS N N 121 6.298 6.298 6.256 0.042 25225 480 1 . 1 1 121 121 CYS HA H 121 0.239 0.239 0.216 0.023 25225 481 1 . 1 1 121 121 CYS CA C 121 2.444 2.444 2.959 -0.515 25225 482 1 . 1 1 121 121 CYS CB C 121 1.683 1.683 1.399 0.284 25225 483 1 . 1 1 121 121 CYS H H 121 0.437 0.437 0.432 0.006 25225 484 1 . 1 1 122 122 LYS N N 122 5.995 5.995 6.107 -0.113 25225 485 1 . 1 1 122 122 LYS HA H 122 0.224 0.224 0.229 -0.005 25225 486 1 . 1 1 122 122 LYS CA C 122 2.639 2.639 2.761 -0.122 25225 487 1 . 1 1 122 122 LYS CB C 122 1.373 1.373 1.606 -0.233 25225 488 1 . 1 1 122 122 LYS H H 122 0.429 0.429 0.416 0.013 25225 489 1 . 1 1 123 123 PRO HA H 123 0.212 0.212 0.215 -0.003 25225 490 1 . 1 1 123 123 PRO CA C 123 3.150 3.150 3.246 -0.096 25225 491 1 . 1 1 123 123 PRO CB C 123 1.434 1.434 1.597 -0.162 25225 492 1 . 1 1 124 124 GLU N N 124 5.644 5.644 5.863 -0.219 25225 493 1 . 1 1 124 124 GLU HA H 124 0.211 0.211 0.210 0.001 25225 494 1 . 1 1 124 124 GLU CA C 124 2.701 2.701 2.842 -0.141 25225 495 1 . 1 1 124 124 GLU CB C 124 1.289 1.289 1.451 -0.162 25225 496 1 . 1 1 124 124 GLU H H 124 0.445 0.445 0.420 0.025 25225 497 1 . 1 1 125 125 ASP N N 125 6.049 6.049 6.031 0.018 25225 498 1 . 1 1 125 125 ASP HA H 125 0.226 0.226 0.232 -0.007 25225 499 1 . 1 1 125 125 ASP CA C 125 2.658 2.658 2.758 -0.100 25225 500 1 . 1 1 125 125 ASP CB C 125 1.854 1.854 2.096 -0.242 25225 501 1 . 1 1 125 125 ASP H H 125 0.384 0.384 0.372 0.011 25225 502 1 . 1 1 126 126 THR N N 126 5.536 5.536 5.487 0.049 25225 503 1 . 1 1 126 126 THR HA H 126 0.222 0.222 0.226 -0.004 25225 504 1 . 1 1 126 126 THR CA C 126 2.890 2.890 3.118 -0.228 25225 505 1 . 1 1 126 126 THR CB C 126 3.404 3.404 3.563 -0.159 25225 506 1 . 1 1 126 126 THR H H 126 0.407 0.407 0.402 0.005 25225 507 1 . 1 1 127 127 ALA N N 127 6.153 6.153 6.120 0.033 25225 508 1 . 1 1 127 127 ALA HA H 127 0.248 0.248 0.223 0.025 25225 509 1 . 1 1 127 127 ALA CA C 127 2.391 2.391 2.484 -0.093 25225 510 1 . 1 1 127 127 ALA CB C 127 1.051 1.051 1.019 0.031 25225 511 1 . 1 1 127 127 ALA H H 127 0.420 0.420 0.402 0.018 25225 512 1 . 1 1 128 128 CYS N N 128 5.791 5.791 5.838 -0.047 25225 513 1 . 1 1 128 128 CYS HA H 128 0.270 0.270 0.234 0.036 25225 514 1 . 1 1 128 128 CYS CA C 128 2.457 2.457 2.935 -0.478 25225 515 1 . 1 1 128 128 CYS CB C 128 1.686 1.686 1.575 0.111 25225 516 1 . 1 1 128 128 CYS H H 128 0.438 0.438 0.422 0.016 25225 517 1 . 1 1 129 129 MET N N 129 6.304 6.304 5.979 0.325 25225 518 1 . 1 1 129 129 MET HA H 129 0.274 0.274 0.246 0.028 25225 519 1 . 1 1 129 129 MET CA C 129 2.582 2.582 2.758 -0.177 25225 520 1 . 1 1 129 129 MET CB C 129 1.765 1.765 1.889 -0.123 25225 521 1 . 1 1 129 129 MET H H 129 0.468 0.468 0.460 0.009 25225 522 1 . 1 1 130 130 THR N N 130 6.185 6.185 5.960 0.225 25225 523 1 . 1 1 130 130 THR HA H 130 0.259 0.259 0.237 0.022 25225 524 1 . 1 1 130 130 THR CA C 130 2.963 2.963 3.090 -0.127 25225 525 1 . 1 1 130 130 THR CB C 130 3.427 3.427 3.595 -0.167 25225 526 1 . 1 1 130 130 THR H H 130 0.445 0.445 0.420 0.025 25225 527 1 . 1 1 131 131 THR N N 131 6.182 6.182 6.202 -0.019 25225 528 1 . 1 1 131 131 THR HA H 131 0.256 0.256 0.256 -0.000 25225 529 1 . 1 1 131 131 THR CA C 131 2.918 2.918 3.086 -0.167 25225 530 1 . 1 1 131 131 THR CB C 131 3.326 3.326 3.463 -0.137 25225 531 1 . 1 1 131 131 THR H H 131 0.464 0.464 0.429 0.035 25225 532 1 . 1 1 132 132 LEU N N 132 6.421 6.421 6.421 0.000 25225 533 1 . 1 1 132 132 LEU HA H 132 0.237 0.237 0.243 -0.005 25225 534 1 . 1 1 132 132 LEU CA C 132 2.596 2.596 2.686 -0.090 25225 535 1 . 1 1 132 132 LEU CB C 132 2.037 2.037 2.278 -0.241 25225 536 1 . 1 1 132 132 LEU H H 132 0.457 0.457 0.450 0.007 25225 537 1 . 1 1 133 133 VAL N N 133 6.348 6.348 6.222 0.126 25225 538 1 . 1 1 133 133 VAL HA H 133 0.204 0.204 0.222 -0.018 25225 539 1 . 1 1 133 133 VAL CA C 133 3.013 3.013 3.074 -0.061 25225 540 1 . 1 1 133 133 VAL CB C 133 1.479 1.479 1.659 -0.180 25225 541 1 . 1 1 133 133 VAL H H 133 0.439 0.439 0.419 0.020 25225 542 1 . 1 1 134 134 THR N N 134 5.764 5.764 6.069 -0.305 25225 543 1 . 1 1 134 134 THR HA H 134 0.224 0.224 0.228 -0.004 25225 544 1 . 1 1 134 134 THR CA C 134 2.917 2.917 3.069 -0.152 25225 545 1 . 1 1 134 134 THR CB C 134 3.330 3.330 3.495 -0.166 25225 546 1 . 1 1 134 134 THR H H 134 0.394 0.394 0.401 -0.008 25225 547 1 . 1 1 135 135 VAL N N 135 6.060 6.060 6.005 0.055 25225 548 1 . 1 1 135 135 VAL HA H 135 0.215 0.215 0.196 0.019 25225 549 1 . 1 1 135 135 VAL CA C 135 2.927 2.927 3.204 -0.277 25225 550 1 . 1 1 135 135 VAL CB C 135 1.510 1.510 1.571 -0.061 25225 551 1 . 1 1 135 135 VAL H H 135 0.407 0.407 0.416 -0.009 25225 552 1 . 1 1 136 136 GLU N N 136 6.196 6.196 6.096 0.100 25225 553 1 . 1 1 136 136 GLU HA H 136 0.216 0.216 0.209 0.007 25225 554 1 . 1 1 136 136 GLU CA C 136 2.673 2.673 2.837 -0.165 25225 555 1 . 1 1 136 136 GLU CB C 136 1.619 1.619 1.501 0.118 25225 556 1 . 1 1 136 136 GLU H H 136 0.421 0.421 0.407 0.014 25225 557 1 . 1 1 137 137 ALA N N 137 6.205 6.205 6.420 -0.214 25225 558 1 . 1 1 137 137 ALA HA H 137 0.214 0.214 0.229 -0.014 25225 559 1 . 1 1 137 137 ALA CA C 137 2.485 2.485 2.593 -0.107 25225 560 1 . 1 1 137 137 ALA CB C 137 0.815 0.815 0.998 -0.183 25225 561 1 . 1 1 137 137 ALA H H 137 0.415 0.415 0.414 0.000 25225 562 1 . 1 1 138 138 GLU N N 138 5.873 5.873 6.164 -0.291 25225 563 1 . 1 1 138 138 GLU HA H 138 0.213 0.213 0.207 0.006 25225 564 1 . 1 1 138 138 GLU CA C 138 2.680 2.680 2.874 -0.194 25225 565 1 . 1 1 138 138 GLU CB C 138 1.343 1.343 1.491 -0.148 25225 566 1 . 1 1 138 138 GLU H H 138 0.407 0.407 0.437 -0.030 25225 567 1 . 1 1 139 139 TYR N N 139 5.995 5.995 6.114 -0.118 25225 568 1 . 1 1 139 139 TYR HA H 139 0.240 0.240 0.245 -0.005 25225 569 1 . 1 1 139 139 TYR CA C 139 2.634 2.634 2.682 -0.048 25225 570 1 . 1 1 139 139 TYR CB C 139 1.769 1.769 1.923 -0.154 25225 571 1 . 1 1 139 139 TYR H H 139 0.396 0.396 0.391 0.005 25225 572 1 . 1 1 140 140 PRO HA H 140 0.217 0.217 0.225 -0.008 25225 573 1 . 1 1 140 140 PRO CA C 140 3.033 3.033 3.158 -0.124 25225 574 1 . 1 1 140 140 PRO CB C 140 1.426 1.426 1.536 -0.111 25225 575 1 . 1 1 141 141 PHE N N 141 5.863 5.863 6.208 -0.345 25225 576 1 . 1 1 141 141 PHE HA H 141 0.230 0.230 0.218 0.012 25225 577 1 . 1 1 141 141 PHE CA C 141 2.728 2.728 2.908 -0.179 25225 578 1 . 1 1 141 141 PHE CB C 141 1.784 1.784 2.013 -0.229 25225 579 1 . 1 1 141 141 PHE H H 141 0.388 0.388 0.405 -0.017 25225 580 1 . 1 1 142 142 ASN N N 142 5.928 5.928 5.919 0.009 25225 581 1 . 1 1 142 142 ASN HA H 142 0.233 0.233 0.236 -0.003 25225 582 1 . 1 1 142 142 ASN CA C 142 2.516 2.516 2.664 -0.148 25225 583 1 . 1 1 142 142 ASN CB C 142 1.768 1.768 2.002 -0.235 25225 584 1 . 1 1 142 142 ASN H H 142 0.405 0.405 0.412 -0.007 25225 585 1 . 1 1 143 143 GLN N N 143 5.962 5.962 6.189 -0.227 25225 586 1 . 1 1 143 143 GLN HA H 143 0.219 0.219 0.224 -0.005 25225 587 1 . 1 1 143 143 GLN CA C 143 2.646 2.646 2.789 -0.143 25225 588 1 . 1 1 143 143 GLN CB C 143 1.325 1.325 1.424 -0.099 25225 589 1 . 1 1 143 143 GLN H H 143 0.411 0.411 0.431 -0.020 25225 590 1 . 1 1 144 144 SER N N 144 5.861 5.861 6.025 -0.164 25225 591 1 . 1 1 144 144 SER HA H 144 0.241 0.241 0.231 0.011 25225 592 1 . 1 1 144 144 SER CA C 144 2.661 2.661 2.874 -0.213 25225 593 1 . 1 1 144 144 SER CB C 144 3.032 3.032 3.180 -0.148 25225 594 1 . 1 1 144 144 SER H H 144 0.412 0.412 0.429 -0.017 25225 595 1 . 1 1 145 145 PRO HA H 145 0.229 0.229 0.228 0.001 25225 596 1 . 1 1 145 145 PRO CA C 145 3.002 3.002 3.144 -0.142 25225 597 1 . 1 1 145 145 PRO CB C 145 1.466 1.466 1.539 -0.073 25225 598 1 . 1 1 146 146 VAL N N 146 6.031 6.031 6.032 -0.001 25225 599 1 . 1 1 146 146 VAL HA H 146 0.215 0.215 0.223 -0.008 25225 600 1 . 1 1 146 146 VAL CA C 146 2.917 2.917 3.008 -0.091 25225 601 1 . 1 1 146 146 VAL CB C 146 1.503 1.503 1.764 -0.261 25225 602 1 . 1 1 146 146 VAL H H 146 0.416 0.416 0.385 0.031 25225 603 1 . 1 1 147 147 VAL N N 147 5.849 5.849 5.861 -0.012 25225 604 1 . 1 1 147 147 VAL HA H 147 0.285 0.285 0.241 0.044 25225 605 1 . 1 1 147 147 VAL H H 147 0.452 0.452 0.404 0.048 25225 606 1 . 1 1 148 148 THR N N 148 5.355 5.355 5.524 -0.169 25225 607 1 . 1 1 148 148 THR HA H 148 0.245 0.245 0.233 0.012 25225 608 1 . 1 1 148 148 THR CA C 148 2.901 2.901 3.066 -0.165 25225 609 1 . 1 1 148 148 THR CB C 148 3.388 3.388 3.553 -0.165 25225 610 1 . 1 1 148 148 THR H H 148 0.422 0.422 0.400 0.022 25225 611 1 . 1 1 149 149 ARG N N 149 6.019 6.019 6.385 -0.366 25225 612 1 . 1 1 149 149 ARG HA H 149 0.282 0.282 0.249 0.033 25225 613 1 . 1 1 149 149 ARG CA C 149 2.599 2.599 2.767 -0.168 25225 614 1 . 1 1 149 149 ARG CB C 149 1.663 1.663 1.622 0.041 25225 615 1 . 1 1 149 149 ARG H H 149 0.381 0.381 0.425 -0.044 25225 616 1 . 1 1 150 150 SER N N 150 5.689 5.689 5.965 -0.276 25225 617 1 . 1 1 150 150 SER HA H 150 0.239 0.239 0.236 0.003 25225 618 1 . 1 1 150 150 SER CA C 150 2.732 2.732 2.822 -0.090 25225 619 1 . 1 1 150 150 SER CB C 150 3.171 3.171 3.294 -0.124 25225 620 1 . 1 1 150 150 SER H H 150 0.435 0.435 0.409 0.027 25225 621 1 . 1 1 151 151 CYS N N 151 6.041 6.041 6.005 0.036 25225 622 1 . 1 1 151 151 CYS HA H 151 0.257 0.257 0.226 0.031 25225 623 1 . 1 1 151 151 CYS CA C 151 2.755 2.755 2.941 -0.187 25225 624 1 . 1 1 151 151 CYS CB C 151 2.101 2.101 1.407 0.694 25225 625 1 . 1 1 151 151 CYS H H 151 0.424 0.424 0.432 -0.009 25225 626 1 . 1 1 152 152 SER N N 152 5.763 5.763 5.738 0.025 25225 627 1 . 1 1 152 152 SER HA H 152 0.242 0.242 0.234 0.007 25225 628 1 . 1 1 152 152 SER CA C 152 2.739 2.739 2.868 -0.130 25225 629 1 . 1 1 152 152 SER CB C 152 3.138 3.138 3.249 -0.111 25225 630 1 . 1 1 152 152 SER H H 152 0.453 0.453 0.438 0.015 25225 631 1 . 1 1 153 153 SER N N 153 6.039 6.039 6.031 0.008 25225 632 1 . 1 1 153 153 SER HA H 153 0.246 0.246 0.236 0.010 25225 633 1 . 1 1 153 153 SER CA C 153 2.774 2.774 2.904 -0.130 25225 634 1 . 1 1 153 153 SER CB C 153 3.057 3.057 3.147 -0.090 25225 635 1 . 1 1 153 153 SER H H 153 0.439 0.439 0.443 -0.003 25225 636 1 . 1 1 154 154 SER N N 154 5.890 5.890 5.807 0.084 25225 637 1 . 1 1 154 154 SER HA H 154 0.228 0.228 0.232 -0.005 25225 638 1 . 1 1 154 154 SER CA C 154 2.704 2.704 2.888 -0.184 25225 639 1 . 1 1 154 154 SER CB C 154 3.007 3.007 3.175 -0.168 25225 640 1 . 1 1 154 154 SER H H 154 0.415 0.415 0.377 0.038 25225 641 1 . 1 1 155 155 CYS N N 155 6.299 6.299 6.292 0.007 25225 642 1 . 1 1 155 155 CYS HA H 155 0.219 0.219 0.219 -0.000 25225 643 1 . 1 1 155 155 CYS CA C 155 2.782 2.782 3.002 -0.220 25225 644 1 . 1 1 155 155 CYS CB C 155 1.865 1.865 1.264 0.601 25225 645 1 . 1 1 155 155 CYS H H 155 0.433 0.433 0.447 -0.014 25225 646 1 . 1 1 156 156 VAL N N 156 6.476 6.476 6.282 0.195 25225 647 1 . 1 1 156 156 VAL HA H 156 0.208 0.208 0.233 -0.025 25225 648 1 . 1 1 156 156 VAL CA C 156 2.947 2.947 3.010 -0.063 25225 649 1 . 1 1 156 156 VAL CB C 156 1.519 1.519 1.727 -0.208 25225 650 1 . 1 1 156 156 VAL H H 156 0.412 0.412 0.403 0.009 25225 651 1 . 1 1 157 157 ALA N N 157 6.514 6.514 6.083 0.430 25225 652 1 . 1 1 157 157 ALA HA H 157 0.207 0.207 0.235 -0.028 25225 653 1 . 1 1 157 157 ALA CA C 157 2.452 2.452 2.565 -0.113 25225 654 1 . 1 1 157 157 ALA CB C 157 0.828 0.828 1.032 -0.204 25225 655 1 . 1 1 157 157 ALA H H 157 0.421 0.421 0.406 0.015 25225 656 1 . 1 1 158 158 THR N N 158 5.756 5.756 5.626 0.131 25225 657 1 . 1 1 158 158 THR HA H 158 0.211 0.211 0.217 -0.007 25225 658 1 . 1 1 158 158 THR CA C 158 2.960 2.960 3.070 -0.110 25225 659 1 . 1 1 158 158 THR CB C 158 3.341 3.341 3.473 -0.132 25225 660 1 . 1 1 158 158 THR H H 158 0.411 0.411 0.410 0.001 25225 661 1 . 1 1 159 159 ASP N N 159 6.264 6.264 5.991 0.273 25225 662 1 . 1 1 159 159 ASP HA H 159 0.243 0.243 0.234 0.009 25225 663 1 . 1 1 159 159 ASP CA C 159 2.466 2.466 2.626 -0.160 25225 664 1 . 1 1 159 159 ASP CB C 159 1.913 1.913 2.003 -0.090 25225 665 1 . 1 1 159 159 ASP H H 159 0.427 0.427 0.416 0.011 25225 666 1 . 1 1 160 160 PRO HA H 160 0.219 0.219 0.217 0.002 25225 667 1 . 1 1 160 160 PRO CA C 160 3.066 3.066 3.194 -0.128 25225 668 1 . 1 1 160 160 PRO CB C 160 1.450 1.450 1.598 -0.148 25225 669 1 . 1 1 161 161 ASP N N 161 5.849 5.849 5.918 -0.069 25225 670 1 . 1 1 161 161 ASP HA H 161 0.235 0.235 0.226 0.009 25225 671 1 . 1 1 161 161 ASP CA C 161 2.569 2.569 2.758 -0.189 25225 672 1 . 1 1 161 161 ASP CB C 161 1.880 1.880 2.049 -0.169 25225 673 1 . 1 1 161 161 ASP H H 161 0.420 0.420 0.399 0.021 25225 674 1 . 1 1 162 162 SER N N 162 5.784 5.784 5.576 0.208 25225 675 1 . 1 1 162 162 SER HA H 162 0.224 0.224 0.202 0.022 25225 676 1 . 1 1 162 162 SER CA C 162 2.769 2.769 2.970 -0.202 25225 677 1 . 1 1 162 162 SER CB C 162 3.038 3.038 3.110 -0.072 25225 678 1 . 1 1 162 162 SER H H 162 0.393 0.393 0.407 -0.014 25225 679 1 . 1 1 163 163 ILE N N 163 6.121 6.121 6.084 0.037 25225 680 1 . 1 1 163 163 ILE HA H 163 0.210 0.210 0.200 0.009 25225 681 1 . 1 1 163 163 ILE CA C 163 2.927 2.927 3.118 -0.191 25225 682 1 . 1 1 163 163 ILE CB C 163 1.778 1.778 1.756 0.023 25225 683 1 . 1 1 163 163 ILE H H 163 0.405 0.405 0.409 -0.004 25225 684 1 . 1 1 164 164 GLY N N 164 5.641 5.641 5.726 -0.084 25225 685 1 . 1 1 164 164 GLY CA C 164 2.117 2.117 2.297 -0.180 25225 686 1 . 1 1 164 164 GLY H H 164 0.428 0.428 0.406 0.022 25225 687 1 . 1 1 165 165 ALA N N 165 6.180 6.180 6.147 0.033 25225 688 1 . 1 1 165 165 ALA HA H 165 0.216 0.216 0.197 0.019 25225 689 1 . 1 1 165 165 ALA CA C 165 2.459 2.459 2.626 -0.167 25225 690 1 . 1 1 165 165 ALA CB C 165 0.808 0.808 0.895 -0.087 25225 691 1 . 1 1 165 165 ALA H H 165 0.395 0.395 0.407 -0.012 25225 692 1 . 1 1 166 166 ALA N N 166 6.137 6.137 6.003 0.134 25225 693 1 . 1 1 166 166 ALA HA H 166 0.212 0.212 0.205 0.007 25225 694 1 . 1 1 166 166 ALA CA C 166 2.489 2.489 2.662 -0.173 25225 695 1 . 1 1 166 166 ALA CB C 166 0.809 0.809 0.968 -0.159 25225 696 1 . 1 1 166 166 ALA H H 166 0.412 0.412 0.406 0.006 25225 697 1 . 1 1 167 167 HIS N N 167 5.712 5.712 5.771 -0.059 25225 698 1 . 1 1 167 167 HIS HA H 167 0.249 0.249 0.235 0.015 25225 699 1 . 1 1 167 167 HIS CA C 167 2.557 2.557 2.743 -0.186 25225 700 1 . 1 1 167 167 HIS CB C 167 1.361 1.361 1.525 -0.164 25225 701 1 . 1 1 167 167 HIS H H 167 0.397 0.397 0.385 0.012 25225 702 1 . 1 1 168 168 LEU N N 168 6.152 6.152 6.300 -0.148 25225 703 1 . 1 1 168 168 LEU HA H 168 0.224 0.224 0.218 0.006 25225 704 1 . 1 1 168 168 LEU CA C 168 2.602 2.602 2.758 -0.156 25225 705 1 . 1 1 168 168 LEU CB C 168 2.036 2.036 2.109 -0.073 25225 706 1 . 1 1 168 168 LEU H H 168 0.419 0.419 0.435 -0.017 25225 707 1 . 1 1 169 169 ILE N N 169 6.075 6.075 6.259 -0.184 25225 708 1 . 1 1 169 169 ILE HA H 169 0.245 0.245 0.238 0.007 25225 709 1 . 1 1 169 169 ILE CA C 169 2.843 2.843 2.963 -0.121 25225 710 1 . 1 1 169 169 ILE CB C 169 1.873 1.873 1.882 -0.009 25225 711 1 . 1 1 169 169 ILE H H 169 0.405 0.405 0.404 0.001 25225 712 1 . 1 1 170 170 PHE N N 170 6.275 6.275 6.380 -0.105 25225 713 1 . 1 1 170 170 PHE HA H 170 0.246 0.246 0.239 0.007 25225 714 1 . 1 1 170 170 PHE CA C 170 2.640 2.640 2.843 -0.203 25225 715 1 . 1 1 170 170 PHE CB C 170 1.939 1.939 2.103 -0.164 25225 716 1 . 1 1 170 170 PHE H H 170 0.462 0.462 0.451 0.011 25225 717 1 . 1 1 171 171 CYS N N 171 5.931 5.931 5.956 -0.025 25225 718 1 . 1 1 171 171 CYS HA H 171 0.268 0.268 0.274 -0.006 25225 719 1 . 1 1 171 171 CYS CA C 171 2.493 2.493 2.769 -0.276 25225 720 1 . 1 1 171 171 CYS CB C 171 2.119 2.119 1.473 0.645 25225 721 1 . 1 1 171 171 CYS H H 171 0.429 0.429 0.422 0.007 25225 722 1 . 1 1 172 172 CYS N N 172 5.913 5.913 5.785 0.128 25225 723 1 . 1 1 172 172 CYS HA H 172 0.223 0.223 0.236 -0.013 25225 724 1 . 1 1 172 172 CYS CA C 172 2.595 2.595 2.891 -0.296 25225 725 1 . 1 1 172 172 CYS CB C 172 2.057 2.057 1.465 0.592 25225 726 1 . 1 1 172 172 CYS H H 172 0.434 0.434 0.421 0.013 25225 727 1 . 1 1 173 173 PHE N N 173 5.971 5.971 5.981 -0.010 25225 728 1 . 1 1 173 173 PHE HA H 173 0.257 0.257 0.244 0.014 25225 729 1 . 1 1 173 173 PHE CA C 173 2.762 2.762 2.907 -0.145 25225 730 1 . 1 1 173 173 PHE CB C 173 1.872 1.872 1.976 -0.104 25225 731 1 . 1 1 173 173 PHE H H 173 0.441 0.441 0.433 0.007 25225 732 1 . 1 1 174 174 ARG N N 174 5.962 5.962 5.986 -0.024 25225 733 1 . 1 1 174 174 ARG HA H 174 0.239 0.239 0.232 0.007 25225 734 1 . 1 1 174 174 ARG CA C 174 2.557 2.557 2.733 -0.177 25225 735 1 . 1 1 174 174 ARG CB C 174 1.561 1.561 1.682 -0.120 25225 736 1 . 1 1 174 174 ARG H H 174 0.372 0.372 0.390 -0.018 25225 737 1 . 1 1 175 175 ASP N N 175 5.992 5.992 6.198 -0.206 25225 738 1 . 1 1 175 175 ASP HA H 175 0.242 0.242 0.243 -0.000 25225 739 1 . 1 1 175 175 ASP CA C 175 2.626 2.626 2.750 -0.124 25225 740 1 . 1 1 175 175 ASP CB C 175 1.927 1.927 2.031 -0.104 25225 741 1 . 1 1 175 175 ASP H H 175 0.414 0.414 0.431 -0.017 25225 742 1 . 1 1 176 176 LEU N N 176 5.722 5.722 5.920 -0.197 25225 743 1 . 1 1 176 176 LEU HA H 176 0.167 0.167 0.190 -0.022 25225 744 1 . 1 1 176 176 LEU CA C 176 2.607 2.607 2.757 -0.150 25225 745 1 . 1 1 176 176 LEU CB C 176 1.694 1.694 1.945 -0.251 25225 746 1 . 1 1 176 176 LEU H H 176 0.465 0.465 0.419 0.046 25225 747 1 . 1 1 177 177 CYS N N 177 5.605 5.605 5.780 -0.175 25225 748 1 . 1 1 177 177 CYS HA H 177 0.227 0.227 0.210 0.017 25225 749 1 . 1 1 177 177 CYS CA C 177 2.677 2.677 3.012 -0.336 25225 750 1 . 1 1 177 177 CYS CB C 177 2.079 2.079 1.357 0.723 25225 751 1 . 1 1 177 177 CYS H H 177 0.392 0.392 0.398 -0.007 25225 752 1 . 1 1 178 178 ASN N N 178 6.108 6.108 5.947 0.161 25225 753 1 . 1 1 178 178 ASN HA H 178 0.239 0.239 0.240 -0.001 25225 754 1 . 1 1 178 178 ASN CA C 178 2.478 2.478 2.617 -0.138 25225 755 1 . 1 1 178 178 ASN CB C 178 1.657 1.657 2.015 -0.358 25225 756 1 . 1 1 178 178 ASN H H 178 0.451 0.451 0.397 0.053 25225 757 1 . 1 1 179 179 SER N N 179 5.472 5.472 5.919 -0.447 25225 758 1 . 1 1 179 179 SER HA H 179 0.197 0.197 0.202 -0.005 25225 759 1 . 1 1 179 179 SER CA C 179 2.755 2.755 2.990 -0.235 25225 760 1 . 1 1 179 179 SER CB C 179 2.956 2.956 3.176 -0.221 25225 761 1 . 1 1 179 179 SER H H 179 0.374 0.374 0.430 -0.056 25225 762 1 . 1 1 180 180 GLU N N 180 6.002 6.002 6.054 -0.052 25225 763 1 . 1 1 180 180 GLU HA H 180 0.218 0.218 0.210 0.008 25225 764 1 . 1 1 180 180 GLU CA C 180 2.611 2.611 2.823 -0.211 25225 765 1 . 1 1 180 180 GLU CB C 180 1.422 1.422 1.508 -0.086 25225 766 1 . 1 1 180 180 GLU H H 180 0.397 0.397 0.401 -0.005 25225 stop_ save_