data_25957 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25957 _Entry.PDB_ID 2NB0 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 25957 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 119.884 119.884 120.389 -0.505 25957 2 1 1 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.681 0.012 25957 3 1 1 . 1 1 2 2 LYS H H 2 8.204 8.204 8.429 -0.225 25957 4 1 1 . 1 1 3 3 TYR N N 3 122.994 122.994 119.466 3.528 25957 5 1 1 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.656 0.184 25957 6 1 1 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.679 -6.565 25957 7 1 1 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.031 -5.038 25957 8 1 1 . 1 1 3 3 TYR H H 3 8.958 8.958 8.055 0.903 25957 9 1 1 . 1 1 4 4 THR N N 4 116.889 116.889 119.291 -2.402 25957 10 1 1 . 1 1 4 4 THR HA H 4 5.047 5.047 4.508 0.539 25957 11 1 1 . 1 1 4 4 THR CA C 4 56.171 56.171 62.719 -6.548 25957 12 1 1 . 1 1 4 4 THR CB C 4 65.090 65.090 69.076 -3.986 25957 13 1 1 . 1 1 4 4 THR H H 4 8.859 8.859 8.608 0.251 25957 14 1 1 . 1 1 5 5 GLY N N 5 115.377 115.377 111.466 3.911 25957 15 1 1 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.025 -4.573 25957 16 1 1 . 1 1 5 5 GLY H H 5 9.107 9.107 7.936 1.171 25957 17 1 1 . 1 1 6 6 LYS N N 6 121.194 121.194 117.191 4.003 25957 18 1 1 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.181 0.212 25957 19 1 1 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.663 -5.710 25957 20 1 1 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.686 -3.345 25957 21 1 1 . 1 1 6 6 LYS H H 6 8.391 8.391 7.835 0.556 25957 22 1 1 . 1 1 7 7 CYS N N 7 122.568 122.568 122.752 -0.184 25957 23 1 1 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.448 0.902 25957 24 1 1 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.498 -8.750 25957 25 1 1 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.820 10.143 25957 26 1 1 . 1 1 7 7 CYS H H 7 9.802 9.802 8.732 1.070 25957 27 1 1 . 1 1 8 8 THR N N 8 112.882 112.882 119.586 -6.704 25957 28 1 1 . 1 1 8 8 THR HA H 8 4.715 4.715 4.680 0.035 25957 29 1 1 . 1 1 8 8 THR CA C 8 54.652 54.652 60.138 -5.486 25957 30 1 1 . 1 1 8 8 THR CB C 8 65.734 65.734 70.554 -4.820 25957 31 1 1 . 1 1 8 8 THR H H 8 8.627 8.627 8.396 0.231 25957 32 1 1 . 1 1 9 9 LYS N N 9 127.151 127.151 129.054 -1.903 25957 33 1 1 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.072 -0.496 25957 34 1 1 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.528 -3.989 25957 35 1 1 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.477 -3.041 25957 36 1 1 . 1 1 9 9 LYS H H 9 8.919 8.919 8.962 -0.043 25957 37 1 1 . 1 1 10 10 SER N N 10 116.360 116.360 115.334 1.026 25957 38 1 1 . 1 1 10 10 SER HA H 10 4.695 4.695 4.297 0.398 25957 39 1 1 . 1 1 10 10 SER CB C 10 56.449 56.449 63.632 -7.183 25957 40 1 1 . 1 1 10 10 SER H H 10 9.376 9.376 7.794 1.582 25957 41 1 1 . 1 1 11 11 LYS N N 11 116.973 116.973 119.373 -2.400 25957 42 1 1 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.416 -0.234 25957 43 1 1 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.437 -4.777 25957 44 1 1 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.300 -5.352 25957 45 1 1 . 1 1 11 11 LYS H H 11 7.088 7.088 7.631 -0.543 25957 46 1 1 . 1 1 12 12 ASN N N 12 120.352 120.352 117.070 3.282 25957 47 1 1 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.384 0.211 25957 48 1 1 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.589 -6.338 25957 49 1 1 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.410 -5.535 25957 50 1 1 . 1 1 12 12 ASN H H 12 7.592 7.592 8.185 -0.593 25957 51 1 1 . 1 1 13 13 GLU N N 13 114.681 114.681 113.567 1.114 25957 52 1 1 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.141 -0.255 25957 53 1 1 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.567 -5.043 25957 54 1 1 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.766 -3.899 25957 55 1 1 . 1 1 13 13 GLU H H 13 7.234 7.234 7.679 -0.445 25957 56 1 1 . 1 1 14 14 CYS N N 14 123.347 123.347 119.753 3.594 25957 57 1 1 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.271 -0.624 25957 58 1 1 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.008 -8.531 25957 59 1 1 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.992 5.844 25957 60 1 1 . 1 1 14 14 CYS H H 14 9.649 9.649 8.832 0.817 25957 61 1 1 . 1 1 15 15 LYS N N 15 130.816 130.816 124.888 5.928 25957 62 1 1 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.612 -0.664 25957 63 1 1 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.870 -5.812 25957 64 1 1 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.312 -6.299 25957 65 1 1 . 1 1 15 15 LYS H H 15 8.650 8.650 8.707 -0.057 25957 66 1 1 . 1 1 16 16 TYR N N 16 126.576 126.576 120.495 6.081 25957 67 1 1 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.873 0.061 25957 68 1 1 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.535 -7.039 25957 69 1 1 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.916 -5.015 25957 70 1 1 . 1 1 16 16 TYR H H 16 8.995 8.995 7.987 1.008 25957 71 1 1 . 1 1 17 17 LYS N N 17 120.916 120.916 122.172 -1.256 25957 72 1 1 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.178 0.225 25957 73 1 1 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.395 -6.205 25957 74 1 1 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.177 -5.694 25957 75 1 1 . 1 1 17 17 LYS H H 17 8.399 8.399 8.811 -0.412 25957 76 1 1 . 1 1 18 18 ASN N N 18 122.206 122.206 122.834 -0.628 25957 77 1 1 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.396 -0.377 25957 78 1 1 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.811 -6.150 25957 79 1 1 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.663 -7.039 25957 80 1 1 . 1 1 18 18 ASN H H 18 7.735 7.735 8.187 -0.452 25957 81 1 1 . 1 1 19 19 SER N N 19 113.607 113.607 115.196 -1.589 25957 82 1 1 . 1 1 19 19 SER HA H 19 4.695 4.695 4.137 0.558 25957 83 1 1 . 1 1 19 19 SER CB C 19 57.917 57.917 63.148 -5.231 25957 84 1 1 . 1 1 19 19 SER H H 19 8.196 8.196 8.553 -0.357 25957 85 1 1 . 1 1 20 20 ALA N N 20 123.347 123.347 121.194 2.153 25957 86 1 1 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.157 0.306 25957 87 1 1 . 1 1 20 20 ALA CA C 20 46.211 46.211 52.906 -6.695 25957 88 1 1 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.756 -5.223 25957 89 1 1 . 1 1 20 20 ALA H H 20 7.409 7.409 7.970 -0.561 25957 90 1 1 . 1 1 21 21 GLY N N 21 107.557 107.557 104.956 2.601 25957 91 1 1 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.876 -4.728 25957 92 1 1 . 1 1 21 21 GLY H H 21 8.162 8.162 7.550 0.612 25957 93 1 1 . 1 1 22 22 LYS N N 22 120.341 120.341 122.893 -2.552 25957 94 1 1 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.325 0.002 25957 95 1 1 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.638 -6.608 25957 96 1 1 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.702 -5.224 25957 97 1 1 . 1 1 22 22 LYS H H 22 7.621 7.621 7.741 -0.120 25957 98 1 1 . 1 1 23 23 ASP N N 23 126.799 126.799 124.141 2.658 25957 99 1 1 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.374 -0.055 25957 100 1 1 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.380 -3.994 25957 101 1 1 . 1 1 23 23 ASP CB C 23 35.424 35.424 40.919 -5.495 25957 102 1 1 . 1 1 23 23 ASP H H 23 8.636 8.636 8.385 0.251 25957 103 1 1 . 1 1 24 24 THR N N 24 122.688 122.688 117.613 5.075 25957 104 1 1 . 1 1 24 24 THR HA H 24 4.045 4.045 4.636 -0.591 25957 105 1 1 . 1 1 24 24 THR CA C 24 56.539 56.539 60.666 -4.127 25957 106 1 1 . 1 1 24 24 THR CB C 24 65.315 65.315 70.039 -4.724 25957 107 1 1 . 1 1 24 24 THR H H 24 8.791 8.791 7.796 0.995 25957 108 1 1 . 1 1 25 25 PHE N N 25 122.187 122.187 125.320 -3.133 25957 109 1 1 . 1 1 25 25 PHE CA C 25 50.994 50.994 55.041 -4.047 25957 110 1 1 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.622 -5.031 25957 111 1 1 . 1 1 25 25 PHE H H 25 8.316 8.316 7.923 0.393 25957 112 1 1 . 1 1 26 26 ILE N N 26 123.106 123.106 123.959 -0.853 25957 113 1 1 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.581 0.045 25957 114 1 1 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.472 -6.086 25957 115 1 1 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.180 -5.324 25957 116 1 1 . 1 1 26 26 ILE H H 26 9.104 9.104 8.902 0.202 25957 117 1 1 . 1 1 27 27 LYS N N 27 127.012 127.012 125.945 1.067 25957 118 1 1 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.871 -0.654 25957 119 1 1 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.333 -2.782 25957 120 1 1 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.295 -6.352 25957 121 1 1 . 1 1 27 27 LYS H H 27 8.317 8.317 8.276 0.041 25957 122 1 1 . 1 1 28 28 CYS N N 28 119.357 119.357 122.428 -3.071 25957 123 1 1 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.962 -0.399 25957 124 1 1 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.925 -5.619 25957 125 1 1 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.964 7.870 25957 126 1 1 . 1 1 28 28 CYS H H 28 8.402 8.402 8.794 -0.392 25957 127 1 1 . 1 1 30 30 LYS N N 30 116.694 116.694 116.854 -0.160 25957 128 1 1 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.468 -0.493 25957 129 1 1 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.615 -4.726 25957 130 1 1 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.811 -5.330 25957 131 1 1 . 1 1 30 30 LYS H H 30 8.007 8.007 8.403 -0.396 25957 132 1 1 . 1 1 31 31 PHE N N 31 117.093 117.093 119.436 -2.343 25957 133 1 1 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.549 -0.047 25957 134 1 1 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.580 -6.145 25957 135 1 1 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.354 -6.373 25957 136 1 1 . 1 1 31 31 PHE H H 31 6.453 6.453 7.706 -1.253 25957 137 1 1 . 1 1 32 32 ASP N N 32 121.556 121.556 120.636 0.920 25957 138 1 1 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.406 -0.247 25957 139 1 1 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.192 -5.911 25957 140 1 1 . 1 1 32 32 ASP H H 32 8.788 8.788 7.783 1.005 25957 141 1 1 . 1 1 33 33 ASN N N 33 113.280 113.280 116.203 -2.923 25957 142 1 1 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.345 0.222 25957 143 1 1 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.791 -6.044 25957 144 1 1 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.114 -5.942 25957 145 1 1 . 1 1 33 33 ASN H H 33 8.446 8.446 8.671 -0.225 25957 146 1 1 . 1 1 34 34 LYS N N 34 117.362 117.362 116.619 0.743 25957 147 1 1 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.420 0.426 25957 148 1 1 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.731 -5.822 25957 149 1 1 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.883 -3.737 25957 150 1 1 . 1 1 34 34 LYS H H 34 7.652 7.652 7.543 0.109 25957 151 1 1 . 1 1 35 35 LYS N N 35 116.833 116.833 118.085 -1.252 25957 152 1 1 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.439 0.073 25957 153 1 1 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.437 -5.699 25957 154 1 1 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.983 -5.847 25957 155 1 1 . 1 1 35 35 LYS H H 35 6.918 6.918 7.648 -0.730 25957 156 1 1 . 1 1 36 36 CYS N N 36 117.631 117.631 121.593 -3.962 25957 157 1 1 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.720 -0.015 25957 158 1 1 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.382 7.699 25957 159 1 1 . 1 1 36 36 CYS H H 36 8.542 8.542 8.715 -0.173 25957 160 1 1 . 1 1 37 37 THR N N 37 122.048 122.048 119.882 2.166 25957 161 1 1 . 1 1 37 37 THR HA H 37 4.217 4.217 4.644 -0.427 25957 162 1 1 . 1 1 37 37 THR CA C 37 57.923 57.923 60.335 -2.412 25957 163 1 1 . 1 1 37 37 THR H H 37 10.132 10.132 8.148 1.984 25957 164 1 1 . 1 1 38 38 LYS N N 38 122.048 122.048 121.581 0.467 25957 165 1 1 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.091 0.065 25957 166 1 1 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.417 -6.168 25957 167 1 1 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.405 -3.533 25957 168 1 1 . 1 1 38 38 LYS H H 38 7.254 7.254 8.379 -1.125 25957 169 1 1 . 1 1 39 39 ASP N N 39 124.813 124.813 121.169 3.644 25957 170 1 1 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.461 0.125 25957 171 1 1 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.651 -7.633 25957 172 1 1 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.666 -5.913 25957 173 1 1 . 1 1 39 39 ASP H H 39 8.785 8.785 8.771 0.014 25957 174 1 1 . 1 1 40 40 ASN N N 40 114.848 114.848 116.275 -1.427 25957 175 1 1 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.602 -0.332 25957 176 1 1 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.244 -2.874 25957 177 1 1 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.270 -6.743 25957 178 1 1 . 1 1 40 40 ASN H H 40 9.453 9.453 8.376 1.077 25957 179 1 1 . 1 1 41 41 ASN N N 41 120.276 120.276 118.296 1.980 25957 180 1 1 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.490 0.207 25957 181 1 1 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.870 -5.169 25957 182 1 1 . 1 1 41 41 ASN H H 41 7.732 7.732 8.113 -0.381 25957 183 1 1 . 1 1 42 42 LYS N N 42 119.784 119.784 115.931 3.853 25957 184 1 1 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.460 -0.073 25957 185 1 1 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.077 -3.153 25957 186 1 1 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.081 -4.122 25957 187 1 1 . 1 1 42 42 LYS H H 42 8.513 8.513 8.271 0.242 25957 188 1 1 . 1 1 43 43 CYS N N 43 114.096 114.096 121.099 -7.003 25957 189 1 1 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.469 0.899 25957 190 1 1 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.771 -11.358 25957 191 1 1 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.209 17.360 25957 192 1 1 . 1 1 43 43 CYS H H 43 7.547 7.547 8.262 -0.715 25957 193 1 1 . 1 1 44 44 THR N N 44 113.240 113.240 121.926 -8.686 25957 194 1 1 . 1 1 44 44 THR HA H 44 5.245 5.245 4.441 0.804 25957 195 1 1 . 1 1 44 44 THR CA C 44 54.725 54.725 60.972 -6.247 25957 196 1 1 . 1 1 44 44 THR CB C 44 66.847 66.847 72.038 -5.191 25957 197 1 1 . 1 1 44 44 THR H H 44 9.020 9.020 8.131 0.889 25957 198 1 1 . 1 1 45 45 VAL N N 45 121.946 121.946 121.354 0.592 25957 199 1 1 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.200 0.308 25957 200 1 1 . 1 1 45 45 VAL CA C 45 55.407 55.407 59.915 -4.508 25957 201 1 1 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.416 -1.819 25957 202 1 1 . 1 1 45 45 VAL H H 45 8.583 8.583 7.938 0.645 25957 203 1 1 . 1 1 46 46 ASP N N 46 126.557 126.557 128.102 -1.545 25957 204 1 1 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.956 0.310 25957 205 1 1 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.708 -6.928 25957 206 1 1 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.639 -7.195 25957 207 1 1 . 1 1 46 46 ASP H H 46 8.574 8.574 8.202 0.372 25957 208 1 1 . 1 1 47 47 THR N N 47 114.542 114.542 109.258 5.284 25957 209 1 1 . 1 1 47 47 THR HA H 47 4.168 4.168 4.543 -0.375 25957 210 1 1 . 1 1 47 47 THR CA C 47 58.063 58.063 61.366 -3.303 25957 211 1 1 . 1 1 47 47 THR CB C 47 63.665 63.665 70.008 -6.343 25957 212 1 1 . 1 1 47 47 THR H H 47 9.049 9.049 8.091 0.958 25957 213 1 1 . 1 1 48 48 TYR N N 48 123.857 123.857 122.046 1.811 25957 214 1 1 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.427 -0.031 25957 215 1 1 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.606 -4.666 25957 216 1 1 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.767 -5.652 25957 217 1 1 . 1 1 48 48 TYR H H 48 8.829 8.829 7.853 0.976 25957 218 1 1 . 1 1 49 49 ASN N N 49 113.728 113.728 115.956 -2.228 25957 219 1 1 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.742 -0.247 25957 220 1 1 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.070 -6.475 25957 221 1 1 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.650 -5.510 25957 222 1 1 . 1 1 49 49 ASN H H 49 7.480 7.480 8.347 -0.867 25957 223 1 1 . 1 1 50 50 ASN N N 50 117.093 117.093 115.222 1.871 25957 224 1 1 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.417 -0.201 25957 225 1 1 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.824 -4.779 25957 226 1 1 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.517 -5.875 25957 227 1 1 . 1 1 50 50 ASN H H 50 7.916 7.916 7.945 -0.029 25957 228 1 1 . 1 1 51 51 ALA N N 51 121.083 121.083 120.392 0.691 25957 229 1 1 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.393 0.015 25957 230 1 1 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.198 -5.115 25957 231 1 1 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.874 -4.881 25957 232 1 1 . 1 1 51 51 ALA H H 51 7.796 7.796 7.518 0.278 25957 233 1 1 . 1 1 52 52 VAL N N 52 125.472 125.472 121.184 4.288 25957 234 1 1 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.122 0.795 25957 235 1 1 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.385 -6.096 25957 236 1 1 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.802 -3.055 25957 237 1 1 . 1 1 52 52 VAL H H 52 8.247 8.247 7.929 0.318 25957 238 1 1 . 1 1 53 53 ASP N N 53 125.852 125.852 122.573 3.279 25957 239 1 1 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.710 0.224 25957 240 1 1 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.293 -5.590 25957 241 1 1 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.136 -0.918 25957 242 1 1 . 1 1 53 53 ASP H H 53 8.613 8.613 8.300 0.313 25957 243 1 1 . 1 1 54 54 CYS N N 54 122.530 122.530 121.876 0.654 25957 244 1 1 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.620 0.106 25957 245 1 1 . 1 1 54 54 CYS CA C 54 50.854 50.854 59.015 -8.161 25957 246 1 1 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.893 10.261 25957 247 1 1 . 1 1 54 54 CYS H H 54 8.621 8.621 8.179 0.442 25957 248 1 2 . 1 1 2 2 LYS N N 2 119.884 119.884 121.190 -1.306 25957 249 1 2 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.642 0.051 25957 250 1 2 . 1 1 2 2 LYS H H 2 8.204 8.204 8.400 -0.196 25957 251 1 2 . 1 1 3 3 TYR N N 3 122.994 122.994 118.573 4.421 25957 252 1 2 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.660 0.180 25957 253 1 2 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.609 -6.495 25957 254 1 2 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.231 -5.239 25957 255 1 2 . 1 1 3 3 TYR H H 3 8.958 8.958 7.972 0.986 25957 256 1 2 . 1 1 4 4 THR N N 4 116.889 116.889 119.266 -2.377 25957 257 1 2 . 1 1 4 4 THR HA H 4 5.047 5.047 4.348 0.699 25957 258 1 2 . 1 1 4 4 THR CA C 4 56.171 56.171 62.280 -6.109 25957 259 1 2 . 1 1 4 4 THR CB C 4 65.090 65.090 68.921 -3.831 25957 260 1 2 . 1 1 4 4 THR H H 4 8.859 8.859 8.122 0.737 25957 261 1 2 . 1 1 5 5 GLY N N 5 115.377 115.377 112.137 3.240 25957 262 1 2 . 1 1 5 5 GLY CA C 5 39.452 39.452 43.684 -4.232 25957 263 1 2 . 1 1 5 5 GLY H H 5 9.107 9.107 7.835 1.272 25957 264 1 2 . 1 1 6 6 LYS N N 6 121.194 121.194 116.914 4.280 25957 265 1 2 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.143 0.250 25957 266 1 2 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.697 -5.744 25957 267 1 2 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.513 -3.171 25957 268 1 2 . 1 1 6 6 LYS H H 6 8.391 8.391 7.945 0.446 25957 269 1 2 . 1 1 7 7 CYS N N 7 122.568 122.568 123.034 -0.466 25957 270 1 2 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.426 0.924 25957 271 1 2 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.584 -8.836 25957 272 1 2 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.404 9.559 25957 273 1 2 . 1 1 7 7 CYS H H 7 9.802 9.802 8.729 1.073 25957 274 1 2 . 1 1 8 8 THR N N 8 112.882 112.882 119.319 -6.437 25957 275 1 2 . 1 1 8 8 THR HA H 8 4.715 4.715 4.629 0.086 25957 276 1 2 . 1 1 8 8 THR CA C 8 54.652 54.652 60.909 -6.257 25957 277 1 2 . 1 1 8 8 THR CB C 8 65.734 65.734 70.298 -4.564 25957 278 1 2 . 1 1 8 8 THR H H 8 8.627 8.627 8.441 0.186 25957 279 1 2 . 1 1 9 9 LYS N N 9 127.151 127.151 129.154 -2.003 25957 280 1 2 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.102 -0.526 25957 281 1 2 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.638 -4.098 25957 282 1 2 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.802 -3.366 25957 283 1 2 . 1 1 9 9 LYS H H 9 8.919 8.919 8.906 0.013 25957 284 1 2 . 1 1 10 10 SER N N 10 116.360 116.360 113.039 3.321 25957 285 1 2 . 1 1 10 10 SER HA H 10 4.695 4.695 4.365 0.330 25957 286 1 2 . 1 1 10 10 SER CB C 10 56.449 56.449 63.475 -7.026 25957 287 1 2 . 1 1 10 10 SER H H 10 9.376 9.376 7.610 1.766 25957 288 1 2 . 1 1 11 11 LYS N N 11 116.973 116.973 117.996 -1.023 25957 289 1 2 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.492 -0.310 25957 290 1 2 . 1 1 11 11 LYS CA C 11 50.660 50.660 54.673 -4.013 25957 291 1 2 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.462 -5.514 25957 292 1 2 . 1 1 11 11 LYS H H 11 7.088 7.088 7.674 -0.586 25957 293 1 2 . 1 1 12 12 ASN N N 12 120.352 120.352 117.712 2.640 25957 294 1 2 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.371 0.224 25957 295 1 2 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.660 -6.410 25957 296 1 2 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.444 -5.569 25957 297 1 2 . 1 1 12 12 ASN H H 12 7.592 7.592 8.220 -0.628 25957 298 1 2 . 1 1 13 13 GLU N N 13 114.681 114.681 113.630 1.051 25957 299 1 2 . 1 1 13 13 GLU HA H 13 4.886 4.886 4.987 -0.101 25957 300 1 2 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.399 -4.875 25957 301 1 2 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.040 -4.173 25957 302 1 2 . 1 1 13 13 GLU H H 13 7.234 7.234 7.671 -0.437 25957 303 1 2 . 1 1 14 14 CYS N N 14 123.347 123.347 119.977 3.370 25957 304 1 2 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.202 -0.555 25957 305 1 2 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.294 -8.817 25957 306 1 2 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.037 6.799 25957 307 1 2 . 1 1 14 14 CYS H H 14 9.649 9.649 8.543 1.106 25957 308 1 2 . 1 1 15 15 LYS N N 15 130.816 130.816 126.949 3.867 25957 309 1 2 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.477 -0.529 25957 310 1 2 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.940 -5.882 25957 311 1 2 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.352 -6.339 25957 312 1 2 . 1 1 15 15 LYS H H 15 8.650 8.650 8.664 -0.014 25957 313 1 2 . 1 1 16 16 TYR N N 16 126.576 126.576 124.150 2.426 25957 314 1 2 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.689 0.245 25957 315 1 2 . 1 1 16 16 TYR CA C 16 49.496 49.496 57.707 -8.211 25957 316 1 2 . 1 1 16 16 TYR CB C 16 35.901 35.901 42.449 -6.548 25957 317 1 2 . 1 1 16 16 TYR H H 16 8.995 8.995 8.165 0.830 25957 318 1 2 . 1 1 17 17 LYS N N 17 120.916 120.916 123.999 -3.083 25957 319 1 2 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.241 0.162 25957 320 1 2 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.585 -6.395 25957 321 1 2 . 1 1 17 17 LYS CB C 17 27.483 27.483 32.741 -5.258 25957 322 1 2 . 1 1 17 17 LYS H H 17 8.399 8.399 7.716 0.683 25957 323 1 2 . 1 1 18 18 ASN N N 18 122.206 122.206 123.278 -1.072 25957 324 1 2 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.740 -0.721 25957 325 1 2 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.990 -6.329 25957 326 1 2 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.575 -6.951 25957 327 1 2 . 1 1 18 18 ASN H H 18 7.735 7.735 8.402 -0.667 25957 328 1 2 . 1 1 19 19 SER N N 19 113.607 113.607 115.078 -1.471 25957 329 1 2 . 1 1 19 19 SER HA H 19 4.695 4.695 4.088 0.607 25957 330 1 2 . 1 1 19 19 SER CB C 19 57.917 57.917 63.121 -5.204 25957 331 1 2 . 1 1 19 19 SER H H 19 8.196 8.196 8.616 -0.420 25957 332 1 2 . 1 1 20 20 ALA N N 20 123.347 123.347 121.118 2.229 25957 333 1 2 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.127 0.336 25957 334 1 2 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.145 -6.934 25957 335 1 2 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.713 -5.180 25957 336 1 2 . 1 1 20 20 ALA H H 20 7.409 7.409 7.999 -0.590 25957 337 1 2 . 1 1 21 21 GLY N N 21 107.557 107.557 105.242 2.315 25957 338 1 2 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.107 -4.959 25957 339 1 2 . 1 1 21 21 GLY H H 21 8.162 8.162 7.741 0.421 25957 340 1 2 . 1 1 22 22 LYS N N 22 120.341 120.341 122.329 -1.988 25957 341 1 2 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.423 -0.096 25957 342 1 2 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.508 -6.478 25957 343 1 2 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.895 -5.417 25957 344 1 2 . 1 1 22 22 LYS H H 22 7.621 7.621 7.824 -0.203 25957 345 1 2 . 1 1 23 23 ASP N N 23 126.799 126.799 125.068 1.731 25957 346 1 2 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.498 -0.179 25957 347 1 2 . 1 1 23 23 ASP CA C 23 50.387 50.387 55.066 -4.679 25957 348 1 2 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.173 -5.749 25957 349 1 2 . 1 1 23 23 ASP H H 23 8.636 8.636 8.515 0.121 25957 350 1 2 . 1 1 24 24 THR N N 24 122.688 122.688 118.521 4.167 25957 351 1 2 . 1 1 24 24 THR HA H 24 4.045 4.045 4.817 -0.772 25957 352 1 2 . 1 1 24 24 THR CA C 24 56.539 56.539 60.962 -4.423 25957 353 1 2 . 1 1 24 24 THR CB C 24 65.315 65.315 69.916 -4.601 25957 354 1 2 . 1 1 24 24 THR H H 24 8.791 8.791 8.086 0.705 25957 355 1 2 . 1 1 25 25 PHE N N 25 122.187 122.187 126.186 -3.999 25957 356 1 2 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.564 -3.570 25957 357 1 2 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.769 -5.178 25957 358 1 2 . 1 1 25 25 PHE H H 25 8.316 8.316 8.432 -0.116 25957 359 1 2 . 1 1 26 26 ILE N N 26 123.106 123.106 123.775 -0.669 25957 360 1 2 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.328 0.298 25957 361 1 2 . 1 1 26 26 ILE CA C 26 54.386 54.386 61.078 -6.692 25957 362 1 2 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.719 -4.863 25957 363 1 2 . 1 1 26 26 ILE H H 26 9.104 9.104 8.529 0.575 25957 364 1 2 . 1 1 27 27 LYS N N 27 127.012 127.012 126.860 0.152 25957 365 1 2 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.598 -0.381 25957 366 1 2 . 1 1 27 27 LYS CA C 27 52.551 52.551 56.831 -4.280 25957 367 1 2 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.096 -6.153 25957 368 1 2 . 1 1 27 27 LYS H H 27 8.317 8.317 8.296 0.021 25957 369 1 2 . 1 1 28 28 CYS N N 28 119.357 119.357 123.590 -4.233 25957 370 1 2 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.938 -0.375 25957 371 1 2 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.513 -5.206 25957 372 1 2 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.112 7.722 25957 373 1 2 . 1 1 28 28 CYS H H 28 8.402 8.402 8.618 -0.216 25957 374 1 2 . 1 1 30 30 LYS N N 30 116.694 116.694 116.762 -0.068 25957 375 1 2 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.470 -0.495 25957 376 1 2 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.565 -4.676 25957 377 1 2 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.702 -5.221 25957 378 1 2 . 1 1 30 30 LYS H H 30 8.007 8.007 8.465 -0.458 25957 379 1 2 . 1 1 31 31 PHE N N 31 117.093 117.093 119.488 -2.395 25957 380 1 2 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.534 -0.032 25957 381 1 2 . 1 1 31 31 PHE CA C 31 51.435 51.435 56.347 -4.912 25957 382 1 2 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.069 -6.088 25957 383 1 2 . 1 1 31 31 PHE H H 31 6.453 6.453 7.729 -1.276 25957 384 1 2 . 1 1 32 32 ASP N N 32 121.556 121.556 119.495 2.061 25957 385 1 2 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.282 -0.123 25957 386 1 2 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.989 -5.708 25957 387 1 2 . 1 1 32 32 ASP H H 32 8.788 8.788 7.617 1.171 25957 388 1 2 . 1 1 33 33 ASN N N 33 113.280 113.280 115.808 -2.528 25957 389 1 2 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.225 0.342 25957 390 1 2 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.639 -5.892 25957 391 1 2 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.053 -5.881 25957 392 1 2 . 1 1 33 33 ASN H H 33 8.446 8.446 8.637 -0.191 25957 393 1 2 . 1 1 34 34 LYS N N 34 117.362 117.362 116.595 0.767 25957 394 1 2 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.414 0.432 25957 395 1 2 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.730 -5.821 25957 396 1 2 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.905 -3.759 25957 397 1 2 . 1 1 34 34 LYS H H 34 7.652 7.652 7.527 0.125 25957 398 1 2 . 1 1 35 35 LYS N N 35 116.833 116.833 117.979 -1.146 25957 399 1 2 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.443 0.069 25957 400 1 2 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.361 -5.623 25957 401 1 2 . 1 1 35 35 LYS CB C 35 28.136 28.136 34.052 -5.916 25957 402 1 2 . 1 1 35 35 LYS H H 35 6.918 6.918 7.644 -0.726 25957 403 1 2 . 1 1 36 36 CYS N N 36 117.631 117.631 121.325 -3.694 25957 404 1 2 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.735 -0.030 25957 405 1 2 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.612 7.469 25957 406 1 2 . 1 1 36 36 CYS H H 36 8.542 8.542 8.665 -0.123 25957 407 1 2 . 1 1 37 37 THR N N 37 122.048 122.048 119.652 2.396 25957 408 1 2 . 1 1 37 37 THR HA H 37 4.217 4.217 4.646 -0.429 25957 409 1 2 . 1 1 37 37 THR CA C 37 57.923 57.923 60.109 -2.186 25957 410 1 2 . 1 1 37 37 THR H H 37 10.132 10.132 8.120 2.012 25957 411 1 2 . 1 1 38 38 LYS N N 38 122.048 122.048 121.161 0.887 25957 412 1 2 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.078 0.078 25957 413 1 2 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.539 -6.290 25957 414 1 2 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.544 -3.672 25957 415 1 2 . 1 1 38 38 LYS H H 38 7.254 7.254 8.247 -0.993 25957 416 1 2 . 1 1 39 39 ASP N N 39 124.813 124.813 121.016 3.797 25957 417 1 2 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.435 0.151 25957 418 1 2 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.565 -7.547 25957 419 1 2 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.778 -6.025 25957 420 1 2 . 1 1 39 39 ASP H H 39 8.785 8.785 8.683 0.102 25957 421 1 2 . 1 1 40 40 ASN N N 40 114.848 114.848 115.783 -0.935 25957 422 1 2 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.569 -0.299 25957 423 1 2 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.523 -3.153 25957 424 1 2 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.462 -6.935 25957 425 1 2 . 1 1 40 40 ASN H H 40 9.453 9.453 8.367 1.086 25957 426 1 2 . 1 1 41 41 ASN N N 41 120.276 120.276 118.638 1.638 25957 427 1 2 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.500 0.197 25957 428 1 2 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.946 -5.245 25957 429 1 2 . 1 1 41 41 ASN H H 41 7.732 7.732 8.105 -0.373 25957 430 1 2 . 1 1 42 42 LYS N N 42 119.784 119.784 116.072 3.712 25957 431 1 2 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.400 -0.013 25957 432 1 2 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.507 -3.583 25957 433 1 2 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.862 -4.903 25957 434 1 2 . 1 1 42 42 LYS H H 42 8.513 8.513 8.221 0.292 25957 435 1 2 . 1 1 43 43 CYS N N 43 114.096 114.096 121.009 -6.913 25957 436 1 2 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.516 0.852 25957 437 1 2 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.866 -11.453 25957 438 1 2 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.221 17.348 25957 439 1 2 . 1 1 43 43 CYS H H 43 7.547 7.547 8.271 -0.724 25957 440 1 2 . 1 1 44 44 THR N N 44 113.240 113.240 122.152 -8.912 25957 441 1 2 . 1 1 44 44 THR HA H 44 5.245 5.245 4.499 0.746 25957 442 1 2 . 1 1 44 44 THR CA C 44 54.725 54.725 60.602 -5.877 25957 443 1 2 . 1 1 44 44 THR CB C 44 66.847 66.847 71.572 -4.725 25957 444 1 2 . 1 1 44 44 THR H H 44 9.020 9.020 8.196 0.824 25957 445 1 2 . 1 1 45 45 VAL N N 45 121.946 121.946 121.434 0.512 25957 446 1 2 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.396 0.112 25957 447 1 2 . 1 1 45 45 VAL CA C 45 55.407 55.407 61.312 -5.905 25957 448 1 2 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.675 -2.077 25957 449 1 2 . 1 1 45 45 VAL H H 45 8.583 8.583 7.973 0.610 25957 450 1 2 . 1 1 46 46 ASP N N 46 126.557 126.557 128.966 -2.409 25957 451 1 2 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.857 0.409 25957 452 1 2 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.799 -7.019 25957 453 1 2 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.519 -7.075 25957 454 1 2 . 1 1 46 46 ASP H H 46 8.574 8.574 8.371 0.203 25957 455 1 2 . 1 1 47 47 THR N N 47 114.542 114.542 113.234 1.308 25957 456 1 2 . 1 1 47 47 THR HA H 47 4.168 4.168 4.483 -0.315 25957 457 1 2 . 1 1 47 47 THR CA C 47 58.063 58.063 61.461 -3.398 25957 458 1 2 . 1 1 47 47 THR CB C 47 63.665 63.665 69.731 -6.066 25957 459 1 2 . 1 1 47 47 THR H H 47 9.049 9.049 8.143 0.906 25957 460 1 2 . 1 1 48 48 TYR N N 48 123.857 123.857 122.034 1.823 25957 461 1 2 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.474 -0.078 25957 462 1 2 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.833 -4.893 25957 463 1 2 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.409 -5.294 25957 464 1 2 . 1 1 48 48 TYR H H 48 8.829 8.829 7.982 0.847 25957 465 1 2 . 1 1 49 49 ASN N N 49 113.728 113.728 116.210 -2.482 25957 466 1 2 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.734 -0.239 25957 467 1 2 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.019 -6.424 25957 468 1 2 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.654 -5.514 25957 469 1 2 . 1 1 49 49 ASN H H 49 7.480 7.480 8.362 -0.882 25957 470 1 2 . 1 1 50 50 ASN N N 50 117.093 117.093 115.794 1.299 25957 471 1 2 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.406 -0.190 25957 472 1 2 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.768 -4.723 25957 473 1 2 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.490 -5.848 25957 474 1 2 . 1 1 50 50 ASN H H 50 7.916 7.916 7.978 -0.062 25957 475 1 2 . 1 1 51 51 ALA N N 51 121.083 121.083 120.361 0.722 25957 476 1 2 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.446 -0.038 25957 477 1 2 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.074 -4.991 25957 478 1 2 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.978 -4.985 25957 479 1 2 . 1 1 51 51 ALA H H 51 7.796 7.796 7.488 0.308 25957 480 1 2 . 1 1 52 52 VAL N N 52 125.472 125.472 117.705 7.767 25957 481 1 2 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.287 0.630 25957 482 1 2 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.033 -5.744 25957 483 1 2 . 1 1 52 52 VAL CB C 52 29.747 29.747 33.442 -3.695 25957 484 1 2 . 1 1 52 52 VAL H H 52 8.247 8.247 7.792 0.455 25957 485 1 2 . 1 1 53 53 ASP N N 53 125.852 125.852 121.963 3.889 25957 486 1 2 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.779 0.155 25957 487 1 2 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.239 -5.536 25957 488 1 2 . 1 1 53 53 ASP CB C 53 38.218 38.218 38.914 -0.696 25957 489 1 2 . 1 1 53 53 ASP H H 53 8.613 8.613 8.249 0.364 25957 490 1 2 . 1 1 54 54 CYS N N 54 122.530 122.530 121.772 0.758 25957 491 1 2 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.622 0.104 25957 492 1 2 . 1 1 54 54 CYS CA C 54 50.854 50.854 59.045 -8.191 25957 493 1 2 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.878 10.276 25957 494 1 2 . 1 1 54 54 CYS H H 54 8.621 8.621 8.183 0.438 25957 495 1 3 . 1 1 2 2 LYS N N 2 119.884 119.884 120.864 -0.980 25957 496 1 3 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.614 0.079 25957 497 1 3 . 1 1 2 2 LYS H H 2 8.204 8.204 8.717 -0.513 25957 498 1 3 . 1 1 3 3 TYR N N 3 122.994 122.994 120.120 2.874 25957 499 1 3 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.800 0.040 25957 500 1 3 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.211 -6.097 25957 501 1 3 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.043 -5.050 25957 502 1 3 . 1 1 3 3 TYR H H 3 8.958 8.958 8.209 0.749 25957 503 1 3 . 1 1 4 4 THR N N 4 116.889 116.889 118.923 -2.034 25957 504 1 3 . 1 1 4 4 THR HA H 4 5.047 5.047 4.491 0.556 25957 505 1 3 . 1 1 4 4 THR CA C 4 56.171 56.171 62.724 -6.553 25957 506 1 3 . 1 1 4 4 THR CB C 4 65.090 65.090 69.037 -3.947 25957 507 1 3 . 1 1 4 4 THR H H 4 8.859 8.859 8.104 0.755 25957 508 1 3 . 1 1 5 5 GLY N N 5 115.377 115.377 112.151 3.226 25957 509 1 3 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.342 -4.890 25957 510 1 3 . 1 1 5 5 GLY H H 5 9.107 9.107 7.958 1.149 25957 511 1 3 . 1 1 6 6 LYS N N 6 121.194 121.194 117.161 4.033 25957 512 1 3 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.115 0.278 25957 513 1 3 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.386 -5.433 25957 514 1 3 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.664 -3.323 25957 515 1 3 . 1 1 6 6 LYS H H 6 8.391 8.391 7.925 0.466 25957 516 1 3 . 1 1 7 7 CYS N N 7 122.568 122.568 122.636 -0.068 25957 517 1 3 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.406 0.944 25957 518 1 3 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.781 -9.033 25957 519 1 3 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.839 10.124 25957 520 1 3 . 1 1 7 7 CYS H H 7 9.802 9.802 8.783 1.019 25957 521 1 3 . 1 1 8 8 THR N N 8 112.882 112.882 119.317 -6.435 25957 522 1 3 . 1 1 8 8 THR HA H 8 4.715 4.715 4.609 0.106 25957 523 1 3 . 1 1 8 8 THR CA C 8 54.652 54.652 60.426 -5.774 25957 524 1 3 . 1 1 8 8 THR CB C 8 65.734 65.734 70.368 -4.633 25957 525 1 3 . 1 1 8 8 THR H H 8 8.627 8.627 8.491 0.136 25957 526 1 3 . 1 1 9 9 LYS N N 9 127.151 127.151 129.575 -2.424 25957 527 1 3 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.084 -0.508 25957 528 1 3 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.489 -3.950 25957 529 1 3 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.261 -3.825 25957 530 1 3 . 1 1 9 9 LYS H H 9 8.919 8.919 9.033 -0.114 25957 531 1 3 . 1 1 10 10 SER N N 10 116.360 116.360 114.853 1.507 25957 532 1 3 . 1 1 10 10 SER HA H 10 4.695 4.695 4.300 0.395 25957 533 1 3 . 1 1 10 10 SER CB C 10 56.449 56.449 63.281 -6.832 25957 534 1 3 . 1 1 10 10 SER H H 10 9.376 9.376 7.761 1.615 25957 535 1 3 . 1 1 11 11 LYS N N 11 116.973 116.973 118.798 -1.825 25957 536 1 3 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.492 -0.310 25957 537 1 3 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.392 -4.731 25957 538 1 3 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.536 -5.588 25957 539 1 3 . 1 1 11 11 LYS H H 11 7.088 7.088 7.637 -0.549 25957 540 1 3 . 1 1 12 12 ASN N N 12 120.352 120.352 116.696 3.656 25957 541 1 3 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.414 0.181 25957 542 1 3 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.654 -6.403 25957 543 1 3 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.431 -5.556 25957 544 1 3 . 1 1 12 12 ASN H H 12 7.592 7.592 8.393 -0.801 25957 545 1 3 . 1 1 13 13 GLU N N 13 114.681 114.681 113.890 0.791 25957 546 1 3 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.157 -0.271 25957 547 1 3 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.220 -4.696 25957 548 1 3 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.051 -4.184 25957 549 1 3 . 1 1 13 13 GLU H H 13 7.234 7.234 7.640 -0.406 25957 550 1 3 . 1 1 14 14 CYS N N 14 123.347 123.347 118.726 4.621 25957 551 1 3 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.215 -0.568 25957 552 1 3 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.273 -8.796 25957 553 1 3 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.928 5.908 25957 554 1 3 . 1 1 14 14 CYS H H 14 9.649 9.649 8.514 1.135 25957 555 1 3 . 1 1 15 15 LYS N N 15 130.816 130.816 122.206 8.610 25957 556 1 3 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.703 -0.755 25957 557 1 3 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.839 -5.781 25957 558 1 3 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.898 -6.885 25957 559 1 3 . 1 1 15 15 LYS H H 15 8.650 8.650 8.288 0.362 25957 560 1 3 . 1 1 16 16 TYR N N 16 126.576 126.576 119.796 6.780 25957 561 1 3 . 1 1 16 16 TYR HA H 16 4.934 4.934 5.010 -0.076 25957 562 1 3 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.067 -6.571 25957 563 1 3 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.699 -5.798 25957 564 1 3 . 1 1 16 16 TYR H H 16 8.995 8.995 7.940 1.055 25957 565 1 3 . 1 1 17 17 LYS N N 17 120.916 120.916 122.301 -1.385 25957 566 1 3 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.243 0.160 25957 567 1 3 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.505 -6.315 25957 568 1 3 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.065 -5.582 25957 569 1 3 . 1 1 17 17 LYS H H 17 8.399 8.399 8.898 -0.499 25957 570 1 3 . 1 1 18 18 ASN N N 18 122.206 122.206 123.244 -1.038 25957 571 1 3 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.823 -0.804 25957 572 1 3 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.790 -6.129 25957 573 1 3 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.527 -6.903 25957 574 1 3 . 1 1 18 18 ASN H H 18 7.735 7.735 8.241 -0.506 25957 575 1 3 . 1 1 19 19 SER N N 19 113.607 113.607 116.046 -2.439 25957 576 1 3 . 1 1 19 19 SER HA H 19 4.695 4.695 4.224 0.471 25957 577 1 3 . 1 1 19 19 SER CB C 19 57.917 57.917 63.004 -5.087 25957 578 1 3 . 1 1 19 19 SER H H 19 8.196 8.196 8.652 -0.456 25957 579 1 3 . 1 1 20 20 ALA N N 20 123.347 123.347 120.877 2.470 25957 580 1 3 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.195 0.268 25957 581 1 3 . 1 1 20 20 ALA CA C 20 46.211 46.211 52.913 -6.702 25957 582 1 3 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.637 -5.104 25957 583 1 3 . 1 1 20 20 ALA H H 20 7.409 7.409 7.962 -0.553 25957 584 1 3 . 1 1 21 21 GLY N N 21 107.557 107.557 105.356 2.201 25957 585 1 3 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.088 -4.940 25957 586 1 3 . 1 1 21 21 GLY H H 21 8.162 8.162 7.643 0.519 25957 587 1 3 . 1 1 22 22 LYS N N 22 120.341 120.341 122.851 -2.510 25957 588 1 3 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.302 0.025 25957 589 1 3 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.684 -6.654 25957 590 1 3 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.574 -5.096 25957 591 1 3 . 1 1 22 22 LYS H H 22 7.621 7.621 7.824 -0.203 25957 592 1 3 . 1 1 23 23 ASP N N 23 126.799 126.799 124.965 1.834 25957 593 1 3 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.397 -0.078 25957 594 1 3 . 1 1 23 23 ASP CA C 23 50.387 50.387 55.554 -5.167 25957 595 1 3 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.206 -5.782 25957 596 1 3 . 1 1 23 23 ASP H H 23 8.636 8.636 8.563 0.073 25957 597 1 3 . 1 1 24 24 THR N N 24 122.688 122.688 118.044 4.644 25957 598 1 3 . 1 1 24 24 THR HA H 24 4.045 4.045 4.639 -0.594 25957 599 1 3 . 1 1 24 24 THR CA C 24 56.539 56.539 60.507 -3.968 25957 600 1 3 . 1 1 24 24 THR CB C 24 65.315 65.315 70.089 -4.774 25957 601 1 3 . 1 1 24 24 THR H H 24 8.791 8.791 7.873 0.918 25957 602 1 3 . 1 1 25 25 PHE N N 25 122.187 122.187 127.269 -5.082 25957 603 1 3 . 1 1 25 25 PHE CA C 25 50.994 50.994 55.048 -4.054 25957 604 1 3 . 1 1 25 25 PHE CB C 25 36.591 36.591 40.664 -4.074 25957 605 1 3 . 1 1 25 25 PHE H H 25 8.316 8.316 8.114 0.202 25957 606 1 3 . 1 1 26 26 ILE N N 26 123.106 123.106 125.306 -2.200 25957 607 1 3 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.503 0.123 25957 608 1 3 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.202 -5.816 25957 609 1 3 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.037 -5.181 25957 610 1 3 . 1 1 26 26 ILE H H 26 9.104 9.104 8.404 0.700 25957 611 1 3 . 1 1 27 27 LYS N N 27 127.012 127.012 126.416 0.596 25957 612 1 3 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.750 -0.533 25957 613 1 3 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.472 -2.921 25957 614 1 3 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.081 -6.138 25957 615 1 3 . 1 1 27 27 LYS H H 27 8.317 8.317 8.292 0.025 25957 616 1 3 . 1 1 28 28 CYS N N 28 119.357 119.357 122.973 -3.616 25957 617 1 3 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.949 -0.386 25957 618 1 3 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.956 -5.649 25957 619 1 3 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.858 7.976 25957 620 1 3 . 1 1 28 28 CYS H H 28 8.402 8.402 8.801 -0.399 25957 621 1 3 . 1 1 30 30 LYS N N 30 116.694 116.694 116.793 -0.099 25957 622 1 3 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.445 -0.470 25957 623 1 3 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.618 -4.729 25957 624 1 3 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.764 -5.284 25957 625 1 3 . 1 1 30 30 LYS H H 30 8.007 8.007 8.416 -0.409 25957 626 1 3 . 1 1 31 31 PHE N N 31 117.093 117.093 119.601 -2.508 25957 627 1 3 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.575 -0.073 25957 628 1 3 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.008 -5.574 25957 629 1 3 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.696 -5.715 25957 630 1 3 . 1 1 31 31 PHE H H 31 6.453 6.453 7.709 -1.256 25957 631 1 3 . 1 1 32 32 ASP N N 32 121.556 121.556 121.232 0.324 25957 632 1 3 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.358 -0.199 25957 633 1 3 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.954 -5.673 25957 634 1 3 . 1 1 32 32 ASP H H 32 8.788 8.788 7.803 0.985 25957 635 1 3 . 1 1 33 33 ASN N N 33 113.280 113.280 116.660 -3.380 25957 636 1 3 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.239 0.328 25957 637 1 3 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.797 -6.050 25957 638 1 3 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.138 -5.966 25957 639 1 3 . 1 1 33 33 ASN H H 33 8.446 8.446 8.759 -0.313 25957 640 1 3 . 1 1 34 34 LYS N N 34 117.362 117.362 116.616 0.746 25957 641 1 3 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.420 0.426 25957 642 1 3 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.710 -5.801 25957 643 1 3 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.903 -3.757 25957 644 1 3 . 1 1 34 34 LYS H H 34 7.652 7.652 7.565 0.087 25957 645 1 3 . 1 1 35 35 LYS N N 35 116.833 116.833 118.313 -1.480 25957 646 1 3 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.430 0.082 25957 647 1 3 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.646 -5.908 25957 648 1 3 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.839 -5.703 25957 649 1 3 . 1 1 35 35 LYS H H 35 6.918 6.918 7.633 -0.715 25957 650 1 3 . 1 1 36 36 CYS N N 36 117.631 117.631 122.325 -4.694 25957 651 1 3 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.850 -0.145 25957 652 1 3 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.627 7.454 25957 653 1 3 . 1 1 36 36 CYS H H 36 8.542 8.542 8.678 -0.136 25957 654 1 3 . 1 1 37 37 THR N N 37 122.048 122.048 119.557 2.491 25957 655 1 3 . 1 1 37 37 THR HA H 37 4.217 4.217 4.612 -0.395 25957 656 1 3 . 1 1 37 37 THR CA C 37 57.923 57.923 59.650 -1.726 25957 657 1 3 . 1 1 37 37 THR H H 37 10.132 10.132 8.217 1.915 25957 658 1 3 . 1 1 38 38 LYS N N 38 122.048 122.048 121.368 0.680 25957 659 1 3 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.087 0.069 25957 660 1 3 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.542 -6.293 25957 661 1 3 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.485 -3.613 25957 662 1 3 . 1 1 38 38 LYS H H 38 7.254 7.254 8.357 -1.103 25957 663 1 3 . 1 1 39 39 ASP N N 39 124.813 124.813 121.928 2.885 25957 664 1 3 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.433 0.153 25957 665 1 3 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.718 -7.700 25957 666 1 3 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.637 -5.884 25957 667 1 3 . 1 1 39 39 ASP H H 39 8.785 8.785 8.719 0.066 25957 668 1 3 . 1 1 40 40 ASN N N 40 114.848 114.848 116.583 -1.735 25957 669 1 3 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.607 -0.337 25957 670 1 3 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.638 -3.268 25957 671 1 3 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.321 -6.794 25957 672 1 3 . 1 1 40 40 ASN H H 40 9.453 9.453 8.314 1.139 25957 673 1 3 . 1 1 41 41 ASN N N 41 120.276 120.276 118.657 1.619 25957 674 1 3 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.514 0.183 25957 675 1 3 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.065 -5.364 25957 676 1 3 . 1 1 41 41 ASN H H 41 7.732 7.732 7.427 0.305 25957 677 1 3 . 1 1 42 42 LYS N N 42 119.784 119.784 115.145 4.639 25957 678 1 3 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.442 -0.055 25957 679 1 3 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.631 -3.707 25957 680 1 3 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.387 -5.428 25957 681 1 3 . 1 1 42 42 LYS H H 42 8.513 8.513 8.254 0.259 25957 682 1 3 . 1 1 43 43 CYS N N 43 114.096 114.096 120.322 -6.226 25957 683 1 3 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.484 0.884 25957 684 1 3 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.613 -11.200 25957 685 1 3 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.483 17.085 25957 686 1 3 . 1 1 43 43 CYS H H 43 7.547 7.547 8.206 -0.659 25957 687 1 3 . 1 1 44 44 THR N N 44 113.240 113.240 121.377 -8.137 25957 688 1 3 . 1 1 44 44 THR HA H 44 5.245 5.245 4.518 0.727 25957 689 1 3 . 1 1 44 44 THR CA C 44 54.725 54.725 61.038 -6.314 25957 690 1 3 . 1 1 44 44 THR CB C 44 66.847 66.847 71.981 -5.134 25957 691 1 3 . 1 1 44 44 THR H H 44 9.020 9.020 8.091 0.929 25957 692 1 3 . 1 1 45 45 VAL N N 45 121.946 121.946 121.303 0.643 25957 693 1 3 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.129 0.379 25957 694 1 3 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.940 -5.533 25957 695 1 3 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.898 -2.300 25957 696 1 3 . 1 1 45 45 VAL H H 45 8.583 8.583 8.129 0.454 25957 697 1 3 . 1 1 46 46 ASP N N 46 126.557 126.557 128.480 -1.923 25957 698 1 3 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.949 0.317 25957 699 1 3 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.326 -6.546 25957 700 1 3 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.724 -7.280 25957 701 1 3 . 1 1 46 46 ASP H H 46 8.574 8.574 8.191 0.383 25957 702 1 3 . 1 1 47 47 THR N N 47 114.542 114.542 110.658 3.884 25957 703 1 3 . 1 1 47 47 THR HA H 47 4.168 4.168 4.461 -0.293 25957 704 1 3 . 1 1 47 47 THR CA C 47 58.063 58.063 61.553 -3.490 25957 705 1 3 . 1 1 47 47 THR CB C 47 63.665 63.665 69.748 -6.083 25957 706 1 3 . 1 1 47 47 THR H H 47 9.049 9.049 8.184 0.865 25957 707 1 3 . 1 1 48 48 TYR N N 48 123.857 123.857 122.863 0.994 25957 708 1 3 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.450 -0.054 25957 709 1 3 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.254 -5.314 25957 710 1 3 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.507 -5.392 25957 711 1 3 . 1 1 48 48 TYR H H 48 8.829 8.829 7.989 0.840 25957 712 1 3 . 1 1 49 49 ASN N N 49 113.728 113.728 116.245 -2.517 25957 713 1 3 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.722 -0.227 25957 714 1 3 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.038 -6.443 25957 715 1 3 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.549 -5.409 25957 716 1 3 . 1 1 49 49 ASN H H 49 7.480 7.480 8.373 -0.893 25957 717 1 3 . 1 1 50 50 ASN N N 50 117.093 117.093 115.513 1.580 25957 718 1 3 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.392 -0.176 25957 719 1 3 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.805 -4.760 25957 720 1 3 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.507 -5.865 25957 721 1 3 . 1 1 50 50 ASN H H 50 7.916 7.916 7.964 -0.048 25957 722 1 3 . 1 1 51 51 ALA N N 51 121.083 121.083 120.739 0.344 25957 723 1 3 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.414 -0.006 25957 724 1 3 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.131 -5.048 25957 725 1 3 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.916 -4.923 25957 726 1 3 . 1 1 51 51 ALA H H 51 7.796 7.796 7.571 0.225 25957 727 1 3 . 1 1 52 52 VAL N N 52 125.472 125.472 121.086 4.386 25957 728 1 3 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.118 0.799 25957 729 1 3 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.872 -6.583 25957 730 1 3 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.570 -2.823 25957 731 1 3 . 1 1 52 52 VAL H H 52 8.247 8.247 7.943 0.304 25957 732 1 3 . 1 1 53 53 ASP N N 53 125.852 125.852 121.739 4.113 25957 733 1 3 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.723 0.211 25957 734 1 3 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.258 -5.555 25957 735 1 3 . 1 1 53 53 ASP CB C 53 38.218 38.218 38.955 -0.737 25957 736 1 3 . 1 1 53 53 ASP H H 53 8.613 8.613 8.314 0.299 25957 737 1 3 . 1 1 54 54 CYS N N 54 122.530 122.530 121.698 0.832 25957 738 1 3 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.647 0.079 25957 739 1 3 . 1 1 54 54 CYS CA C 54 50.854 50.854 59.055 -8.201 25957 740 1 3 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.878 10.276 25957 741 1 3 . 1 1 54 54 CYS H H 54 8.621 8.621 8.168 0.453 25957 742 1 4 . 1 1 2 2 LYS N N 2 119.884 119.884 121.165 -1.281 25957 743 1 4 . 1 1 2 2 LYS HA H 2 4.693 4.693 3.985 0.708 25957 744 1 4 . 1 1 2 2 LYS H H 2 8.204 8.204 8.723 -0.518 25957 745 1 4 . 1 1 3 3 TYR N N 3 122.994 122.994 118.545 4.449 25957 746 1 4 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.634 0.206 25957 747 1 4 . 1 1 3 3 TYR CA C 3 51.114 51.114 56.656 -5.542 25957 748 1 4 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.849 -4.856 25957 749 1 4 . 1 1 3 3 TYR H H 3 8.958 8.958 8.178 0.780 25957 750 1 4 . 1 1 4 4 THR N N 4 116.889 116.889 119.277 -2.388 25957 751 1 4 . 1 1 4 4 THR HA H 4 5.047 5.047 4.469 0.578 25957 752 1 4 . 1 1 4 4 THR CA C 4 56.171 56.171 63.163 -6.992 25957 753 1 4 . 1 1 4 4 THR CB C 4 65.090 65.090 69.068 -3.978 25957 754 1 4 . 1 1 4 4 THR H H 4 8.859 8.859 8.649 0.210 25957 755 1 4 . 1 1 5 5 GLY N N 5 115.377 115.377 111.596 3.781 25957 756 1 4 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.146 -4.694 25957 757 1 4 . 1 1 5 5 GLY H H 5 9.107 9.107 7.929 1.178 25957 758 1 4 . 1 1 6 6 LYS N N 6 121.194 121.194 117.170 4.024 25957 759 1 4 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.110 0.283 25957 760 1 4 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.509 -5.556 25957 761 1 4 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.608 -3.267 25957 762 1 4 . 1 1 6 6 LYS H H 6 8.391 8.391 7.869 0.522 25957 763 1 4 . 1 1 7 7 CYS N N 7 122.568 122.568 122.666 -0.098 25957 764 1 4 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.456 0.894 25957 765 1 4 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.694 -8.947 25957 766 1 4 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.061 9.902 25957 767 1 4 . 1 1 7 7 CYS H H 7 9.802 9.802 8.773 1.029 25957 768 1 4 . 1 1 8 8 THR N N 8 112.882 112.882 119.309 -6.427 25957 769 1 4 . 1 1 8 8 THR HA H 8 4.715 4.715 4.675 0.040 25957 770 1 4 . 1 1 8 8 THR CA C 8 54.652 54.652 60.179 -5.527 25957 771 1 4 . 1 1 8 8 THR CB C 8 65.734 65.734 70.503 -4.769 25957 772 1 4 . 1 1 8 8 THR H H 8 8.627 8.627 8.517 0.110 25957 773 1 4 . 1 1 9 9 LYS N N 9 127.151 127.151 128.734 -1.583 25957 774 1 4 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.190 -0.614 25957 775 1 4 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.328 -3.789 25957 776 1 4 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.436 -3.000 25957 777 1 4 . 1 1 9 9 LYS H H 9 8.919 8.919 8.942 -0.023 25957 778 1 4 . 1 1 10 10 SER N N 10 116.360 116.360 116.097 0.263 25957 779 1 4 . 1 1 10 10 SER HA H 10 4.695 4.695 4.303 0.392 25957 780 1 4 . 1 1 10 10 SER CB C 10 56.449 56.449 63.431 -6.982 25957 781 1 4 . 1 1 10 10 SER H H 10 9.376 9.376 7.893 1.483 25957 782 1 4 . 1 1 11 11 LYS N N 11 116.973 116.973 118.756 -1.783 25957 783 1 4 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.460 -0.278 25957 784 1 4 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.851 -5.191 25957 785 1 4 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.455 -5.507 25957 786 1 4 . 1 1 11 11 LYS H H 11 7.088 7.088 7.522 -0.434 25957 787 1 4 . 1 1 12 12 ASN N N 12 120.352 120.352 117.827 2.525 25957 788 1 4 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.469 0.126 25957 789 1 4 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.458 -6.207 25957 790 1 4 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.503 -5.628 25957 791 1 4 . 1 1 12 12 ASN H H 12 7.592 7.592 8.438 -0.846 25957 792 1 4 . 1 1 13 13 GLU N N 13 114.681 114.681 114.814 -0.133 25957 793 1 4 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.194 -0.308 25957 794 1 4 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.625 -5.101 25957 795 1 4 . 1 1 13 13 GLU CB C 13 29.867 29.867 35.027 -5.160 25957 796 1 4 . 1 1 13 13 GLU H H 13 7.234 7.234 7.618 -0.384 25957 797 1 4 . 1 1 14 14 CYS N N 14 123.347 123.347 119.356 3.991 25957 798 1 4 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.214 -0.567 25957 799 1 4 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.300 -8.823 25957 800 1 4 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.676 6.160 25957 801 1 4 . 1 1 14 14 CYS H H 14 9.649 9.649 8.900 0.749 25957 802 1 4 . 1 1 15 15 LYS N N 15 130.816 130.816 126.374 4.442 25957 803 1 4 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.683 -0.735 25957 804 1 4 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.371 -5.313 25957 805 1 4 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.678 -6.665 25957 806 1 4 . 1 1 15 15 LYS H H 15 8.650 8.650 8.857 -0.207 25957 807 1 4 . 1 1 16 16 TYR N N 16 126.576 126.576 121.485 5.091 25957 808 1 4 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.863 0.071 25957 809 1 4 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.243 -6.747 25957 810 1 4 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.633 -4.732 25957 811 1 4 . 1 1 16 16 TYR H H 16 8.995 8.995 8.027 0.968 25957 812 1 4 . 1 1 17 17 LYS N N 17 120.916 120.916 122.867 -1.951 25957 813 1 4 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.161 0.242 25957 814 1 4 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.433 -6.243 25957 815 1 4 . 1 1 17 17 LYS CB C 17 27.483 27.483 32.428 -4.945 25957 816 1 4 . 1 1 17 17 LYS H H 17 8.399 8.399 8.791 -0.392 25957 817 1 4 . 1 1 18 18 ASN N N 18 122.206 122.206 122.815 -0.609 25957 818 1 4 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.630 -0.611 25957 819 1 4 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.780 -6.119 25957 820 1 4 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.529 -6.905 25957 821 1 4 . 1 1 18 18 ASN H H 18 7.735 7.735 8.051 -0.316 25957 822 1 4 . 1 1 19 19 SER N N 19 113.607 113.607 115.218 -1.611 25957 823 1 4 . 1 1 19 19 SER HA H 19 4.695 4.695 4.058 0.637 25957 824 1 4 . 1 1 19 19 SER CB C 19 57.917 57.917 63.075 -5.158 25957 825 1 4 . 1 1 19 19 SER H H 19 8.196 8.196 8.685 -0.489 25957 826 1 4 . 1 1 20 20 ALA N N 20 123.347 123.347 120.932 2.415 25957 827 1 4 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.116 0.347 25957 828 1 4 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.127 -6.916 25957 829 1 4 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.515 -4.981 25957 830 1 4 . 1 1 20 20 ALA H H 20 7.409 7.409 7.793 -0.384 25957 831 1 4 . 1 1 21 21 GLY N N 21 107.557 107.557 105.051 2.506 25957 832 1 4 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.040 -4.892 25957 833 1 4 . 1 1 21 21 GLY H H 21 8.162 8.162 7.906 0.256 25957 834 1 4 . 1 1 22 22 LYS N N 22 120.341 120.341 122.324 -1.983 25957 835 1 4 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.400 -0.073 25957 836 1 4 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.339 -6.309 25957 837 1 4 . 1 1 22 22 LYS CB C 22 27.478 27.478 33.120 -5.642 25957 838 1 4 . 1 1 22 22 LYS H H 22 7.621 7.621 7.699 -0.078 25957 839 1 4 . 1 1 23 23 ASP N N 23 126.799 126.799 122.848 3.951 25957 840 1 4 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.359 -0.040 25957 841 1 4 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.434 -4.047 25957 842 1 4 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.302 -5.878 25957 843 1 4 . 1 1 23 23 ASP H H 23 8.636 8.636 8.441 0.195 25957 844 1 4 . 1 1 24 24 THR N N 24 122.688 122.688 117.192 5.496 25957 845 1 4 . 1 1 24 24 THR HA H 24 4.045 4.045 4.373 -0.328 25957 846 1 4 . 1 1 24 24 THR CA C 24 56.539 56.539 60.692 -4.153 25957 847 1 4 . 1 1 24 24 THR CB C 24 65.315 65.315 70.379 -5.064 25957 848 1 4 . 1 1 24 24 THR H H 24 8.791 8.791 8.095 0.696 25957 849 1 4 . 1 1 25 25 PHE N N 25 122.187 122.187 124.372 -2.185 25957 850 1 4 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.907 -3.913 25957 851 1 4 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.441 -4.850 25957 852 1 4 . 1 1 25 25 PHE H H 25 8.316 8.316 7.565 0.751 25957 853 1 4 . 1 1 26 26 ILE N N 26 123.106 123.106 124.260 -1.154 25957 854 1 4 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.639 -0.013 25957 855 1 4 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.769 -5.383 25957 856 1 4 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.842 -4.986 25957 857 1 4 . 1 1 26 26 ILE H H 26 9.104 9.104 9.160 -0.056 25957 858 1 4 . 1 1 27 27 LYS N N 27 127.012 127.012 127.119 -0.107 25957 859 1 4 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.883 -0.666 25957 860 1 4 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.412 -2.861 25957 861 1 4 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.784 -5.841 25957 862 1 4 . 1 1 27 27 LYS H H 27 8.317 8.317 8.349 -0.032 25957 863 1 4 . 1 1 28 28 CYS N N 28 119.357 119.357 123.820 -4.463 25957 864 1 4 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.959 -0.396 25957 865 1 4 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.802 -5.495 25957 866 1 4 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.200 7.634 25957 867 1 4 . 1 1 28 28 CYS H H 28 8.402 8.402 8.505 -0.103 25957 868 1 4 . 1 1 30 30 LYS N N 30 116.694 116.694 116.689 0.005 25957 869 1 4 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.474 -0.499 25957 870 1 4 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.553 -4.664 25957 871 1 4 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.654 -5.173 25957 872 1 4 . 1 1 30 30 LYS H H 30 8.007 8.007 8.435 -0.428 25957 873 1 4 . 1 1 31 31 PHE N N 31 117.093 117.093 119.623 -2.530 25957 874 1 4 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.569 -0.067 25957 875 1 4 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.209 -5.774 25957 876 1 4 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.057 -6.076 25957 877 1 4 . 1 1 31 31 PHE H H 31 6.453 6.453 7.746 -1.293 25957 878 1 4 . 1 1 32 32 ASP N N 32 121.556 121.556 120.822 0.734 25957 879 1 4 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.345 -0.186 25957 880 1 4 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.999 -5.718 25957 881 1 4 . 1 1 32 32 ASP H H 32 8.788 8.788 7.689 1.099 25957 882 1 4 . 1 1 33 33 ASN N N 33 113.280 113.280 117.114 -3.834 25957 883 1 4 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.254 0.313 25957 884 1 4 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.731 -5.984 25957 885 1 4 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.173 -6.001 25957 886 1 4 . 1 1 33 33 ASN H H 33 8.446 8.446 8.784 -0.338 25957 887 1 4 . 1 1 34 34 LYS N N 34 117.362 117.362 116.558 0.804 25957 888 1 4 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.420 0.426 25957 889 1 4 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.644 -5.735 25957 890 1 4 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.835 -3.689 25957 891 1 4 . 1 1 34 34 LYS H H 34 7.652 7.652 7.532 0.120 25957 892 1 4 . 1 1 35 35 LYS N N 35 116.833 116.833 118.133 -1.300 25957 893 1 4 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.444 0.068 25957 894 1 4 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.414 -5.676 25957 895 1 4 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.978 -5.842 25957 896 1 4 . 1 1 35 35 LYS H H 35 6.918 6.918 7.682 -0.764 25957 897 1 4 . 1 1 36 36 CYS N N 36 117.631 117.631 121.200 -3.569 25957 898 1 4 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.789 -0.084 25957 899 1 4 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.530 7.551 25957 900 1 4 . 1 1 36 36 CYS H H 36 8.542 8.542 8.678 -0.136 25957 901 1 4 . 1 1 37 37 THR N N 37 122.048 122.048 120.360 1.688 25957 902 1 4 . 1 1 37 37 THR HA H 37 4.217 4.217 4.649 -0.432 25957 903 1 4 . 1 1 37 37 THR CA C 37 57.923 57.923 60.177 -2.254 25957 904 1 4 . 1 1 37 37 THR H H 37 10.132 10.132 8.108 2.024 25957 905 1 4 . 1 1 38 38 LYS N N 38 122.048 122.048 121.190 0.858 25957 906 1 4 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.065 0.091 25957 907 1 4 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.277 -6.028 25957 908 1 4 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.510 -3.638 25957 909 1 4 . 1 1 38 38 LYS H H 38 7.254 7.254 8.314 -1.060 25957 910 1 4 . 1 1 39 39 ASP N N 39 124.813 124.813 120.954 3.859 25957 911 1 4 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.449 0.137 25957 912 1 4 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.686 -7.668 25957 913 1 4 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.754 -6.001 25957 914 1 4 . 1 1 39 39 ASP H H 39 8.785 8.785 8.719 0.066 25957 915 1 4 . 1 1 40 40 ASN N N 40 114.848 114.848 116.644 -1.796 25957 916 1 4 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.627 -0.357 25957 917 1 4 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.718 -3.348 25957 918 1 4 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.409 -6.882 25957 919 1 4 . 1 1 40 40 ASN H H 40 9.453 9.453 8.153 1.300 25957 920 1 4 . 1 1 41 41 ASN N N 41 120.276 120.276 119.177 1.099 25957 921 1 4 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.502 0.195 25957 922 1 4 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.017 -5.316 25957 923 1 4 . 1 1 41 41 ASN H H 41 7.732 7.732 8.012 -0.280 25957 924 1 4 . 1 1 42 42 LYS N N 42 119.784 119.784 115.188 4.596 25957 925 1 4 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.428 -0.041 25957 926 1 4 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.634 -3.710 25957 927 1 4 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.429 -5.470 25957 928 1 4 . 1 1 42 42 LYS H H 42 8.513 8.513 8.253 0.260 25957 929 1 4 . 1 1 43 43 CYS N N 43 114.096 114.096 120.139 -6.043 25957 930 1 4 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.459 0.909 25957 931 1 4 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.439 -11.026 25957 932 1 4 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.578 16.991 25957 933 1 4 . 1 1 43 43 CYS H H 43 7.547 7.547 8.176 -0.629 25957 934 1 4 . 1 1 44 44 THR N N 44 113.240 113.240 121.436 -8.196 25957 935 1 4 . 1 1 44 44 THR HA H 44 5.245 5.245 4.492 0.753 25957 936 1 4 . 1 1 44 44 THR CA C 44 54.725 54.725 60.843 -6.118 25957 937 1 4 . 1 1 44 44 THR CB C 44 66.847 66.847 71.580 -4.733 25957 938 1 4 . 1 1 44 44 THR H H 44 9.020 9.020 8.106 0.914 25957 939 1 4 . 1 1 45 45 VAL N N 45 121.946 121.946 121.811 0.135 25957 940 1 4 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.460 0.048 25957 941 1 4 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.187 -4.780 25957 942 1 4 . 1 1 45 45 VAL CB C 45 30.598 30.598 31.988 -1.390 25957 943 1 4 . 1 1 45 45 VAL H H 45 8.583 8.583 8.069 0.514 25957 944 1 4 . 1 1 46 46 ASP N N 46 126.557 126.557 129.548 -2.991 25957 945 1 4 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.890 0.376 25957 946 1 4 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.803 -7.023 25957 947 1 4 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.346 -6.902 25957 948 1 4 . 1 1 46 46 ASP H H 46 8.574 8.574 8.251 0.323 25957 949 1 4 . 1 1 47 47 THR N N 47 114.542 114.542 113.443 1.099 25957 950 1 4 . 1 1 47 47 THR HA H 47 4.168 4.168 4.429 -0.261 25957 951 1 4 . 1 1 47 47 THR CA C 47 58.063 58.063 61.119 -3.056 25957 952 1 4 . 1 1 47 47 THR CB C 47 63.665 63.665 69.370 -5.705 25957 953 1 4 . 1 1 47 47 THR H H 47 9.049 9.049 8.125 0.924 25957 954 1 4 . 1 1 48 48 TYR N N 48 123.857 123.857 121.023 2.834 25957 955 1 4 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.436 -0.040 25957 956 1 4 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.695 -4.755 25957 957 1 4 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.739 -5.625 25957 958 1 4 . 1 1 48 48 TYR H H 48 8.829 8.829 7.880 0.949 25957 959 1 4 . 1 1 49 49 ASN N N 49 113.728 113.728 116.314 -2.586 25957 960 1 4 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.686 -0.191 25957 961 1 4 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.992 -6.397 25957 962 1 4 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.351 -5.211 25957 963 1 4 . 1 1 49 49 ASN H H 49 7.480 7.480 8.262 -0.782 25957 964 1 4 . 1 1 50 50 ASN N N 50 117.093 117.093 115.046 2.047 25957 965 1 4 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.390 -0.174 25957 966 1 4 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.921 -4.876 25957 967 1 4 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.401 -5.759 25957 968 1 4 . 1 1 50 50 ASN H H 50 7.916 7.916 7.985 -0.069 25957 969 1 4 . 1 1 51 51 ALA N N 51 121.083 121.083 120.286 0.797 25957 970 1 4 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.412 -0.004 25957 971 1 4 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.020 -4.937 25957 972 1 4 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.080 -5.087 25957 973 1 4 . 1 1 51 51 ALA H H 51 7.796 7.796 7.576 0.220 25957 974 1 4 . 1 1 52 52 VAL N N 52 125.472 125.472 121.247 4.225 25957 975 1 4 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.115 0.802 25957 976 1 4 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.859 -6.570 25957 977 1 4 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.509 -2.762 25957 978 1 4 . 1 1 52 52 VAL H H 52 8.247 8.247 7.887 0.360 25957 979 1 4 . 1 1 53 53 ASP N N 53 125.852 125.852 123.619 2.233 25957 980 1 4 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.818 0.116 25957 981 1 4 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.606 -5.903 25957 982 1 4 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.113 -0.895 25957 983 1 4 . 1 1 53 53 ASP H H 53 8.613 8.613 8.355 0.258 25957 984 1 4 . 1 1 54 54 CYS N N 54 122.530 122.530 120.645 1.885 25957 985 1 4 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.620 0.106 25957 986 1 4 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.521 -7.667 25957 987 1 4 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.168 9.986 25957 988 1 4 . 1 1 54 54 CYS H H 54 8.621 8.621 8.119 0.502 25957 989 1 5 . 1 1 2 2 LYS N N 2 119.884 119.884 121.503 -1.619 25957 990 1 5 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.399 0.294 25957 991 1 5 . 1 1 2 2 LYS H H 2 8.204 8.204 8.187 0.017 25957 992 1 5 . 1 1 3 3 TYR N N 3 122.994 122.994 119.884 3.110 25957 993 1 5 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.724 0.116 25957 994 1 5 . 1 1 3 3 TYR CA C 3 51.114 51.114 56.958 -5.844 25957 995 1 5 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.124 -4.131 25957 996 1 5 . 1 1 3 3 TYR H H 3 8.958 8.958 7.911 1.047 25957 997 1 5 . 1 1 4 4 THR N N 4 116.889 116.889 120.865 -3.976 25957 998 1 5 . 1 1 4 4 THR HA H 4 5.047 5.047 4.463 0.584 25957 999 1 5 . 1 1 4 4 THR CA C 4 56.171 56.171 62.585 -6.414 25957 1000 1 5 . 1 1 4 4 THR CB C 4 65.090 65.090 69.344 -4.255 25957 1001 1 5 . 1 1 4 4 THR H H 4 8.859 8.859 8.781 0.078 25957 1002 1 5 . 1 1 5 5 GLY N N 5 115.377 115.377 112.129 3.248 25957 1003 1 5 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.665 -5.213 25957 1004 1 5 . 1 1 5 5 GLY H H 5 9.107 9.107 7.912 1.195 25957 1005 1 5 . 1 1 6 6 LYS N N 6 121.194 121.194 117.486 3.708 25957 1006 1 5 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.079 0.314 25957 1007 1 5 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.206 -5.253 25957 1008 1 5 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.651 -3.311 25957 1009 1 5 . 1 1 6 6 LYS H H 6 8.391 8.391 7.967 0.424 25957 1010 1 5 . 1 1 7 7 CYS N N 7 122.568 122.568 123.139 -0.571 25957 1011 1 5 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.479 0.871 25957 1012 1 5 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.749 -9.002 25957 1013 1 5 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.332 9.631 25957 1014 1 5 . 1 1 7 7 CYS H H 7 9.802 9.802 8.766 1.036 25957 1015 1 5 . 1 1 8 8 THR N N 8 112.882 112.882 119.047 -6.165 25957 1016 1 5 . 1 1 8 8 THR HA H 8 4.715 4.715 4.690 0.025 25957 1017 1 5 . 1 1 8 8 THR CA C 8 54.652 54.652 60.696 -6.044 25957 1018 1 5 . 1 1 8 8 THR CB C 8 65.734 65.734 70.748 -5.014 25957 1019 1 5 . 1 1 8 8 THR H H 8 8.627 8.627 8.422 0.205 25957 1020 1 5 . 1 1 9 9 LYS N N 9 127.151 127.151 129.958 -2.807 25957 1021 1 5 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.136 -0.560 25957 1022 1 5 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.265 -3.726 25957 1023 1 5 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.845 -3.409 25957 1024 1 5 . 1 1 9 9 LYS H H 9 8.919 8.919 9.005 -0.086 25957 1025 1 5 . 1 1 10 10 SER N N 10 116.360 116.360 114.489 1.871 25957 1026 1 5 . 1 1 10 10 SER HA H 10 4.695 4.695 4.245 0.450 25957 1027 1 5 . 1 1 10 10 SER CB C 10 56.449 56.449 63.486 -7.037 25957 1028 1 5 . 1 1 10 10 SER H H 10 9.376 9.376 7.789 1.587 25957 1029 1 5 . 1 1 11 11 LYS N N 11 116.973 116.973 118.265 -1.292 25957 1030 1 5 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.478 -0.296 25957 1031 1 5 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.831 -5.171 25957 1032 1 5 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.656 -5.708 25957 1033 1 5 . 1 1 11 11 LYS H H 11 7.088 7.088 7.718 -0.630 25957 1034 1 5 . 1 1 12 12 ASN N N 12 120.352 120.352 117.258 3.094 25957 1035 1 5 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.419 0.176 25957 1036 1 5 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.513 -6.262 25957 1037 1 5 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.503 -5.628 25957 1038 1 5 . 1 1 12 12 ASN H H 12 7.592 7.592 8.497 -0.905 25957 1039 1 5 . 1 1 13 13 GLU N N 13 114.681 114.681 113.790 0.891 25957 1040 1 5 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.193 -0.307 25957 1041 1 5 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.285 -4.761 25957 1042 1 5 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.096 -4.229 25957 1043 1 5 . 1 1 13 13 GLU H H 13 7.234 7.234 7.636 -0.402 25957 1044 1 5 . 1 1 14 14 CYS N N 14 123.347 123.347 119.050 4.297 25957 1045 1 5 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.261 -0.614 25957 1046 1 5 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.177 -8.700 25957 1047 1 5 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.829 6.006 25957 1048 1 5 . 1 1 14 14 CYS H H 14 9.649 9.649 8.604 1.045 25957 1049 1 5 . 1 1 15 15 LYS N N 15 130.816 130.816 122.379 8.437 25957 1050 1 5 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.681 -0.733 25957 1051 1 5 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.713 -5.655 25957 1052 1 5 . 1 1 15 15 LYS CB C 15 29.013 29.013 36.013 -7.000 25957 1053 1 5 . 1 1 15 15 LYS H H 15 8.650 8.650 8.293 0.357 25957 1054 1 5 . 1 1 16 16 TYR N N 16 126.576 126.576 119.493 7.083 25957 1055 1 5 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.936 -0.002 25957 1056 1 5 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.026 -6.530 25957 1057 1 5 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.717 -5.816 25957 1058 1 5 . 1 1 16 16 TYR H H 16 8.995 8.995 7.917 1.078 25957 1059 1 5 . 1 1 17 17 LYS N N 17 120.916 120.916 122.820 -1.904 25957 1060 1 5 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.272 0.131 25957 1061 1 5 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.724 -6.534 25957 1062 1 5 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.393 -5.910 25957 1063 1 5 . 1 1 17 17 LYS H H 17 8.399 8.399 8.894 -0.495 25957 1064 1 5 . 1 1 18 18 ASN N N 18 122.206 122.206 123.910 -1.704 25957 1065 1 5 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.818 -0.799 25957 1066 1 5 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.968 -6.308 25957 1067 1 5 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.757 -7.133 25957 1068 1 5 . 1 1 18 18 ASN H H 18 7.735 7.735 8.277 -0.542 25957 1069 1 5 . 1 1 19 19 SER N N 19 113.607 113.607 114.924 -1.317 25957 1070 1 5 . 1 1 19 19 SER HA H 19 4.695 4.695 4.193 0.502 25957 1071 1 5 . 1 1 19 19 SER CB C 19 57.917 57.917 63.352 -5.435 25957 1072 1 5 . 1 1 19 19 SER H H 19 8.196 8.196 8.648 -0.452 25957 1073 1 5 . 1 1 20 20 ALA N N 20 123.347 123.347 121.374 1.973 25957 1074 1 5 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.207 0.256 25957 1075 1 5 . 1 1 20 20 ALA CA C 20 46.211 46.211 52.953 -6.742 25957 1076 1 5 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.543 -5.010 25957 1077 1 5 . 1 1 20 20 ALA H H 20 7.409 7.409 8.023 -0.614 25957 1078 1 5 . 1 1 21 21 GLY N N 21 107.557 107.557 105.136 2.421 25957 1079 1 5 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.933 -4.785 25957 1080 1 5 . 1 1 21 21 GLY H H 21 8.162 8.162 7.574 0.588 25957 1081 1 5 . 1 1 22 22 LYS N N 22 120.341 120.341 122.602 -2.261 25957 1082 1 5 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.289 0.038 25957 1083 1 5 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.877 -6.847 25957 1084 1 5 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.715 -5.237 25957 1085 1 5 . 1 1 22 22 LYS H H 22 7.621 7.621 7.824 -0.203 25957 1086 1 5 . 1 1 23 23 ASP N N 23 126.799 126.799 124.877 1.922 25957 1087 1 5 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.345 -0.026 25957 1088 1 5 . 1 1 23 23 ASP CA C 23 50.387 50.387 55.117 -4.730 25957 1089 1 5 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.132 -5.708 25957 1090 1 5 . 1 1 23 23 ASP H H 23 8.636 8.636 8.421 0.215 25957 1091 1 5 . 1 1 24 24 THR N N 24 122.688 122.688 117.575 5.113 25957 1092 1 5 . 1 1 24 24 THR HA H 24 4.045 4.045 4.659 -0.614 25957 1093 1 5 . 1 1 24 24 THR CA C 24 56.539 56.539 60.386 -3.847 25957 1094 1 5 . 1 1 24 24 THR CB C 24 65.315 65.315 69.814 -4.499 25957 1095 1 5 . 1 1 24 24 THR H H 24 8.791 8.791 7.750 1.041 25957 1096 1 5 . 1 1 25 25 PHE N N 25 122.187 122.187 126.991 -4.804 25957 1097 1 5 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.803 -3.809 25957 1098 1 5 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.175 -4.584 25957 1099 1 5 . 1 1 25 25 PHE H H 25 8.316 8.316 8.316 -0.000 25957 1100 1 5 . 1 1 26 26 ILE N N 26 123.106 123.106 124.587 -1.481 25957 1101 1 5 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.467 0.159 25957 1102 1 5 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.051 -5.665 25957 1103 1 5 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.708 -4.852 25957 1104 1 5 . 1 1 26 26 ILE H H 26 9.104 9.104 8.682 0.422 25957 1105 1 5 . 1 1 27 27 LYS N N 27 127.012 127.012 127.509 -0.497 25957 1106 1 5 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.794 -0.577 25957 1107 1 5 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.653 -3.102 25957 1108 1 5 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.126 -6.183 25957 1109 1 5 . 1 1 27 27 LYS H H 27 8.317 8.317 8.308 0.009 25957 1110 1 5 . 1 1 28 28 CYS N N 28 119.357 119.357 122.455 -3.098 25957 1111 1 5 . 1 1 28 28 CYS HA H 28 4.563 4.563 5.023 -0.460 25957 1112 1 5 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.385 -5.078 25957 1113 1 5 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.113 7.721 25957 1114 1 5 . 1 1 28 28 CYS H H 28 8.402 8.402 9.034 -0.632 25957 1115 1 5 . 1 1 30 30 LYS N N 30 116.694 116.694 116.595 0.099 25957 1116 1 5 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.478 -0.503 25957 1117 1 5 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.710 -4.821 25957 1118 1 5 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.696 -5.215 25957 1119 1 5 . 1 1 30 30 LYS H H 30 8.007 8.007 8.404 -0.397 25957 1120 1 5 . 1 1 31 31 PHE N N 31 117.093 117.093 119.731 -2.638 25957 1121 1 5 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.541 -0.039 25957 1122 1 5 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.033 -5.598 25957 1123 1 5 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.950 -5.968 25957 1124 1 5 . 1 1 31 31 PHE H H 31 6.453 6.453 7.588 -1.135 25957 1125 1 5 . 1 1 32 32 ASP N N 32 121.556 121.556 120.858 0.698 25957 1126 1 5 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.300 -0.141 25957 1127 1 5 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.130 -5.849 25957 1128 1 5 . 1 1 32 32 ASP H H 32 8.788 8.788 7.673 1.115 25957 1129 1 5 . 1 1 33 33 ASN N N 33 113.280 113.280 117.912 -4.632 25957 1130 1 5 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.273 0.294 25957 1131 1 5 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.804 -6.057 25957 1132 1 5 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.138 -5.966 25957 1133 1 5 . 1 1 33 33 ASN H H 33 8.446 8.446 8.631 -0.185 25957 1134 1 5 . 1 1 34 34 LYS N N 34 117.362 117.362 116.310 1.052 25957 1135 1 5 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.483 0.363 25957 1136 1 5 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.508 -5.599 25957 1137 1 5 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.547 -3.401 25957 1138 1 5 . 1 1 34 34 LYS H H 34 7.652 7.652 7.679 -0.027 25957 1139 1 5 . 1 1 35 35 LYS N N 35 116.833 116.833 118.271 -1.438 25957 1140 1 5 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.440 0.072 25957 1141 1 5 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.732 -5.994 25957 1142 1 5 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.640 -5.504 25957 1143 1 5 . 1 1 35 35 LYS H H 35 6.918 6.918 7.629 -0.711 25957 1144 1 5 . 1 1 36 36 CYS N N 36 117.631 117.631 122.587 -4.956 25957 1145 1 5 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.728 -0.023 25957 1146 1 5 . 1 1 36 36 CYS CB C 36 36.081 36.081 29.436 6.645 25957 1147 1 5 . 1 1 36 36 CYS H H 36 8.542 8.542 8.777 -0.235 25957 1148 1 5 . 1 1 37 37 THR N N 37 122.048 122.048 120.441 1.607 25957 1149 1 5 . 1 1 37 37 THR HA H 37 4.217 4.217 4.555 -0.338 25957 1150 1 5 . 1 1 37 37 THR CA C 37 57.923 57.923 60.236 -2.313 25957 1151 1 5 . 1 1 37 37 THR H H 37 10.132 10.132 8.230 1.902 25957 1152 1 5 . 1 1 38 38 LYS N N 38 122.048 122.048 121.271 0.777 25957 1153 1 5 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.079 0.077 25957 1154 1 5 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.677 -6.428 25957 1155 1 5 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.179 -3.307 25957 1156 1 5 . 1 1 38 38 LYS H H 38 7.254 7.254 8.406 -1.152 25957 1157 1 5 . 1 1 39 39 ASP N N 39 124.813 124.813 120.755 4.058 25957 1158 1 5 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.522 0.064 25957 1159 1 5 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.645 -7.627 25957 1160 1 5 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.688 -5.935 25957 1161 1 5 . 1 1 39 39 ASP H H 39 8.785 8.785 8.713 0.071 25957 1162 1 5 . 1 1 40 40 ASN N N 40 114.848 114.848 117.790 -2.942 25957 1163 1 5 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.613 -0.343 25957 1164 1 5 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.839 -3.469 25957 1165 1 5 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.406 -6.878 25957 1166 1 5 . 1 1 40 40 ASN H H 40 9.453 9.453 8.219 1.234 25957 1167 1 5 . 1 1 41 41 ASN N N 41 120.276 120.276 119.182 1.094 25957 1168 1 5 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.518 0.179 25957 1169 1 5 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.047 -5.346 25957 1170 1 5 . 1 1 41 41 ASN H H 41 7.732 7.732 7.924 -0.192 25957 1171 1 5 . 1 1 42 42 LYS N N 42 119.784 119.784 115.230 4.554 25957 1172 1 5 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.453 -0.066 25957 1173 1 5 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.585 -3.661 25957 1174 1 5 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.408 -5.449 25957 1175 1 5 . 1 1 42 42 LYS H H 42 8.513 8.513 8.599 -0.086 25957 1176 1 5 . 1 1 43 43 CYS N N 43 114.096 114.096 119.903 -5.807 25957 1177 1 5 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.522 0.846 25957 1178 1 5 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.355 -10.942 25957 1179 1 5 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.405 17.164 25957 1180 1 5 . 1 1 43 43 CYS H H 43 7.547 7.547 8.154 -0.607 25957 1181 1 5 . 1 1 44 44 THR N N 44 113.240 113.240 121.009 -7.769 25957 1182 1 5 . 1 1 44 44 THR HA H 44 5.245 5.245 4.673 0.572 25957 1183 1 5 . 1 1 44 44 THR CA C 44 54.725 54.725 60.439 -5.714 25957 1184 1 5 . 1 1 44 44 THR CB C 44 66.847 66.847 71.840 -4.993 25957 1185 1 5 . 1 1 44 44 THR H H 44 9.020 9.020 8.033 0.988 25957 1186 1 5 . 1 1 45 45 VAL N N 45 121.946 121.946 121.740 0.206 25957 1187 1 5 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.468 0.040 25957 1188 1 5 . 1 1 45 45 VAL CA C 45 55.407 55.407 61.715 -6.308 25957 1189 1 5 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.275 -1.677 25957 1190 1 5 . 1 1 45 45 VAL H H 45 8.583 8.583 8.025 0.558 25957 1191 1 5 . 1 1 46 46 ASP N N 46 126.557 126.557 129.110 -2.553 25957 1192 1 5 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.930 0.336 25957 1193 1 5 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.713 -6.933 25957 1194 1 5 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.631 -7.187 25957 1195 1 5 . 1 1 46 46 ASP H H 46 8.574 8.574 8.131 0.443 25957 1196 1 5 . 1 1 47 47 THR N N 47 114.542 114.542 112.764 1.778 25957 1197 1 5 . 1 1 47 47 THR HA H 47 4.168 4.168 4.530 -0.362 25957 1198 1 5 . 1 1 47 47 THR CA C 47 58.063 58.063 61.850 -3.787 25957 1199 1 5 . 1 1 47 47 THR CB C 47 63.665 63.665 69.872 -6.207 25957 1200 1 5 . 1 1 47 47 THR H H 47 9.049 9.049 8.397 0.652 25957 1201 1 5 . 1 1 48 48 TYR N N 48 123.857 123.857 122.846 1.011 25957 1202 1 5 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.407 -0.011 25957 1203 1 5 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.059 -5.119 25957 1204 1 5 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.776 -5.661 25957 1205 1 5 . 1 1 48 48 TYR H H 48 8.829 8.829 8.165 0.664 25957 1206 1 5 . 1 1 49 49 ASN N N 49 113.728 113.728 115.256 -1.528 25957 1207 1 5 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.684 -0.189 25957 1208 1 5 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.521 -5.926 25957 1209 1 5 . 1 1 49 49 ASN CB C 49 33.140 33.140 36.951 -3.811 25957 1210 1 5 . 1 1 49 49 ASN H H 49 7.480 7.480 8.283 -0.803 25957 1211 1 5 . 1 1 50 50 ASN N N 50 117.093 117.093 113.299 3.794 25957 1212 1 5 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.250 -0.034 25957 1213 1 5 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.452 -5.407 25957 1214 1 5 . 1 1 50 50 ASN CB C 50 31.642 31.642 36.284 -4.642 25957 1215 1 5 . 1 1 50 50 ASN H H 50 7.916 7.916 7.667 0.249 25957 1216 1 5 . 1 1 51 51 ALA N N 51 121.083 121.083 120.853 0.230 25957 1217 1 5 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.677 -0.269 25957 1218 1 5 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.248 -4.165 25957 1219 1 5 . 1 1 51 51 ALA CB C 51 14.993 14.993 21.353 -6.360 25957 1220 1 5 . 1 1 51 51 ALA H H 51 7.796 7.796 7.678 0.118 25957 1221 1 5 . 1 1 52 52 VAL N N 52 125.472 125.472 118.140 7.332 25957 1222 1 5 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.220 0.697 25957 1223 1 5 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.044 -5.755 25957 1224 1 5 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.756 -3.009 25957 1225 1 5 . 1 1 52 52 VAL H H 52 8.247 8.247 7.969 0.278 25957 1226 1 5 . 1 1 53 53 ASP N N 53 125.852 125.852 123.776 2.076 25957 1227 1 5 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.963 -0.029 25957 1228 1 5 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.735 -6.032 25957 1229 1 5 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.152 -0.934 25957 1230 1 5 . 1 1 53 53 ASP H H 53 8.613 8.613 8.381 0.232 25957 1231 1 5 . 1 1 54 54 CYS N N 54 122.530 122.530 121.353 1.177 25957 1232 1 5 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.571 0.155 25957 1233 1 5 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.977 -8.123 25957 1234 1 5 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.294 9.860 25957 1235 1 5 . 1 1 54 54 CYS H H 54 8.621 8.621 8.149 0.472 25957 1236 1 6 . 1 1 2 2 LYS N N 2 119.884 119.884 121.069 -1.185 25957 1237 1 6 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.616 0.077 25957 1238 1 6 . 1 1 2 2 LYS H H 2 8.204 8.204 8.164 0.040 25957 1239 1 6 . 1 1 3 3 TYR N N 3 122.994 122.994 120.235 2.759 25957 1240 1 6 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.825 0.015 25957 1241 1 6 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.520 -6.406 25957 1242 1 6 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.395 -5.402 25957 1243 1 6 . 1 1 3 3 TYR H H 3 8.958 8.958 8.189 0.769 25957 1244 1 6 . 1 1 4 4 THR N N 4 116.889 116.889 119.444 -2.555 25957 1245 1 6 . 1 1 4 4 THR HA H 4 5.047 5.047 4.492 0.555 25957 1246 1 6 . 1 1 4 4 THR CA C 4 56.171 56.171 62.383 -6.212 25957 1247 1 6 . 1 1 4 4 THR CB C 4 65.090 65.090 69.132 -4.042 25957 1248 1 6 . 1 1 4 4 THR H H 4 8.859 8.859 8.065 0.794 25957 1249 1 6 . 1 1 5 5 GLY N N 5 115.377 115.377 112.653 2.724 25957 1250 1 6 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.226 -4.774 25957 1251 1 6 . 1 1 5 5 GLY H H 5 9.107 9.107 7.966 1.141 25957 1252 1 6 . 1 1 6 6 LYS N N 6 121.194 121.194 117.235 3.959 25957 1253 1 6 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.107 0.286 25957 1254 1 6 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.349 -5.396 25957 1255 1 6 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.683 -3.342 25957 1256 1 6 . 1 1 6 6 LYS H H 6 8.391 8.391 7.929 0.462 25957 1257 1 6 . 1 1 7 7 CYS N N 7 122.568 122.568 123.019 -0.451 25957 1258 1 6 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.401 0.949 25957 1259 1 6 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.741 -8.993 25957 1260 1 6 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.596 9.367 25957 1261 1 6 . 1 1 7 7 CYS H H 7 9.802 9.802 8.758 1.044 25957 1262 1 6 . 1 1 8 8 THR N N 8 112.882 112.882 118.816 -5.934 25957 1263 1 6 . 1 1 8 8 THR HA H 8 4.715 4.715 4.670 0.045 25957 1264 1 6 . 1 1 8 8 THR CA C 8 54.652 54.652 60.777 -6.125 25957 1265 1 6 . 1 1 8 8 THR CB C 8 65.734 65.734 70.355 -4.621 25957 1266 1 6 . 1 1 8 8 THR H H 8 8.627 8.627 8.546 0.081 25957 1267 1 6 . 1 1 9 9 LYS N N 9 127.151 127.151 129.063 -1.912 25957 1268 1 6 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.065 -0.489 25957 1269 1 6 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.920 -4.381 25957 1270 1 6 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.952 -3.516 25957 1271 1 6 . 1 1 9 9 LYS H H 9 8.919 8.919 8.911 0.008 25957 1272 1 6 . 1 1 10 10 SER N N 10 116.360 116.360 113.220 3.140 25957 1273 1 6 . 1 1 10 10 SER HA H 10 4.695 4.695 4.332 0.363 25957 1274 1 6 . 1 1 10 10 SER CB C 10 56.449 56.449 63.437 -6.988 25957 1275 1 6 . 1 1 10 10 SER H H 10 9.376 9.376 7.604 1.772 25957 1276 1 6 . 1 1 11 11 LYS N N 11 116.973 116.973 117.942 -0.969 25957 1277 1 6 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.463 -0.281 25957 1278 1 6 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.147 -4.487 25957 1279 1 6 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.412 -5.464 25957 1280 1 6 . 1 1 11 11 LYS H H 11 7.088 7.088 7.654 -0.566 25957 1281 1 6 . 1 1 12 12 ASN N N 12 120.352 120.352 117.244 3.108 25957 1282 1 6 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.355 0.240 25957 1283 1 6 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.687 -6.436 25957 1284 1 6 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.689 -5.814 25957 1285 1 6 . 1 1 12 12 ASN H H 12 7.592 7.592 8.276 -0.684 25957 1286 1 6 . 1 1 13 13 GLU N N 13 114.681 114.681 115.277 -0.596 25957 1287 1 6 . 1 1 13 13 GLU HA H 13 4.886 4.886 4.995 -0.109 25957 1288 1 6 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.387 -4.863 25957 1289 1 6 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.412 -3.545 25957 1290 1 6 . 1 1 13 13 GLU H H 13 7.234 7.234 7.589 -0.355 25957 1291 1 6 . 1 1 14 14 CYS N N 14 123.347 123.347 118.779 4.568 25957 1292 1 6 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.184 -0.537 25957 1293 1 6 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.242 -8.765 25957 1294 1 6 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.671 6.165 25957 1295 1 6 . 1 1 14 14 CYS H H 14 9.649 9.649 8.380 1.269 25957 1296 1 6 . 1 1 15 15 LYS N N 15 130.816 130.816 122.592 8.224 25957 1297 1 6 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.738 -0.790 25957 1298 1 6 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.728 -5.670 25957 1299 1 6 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.874 -6.861 25957 1300 1 6 . 1 1 15 15 LYS H H 15 8.650 8.650 8.306 0.344 25957 1301 1 6 . 1 1 16 16 TYR N N 16 126.576 126.576 119.659 6.917 25957 1302 1 6 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.974 -0.040 25957 1303 1 6 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.054 -6.558 25957 1304 1 6 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.650 -5.749 25957 1305 1 6 . 1 1 16 16 TYR H H 16 8.995 8.995 7.938 1.057 25957 1306 1 6 . 1 1 17 17 LYS N N 17 120.916 120.916 122.531 -1.615 25957 1307 1 6 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.224 0.179 25957 1308 1 6 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.627 -6.437 25957 1309 1 6 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.151 -5.668 25957 1310 1 6 . 1 1 17 17 LYS H H 17 8.399 8.399 8.840 -0.441 25957 1311 1 6 . 1 1 18 18 ASN N N 18 122.206 122.206 123.296 -1.090 25957 1312 1 6 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.837 -0.818 25957 1313 1 6 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.881 -6.220 25957 1314 1 6 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.809 -7.185 25957 1315 1 6 . 1 1 18 18 ASN H H 18 7.735 7.735 8.191 -0.456 25957 1316 1 6 . 1 1 19 19 SER N N 19 113.607 113.607 115.354 -1.747 25957 1317 1 6 . 1 1 19 19 SER HA H 19 4.695 4.695 4.217 0.478 25957 1318 1 6 . 1 1 19 19 SER CB C 19 57.917 57.917 63.164 -5.247 25957 1319 1 6 . 1 1 19 19 SER H H 19 8.196 8.196 8.615 -0.419 25957 1320 1 6 . 1 1 20 20 ALA N N 20 123.347 123.347 121.117 2.230 25957 1321 1 6 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.193 0.270 25957 1322 1 6 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.044 -6.833 25957 1323 1 6 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.578 -5.045 25957 1324 1 6 . 1 1 20 20 ALA H H 20 7.409 7.409 8.011 -0.602 25957 1325 1 6 . 1 1 21 21 GLY N N 21 107.557 107.557 105.118 2.439 25957 1326 1 6 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.090 -4.942 25957 1327 1 6 . 1 1 21 21 GLY H H 21 8.162 8.162 7.583 0.579 25957 1328 1 6 . 1 1 22 22 LYS N N 22 120.341 120.341 122.672 -2.331 25957 1329 1 6 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.332 -0.005 25957 1330 1 6 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.911 -6.881 25957 1331 1 6 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.670 -5.192 25957 1332 1 6 . 1 1 22 22 LYS H H 22 7.621 7.621 7.774 -0.153 25957 1333 1 6 . 1 1 23 23 ASP N N 23 126.799 126.799 124.134 2.665 25957 1334 1 6 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.387 -0.068 25957 1335 1 6 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.957 -4.570 25957 1336 1 6 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.232 -5.808 25957 1337 1 6 . 1 1 23 23 ASP H H 23 8.636 8.636 8.501 0.135 25957 1338 1 6 . 1 1 24 24 THR N N 24 122.688 122.688 118.081 4.607 25957 1339 1 6 . 1 1 24 24 THR HA H 24 4.045 4.045 4.616 -0.571 25957 1340 1 6 . 1 1 24 24 THR CA C 24 56.539 56.539 60.666 -4.127 25957 1341 1 6 . 1 1 24 24 THR CB C 24 65.315 65.315 69.707 -4.392 25957 1342 1 6 . 1 1 24 24 THR H H 24 8.791 8.791 7.899 0.892 25957 1343 1 6 . 1 1 25 25 PHE N N 25 122.187 122.187 126.806 -4.619 25957 1344 1 6 . 1 1 25 25 PHE CA C 25 50.994 50.994 55.251 -4.256 25957 1345 1 6 . 1 1 25 25 PHE CB C 25 36.591 36.591 40.550 -3.959 25957 1346 1 6 . 1 1 25 25 PHE H H 25 8.316 8.316 8.085 0.231 25957 1347 1 6 . 1 1 26 26 ILE N N 26 123.106 123.106 126.206 -3.100 25957 1348 1 6 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.506 0.120 25957 1349 1 6 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.054 -5.668 25957 1350 1 6 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.987 -5.131 25957 1351 1 6 . 1 1 26 26 ILE H H 26 9.104 9.104 8.291 0.813 25957 1352 1 6 . 1 1 27 27 LYS N N 27 127.012 127.012 128.128 -1.116 25957 1353 1 6 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.577 -0.360 25957 1354 1 6 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.960 -3.409 25957 1355 1 6 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.454 -5.511 25957 1356 1 6 . 1 1 27 27 LYS H H 27 8.317 8.317 8.285 0.032 25957 1357 1 6 . 1 1 28 28 CYS N N 28 119.357 119.357 123.129 -3.772 25957 1358 1 6 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.885 -0.322 25957 1359 1 6 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.644 -5.337 25957 1360 1 6 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.327 8.507 25957 1361 1 6 . 1 1 28 28 CYS H H 28 8.402 8.402 8.855 -0.453 25957 1362 1 6 . 1 1 30 30 LYS N N 30 116.694 116.694 116.649 0.045 25957 1363 1 6 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.466 -0.491 25957 1364 1 6 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.535 -4.646 25957 1365 1 6 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.647 -5.165 25957 1366 1 6 . 1 1 30 30 LYS H H 30 8.007 8.007 8.445 -0.438 25957 1367 1 6 . 1 1 31 31 PHE N N 31 117.093 117.093 119.877 -2.784 25957 1368 1 6 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.596 -0.094 25957 1369 1 6 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.057 -5.622 25957 1370 1 6 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.617 -5.636 25957 1371 1 6 . 1 1 31 31 PHE H H 31 6.453 6.453 7.660 -1.207 25957 1372 1 6 . 1 1 32 32 ASP N N 32 121.556 121.556 121.227 0.329 25957 1373 1 6 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.363 -0.204 25957 1374 1 6 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.901 -5.620 25957 1375 1 6 . 1 1 32 32 ASP H H 32 8.788 8.788 7.726 1.062 25957 1376 1 6 . 1 1 33 33 ASN N N 33 113.280 113.280 116.735 -3.455 25957 1377 1 6 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.253 0.314 25957 1378 1 6 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.806 -6.059 25957 1379 1 6 . 1 1 33 33 ASN CB C 33 32.172 32.172 37.994 -5.822 25957 1380 1 6 . 1 1 33 33 ASN H H 33 8.446 8.446 8.641 -0.195 25957 1381 1 6 . 1 1 34 34 LYS N N 34 117.362 117.362 116.450 0.912 25957 1382 1 6 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.446 0.400 25957 1383 1 6 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.553 -5.644 25957 1384 1 6 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.524 -3.378 25957 1385 1 6 . 1 1 34 34 LYS H H 34 7.652 7.652 7.701 -0.049 25957 1386 1 6 . 1 1 35 35 LYS N N 35 116.833 116.833 118.974 -2.141 25957 1387 1 6 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.442 0.070 25957 1388 1 6 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.071 -5.333 25957 1389 1 6 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.147 -5.011 25957 1390 1 6 . 1 1 35 35 LYS H H 35 6.918 6.918 7.659 -0.741 25957 1391 1 6 . 1 1 36 36 CYS N N 36 117.631 117.631 121.351 -3.720 25957 1392 1 6 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.783 -0.078 25957 1393 1 6 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.726 7.355 25957 1394 1 6 . 1 1 36 36 CYS H H 36 8.542 8.542 8.600 -0.058 25957 1395 1 6 . 1 1 37 37 THR N N 37 122.048 122.048 120.075 1.973 25957 1396 1 6 . 1 1 37 37 THR HA H 37 4.217 4.217 4.670 -0.453 25957 1397 1 6 . 1 1 37 37 THR CA C 37 57.923 57.923 60.092 -2.169 25957 1398 1 6 . 1 1 37 37 THR H H 37 10.132 10.132 8.155 1.977 25957 1399 1 6 . 1 1 38 38 LYS N N 38 122.048 122.048 121.534 0.514 25957 1400 1 6 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.076 0.080 25957 1401 1 6 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.156 -5.907 25957 1402 1 6 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.381 -3.509 25957 1403 1 6 . 1 1 38 38 LYS H H 38 7.254 7.254 8.397 -1.143 25957 1404 1 6 . 1 1 39 39 ASP N N 39 124.813 124.813 121.256 3.557 25957 1405 1 6 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.491 0.095 25957 1406 1 6 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.557 -7.539 25957 1407 1 6 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.634 -5.881 25957 1408 1 6 . 1 1 39 39 ASP H H 39 8.785 8.785 8.792 -0.007 25957 1409 1 6 . 1 1 40 40 ASN N N 40 114.848 114.848 116.080 -1.232 25957 1410 1 6 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.615 -0.345 25957 1411 1 6 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.389 -3.019 25957 1412 1 6 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.194 -6.667 25957 1413 1 6 . 1 1 40 40 ASN H H 40 9.453 9.453 8.321 1.132 25957 1414 1 6 . 1 1 41 41 ASN N N 41 120.276 120.276 118.579 1.697 25957 1415 1 6 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.498 0.199 25957 1416 1 6 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.995 -5.294 25957 1417 1 6 . 1 1 41 41 ASN H H 41 7.732 7.732 7.479 0.253 25957 1418 1 6 . 1 1 42 42 LYS N N 42 119.784 119.784 115.310 4.474 25957 1419 1 6 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.427 -0.040 25957 1420 1 6 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.624 -3.700 25957 1421 1 6 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.353 -5.394 25957 1422 1 6 . 1 1 42 42 LYS H H 42 8.513 8.513 8.181 0.332 25957 1423 1 6 . 1 1 43 43 CYS N N 43 114.096 114.096 120.170 -6.074 25957 1424 1 6 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.496 0.872 25957 1425 1 6 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.709 -11.296 25957 1426 1 6 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.483 17.086 25957 1427 1 6 . 1 1 43 43 CYS H H 43 7.547 7.547 8.217 -0.670 25957 1428 1 6 . 1 1 44 44 THR N N 44 113.240 113.240 121.743 -8.503 25957 1429 1 6 . 1 1 44 44 THR HA H 44 5.245 5.245 4.542 0.703 25957 1430 1 6 . 1 1 44 44 THR CA C 44 54.725 54.725 60.569 -5.844 25957 1431 1 6 . 1 1 44 44 THR CB C 44 66.847 66.847 71.832 -4.985 25957 1432 1 6 . 1 1 44 44 THR H H 44 9.020 9.020 8.157 0.863 25957 1433 1 6 . 1 1 45 45 VAL N N 45 121.946 121.946 121.321 0.625 25957 1434 1 6 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.238 0.270 25957 1435 1 6 . 1 1 45 45 VAL CA C 45 55.407 55.407 61.471 -6.064 25957 1436 1 6 . 1 1 45 45 VAL CB C 45 30.598 30.598 33.088 -2.490 25957 1437 1 6 . 1 1 45 45 VAL H H 45 8.583 8.583 8.164 0.419 25957 1438 1 6 . 1 1 46 46 ASP N N 46 126.557 126.557 127.989 -1.432 25957 1439 1 6 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.927 0.339 25957 1440 1 6 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.796 -7.016 25957 1441 1 6 . 1 1 46 46 ASP CB C 46 37.444 37.444 43.896 -6.452 25957 1442 1 6 . 1 1 46 46 ASP H H 46 8.574 8.574 8.266 0.308 25957 1443 1 6 . 1 1 47 47 THR N N 47 114.542 114.542 113.117 1.425 25957 1444 1 6 . 1 1 47 47 THR HA H 47 4.168 4.168 4.469 -0.301 25957 1445 1 6 . 1 1 47 47 THR CA C 47 58.063 58.063 60.957 -2.894 25957 1446 1 6 . 1 1 47 47 THR CB C 47 63.665 63.665 69.438 -5.773 25957 1447 1 6 . 1 1 47 47 THR H H 47 9.049 9.049 8.285 0.764 25957 1448 1 6 . 1 1 48 48 TYR N N 48 123.857 123.857 122.030 1.827 25957 1449 1 6 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.454 -0.058 25957 1450 1 6 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.879 -4.939 25957 1451 1 6 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.696 -5.581 25957 1452 1 6 . 1 1 48 48 TYR H H 48 8.829 8.829 8.168 0.661 25957 1453 1 6 . 1 1 49 49 ASN N N 49 113.728 113.728 116.257 -2.529 25957 1454 1 6 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.717 -0.222 25957 1455 1 6 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.060 -6.465 25957 1456 1 6 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.626 -5.486 25957 1457 1 6 . 1 1 49 49 ASN H H 49 7.480 7.480 8.423 -0.943 25957 1458 1 6 . 1 1 50 50 ASN N N 50 117.093 117.093 115.846 1.247 25957 1459 1 6 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.380 -0.164 25957 1460 1 6 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.822 -4.777 25957 1461 1 6 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.586 -5.944 25957 1462 1 6 . 1 1 50 50 ASN H H 50 7.916 7.916 8.005 -0.089 25957 1463 1 6 . 1 1 51 51 ALA N N 51 121.083 121.083 120.437 0.646 25957 1464 1 6 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.395 0.013 25957 1465 1 6 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.128 -5.045 25957 1466 1 6 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.665 -4.672 25957 1467 1 6 . 1 1 51 51 ALA H H 51 7.796 7.796 7.558 0.238 25957 1468 1 6 . 1 1 52 52 VAL N N 52 125.472 125.472 121.492 3.980 25957 1469 1 6 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.182 0.735 25957 1470 1 6 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.327 -6.038 25957 1471 1 6 . 1 1 52 52 VAL CB C 52 29.747 29.747 34.401 -4.654 25957 1472 1 6 . 1 1 52 52 VAL H H 52 8.247 8.247 7.979 0.268 25957 1473 1 6 . 1 1 53 53 ASP N N 53 125.852 125.852 124.559 1.293 25957 1474 1 6 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.733 0.201 25957 1475 1 6 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.163 -5.460 25957 1476 1 6 . 1 1 53 53 ASP CB C 53 38.218 38.218 38.798 -0.580 25957 1477 1 6 . 1 1 53 53 ASP H H 53 8.613 8.613 8.282 0.331 25957 1478 1 6 . 1 1 54 54 CYS N N 54 122.530 122.530 121.629 0.901 25957 1479 1 6 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.655 0.071 25957 1480 1 6 . 1 1 54 54 CYS CA C 54 50.854 50.854 59.071 -8.217 25957 1481 1 6 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.775 10.379 25957 1482 1 6 . 1 1 54 54 CYS H H 54 8.621 8.621 8.168 0.453 25957 1483 1 7 . 1 1 2 2 LYS N N 2 119.884 119.884 119.301 0.583 25957 1484 1 7 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.573 0.120 25957 1485 1 7 . 1 1 2 2 LYS H H 2 8.204 8.204 8.332 -0.128 25957 1486 1 7 . 1 1 3 3 TYR N N 3 122.994 122.994 119.799 3.195 25957 1487 1 7 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.691 0.149 25957 1488 1 7 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.425 -6.311 25957 1489 1 7 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.882 -4.889 25957 1490 1 7 . 1 1 3 3 TYR H H 3 8.958 8.958 8.011 0.947 25957 1491 1 7 . 1 1 4 4 THR N N 4 116.889 116.889 117.495 -0.606 25957 1492 1 7 . 1 1 4 4 THR HA H 4 5.047 5.047 4.511 0.536 25957 1493 1 7 . 1 1 4 4 THR CA C 4 56.171 56.171 61.759 -5.588 25957 1494 1 7 . 1 1 4 4 THR CB C 4 65.090 65.090 69.051 -3.961 25957 1495 1 7 . 1 1 4 4 THR H H 4 8.859 8.859 8.040 0.819 25957 1496 1 7 . 1 1 5 5 GLY N N 5 115.377 115.377 111.658 3.719 25957 1497 1 7 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.179 -4.727 25957 1498 1 7 . 1 1 5 5 GLY H H 5 9.107 9.107 7.939 1.168 25957 1499 1 7 . 1 1 6 6 LYS N N 6 121.194 121.194 117.688 3.506 25957 1500 1 7 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.124 0.269 25957 1501 1 7 . 1 1 6 6 LYS CA C 6 48.953 48.953 53.784 -4.831 25957 1502 1 7 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.021 -2.680 25957 1503 1 7 . 1 1 6 6 LYS H H 6 8.391 8.391 7.967 0.424 25957 1504 1 7 . 1 1 7 7 CYS N N 7 122.568 122.568 122.326 0.242 25957 1505 1 7 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.447 0.903 25957 1506 1 7 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.617 -8.869 25957 1507 1 7 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.764 9.199 25957 1508 1 7 . 1 1 7 7 CYS H H 7 9.802 9.802 8.720 1.082 25957 1509 1 7 . 1 1 8 8 THR N N 8 112.882 112.882 118.566 -5.684 25957 1510 1 7 . 1 1 8 8 THR HA H 8 4.715 4.715 4.626 0.089 25957 1511 1 7 . 1 1 8 8 THR CA C 8 54.652 54.652 61.009 -6.357 25957 1512 1 7 . 1 1 8 8 THR CB C 8 65.734 65.734 70.259 -4.525 25957 1513 1 7 . 1 1 8 8 THR H H 8 8.627 8.627 8.596 0.031 25957 1514 1 7 . 1 1 9 9 LYS N N 9 127.151 127.151 129.343 -2.192 25957 1515 1 7 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.212 -0.636 25957 1516 1 7 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.078 -3.539 25957 1517 1 7 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.965 -3.529 25957 1518 1 7 . 1 1 9 9 LYS H H 9 8.919 8.919 8.935 -0.016 25957 1519 1 7 . 1 1 10 10 SER N N 10 116.360 116.360 113.831 2.529 25957 1520 1 7 . 1 1 10 10 SER HA H 10 4.695 4.695 4.319 0.376 25957 1521 1 7 . 1 1 10 10 SER CB C 10 56.449 56.449 63.627 -7.178 25957 1522 1 7 . 1 1 10 10 SER H H 10 9.376 9.376 7.766 1.610 25957 1523 1 7 . 1 1 11 11 LYS N N 11 116.973 116.973 118.191 -1.218 25957 1524 1 7 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.427 -0.245 25957 1525 1 7 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.669 -5.010 25957 1526 1 7 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.931 -5.983 25957 1527 1 7 . 1 1 11 11 LYS H H 11 7.088 7.088 7.595 -0.507 25957 1528 1 7 . 1 1 12 12 ASN N N 12 120.352 120.352 117.888 2.464 25957 1529 1 7 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.461 0.134 25957 1530 1 7 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.441 -6.190 25957 1531 1 7 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.493 -5.618 25957 1532 1 7 . 1 1 12 12 ASN H H 12 7.592 7.592 8.524 -0.932 25957 1533 1 7 . 1 1 13 13 GLU N N 13 114.681 114.681 114.818 -0.137 25957 1534 1 7 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.240 -0.354 25957 1535 1 7 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.726 -5.202 25957 1536 1 7 . 1 1 13 13 GLU CB C 13 29.867 29.867 35.020 -5.153 25957 1537 1 7 . 1 1 13 13 GLU H H 13 7.234 7.234 7.623 -0.389 25957 1538 1 7 . 1 1 14 14 CYS N N 14 123.347 123.347 119.540 3.807 25957 1539 1 7 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.256 -0.609 25957 1540 1 7 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.075 -8.598 25957 1541 1 7 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.997 5.839 25957 1542 1 7 . 1 1 14 14 CYS H H 14 9.649 9.649 8.937 0.712 25957 1543 1 7 . 1 1 15 15 LYS N N 15 130.816 130.816 124.952 5.864 25957 1544 1 7 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.665 -0.717 25957 1545 1 7 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.736 -5.678 25957 1546 1 7 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.561 -6.548 25957 1547 1 7 . 1 1 15 15 LYS H H 15 8.650 8.650 8.708 -0.058 25957 1548 1 7 . 1 1 16 16 TYR N N 16 126.576 126.576 119.715 6.861 25957 1549 1 7 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.950 -0.016 25957 1550 1 7 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.651 -7.155 25957 1551 1 7 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.014 -5.113 25957 1552 1 7 . 1 1 16 16 TYR H H 16 8.995 8.995 7.949 1.046 25957 1553 1 7 . 1 1 17 17 LYS N N 17 120.916 120.916 121.570 -0.654 25957 1554 1 7 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.299 0.104 25957 1555 1 7 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.169 -5.979 25957 1556 1 7 . 1 1 17 17 LYS CB C 17 27.483 27.483 34.317 -6.834 25957 1557 1 7 . 1 1 17 17 LYS H H 17 8.399 8.399 8.814 -0.415 25957 1558 1 7 . 1 1 18 18 ASN N N 18 122.206 122.206 122.440 -0.234 25957 1559 1 7 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.684 -0.665 25957 1560 1 7 . 1 1 18 18 ASN CA C 18 45.661 45.661 52.312 -6.651 25957 1561 1 7 . 1 1 18 18 ASN CB C 18 32.624 32.624 40.017 -7.393 25957 1562 1 7 . 1 1 18 18 ASN H H 18 7.735 7.735 8.026 -0.291 25957 1563 1 7 . 1 1 19 19 SER N N 19 113.607 113.607 113.951 -0.344 25957 1564 1 7 . 1 1 19 19 SER HA H 19 4.695 4.695 4.184 0.511 25957 1565 1 7 . 1 1 19 19 SER CB C 19 57.917 57.917 63.042 -5.125 25957 1566 1 7 . 1 1 19 19 SER H H 19 8.196 8.196 8.574 -0.378 25957 1567 1 7 . 1 1 20 20 ALA N N 20 123.347 123.347 120.688 2.659 25957 1568 1 7 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.137 0.326 25957 1569 1 7 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.085 -6.874 25957 1570 1 7 . 1 1 20 20 ALA CB C 20 13.533 13.533 19.027 -5.494 25957 1571 1 7 . 1 1 20 20 ALA H H 20 7.409 7.409 8.240 -0.831 25957 1572 1 7 . 1 1 21 21 GLY N N 21 107.557 107.557 105.287 2.270 25957 1573 1 7 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.115 -4.967 25957 1574 1 7 . 1 1 21 21 GLY H H 21 8.162 8.162 7.776 0.386 25957 1575 1 7 . 1 1 22 22 LYS N N 22 120.341 120.341 121.266 -0.925 25957 1576 1 7 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.388 -0.061 25957 1577 1 7 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.863 -6.833 25957 1578 1 7 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.942 -5.464 25957 1579 1 7 . 1 1 22 22 LYS H H 22 7.621 7.621 7.681 -0.060 25957 1580 1 7 . 1 1 23 23 ASP N N 23 126.799 126.799 121.035 5.764 25957 1581 1 7 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.684 -0.365 25957 1582 1 7 . 1 1 23 23 ASP CA C 23 50.387 50.387 53.134 -2.747 25957 1583 1 7 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.187 -5.763 25957 1584 1 7 . 1 1 23 23 ASP H H 23 8.636 8.636 8.334 0.302 25957 1585 1 7 . 1 1 24 24 THR N N 24 122.688 122.688 117.288 5.400 25957 1586 1 7 . 1 1 24 24 THR HA H 24 4.045 4.045 4.562 -0.517 25957 1587 1 7 . 1 1 24 24 THR CA C 24 56.539 56.539 61.146 -4.607 25957 1588 1 7 . 1 1 24 24 THR CB C 24 65.315 65.315 70.198 -4.883 25957 1589 1 7 . 1 1 24 24 THR H H 24 8.791 8.791 7.876 0.915 25957 1590 1 7 . 1 1 25 25 PHE N N 25 122.187 122.187 124.424 -2.237 25957 1591 1 7 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.941 -3.946 25957 1592 1 7 . 1 1 25 25 PHE CB C 25 36.591 36.591 40.721 -4.130 25957 1593 1 7 . 1 1 25 25 PHE H H 25 8.316 8.316 7.731 0.585 25957 1594 1 7 . 1 1 26 26 ILE N N 26 123.106 123.106 124.447 -1.341 25957 1595 1 7 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.600 0.026 25957 1596 1 7 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.678 -5.292 25957 1597 1 7 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.967 -5.111 25957 1598 1 7 . 1 1 26 26 ILE H H 26 9.104 9.104 9.176 -0.072 25957 1599 1 7 . 1 1 27 27 LYS N N 27 127.012 127.012 127.970 -0.958 25957 1600 1 7 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.807 -0.590 25957 1601 1 7 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.485 -2.934 25957 1602 1 7 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.699 -5.756 25957 1603 1 7 . 1 1 27 27 LYS H H 27 8.317 8.317 8.363 -0.046 25957 1604 1 7 . 1 1 28 28 CYS N N 28 119.357 119.357 121.486 -2.129 25957 1605 1 7 . 1 1 28 28 CYS HA H 28 4.563 4.563 5.012 -0.449 25957 1606 1 7 . 1 1 28 28 CYS CA C 28 51.307 51.307 55.899 -4.592 25957 1607 1 7 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.273 7.561 25957 1608 1 7 . 1 1 28 28 CYS H H 28 8.402 8.402 8.510 -0.108 25957 1609 1 7 . 1 1 30 30 LYS N N 30 116.694 116.694 116.591 0.103 25957 1610 1 7 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.466 -0.491 25957 1611 1 7 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.587 -4.697 25957 1612 1 7 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.690 -5.208 25957 1613 1 7 . 1 1 30 30 LYS H H 30 8.007 8.007 8.401 -0.394 25957 1614 1 7 . 1 1 31 31 PHE N N 31 117.093 117.093 120.141 -3.048 25957 1615 1 7 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.519 -0.017 25957 1616 1 7 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.210 -5.775 25957 1617 1 7 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.423 -6.442 25957 1618 1 7 . 1 1 31 31 PHE H H 31 6.453 6.453 7.747 -1.294 25957 1619 1 7 . 1 1 32 32 ASP N N 32 121.556 121.556 119.869 1.687 25957 1620 1 7 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.295 -0.136 25957 1621 1 7 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.891 -5.610 25957 1622 1 7 . 1 1 32 32 ASP H H 32 8.788 8.788 7.690 1.098 25957 1623 1 7 . 1 1 33 33 ASN N N 33 113.280 113.280 115.587 -2.307 25957 1624 1 7 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.219 0.348 25957 1625 1 7 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.672 -5.925 25957 1626 1 7 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.112 -5.940 25957 1627 1 7 . 1 1 33 33 ASN H H 33 8.446 8.446 8.652 -0.206 25957 1628 1 7 . 1 1 34 34 LYS N N 34 117.362 117.362 116.275 1.087 25957 1629 1 7 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.415 0.431 25957 1630 1 7 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.808 -5.899 25957 1631 1 7 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.877 -3.731 25957 1632 1 7 . 1 1 34 34 LYS H H 34 7.652 7.652 7.555 0.097 25957 1633 1 7 . 1 1 35 35 LYS N N 35 116.833 116.833 118.149 -1.316 25957 1634 1 7 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.463 0.049 25957 1635 1 7 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.372 -5.634 25957 1636 1 7 . 1 1 35 35 LYS CB C 35 28.136 28.136 34.065 -5.929 25957 1637 1 7 . 1 1 35 35 LYS H H 35 6.918 6.918 7.679 -0.761 25957 1638 1 7 . 1 1 36 36 CYS N N 36 117.631 117.631 121.805 -4.174 25957 1639 1 7 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.855 -0.150 25957 1640 1 7 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.476 7.605 25957 1641 1 7 . 1 1 36 36 CYS H H 36 8.542 8.542 8.704 -0.162 25957 1642 1 7 . 1 1 37 37 THR N N 37 122.048 122.048 119.746 2.302 25957 1643 1 7 . 1 1 37 37 THR HA H 37 4.217 4.217 4.610 -0.393 25957 1644 1 7 . 1 1 37 37 THR CA C 37 57.923 57.923 59.691 -1.768 25957 1645 1 7 . 1 1 37 37 THR H H 37 10.132 10.132 8.209 1.923 25957 1646 1 7 . 1 1 38 38 LYS N N 38 122.048 122.048 121.161 0.887 25957 1647 1 7 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.059 0.097 25957 1648 1 7 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.450 -6.201 25957 1649 1 7 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.534 -3.662 25957 1650 1 7 . 1 1 38 38 LYS H H 38 7.254 7.254 8.291 -1.037 25957 1651 1 7 . 1 1 39 39 ASP N N 39 124.813 124.813 121.139 3.674 25957 1652 1 7 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.452 0.134 25957 1653 1 7 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.557 -7.539 25957 1654 1 7 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.752 -5.998 25957 1655 1 7 . 1 1 39 39 ASP H H 39 8.785 8.785 8.684 0.101 25957 1656 1 7 . 1 1 40 40 ASN N N 40 114.848 114.848 116.665 -1.817 25957 1657 1 7 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.627 -0.357 25957 1658 1 7 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.677 -3.307 25957 1659 1 7 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.390 -6.863 25957 1660 1 7 . 1 1 40 40 ASN H H 40 9.453 9.453 8.145 1.308 25957 1661 1 7 . 1 1 41 41 ASN N N 41 120.276 120.276 119.219 1.057 25957 1662 1 7 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.496 0.201 25957 1663 1 7 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.016 -5.315 25957 1664 1 7 . 1 1 41 41 ASN H H 41 7.732 7.732 8.050 -0.318 25957 1665 1 7 . 1 1 42 42 LYS N N 42 119.784 119.784 115.517 4.267 25957 1666 1 7 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.414 -0.027 25957 1667 1 7 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.641 -3.717 25957 1668 1 7 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.294 -5.335 25957 1669 1 7 . 1 1 42 42 LYS H H 42 8.513 8.513 8.180 0.333 25957 1670 1 7 . 1 1 43 43 CYS N N 43 114.096 114.096 120.422 -6.326 25957 1671 1 7 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.495 0.873 25957 1672 1 7 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.502 -11.089 25957 1673 1 7 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.243 17.326 25957 1674 1 7 . 1 1 43 43 CYS H H 43 7.547 7.547 8.169 -0.622 25957 1675 1 7 . 1 1 44 44 THR N N 44 113.240 113.240 122.094 -8.854 25957 1676 1 7 . 1 1 44 44 THR HA H 44 5.245 5.245 4.526 0.719 25957 1677 1 7 . 1 1 44 44 THR CA C 44 54.725 54.725 60.659 -5.934 25957 1678 1 7 . 1 1 44 44 THR CB C 44 66.847 66.847 71.894 -5.047 25957 1679 1 7 . 1 1 44 44 THR H H 44 9.020 9.020 8.076 0.944 25957 1680 1 7 . 1 1 45 45 VAL N N 45 121.946 121.946 120.795 1.151 25957 1681 1 7 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.217 0.291 25957 1682 1 7 . 1 1 45 45 VAL CA C 45 55.407 55.407 61.075 -5.668 25957 1683 1 7 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.579 -1.981 25957 1684 1 7 . 1 1 45 45 VAL H H 45 8.583 8.583 8.044 0.539 25957 1685 1 7 . 1 1 46 46 ASP N N 46 126.557 126.557 128.333 -1.776 25957 1686 1 7 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.012 0.254 25957 1687 1 7 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.541 -6.761 25957 1688 1 7 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.546 -7.102 25957 1689 1 7 . 1 1 46 46 ASP H H 46 8.574 8.574 8.548 0.026 25957 1690 1 7 . 1 1 47 47 THR N N 47 114.542 114.542 114.535 0.007 25957 1691 1 7 . 1 1 47 47 THR HA H 47 4.168 4.168 4.558 -0.390 25957 1692 1 7 . 1 1 47 47 THR CA C 47 58.063 58.063 62.353 -4.290 25957 1693 1 7 . 1 1 47 47 THR CB C 47 63.665 63.665 69.580 -5.915 25957 1694 1 7 . 1 1 47 47 THR H H 47 9.049 9.049 8.490 0.559 25957 1695 1 7 . 1 1 48 48 TYR N N 48 123.857 123.857 122.150 1.707 25957 1696 1 7 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.443 -0.047 25957 1697 1 7 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.266 -5.326 25957 1698 1 7 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.471 -5.356 25957 1699 1 7 . 1 1 48 48 TYR H H 48 8.829 8.829 8.123 0.706 25957 1700 1 7 . 1 1 49 49 ASN N N 49 113.728 113.728 116.230 -2.502 25957 1701 1 7 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.800 -0.305 25957 1702 1 7 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.787 -6.192 25957 1703 1 7 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.123 -4.983 25957 1704 1 7 . 1 1 49 49 ASN H H 49 7.480 7.480 8.277 -0.797 25957 1705 1 7 . 1 1 50 50 ASN N N 50 117.093 117.093 113.774 3.319 25957 1706 1 7 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.329 -0.113 25957 1707 1 7 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.189 -5.144 25957 1708 1 7 . 1 1 50 50 ASN CB C 50 31.642 31.642 36.465 -4.824 25957 1709 1 7 . 1 1 50 50 ASN H H 50 7.916 7.916 7.693 0.223 25957 1710 1 7 . 1 1 51 51 ALA N N 51 121.083 121.083 120.504 0.579 25957 1711 1 7 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.519 -0.111 25957 1712 1 7 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.310 -4.228 25957 1713 1 7 . 1 1 51 51 ALA CB C 51 14.993 14.993 21.340 -6.347 25957 1714 1 7 . 1 1 51 51 ALA H H 51 7.796 7.796 7.380 0.416 25957 1715 1 7 . 1 1 52 52 VAL N N 52 125.472 125.472 120.403 5.069 25957 1716 1 7 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.162 0.755 25957 1717 1 7 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.934 -6.645 25957 1718 1 7 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.574 -2.827 25957 1719 1 7 . 1 1 52 52 VAL H H 52 8.247 8.247 7.984 0.263 25957 1720 1 7 . 1 1 53 53 ASP N N 53 125.852 125.852 121.623 4.229 25957 1721 1 7 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.731 0.203 25957 1722 1 7 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.267 -5.564 25957 1723 1 7 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.001 -0.783 25957 1724 1 7 . 1 1 53 53 ASP H H 53 8.613 8.613 8.318 0.295 25957 1725 1 7 . 1 1 54 54 CYS N N 54 122.530 122.530 121.890 0.640 25957 1726 1 7 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.641 0.085 25957 1727 1 7 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.999 -8.145 25957 1728 1 7 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.833 10.321 25957 1729 1 7 . 1 1 54 54 CYS H H 54 8.621 8.621 8.195 0.426 25957 1730 1 8 . 1 1 2 2 LYS N N 2 119.884 119.884 119.620 0.264 25957 1731 1 8 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.616 0.077 25957 1732 1 8 . 1 1 2 2 LYS H H 2 8.204 8.204 8.335 -0.131 25957 1733 1 8 . 1 1 3 3 TYR N N 3 122.994 122.994 119.499 3.495 25957 1734 1 8 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.712 0.128 25957 1735 1 8 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.346 -6.232 25957 1736 1 8 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.284 -5.291 25957 1737 1 8 . 1 1 3 3 TYR H H 3 8.958 8.958 8.006 0.952 25957 1738 1 8 . 1 1 4 4 THR N N 4 116.889 116.889 118.167 -1.278 25957 1739 1 8 . 1 1 4 4 THR HA H 4 5.047 5.047 4.510 0.537 25957 1740 1 8 . 1 1 4 4 THR CA C 4 56.171 56.171 61.975 -5.804 25957 1741 1 8 . 1 1 4 4 THR CB C 4 65.090 65.090 69.225 -4.135 25957 1742 1 8 . 1 1 4 4 THR H H 4 8.859 8.859 8.641 0.218 25957 1743 1 8 . 1 1 5 5 GLY N N 5 115.377 115.377 111.512 3.865 25957 1744 1 8 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.026 -4.574 25957 1745 1 8 . 1 1 5 5 GLY H H 5 9.107 9.107 7.932 1.175 25957 1746 1 8 . 1 1 6 6 LYS N N 6 121.194 121.194 117.339 3.855 25957 1747 1 8 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.176 0.217 25957 1748 1 8 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.631 -5.678 25957 1749 1 8 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.668 -3.327 25957 1750 1 8 . 1 1 6 6 LYS H H 6 8.391 8.391 7.832 0.559 25957 1751 1 8 . 1 1 7 7 CYS N N 7 122.568 122.568 122.735 -0.167 25957 1752 1 8 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.411 0.939 25957 1753 1 8 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.588 -8.840 25957 1754 1 8 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.742 10.221 25957 1755 1 8 . 1 1 7 7 CYS H H 7 9.802 9.802 8.726 1.076 25957 1756 1 8 . 1 1 8 8 THR N N 8 112.882 112.882 119.288 -6.406 25957 1757 1 8 . 1 1 8 8 THR HA H 8 4.715 4.715 4.590 0.125 25957 1758 1 8 . 1 1 8 8 THR CA C 8 54.652 54.652 60.386 -5.734 25957 1759 1 8 . 1 1 8 8 THR CB C 8 65.734 65.734 70.595 -4.861 25957 1760 1 8 . 1 1 8 8 THR H H 8 8.627 8.627 8.366 0.261 25957 1761 1 8 . 1 1 9 9 LYS N N 9 127.151 127.151 129.248 -2.097 25957 1762 1 8 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.086 -0.510 25957 1763 1 8 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.467 -3.928 25957 1764 1 8 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.071 -3.635 25957 1765 1 8 . 1 1 9 9 LYS H H 9 8.919 8.919 8.957 -0.038 25957 1766 1 8 . 1 1 10 10 SER N N 10 116.360 116.360 114.697 1.663 25957 1767 1 8 . 1 1 10 10 SER HA H 10 4.695 4.695 4.293 0.402 25957 1768 1 8 . 1 1 10 10 SER CB C 10 56.449 56.449 63.350 -6.901 25957 1769 1 8 . 1 1 10 10 SER H H 10 9.376 9.376 7.695 1.681 25957 1770 1 8 . 1 1 11 11 LYS N N 11 116.973 116.973 118.674 -1.701 25957 1771 1 8 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.482 -0.300 25957 1772 1 8 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.553 -4.893 25957 1773 1 8 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.299 -5.351 25957 1774 1 8 . 1 1 11 11 LYS H H 11 7.088 7.088 7.639 -0.551 25957 1775 1 8 . 1 1 12 12 ASN N N 12 120.352 120.352 117.035 3.317 25957 1776 1 8 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.332 0.263 25957 1777 1 8 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.648 -6.397 25957 1778 1 8 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.631 -5.756 25957 1779 1 8 . 1 1 12 12 ASN H H 12 7.592 7.592 8.285 -0.693 25957 1780 1 8 . 1 1 13 13 GLU N N 13 114.681 114.681 115.455 -0.774 25957 1781 1 8 . 1 1 13 13 GLU HA H 13 4.886 4.886 4.969 -0.083 25957 1782 1 8 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.365 -4.841 25957 1783 1 8 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.392 -3.525 25957 1784 1 8 . 1 1 13 13 GLU H H 13 7.234 7.234 7.547 -0.313 25957 1785 1 8 . 1 1 14 14 CYS N N 14 123.347 123.347 119.121 4.226 25957 1786 1 8 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.147 -0.500 25957 1787 1 8 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.054 -8.577 25957 1788 1 8 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.598 6.238 25957 1789 1 8 . 1 1 14 14 CYS H H 14 9.649 9.649 8.442 1.207 25957 1790 1 8 . 1 1 15 15 LYS N N 15 130.816 130.816 124.461 6.355 25957 1791 1 8 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.660 -0.712 25957 1792 1 8 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.818 -5.760 25957 1793 1 8 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.368 -6.356 25957 1794 1 8 . 1 1 15 15 LYS H H 15 8.650 8.650 8.559 0.091 25957 1795 1 8 . 1 1 16 16 TYR N N 16 126.576 126.576 121.822 4.754 25957 1796 1 8 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.864 0.070 25957 1797 1 8 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.350 -6.854 25957 1798 1 8 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.485 -4.584 25957 1799 1 8 . 1 1 16 16 TYR H H 16 8.995 8.995 8.044 0.951 25957 1800 1 8 . 1 1 17 17 LYS N N 17 120.916 120.916 121.915 -0.999 25957 1801 1 8 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.237 0.166 25957 1802 1 8 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.371 -6.181 25957 1803 1 8 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.159 -5.676 25957 1804 1 8 . 1 1 17 17 LYS H H 17 8.399 8.399 8.873 -0.474 25957 1805 1 8 . 1 1 18 18 ASN N N 18 122.206 122.206 120.596 1.610 25957 1806 1 8 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.404 -0.385 25957 1807 1 8 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.723 -6.062 25957 1808 1 8 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.943 -7.319 25957 1809 1 8 . 1 1 18 18 ASN H H 18 7.735 7.735 8.208 -0.473 25957 1810 1 8 . 1 1 19 19 SER N N 19 113.607 113.607 115.613 -2.006 25957 1811 1 8 . 1 1 19 19 SER HA H 19 4.695 4.695 4.198 0.497 25957 1812 1 8 . 1 1 19 19 SER CB C 19 57.917 57.917 63.060 -5.143 25957 1813 1 8 . 1 1 19 19 SER H H 19 8.196 8.196 8.563 -0.367 25957 1814 1 8 . 1 1 20 20 ALA N N 20 123.347 123.347 120.976 2.371 25957 1815 1 8 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.213 0.250 25957 1816 1 8 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.071 -6.860 25957 1817 1 8 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.570 -5.037 25957 1818 1 8 . 1 1 20 20 ALA H H 20 7.409 7.409 8.048 -0.639 25957 1819 1 8 . 1 1 21 21 GLY N N 21 107.557 107.557 104.482 3.075 25957 1820 1 8 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.406 -5.258 25957 1821 1 8 . 1 1 21 21 GLY H H 21 8.162 8.162 7.462 0.700 25957 1822 1 8 . 1 1 22 22 LYS N N 22 120.341 120.341 123.207 -2.866 25957 1823 1 8 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.341 -0.014 25957 1824 1 8 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.471 -6.441 25957 1825 1 8 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.340 -4.862 25957 1826 1 8 . 1 1 22 22 LYS H H 22 7.621 7.621 7.781 -0.160 25957 1827 1 8 . 1 1 23 23 ASP N N 23 126.799 126.799 123.709 3.090 25957 1828 1 8 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.279 0.040 25957 1829 1 8 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.352 -3.965 25957 1830 1 8 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.217 -5.793 25957 1831 1 8 . 1 1 23 23 ASP H H 23 8.636 8.636 8.448 0.188 25957 1832 1 8 . 1 1 24 24 THR N N 24 122.688 122.688 116.893 5.795 25957 1833 1 8 . 1 1 24 24 THR HA H 24 4.045 4.045 4.630 -0.585 25957 1834 1 8 . 1 1 24 24 THR CA C 24 56.539 56.539 61.190 -4.651 25957 1835 1 8 . 1 1 24 24 THR CB C 24 65.315 65.315 70.460 -5.145 25957 1836 1 8 . 1 1 24 24 THR H H 24 8.791 8.791 7.849 0.942 25957 1837 1 8 . 1 1 25 25 PHE N N 25 122.187 122.187 125.523 -3.336 25957 1838 1 8 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.894 -3.900 25957 1839 1 8 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.949 -5.358 25957 1840 1 8 . 1 1 25 25 PHE H H 25 8.316 8.316 7.849 0.467 25957 1841 1 8 . 1 1 26 26 ILE N N 26 123.106 123.106 123.701 -0.595 25957 1842 1 8 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.517 0.109 25957 1843 1 8 . 1 1 26 26 ILE CA C 26 54.386 54.386 61.246 -6.860 25957 1844 1 8 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.932 -5.076 25957 1845 1 8 . 1 1 26 26 ILE H H 26 9.104 9.104 8.515 0.589 25957 1846 1 8 . 1 1 27 27 LYS N N 27 127.012 127.012 126.927 0.085 25957 1847 1 8 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.534 -0.317 25957 1848 1 8 . 1 1 27 27 LYS CA C 27 52.551 52.551 56.943 -4.392 25957 1849 1 8 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.077 -6.134 25957 1850 1 8 . 1 1 27 27 LYS H H 27 8.317 8.317 8.367 -0.050 25957 1851 1 8 . 1 1 28 28 CYS N N 28 119.357 119.357 123.802 -4.445 25957 1852 1 8 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.949 -0.386 25957 1853 1 8 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.474 -5.167 25957 1854 1 8 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.095 7.739 25957 1855 1 8 . 1 1 28 28 CYS H H 28 8.402 8.402 8.662 -0.260 25957 1856 1 8 . 1 1 30 30 LYS N N 30 116.694 116.694 116.661 0.033 25957 1857 1 8 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.459 -0.484 25957 1858 1 8 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.638 -4.749 25957 1859 1 8 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.672 -5.191 25957 1860 1 8 . 1 1 30 30 LYS H H 30 8.007 8.007 8.448 -0.441 25957 1861 1 8 . 1 1 31 31 PHE N N 31 117.093 117.093 119.754 -2.661 25957 1862 1 8 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.576 -0.074 25957 1863 1 8 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.254 -5.819 25957 1864 1 8 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.737 -5.756 25957 1865 1 8 . 1 1 31 31 PHE H H 31 6.453 6.453 7.722 -1.269 25957 1866 1 8 . 1 1 32 32 ASP N N 32 121.556 121.556 120.859 0.697 25957 1867 1 8 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.380 -0.221 25957 1868 1 8 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.119 -5.838 25957 1869 1 8 . 1 1 32 32 ASP H H 32 8.788 8.788 7.820 0.968 25957 1870 1 8 . 1 1 33 33 ASN N N 33 113.280 113.280 117.141 -3.861 25957 1871 1 8 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.255 0.312 25957 1872 1 8 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.769 -6.022 25957 1873 1 8 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.208 -6.036 25957 1874 1 8 . 1 1 33 33 ASN H H 33 8.446 8.446 8.790 -0.344 25957 1875 1 8 . 1 1 34 34 LYS N N 34 117.362 117.362 116.371 0.991 25957 1876 1 8 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.391 0.455 25957 1877 1 8 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.787 -5.878 25957 1878 1 8 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.798 -3.652 25957 1879 1 8 . 1 1 34 34 LYS H H 34 7.652 7.652 7.564 0.088 25957 1880 1 8 . 1 1 35 35 LYS N N 35 116.833 116.833 118.811 -1.978 25957 1881 1 8 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.423 0.089 25957 1882 1 8 . 1 1 35 35 LYS CA C 35 49.738 49.738 54.767 -5.029 25957 1883 1 8 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.491 -5.355 25957 1884 1 8 . 1 1 35 35 LYS H H 35 6.918 6.918 7.682 -0.764 25957 1885 1 8 . 1 1 36 36 CYS N N 36 117.631 117.631 121.196 -3.565 25957 1886 1 8 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.764 -0.059 25957 1887 1 8 . 1 1 36 36 CYS CB C 36 36.081 36.081 29.630 6.451 25957 1888 1 8 . 1 1 36 36 CYS H H 36 8.542 8.542 8.644 -0.102 25957 1889 1 8 . 1 1 37 37 THR N N 37 122.048 122.048 119.770 2.278 25957 1890 1 8 . 1 1 37 37 THR HA H 37 4.217 4.217 4.646 -0.429 25957 1891 1 8 . 1 1 37 37 THR CA C 37 57.923 57.923 60.183 -2.260 25957 1892 1 8 . 1 1 37 37 THR H H 37 10.132 10.132 8.135 1.997 25957 1893 1 8 . 1 1 38 38 LYS N N 38 122.048 122.048 121.312 0.736 25957 1894 1 8 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.099 0.057 25957 1895 1 8 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.480 -6.231 25957 1896 1 8 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.500 -3.628 25957 1897 1 8 . 1 1 38 38 LYS H H 38 7.254 7.254 8.313 -1.059 25957 1898 1 8 . 1 1 39 39 ASP N N 39 124.813 124.813 121.314 3.499 25957 1899 1 8 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.546 0.040 25957 1900 1 8 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.670 -7.652 25957 1901 1 8 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.677 -5.924 25957 1902 1 8 . 1 1 39 39 ASP H H 39 8.785 8.785 8.763 0.022 25957 1903 1 8 . 1 1 40 40 ASN N N 40 114.848 114.848 116.302 -1.454 25957 1904 1 8 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.601 -0.331 25957 1905 1 8 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.275 -2.905 25957 1906 1 8 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.267 -6.740 25957 1907 1 8 . 1 1 40 40 ASN H H 40 9.453 9.453 8.381 1.072 25957 1908 1 8 . 1 1 41 41 ASN N N 41 120.276 120.276 118.495 1.781 25957 1909 1 8 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.490 0.207 25957 1910 1 8 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.906 -5.205 25957 1911 1 8 . 1 1 41 41 ASN H H 41 7.732 7.732 8.112 -0.380 25957 1912 1 8 . 1 1 42 42 LYS N N 42 119.784 119.784 116.032 3.752 25957 1913 1 8 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.415 -0.028 25957 1914 1 8 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.485 -3.561 25957 1915 1 8 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.828 -4.869 25957 1916 1 8 . 1 1 42 42 LYS H H 42 8.513 8.513 8.226 0.287 25957 1917 1 8 . 1 1 43 43 CYS N N 43 114.096 114.096 120.528 -6.432 25957 1918 1 8 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.497 0.871 25957 1919 1 8 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.771 -11.358 25957 1920 1 8 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.124 17.445 25957 1921 1 8 . 1 1 43 43 CYS H H 43 7.547 7.547 8.213 -0.666 25957 1922 1 8 . 1 1 44 44 THR N N 44 113.240 113.240 121.361 -8.121 25957 1923 1 8 . 1 1 44 44 THR HA H 44 5.245 5.245 4.486 0.759 25957 1924 1 8 . 1 1 44 44 THR CA C 44 54.725 54.725 60.522 -5.797 25957 1925 1 8 . 1 1 44 44 THR CB C 44 66.847 66.847 71.996 -5.149 25957 1926 1 8 . 1 1 44 44 THR H H 44 9.020 9.020 7.981 1.039 25957 1927 1 8 . 1 1 45 45 VAL N N 45 121.946 121.946 121.806 0.140 25957 1928 1 8 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.516 -0.008 25957 1929 1 8 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.885 -5.478 25957 1930 1 8 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.831 -2.233 25957 1931 1 8 . 1 1 45 45 VAL H H 45 8.583 8.583 8.022 0.561 25957 1932 1 8 . 1 1 46 46 ASP N N 46 126.557 126.557 129.146 -2.589 25957 1933 1 8 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.953 0.313 25957 1934 1 8 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.925 -7.145 25957 1935 1 8 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.126 -6.682 25957 1936 1 8 . 1 1 46 46 ASP H H 46 8.574 8.574 8.272 0.302 25957 1937 1 8 . 1 1 47 47 THR N N 47 114.542 114.542 112.960 1.582 25957 1938 1 8 . 1 1 47 47 THR HA H 47 4.168 4.168 4.494 -0.326 25957 1939 1 8 . 1 1 47 47 THR CA C 47 58.063 58.063 61.055 -2.992 25957 1940 1 8 . 1 1 47 47 THR CB C 47 63.665 63.665 69.335 -5.670 25957 1941 1 8 . 1 1 47 47 THR H H 47 9.049 9.049 8.292 0.757 25957 1942 1 8 . 1 1 48 48 TYR N N 48 123.857 123.857 121.096 2.761 25957 1943 1 8 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.474 -0.078 25957 1944 1 8 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.935 -4.995 25957 1945 1 8 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.554 -5.439 25957 1946 1 8 . 1 1 48 48 TYR H H 48 8.829 8.829 8.120 0.709 25957 1947 1 8 . 1 1 49 49 ASN N N 49 113.728 113.728 116.142 -2.414 25957 1948 1 8 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.717 -0.222 25957 1949 1 8 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.060 -6.465 25957 1950 1 8 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.660 -5.520 25957 1951 1 8 . 1 1 49 49 ASN H H 49 7.480 7.480 8.353 -0.873 25957 1952 1 8 . 1 1 50 50 ASN N N 50 117.093 117.093 115.034 2.059 25957 1953 1 8 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.392 -0.176 25957 1954 1 8 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.926 -4.881 25957 1955 1 8 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.519 -5.877 25957 1956 1 8 . 1 1 50 50 ASN H H 50 7.916 7.916 7.962 -0.046 25957 1957 1 8 . 1 1 51 51 ALA N N 51 121.083 121.083 120.400 0.683 25957 1958 1 8 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.422 -0.014 25957 1959 1 8 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.180 -5.097 25957 1960 1 8 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.159 -5.166 25957 1961 1 8 . 1 1 51 51 ALA H H 51 7.796 7.796 7.530 0.266 25957 1962 1 8 . 1 1 52 52 VAL N N 52 125.472 125.472 121.402 4.070 25957 1963 1 8 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.106 0.811 25957 1964 1 8 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.647 -6.358 25957 1965 1 8 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.854 -3.107 25957 1966 1 8 . 1 1 52 52 VAL H H 52 8.247 8.247 7.867 0.380 25957 1967 1 8 . 1 1 53 53 ASP N N 53 125.852 125.852 124.324 1.528 25957 1968 1 8 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.854 0.080 25957 1969 1 8 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.718 -6.015 25957 1970 1 8 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.316 -1.098 25957 1971 1 8 . 1 1 53 53 ASP H H 53 8.613 8.613 8.377 0.236 25957 1972 1 8 . 1 1 54 54 CYS N N 54 122.530 122.530 121.158 1.372 25957 1973 1 8 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.599 0.127 25957 1974 1 8 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.865 -8.011 25957 1975 1 8 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.111 10.043 25957 1976 1 8 . 1 1 54 54 CYS H H 54 8.621 8.621 8.153 0.468 25957 1977 1 9 . 1 1 2 2 LYS N N 2 119.884 119.884 120.835 -0.951 25957 1978 1 9 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.714 -0.021 25957 1979 1 9 . 1 1 2 2 LYS H H 2 8.204 8.204 8.775 -0.571 25957 1980 1 9 . 1 1 3 3 TYR N N 3 122.994 122.994 118.232 4.762 25957 1981 1 9 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.753 0.087 25957 1982 1 9 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.374 -6.260 25957 1983 1 9 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.570 -5.577 25957 1984 1 9 . 1 1 3 3 TYR H H 3 8.958 8.958 8.164 0.794 25957 1985 1 9 . 1 1 4 4 THR N N 4 116.889 116.889 118.485 -1.596 25957 1986 1 9 . 1 1 4 4 THR HA H 4 5.047 5.047 4.600 0.447 25957 1987 1 9 . 1 1 4 4 THR CA C 4 56.171 56.171 61.790 -5.619 25957 1988 1 9 . 1 1 4 4 THR CB C 4 65.090 65.090 68.917 -3.827 25957 1989 1 9 . 1 1 4 4 THR H H 4 8.859 8.859 8.463 0.396 25957 1990 1 9 . 1 1 5 5 GLY N N 5 115.377 115.377 112.171 3.206 25957 1991 1 9 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.282 -4.830 25957 1992 1 9 . 1 1 5 5 GLY H H 5 9.107 9.107 7.949 1.158 25957 1993 1 9 . 1 1 6 6 LYS N N 6 121.194 121.194 117.233 3.961 25957 1994 1 9 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.124 0.269 25957 1995 1 9 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.249 -5.296 25957 1996 1 9 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.570 -3.229 25957 1997 1 9 . 1 1 6 6 LYS H H 6 8.391 8.391 7.909 0.482 25957 1998 1 9 . 1 1 7 7 CYS N N 7 122.568 122.568 123.098 -0.530 25957 1999 1 9 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.433 0.917 25957 2000 1 9 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.739 -8.991 25957 2001 1 9 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.301 9.662 25957 2002 1 9 . 1 1 7 7 CYS H H 7 9.802 9.802 8.795 1.007 25957 2003 1 9 . 1 1 8 8 THR N N 8 112.882 112.882 119.162 -6.280 25957 2004 1 9 . 1 1 8 8 THR HA H 8 4.715 4.715 4.667 0.048 25957 2005 1 9 . 1 1 8 8 THR CA C 8 54.652 54.652 60.157 -5.505 25957 2006 1 9 . 1 1 8 8 THR CB C 8 65.734 65.734 70.329 -4.596 25957 2007 1 9 . 1 1 8 8 THR H H 8 8.627 8.627 8.611 0.016 25957 2008 1 9 . 1 1 9 9 LYS N N 9 127.151 127.151 128.946 -1.795 25957 2009 1 9 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.055 -0.479 25957 2010 1 9 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.682 -4.143 25957 2011 1 9 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.305 -3.869 25957 2012 1 9 . 1 1 9 9 LYS H H 9 8.919 8.919 8.999 -0.080 25957 2013 1 9 . 1 1 10 10 SER N N 10 116.360 116.360 114.290 2.070 25957 2014 1 9 . 1 1 10 10 SER HA H 10 4.695 4.695 4.265 0.430 25957 2015 1 9 . 1 1 10 10 SER CB C 10 56.449 56.449 63.369 -6.920 25957 2016 1 9 . 1 1 10 10 SER H H 10 9.376 9.376 7.757 1.619 25957 2017 1 9 . 1 1 11 11 LYS N N 11 116.973 116.973 117.518 -0.545 25957 2018 1 9 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.494 -0.312 25957 2019 1 9 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.568 -4.908 25957 2020 1 9 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.201 -5.253 25957 2021 1 9 . 1 1 11 11 LYS H H 11 7.088 7.088 7.767 -0.679 25957 2022 1 9 . 1 1 12 12 ASN N N 12 120.352 120.352 117.315 3.037 25957 2023 1 9 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.362 0.233 25957 2024 1 9 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.593 -6.342 25957 2025 1 9 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.541 -5.666 25957 2026 1 9 . 1 1 12 12 ASN H H 12 7.592 7.592 8.277 -0.685 25957 2027 1 9 . 1 1 13 13 GLU N N 13 114.681 114.681 115.293 -0.612 25957 2028 1 9 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.034 -0.148 25957 2029 1 9 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.396 -4.872 25957 2030 1 9 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.405 -3.538 25957 2031 1 9 . 1 1 13 13 GLU H H 13 7.234 7.234 7.577 -0.343 25957 2032 1 9 . 1 1 14 14 CYS N N 14 123.347 123.347 118.741 4.606 25957 2033 1 9 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.211 -0.564 25957 2034 1 9 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.184 -8.707 25957 2035 1 9 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.759 6.077 25957 2036 1 9 . 1 1 14 14 CYS H H 14 9.649 9.649 8.454 1.195 25957 2037 1 9 . 1 1 15 15 LYS N N 15 130.816 130.816 122.630 8.186 25957 2038 1 9 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.737 -0.789 25957 2039 1 9 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.777 -5.719 25957 2040 1 9 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.830 -6.817 25957 2041 1 9 . 1 1 15 15 LYS H H 15 8.650 8.650 8.309 0.341 25957 2042 1 9 . 1 1 16 16 TYR N N 16 126.576 126.576 119.949 6.627 25957 2043 1 9 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.978 -0.044 25957 2044 1 9 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.134 -6.638 25957 2045 1 9 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.588 -5.687 25957 2046 1 9 . 1 1 16 16 TYR H H 16 8.995 8.995 7.923 1.072 25957 2047 1 9 . 1 1 17 17 LYS N N 17 120.916 120.916 122.452 -1.536 25957 2048 1 9 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.256 0.147 25957 2049 1 9 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.527 -6.337 25957 2050 1 9 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.100 -5.617 25957 2051 1 9 . 1 1 17 17 LYS H H 17 8.399 8.399 8.845 -0.446 25957 2052 1 9 . 1 1 18 18 ASN N N 18 122.206 122.206 122.852 -0.646 25957 2053 1 9 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.801 -0.782 25957 2054 1 9 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.873 -6.212 25957 2055 1 9 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.590 -6.966 25957 2056 1 9 . 1 1 18 18 ASN H H 18 7.735 7.735 8.209 -0.474 25957 2057 1 9 . 1 1 19 19 SER N N 19 113.607 113.607 115.293 -1.686 25957 2058 1 9 . 1 1 19 19 SER HA H 19 4.695 4.695 4.125 0.570 25957 2059 1 9 . 1 1 19 19 SER CB C 19 57.917 57.917 63.228 -5.311 25957 2060 1 9 . 1 1 19 19 SER H H 19 8.196 8.196 8.643 -0.447 25957 2061 1 9 . 1 1 20 20 ALA N N 20 123.347 123.347 121.278 2.069 25957 2062 1 9 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.184 0.279 25957 2063 1 9 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.171 -6.960 25957 2064 1 9 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.655 -5.122 25957 2065 1 9 . 1 1 20 20 ALA H H 20 7.409 7.409 7.978 -0.569 25957 2066 1 9 . 1 1 21 21 GLY N N 21 107.557 107.557 104.926 2.631 25957 2067 1 9 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.991 -4.843 25957 2068 1 9 . 1 1 21 21 GLY H H 21 8.162 8.162 7.670 0.492 25957 2069 1 9 . 1 1 22 22 LYS N N 22 120.341 120.341 123.460 -3.119 25957 2070 1 9 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.325 0.002 25957 2071 1 9 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.609 -6.579 25957 2072 1 9 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.549 -5.071 25957 2073 1 9 . 1 1 22 22 LYS H H 22 7.621 7.621 7.812 -0.191 25957 2074 1 9 . 1 1 23 23 ASP N N 23 126.799 126.799 123.938 2.861 25957 2075 1 9 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.334 -0.015 25957 2076 1 9 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.377 -3.990 25957 2077 1 9 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.011 -5.587 25957 2078 1 9 . 1 1 23 23 ASP H H 23 8.636 8.636 8.546 0.090 25957 2079 1 9 . 1 1 24 24 THR N N 24 122.688 122.688 117.600 5.088 25957 2080 1 9 . 1 1 24 24 THR HA H 24 4.045 4.045 4.573 -0.528 25957 2081 1 9 . 1 1 24 24 THR CA C 24 56.539 56.539 60.719 -4.181 25957 2082 1 9 . 1 1 24 24 THR CB C 24 65.315 65.315 69.868 -4.553 25957 2083 1 9 . 1 1 24 24 THR H H 24 8.791 8.791 7.859 0.932 25957 2084 1 9 . 1 1 25 25 PHE N N 25 122.187 122.187 126.933 -4.746 25957 2085 1 9 . 1 1 25 25 PHE CA C 25 50.994 50.994 55.151 -4.157 25957 2086 1 9 . 1 1 25 25 PHE CB C 25 36.591 36.591 40.302 -3.711 25957 2087 1 9 . 1 1 25 25 PHE H H 25 8.316 8.316 7.993 0.323 25957 2088 1 9 . 1 1 26 26 ILE N N 26 123.106 123.106 125.762 -2.656 25957 2089 1 9 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.514 0.112 25957 2090 1 9 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.050 -5.664 25957 2091 1 9 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.789 -4.933 25957 2092 1 9 . 1 1 26 26 ILE H H 26 9.104 9.104 8.440 0.664 25957 2093 1 9 . 1 1 27 27 LYS N N 27 127.012 127.012 127.062 -0.050 25957 2094 1 9 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.646 -0.429 25957 2095 1 9 . 1 1 27 27 LYS CA C 27 52.551 52.551 56.514 -3.963 25957 2096 1 9 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.298 -6.355 25957 2097 1 9 . 1 1 27 27 LYS H H 27 8.317 8.317 8.420 -0.103 25957 2098 1 9 . 1 1 28 28 CYS N N 28 119.357 119.357 122.877 -3.520 25957 2099 1 9 . 1 1 28 28 CYS HA H 28 4.563 4.563 5.006 -0.443 25957 2100 1 9 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.362 -5.056 25957 2101 1 9 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.297 7.537 25957 2102 1 9 . 1 1 28 28 CYS H H 28 8.402 8.402 8.786 -0.384 25957 2103 1 9 . 1 1 30 30 LYS N N 30 116.694 116.694 116.717 -0.023 25957 2104 1 9 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.481 -0.506 25957 2105 1 9 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.650 -4.761 25957 2106 1 9 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.750 -5.269 25957 2107 1 9 . 1 1 30 30 LYS H H 30 8.007 8.007 8.377 -0.370 25957 2108 1 9 . 1 1 31 31 PHE N N 31 117.093 117.093 119.946 -2.853 25957 2109 1 9 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.535 -0.033 25957 2110 1 9 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.357 -5.922 25957 2111 1 9 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.251 -6.270 25957 2112 1 9 . 1 1 31 31 PHE H H 31 6.453 6.453 7.681 -1.228 25957 2113 1 9 . 1 1 32 32 ASP N N 32 121.556 121.556 120.686 0.870 25957 2114 1 9 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.361 -0.202 25957 2115 1 9 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.143 -5.862 25957 2116 1 9 . 1 1 32 32 ASP H H 32 8.788 8.788 7.767 1.021 25957 2117 1 9 . 1 1 33 33 ASN N N 33 113.280 113.280 116.225 -2.945 25957 2118 1 9 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.305 0.262 25957 2119 1 9 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.759 -6.012 25957 2120 1 9 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.145 -5.973 25957 2121 1 9 . 1 1 33 33 ASN H H 33 8.446 8.446 8.756 -0.310 25957 2122 1 9 . 1 1 34 34 LYS N N 34 117.362 117.362 116.353 1.009 25957 2123 1 9 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.418 0.428 25957 2124 1 9 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.693 -5.784 25957 2125 1 9 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.856 -3.710 25957 2126 1 9 . 1 1 34 34 LYS H H 34 7.652 7.652 7.567 0.085 25957 2127 1 9 . 1 1 35 35 LYS N N 35 116.833 116.833 118.202 -1.369 25957 2128 1 9 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.437 0.075 25957 2129 1 9 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.496 -5.758 25957 2130 1 9 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.923 -5.787 25957 2131 1 9 . 1 1 35 35 LYS H H 35 6.918 6.918 7.648 -0.730 25957 2132 1 9 . 1 1 36 36 CYS N N 36 117.631 117.631 121.868 -4.237 25957 2133 1 9 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.722 -0.017 25957 2134 1 9 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.063 8.018 25957 2135 1 9 . 1 1 36 36 CYS H H 36 8.542 8.542 8.684 -0.142 25957 2136 1 9 . 1 1 37 37 THR N N 37 122.048 122.048 119.527 2.521 25957 2137 1 9 . 1 1 37 37 THR HA H 37 4.217 4.217 4.585 -0.368 25957 2138 1 9 . 1 1 37 37 THR CA C 37 57.923 57.923 59.731 -1.808 25957 2139 1 9 . 1 1 37 37 THR H H 37 10.132 10.132 8.224 1.908 25957 2140 1 9 . 1 1 38 38 LYS N N 38 122.048 122.048 121.254 0.794 25957 2141 1 9 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.140 0.016 25957 2142 1 9 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.077 -5.827 25957 2143 1 9 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.385 -3.513 25957 2144 1 9 . 1 1 38 38 LYS H H 38 7.254 7.254 8.363 -1.109 25957 2145 1 9 . 1 1 39 39 ASP N N 39 124.813 124.813 120.038 4.775 25957 2146 1 9 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.544 0.042 25957 2147 1 9 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.473 -7.455 25957 2148 1 9 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.654 -5.901 25957 2149 1 9 . 1 1 39 39 ASP H H 39 8.785 8.785 8.759 0.026 25957 2150 1 9 . 1 1 40 40 ASN N N 40 114.848 114.848 117.557 -2.709 25957 2151 1 9 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.628 -0.358 25957 2152 1 9 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.651 -3.281 25957 2153 1 9 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.312 -6.785 25957 2154 1 9 . 1 1 40 40 ASN H H 40 9.453 9.453 8.214 1.239 25957 2155 1 9 . 1 1 41 41 ASN N N 41 120.276 120.276 119.041 1.235 25957 2156 1 9 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.493 0.204 25957 2157 1 9 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.982 -5.281 25957 2158 1 9 . 1 1 41 41 ASN H H 41 7.732 7.732 7.991 -0.259 25957 2159 1 9 . 1 1 42 42 LYS N N 42 119.784 119.784 115.515 4.269 25957 2160 1 9 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.463 -0.076 25957 2161 1 9 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.647 -3.723 25957 2162 1 9 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.392 -5.433 25957 2163 1 9 . 1 1 42 42 LYS H H 42 8.513 8.513 8.483 0.030 25957 2164 1 9 . 1 1 43 43 CYS N N 43 114.096 114.096 120.479 -6.383 25957 2165 1 9 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.536 0.832 25957 2166 1 9 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.339 -10.926 25957 2167 1 9 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.444 17.125 25957 2168 1 9 . 1 1 43 43 CYS H H 43 7.547 7.547 8.204 -0.657 25957 2169 1 9 . 1 1 44 44 THR N N 44 113.240 113.240 120.889 -7.649 25957 2170 1 9 . 1 1 44 44 THR HA H 44 5.245 5.245 4.513 0.732 25957 2171 1 9 . 1 1 44 44 THR CA C 44 54.725 54.725 60.822 -6.097 25957 2172 1 9 . 1 1 44 44 THR CB C 44 66.847 66.847 71.848 -5.001 25957 2173 1 9 . 1 1 44 44 THR H H 44 9.020 9.020 8.049 0.971 25957 2174 1 9 . 1 1 45 45 VAL N N 45 121.946 121.946 121.678 0.268 25957 2175 1 9 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.409 0.099 25957 2176 1 9 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.627 -5.220 25957 2177 1 9 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.807 -2.209 25957 2178 1 9 . 1 1 45 45 VAL H H 45 8.583 8.583 8.096 0.487 25957 2179 1 9 . 1 1 46 46 ASP N N 46 126.557 126.557 129.210 -2.653 25957 2180 1 9 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.040 0.226 25957 2181 1 9 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.617 -6.837 25957 2182 1 9 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.353 -6.909 25957 2183 1 9 . 1 1 46 46 ASP H H 46 8.574 8.574 8.196 0.378 25957 2184 1 9 . 1 1 47 47 THR N N 47 114.542 114.542 114.705 -0.163 25957 2185 1 9 . 1 1 47 47 THR HA H 47 4.168 4.168 4.436 -0.268 25957 2186 1 9 . 1 1 47 47 THR CA C 47 58.063 58.063 61.508 -3.445 25957 2187 1 9 . 1 1 47 47 THR CB C 47 63.665 63.665 69.238 -5.573 25957 2188 1 9 . 1 1 47 47 THR H H 47 9.049 9.049 8.294 0.755 25957 2189 1 9 . 1 1 48 48 TYR N N 48 123.857 123.857 121.073 2.784 25957 2190 1 9 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.456 -0.060 25957 2191 1 9 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.106 -5.166 25957 2192 1 9 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.375 -5.260 25957 2193 1 9 . 1 1 48 48 TYR H H 48 8.829 8.829 8.038 0.791 25957 2194 1 9 . 1 1 49 49 ASN N N 49 113.728 113.728 116.436 -2.708 25957 2195 1 9 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.766 -0.271 25957 2196 1 9 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.695 -6.100 25957 2197 1 9 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.140 -5.000 25957 2198 1 9 . 1 1 49 49 ASN H H 49 7.480 7.480 8.222 -0.742 25957 2199 1 9 . 1 1 50 50 ASN N N 50 117.093 117.093 113.851 3.242 25957 2200 1 9 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.327 -0.111 25957 2201 1 9 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.207 -5.162 25957 2202 1 9 . 1 1 50 50 ASN CB C 50 31.642 31.642 36.427 -4.785 25957 2203 1 9 . 1 1 50 50 ASN H H 50 7.916 7.916 7.675 0.241 25957 2204 1 9 . 1 1 51 51 ALA N N 51 121.083 121.083 119.896 1.187 25957 2205 1 9 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.545 -0.137 25957 2206 1 9 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.257 -4.174 25957 2207 1 9 . 1 1 51 51 ALA CB C 51 14.993 14.993 21.502 -6.509 25957 2208 1 9 . 1 1 51 51 ALA H H 51 7.796 7.796 7.341 0.455 25957 2209 1 9 . 1 1 52 52 VAL N N 52 125.472 125.472 120.596 4.876 25957 2210 1 9 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.136 0.781 25957 2211 1 9 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.763 -6.473 25957 2212 1 9 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.444 -2.697 25957 2213 1 9 . 1 1 52 52 VAL H H 52 8.247 8.247 7.899 0.348 25957 2214 1 9 . 1 1 53 53 ASP N N 53 125.852 125.852 123.609 2.243 25957 2215 1 9 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.825 0.109 25957 2216 1 9 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.684 -5.981 25957 2217 1 9 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.216 -0.998 25957 2218 1 9 . 1 1 53 53 ASP H H 53 8.613 8.613 8.344 0.269 25957 2219 1 9 . 1 1 54 54 CYS N N 54 122.530 122.530 121.177 1.353 25957 2220 1 9 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.659 0.067 25957 2221 1 9 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.605 -7.751 25957 2222 1 9 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.038 10.116 25957 2223 1 9 . 1 1 54 54 CYS H H 54 8.621 8.621 8.139 0.482 25957 2224 1 10 . 1 1 2 2 LYS N N 2 119.884 119.884 118.519 1.365 25957 2225 1 10 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.478 0.215 25957 2226 1 10 . 1 1 2 2 LYS H H 2 8.204 8.204 8.458 -0.254 25957 2227 1 10 . 1 1 3 3 TYR N N 3 122.994 122.994 119.164 3.830 25957 2228 1 10 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.697 0.142 25957 2229 1 10 . 1 1 3 3 TYR CA C 3 51.114 51.114 56.884 -5.770 25957 2230 1 10 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.995 -5.002 25957 2231 1 10 . 1 1 3 3 TYR H H 3 8.958 8.958 7.794 1.164 25957 2232 1 10 . 1 1 4 4 THR N N 4 116.889 116.889 116.399 0.490 25957 2233 1 10 . 1 1 4 4 THR HA H 4 5.047 5.047 4.522 0.525 25957 2234 1 10 . 1 1 4 4 THR CA C 4 56.171 56.171 62.134 -5.963 25957 2235 1 10 . 1 1 4 4 THR CB C 4 65.090 65.090 69.635 -4.545 25957 2236 1 10 . 1 1 4 4 THR H H 4 8.859 8.859 8.646 0.213 25957 2237 1 10 . 1 1 5 5 GLY N N 5 115.377 115.377 112.049 3.328 25957 2238 1 10 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.931 -5.479 25957 2239 1 10 . 1 1 5 5 GLY H H 5 9.107 9.107 7.921 1.186 25957 2240 1 10 . 1 1 6 6 LYS N N 6 121.194 121.194 117.791 3.403 25957 2241 1 10 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.068 0.325 25957 2242 1 10 . 1 1 6 6 LYS CA C 6 48.953 48.953 53.725 -4.772 25957 2243 1 10 . 1 1 6 6 LYS CB C 6 32.341 32.341 34.993 -2.652 25957 2244 1 10 . 1 1 6 6 LYS H H 6 8.391 8.391 8.028 0.363 25957 2245 1 10 . 1 1 7 7 CYS N N 7 122.568 122.568 122.760 -0.192 25957 2246 1 10 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.478 0.872 25957 2247 1 10 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.801 -9.053 25957 2248 1 10 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.411 9.552 25957 2249 1 10 . 1 1 7 7 CYS H H 7 9.802 9.802 8.720 1.082 25957 2250 1 10 . 1 1 8 8 THR N N 8 112.882 112.882 119.442 -6.560 25957 2251 1 10 . 1 1 8 8 THR HA H 8 4.715 4.715 4.663 0.052 25957 2252 1 10 . 1 1 8 8 THR CA C 8 54.652 54.652 60.461 -5.809 25957 2253 1 10 . 1 1 8 8 THR CB C 8 65.734 65.734 70.273 -4.539 25957 2254 1 10 . 1 1 8 8 THR H H 8 8.627 8.627 8.402 0.225 25957 2255 1 10 . 1 1 9 9 LYS N N 9 127.151 127.151 129.610 -2.459 25957 2256 1 10 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.130 -0.554 25957 2257 1 10 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.479 -3.940 25957 2258 1 10 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.897 -3.461 25957 2259 1 10 . 1 1 9 9 LYS H H 9 8.919 8.919 8.938 -0.019 25957 2260 1 10 . 1 1 10 10 SER N N 10 116.360 116.360 114.557 1.803 25957 2261 1 10 . 1 1 10 10 SER HA H 10 4.695 4.695 4.258 0.437 25957 2262 1 10 . 1 1 10 10 SER CB C 10 56.449 56.449 63.466 -7.017 25957 2263 1 10 . 1 1 10 10 SER H H 10 9.376 9.376 7.772 1.604 25957 2264 1 10 . 1 1 11 11 LYS N N 11 116.973 116.973 118.704 -1.731 25957 2265 1 10 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.434 -0.252 25957 2266 1 10 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.587 -4.927 25957 2267 1 10 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.535 -5.587 25957 2268 1 10 . 1 1 11 11 LYS H H 11 7.088 7.088 7.715 -0.627 25957 2269 1 10 . 1 1 12 12 ASN N N 12 120.352 120.352 117.053 3.299 25957 2270 1 10 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.418 0.177 25957 2271 1 10 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.589 -6.338 25957 2272 1 10 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.386 -5.511 25957 2273 1 10 . 1 1 12 12 ASN H H 12 7.592 7.592 8.444 -0.852 25957 2274 1 10 . 1 1 13 13 GLU N N 13 114.681 114.681 113.806 0.875 25957 2275 1 10 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.176 -0.290 25957 2276 1 10 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.325 -4.801 25957 2277 1 10 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.004 -4.137 25957 2278 1 10 . 1 1 13 13 GLU H H 13 7.234 7.234 7.618 -0.384 25957 2279 1 10 . 1 1 14 14 CYS N N 14 123.347 123.347 119.213 4.134 25957 2280 1 10 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.240 -0.593 25957 2281 1 10 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.167 -8.690 25957 2282 1 10 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.782 6.054 25957 2283 1 10 . 1 1 14 14 CYS H H 14 9.649 9.649 8.634 1.015 25957 2284 1 10 . 1 1 15 15 LYS N N 15 130.816 130.816 122.452 8.364 25957 2285 1 10 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.660 -0.712 25957 2286 1 10 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.695 -5.637 25957 2287 1 10 . 1 1 15 15 LYS CB C 15 29.013 29.013 36.007 -6.994 25957 2288 1 10 . 1 1 15 15 LYS H H 15 8.650 8.650 8.261 0.389 25957 2289 1 10 . 1 1 16 16 TYR N N 16 126.576 126.576 119.204 7.372 25957 2290 1 10 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.962 -0.028 25957 2291 1 10 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.014 -6.518 25957 2292 1 10 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.790 -5.889 25957 2293 1 10 . 1 1 16 16 TYR H H 16 8.995 8.995 7.938 1.057 25957 2294 1 10 . 1 1 17 17 LYS N N 17 120.916 120.916 123.416 -2.500 25957 2295 1 10 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.290 0.113 25957 2296 1 10 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.586 -6.396 25957 2297 1 10 . 1 1 17 17 LYS CB C 17 27.483 27.483 32.803 -5.320 25957 2298 1 10 . 1 1 17 17 LYS H H 17 8.399 8.399 8.755 -0.356 25957 2299 1 10 . 1 1 18 18 ASN N N 18 122.206 122.206 122.630 -0.424 25957 2300 1 10 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.782 -0.763 25957 2301 1 10 . 1 1 18 18 ASN CA C 18 45.661 45.661 52.296 -6.635 25957 2302 1 10 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.861 -7.237 25957 2303 1 10 . 1 1 18 18 ASN H H 18 7.735 7.735 7.824 -0.089 25957 2304 1 10 . 1 1 19 19 SER N N 19 113.607 113.607 115.059 -1.452 25957 2305 1 10 . 1 1 19 19 SER HA H 19 4.695 4.695 4.258 0.437 25957 2306 1 10 . 1 1 19 19 SER CB C 19 57.917 57.917 63.258 -5.341 25957 2307 1 10 . 1 1 19 19 SER H H 19 8.196 8.196 8.594 -0.398 25957 2308 1 10 . 1 1 20 20 ALA N N 20 123.347 123.347 121.057 2.290 25957 2309 1 10 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.162 0.301 25957 2310 1 10 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.055 -6.844 25957 2311 1 10 . 1 1 20 20 ALA CB C 20 13.533 13.533 19.003 -5.470 25957 2312 1 10 . 1 1 20 20 ALA H H 20 7.409 7.409 8.070 -0.661 25957 2313 1 10 . 1 1 21 21 GLY N N 21 107.557 107.557 105.039 2.518 25957 2314 1 10 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.904 -4.756 25957 2315 1 10 . 1 1 21 21 GLY H H 21 8.162 8.162 7.594 0.568 25957 2316 1 10 . 1 1 22 22 LYS N N 22 120.341 120.341 121.587 -1.246 25957 2317 1 10 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.435 -0.108 25957 2318 1 10 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.633 -6.603 25957 2319 1 10 . 1 1 22 22 LYS CB C 22 27.478 27.478 33.497 -6.019 25957 2320 1 10 . 1 1 22 22 LYS H H 22 7.621 7.621 7.767 -0.146 25957 2321 1 10 . 1 1 23 23 ASP N N 23 126.799 126.799 121.853 4.946 25957 2322 1 10 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.671 -0.352 25957 2323 1 10 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.279 -3.892 25957 2324 1 10 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.353 -5.929 25957 2325 1 10 . 1 1 23 23 ASP H H 23 8.636 8.636 8.322 0.314 25957 2326 1 10 . 1 1 24 24 THR N N 24 122.688 122.688 117.869 4.819 25957 2327 1 10 . 1 1 24 24 THR HA H 24 4.045 4.045 4.631 -0.586 25957 2328 1 10 . 1 1 24 24 THR CA C 24 56.539 56.539 60.381 -3.842 25957 2329 1 10 . 1 1 24 24 THR CB C 24 65.315 65.315 69.692 -4.377 25957 2330 1 10 . 1 1 24 24 THR H H 24 8.791 8.791 7.699 1.092 25957 2331 1 10 . 1 1 25 25 PHE N N 25 122.187 122.187 126.408 -4.221 25957 2332 1 10 . 1 1 25 25 PHE CA C 25 50.994 50.994 55.020 -4.026 25957 2333 1 10 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.080 -4.489 25957 2334 1 10 . 1 1 25 25 PHE H H 25 8.316 8.316 8.154 0.162 25957 2335 1 10 . 1 1 26 26 ILE N N 26 123.106 123.106 124.492 -1.386 25957 2336 1 10 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.459 0.167 25957 2337 1 10 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.026 -4.640 25957 2338 1 10 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.340 -5.484 25957 2339 1 10 . 1 1 26 26 ILE H H 26 9.104 9.104 8.688 0.416 25957 2340 1 10 . 1 1 27 27 LYS N N 27 127.012 127.012 126.849 0.163 25957 2341 1 10 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.808 -0.591 25957 2342 1 10 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.178 -2.627 25957 2343 1 10 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.935 -5.992 25957 2344 1 10 . 1 1 27 27 LYS H H 27 8.317 8.317 8.294 0.023 25957 2345 1 10 . 1 1 28 28 CYS N N 28 119.357 119.357 123.375 -4.018 25957 2346 1 10 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.950 -0.387 25957 2347 1 10 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.925 -5.617 25957 2348 1 10 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.780 8.054 25957 2349 1 10 . 1 1 28 28 CYS H H 28 8.402 8.402 8.913 -0.511 25957 2350 1 10 . 1 1 30 30 LYS N N 30 116.694 116.694 116.658 0.036 25957 2351 1 10 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.454 -0.479 25957 2352 1 10 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.626 -4.737 25957 2353 1 10 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.715 -5.234 25957 2354 1 10 . 1 1 30 30 LYS H H 30 8.007 8.007 8.416 -0.409 25957 2355 1 10 . 1 1 31 31 PHE N N 31 117.093 117.093 119.971 -2.878 25957 2356 1 10 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.577 -0.075 25957 2357 1 10 . 1 1 31 31 PHE CA C 31 51.435 51.435 56.912 -5.477 25957 2358 1 10 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.687 -5.706 25957 2359 1 10 . 1 1 31 31 PHE H H 31 6.453 6.453 7.709 -1.256 25957 2360 1 10 . 1 1 32 32 ASP N N 32 121.556 121.556 121.321 0.235 25957 2361 1 10 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.324 -0.165 25957 2362 1 10 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.971 -5.690 25957 2363 1 10 . 1 1 32 32 ASP H H 32 8.788 8.788 7.725 1.063 25957 2364 1 10 . 1 1 33 33 ASN N N 33 113.280 113.280 116.833 -3.553 25957 2365 1 10 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.231 0.336 25957 2366 1 10 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.792 -6.045 25957 2367 1 10 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.191 -6.019 25957 2368 1 10 . 1 1 33 33 ASN H H 33 8.446 8.446 8.763 -0.317 25957 2369 1 10 . 1 1 34 34 LYS N N 34 117.362 117.362 116.235 1.127 25957 2370 1 10 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.388 0.458 25957 2371 1 10 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.801 -5.892 25957 2372 1 10 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.774 -3.628 25957 2373 1 10 . 1 1 34 34 LYS H H 34 7.652 7.652 7.606 0.046 25957 2374 1 10 . 1 1 35 35 LYS N N 35 116.833 116.833 119.024 -2.191 25957 2375 1 10 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.416 0.096 25957 2376 1 10 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.069 -5.331 25957 2377 1 10 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.302 -5.166 25957 2378 1 10 . 1 1 35 35 LYS H H 35 6.918 6.918 7.617 -0.699 25957 2379 1 10 . 1 1 36 36 CYS N N 36 117.631 117.631 120.906 -3.275 25957 2380 1 10 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.623 0.082 25957 2381 1 10 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.782 7.300 25957 2382 1 10 . 1 1 36 36 CYS H H 36 8.542 8.542 8.563 -0.021 25957 2383 1 10 . 1 1 37 37 THR N N 37 122.048 122.048 120.998 1.050 25957 2384 1 10 . 1 1 37 37 THR HA H 37 4.217 4.217 4.644 -0.427 25957 2385 1 10 . 1 1 37 37 THR CA C 37 57.923 57.923 60.780 -2.857 25957 2386 1 10 . 1 1 37 37 THR H H 37 10.132 10.132 8.190 1.942 25957 2387 1 10 . 1 1 38 38 LYS N N 38 122.048 122.048 121.123 0.925 25957 2388 1 10 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.075 0.081 25957 2389 1 10 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.531 -6.282 25957 2390 1 10 . 1 1 38 38 LYS CB C 38 29.872 29.872 32.994 -3.122 25957 2391 1 10 . 1 1 38 38 LYS H H 38 7.254 7.254 8.417 -1.163 25957 2392 1 10 . 1 1 39 39 ASP N N 39 124.813 124.813 121.191 3.622 25957 2393 1 10 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.493 0.093 25957 2394 1 10 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.693 -7.675 25957 2395 1 10 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.698 -5.945 25957 2396 1 10 . 1 1 39 39 ASP H H 39 8.785 8.785 8.676 0.109 25957 2397 1 10 . 1 1 40 40 ASN N N 40 114.848 114.848 117.819 -2.971 25957 2398 1 10 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.607 -0.337 25957 2399 1 10 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.852 -3.482 25957 2400 1 10 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.400 -6.873 25957 2401 1 10 . 1 1 40 40 ASN H H 40 9.453 9.453 8.221 1.232 25957 2402 1 10 . 1 1 41 41 ASN N N 41 120.276 120.276 119.086 1.190 25957 2403 1 10 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.524 0.173 25957 2404 1 10 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.027 -5.326 25957 2405 1 10 . 1 1 41 41 ASN H H 41 7.732 7.732 7.925 -0.193 25957 2406 1 10 . 1 1 42 42 LYS N N 42 119.784 119.784 115.549 4.235 25957 2407 1 10 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.487 -0.100 25957 2408 1 10 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.172 -3.248 25957 2409 1 10 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.433 -4.474 25957 2410 1 10 . 1 1 42 42 LYS H H 42 8.513 8.513 8.670 -0.157 25957 2411 1 10 . 1 1 43 43 CYS N N 43 114.096 114.096 120.471 -6.375 25957 2412 1 10 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.511 0.857 25957 2413 1 10 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.318 -10.905 25957 2414 1 10 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.617 16.952 25957 2415 1 10 . 1 1 43 43 CYS H H 43 7.547 7.547 8.098 -0.551 25957 2416 1 10 . 1 1 44 44 THR N N 44 113.240 113.240 121.191 -7.951 25957 2417 1 10 . 1 1 44 44 THR HA H 44 5.245 5.245 4.619 0.626 25957 2418 1 10 . 1 1 44 44 THR CA C 44 54.725 54.725 60.703 -5.978 25957 2419 1 10 . 1 1 44 44 THR CB C 44 66.847 66.847 71.818 -4.971 25957 2420 1 10 . 1 1 44 44 THR H H 44 9.020 9.020 8.064 0.956 25957 2421 1 10 . 1 1 45 45 VAL N N 45 121.946 121.946 121.745 0.201 25957 2422 1 10 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.440 0.068 25957 2423 1 10 . 1 1 45 45 VAL CA C 45 55.407 55.407 61.689 -6.282 25957 2424 1 10 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.304 -1.706 25957 2425 1 10 . 1 1 45 45 VAL H H 45 8.583 8.583 8.076 0.507 25957 2426 1 10 . 1 1 46 46 ASP N N 46 126.557 126.557 127.997 -1.440 25957 2427 1 10 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.989 0.277 25957 2428 1 10 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.924 -7.144 25957 2429 1 10 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.856 -7.412 25957 2430 1 10 . 1 1 46 46 ASP H H 46 8.574 8.574 8.116 0.458 25957 2431 1 10 . 1 1 47 47 THR N N 47 114.542 114.542 112.337 2.205 25957 2432 1 10 . 1 1 47 47 THR HA H 47 4.168 4.168 4.476 -0.308 25957 2433 1 10 . 1 1 47 47 THR CA C 47 58.063 58.063 61.908 -3.845 25957 2434 1 10 . 1 1 47 47 THR CB C 47 63.665 63.665 69.474 -5.809 25957 2435 1 10 . 1 1 47 47 THR H H 47 9.049 9.049 8.086 0.963 25957 2436 1 10 . 1 1 48 48 TYR N N 48 123.857 123.857 122.044 1.813 25957 2437 1 10 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.441 -0.045 25957 2438 1 10 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.935 -4.995 25957 2439 1 10 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.174 -5.059 25957 2440 1 10 . 1 1 48 48 TYR H H 48 8.829 8.829 8.001 0.828 25957 2441 1 10 . 1 1 49 49 ASN N N 49 113.728 113.728 116.240 -2.512 25957 2442 1 10 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.826 -0.331 25957 2443 1 10 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.838 -6.243 25957 2444 1 10 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.087 -4.947 25957 2445 1 10 . 1 1 49 49 ASN H H 49 7.480 7.480 8.246 -0.766 25957 2446 1 10 . 1 1 50 50 ASN N N 50 117.093 117.093 113.663 3.430 25957 2447 1 10 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.336 -0.120 25957 2448 1 10 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.173 -5.128 25957 2449 1 10 . 1 1 50 50 ASN CB C 50 31.642 31.642 36.476 -4.834 25957 2450 1 10 . 1 1 50 50 ASN H H 50 7.916 7.916 7.696 0.220 25957 2451 1 10 . 1 1 51 51 ALA N N 51 121.083 121.083 119.739 1.344 25957 2452 1 10 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.627 -0.219 25957 2453 1 10 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.142 -4.059 25957 2454 1 10 . 1 1 51 51 ALA CB C 51 14.993 14.993 21.410 -6.417 25957 2455 1 10 . 1 1 51 51 ALA H H 51 7.796 7.796 7.290 0.506 25957 2456 1 10 . 1 1 52 52 VAL N N 52 125.472 125.472 117.208 8.264 25957 2457 1 10 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.292 0.625 25957 2458 1 10 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.091 -5.802 25957 2459 1 10 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.719 -2.972 25957 2460 1 10 . 1 1 52 52 VAL H H 52 8.247 8.247 7.825 0.422 25957 2461 1 10 . 1 1 53 53 ASP N N 53 125.852 125.852 122.664 3.188 25957 2462 1 10 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.974 -0.040 25957 2463 1 10 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.718 -6.015 25957 2464 1 10 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.129 -0.911 25957 2465 1 10 . 1 1 53 53 ASP H H 53 8.613 8.613 8.305 0.308 25957 2466 1 10 . 1 1 54 54 CYS N N 54 122.530 122.530 120.906 1.624 25957 2467 1 10 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.597 0.129 25957 2468 1 10 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.959 -8.105 25957 2469 1 10 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.931 9.223 25957 2470 1 10 . 1 1 54 54 CYS H H 54 8.621 8.621 8.215 0.406 25957 2471 1 11 . 1 1 2 2 LYS N N 2 119.884 119.884 124.038 -4.154 25957 2472 1 11 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.265 0.428 25957 2473 1 11 . 1 1 2 2 LYS H H 2 8.204 8.204 8.643 -0.439 25957 2474 1 11 . 1 1 3 3 TYR N N 3 122.994 122.994 116.881 6.113 25957 2475 1 11 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.748 0.092 25957 2476 1 11 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.033 -5.919 25957 2477 1 11 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.313 -5.320 25957 2478 1 11 . 1 1 3 3 TYR H H 3 8.958 8.958 7.700 1.258 25957 2479 1 11 . 1 1 4 4 THR N N 4 116.889 116.889 116.791 0.098 25957 2480 1 11 . 1 1 4 4 THR HA H 4 5.047 5.047 4.476 0.571 25957 2481 1 11 . 1 1 4 4 THR CA C 4 56.171 56.171 62.575 -6.404 25957 2482 1 11 . 1 1 4 4 THR CB C 4 65.090 65.090 69.129 -4.039 25957 2483 1 11 . 1 1 4 4 THR H H 4 8.859 8.859 8.689 0.170 25957 2484 1 11 . 1 1 5 5 GLY N N 5 115.377 115.377 111.485 3.892 25957 2485 1 11 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.988 -5.536 25957 2486 1 11 . 1 1 5 5 GLY H H 5 9.107 9.107 7.889 1.218 25957 2487 1 11 . 1 1 6 6 LYS N N 6 121.194 121.194 117.321 3.873 25957 2488 1 11 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.099 0.294 25957 2489 1 11 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.593 -5.640 25957 2490 1 11 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.502 -3.161 25957 2491 1 11 . 1 1 6 6 LYS H H 6 8.391 8.391 8.012 0.379 25957 2492 1 11 . 1 1 7 7 CYS N N 7 122.568 122.568 122.254 0.314 25957 2493 1 11 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.618 0.732 25957 2494 1 11 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.422 -8.674 25957 2495 1 11 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.403 9.560 25957 2496 1 11 . 1 1 7 7 CYS H H 7 9.802 9.802 8.764 1.038 25957 2497 1 11 . 1 1 8 8 THR N N 8 112.882 112.882 116.503 -3.621 25957 2498 1 11 . 1 1 8 8 THR HA H 8 4.715 4.715 4.733 -0.018 25957 2499 1 11 . 1 1 8 8 THR CA C 8 54.652 54.652 60.384 -5.732 25957 2500 1 11 . 1 1 8 8 THR CB C 8 65.734 65.734 70.580 -4.846 25957 2501 1 11 . 1 1 8 8 THR H H 8 8.627 8.627 8.123 0.504 25957 2502 1 11 . 1 1 9 9 LYS N N 9 127.151 127.151 129.474 -2.323 25957 2503 1 11 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.053 -0.477 25957 2504 1 11 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.625 -4.086 25957 2505 1 11 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.031 -3.595 25957 2506 1 11 . 1 1 9 9 LYS H H 9 8.919 8.919 8.988 -0.069 25957 2507 1 11 . 1 1 10 10 SER N N 10 116.360 116.360 114.258 2.102 25957 2508 1 11 . 1 1 10 10 SER HA H 10 4.695 4.695 4.372 0.323 25957 2509 1 11 . 1 1 10 10 SER CB C 10 56.449 56.449 63.397 -6.948 25957 2510 1 11 . 1 1 10 10 SER H H 10 9.376 9.376 7.616 1.760 25957 2511 1 11 . 1 1 11 11 LYS N N 11 116.973 116.973 118.604 -1.631 25957 2512 1 11 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.476 -0.294 25957 2513 1 11 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.844 -5.184 25957 2514 1 11 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.704 -5.756 25957 2515 1 11 . 1 1 11 11 LYS H H 11 7.088 7.088 7.712 -0.624 25957 2516 1 11 . 1 1 12 12 ASN N N 12 120.352 120.352 118.380 1.972 25957 2517 1 11 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.427 0.168 25957 2518 1 11 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.330 -6.079 25957 2519 1 11 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.378 -5.503 25957 2520 1 11 . 1 1 12 12 ASN H H 12 7.592 7.592 8.311 -0.719 25957 2521 1 11 . 1 1 13 13 GLU N N 13 114.681 114.681 114.390 0.291 25957 2522 1 11 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.142 -0.256 25957 2523 1 11 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.692 -5.168 25957 2524 1 11 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.351 -3.484 25957 2525 1 11 . 1 1 13 13 GLU H H 13 7.234 7.234 7.658 -0.424 25957 2526 1 11 . 1 1 14 14 CYS N N 14 123.347 123.347 122.272 1.075 25957 2527 1 11 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.166 -0.519 25957 2528 1 11 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.440 -8.963 25957 2529 1 11 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.271 6.565 25957 2530 1 11 . 1 1 14 14 CYS H H 14 9.649 9.649 8.701 0.948 25957 2531 1 11 . 1 1 15 15 LYS N N 15 130.816 130.816 124.563 6.253 25957 2532 1 11 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.749 -0.801 25957 2533 1 11 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.362 -5.304 25957 2534 1 11 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.797 -6.784 25957 2535 1 11 . 1 1 15 15 LYS H H 15 8.650 8.650 8.241 0.409 25957 2536 1 11 . 1 1 16 16 TYR N N 16 126.576 126.576 118.832 7.744 25957 2537 1 11 . 1 1 16 16 TYR HA H 16 4.934 4.934 5.034 -0.100 25957 2538 1 11 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.093 -6.597 25957 2539 1 11 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.953 -6.052 25957 2540 1 11 . 1 1 16 16 TYR H H 16 8.995 8.995 7.976 1.019 25957 2541 1 11 . 1 1 17 17 LYS N N 17 120.916 120.916 122.361 -1.445 25957 2542 1 11 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.279 0.124 25957 2543 1 11 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.247 -6.057 25957 2544 1 11 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.315 -5.832 25957 2545 1 11 . 1 1 17 17 LYS H H 17 8.399 8.399 8.669 -0.270 25957 2546 1 11 . 1 1 18 18 ASN N N 18 122.206 122.206 122.822 -0.616 25957 2547 1 11 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.677 -0.658 25957 2548 1 11 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.970 -6.309 25957 2549 1 11 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.484 -6.860 25957 2550 1 11 . 1 1 18 18 ASN H H 18 7.735 7.735 8.214 -0.479 25957 2551 1 11 . 1 1 19 19 SER N N 19 113.607 113.607 115.132 -1.525 25957 2552 1 11 . 1 1 19 19 SER HA H 19 4.695 4.695 4.121 0.574 25957 2553 1 11 . 1 1 19 19 SER CB C 19 57.917 57.917 63.257 -5.340 25957 2554 1 11 . 1 1 19 19 SER H H 19 8.196 8.196 8.630 -0.434 25957 2555 1 11 . 1 1 20 20 ALA N N 20 123.347 123.347 121.070 2.277 25957 2556 1 11 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.177 0.286 25957 2557 1 11 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.047 -6.836 25957 2558 1 11 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.608 -5.075 25957 2559 1 11 . 1 1 20 20 ALA H H 20 7.409 7.409 7.976 -0.567 25957 2560 1 11 . 1 1 21 21 GLY N N 21 107.557 107.557 105.255 2.302 25957 2561 1 11 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.088 -4.940 25957 2562 1 11 . 1 1 21 21 GLY H H 21 8.162 8.162 7.606 0.556 25957 2563 1 11 . 1 1 22 22 LYS N N 22 120.341 120.341 123.223 -2.882 25957 2564 1 11 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.305 0.022 25957 2565 1 11 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.578 -6.548 25957 2566 1 11 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.323 -4.845 25957 2567 1 11 . 1 1 22 22 LYS H H 22 7.621 7.621 7.798 -0.177 25957 2568 1 11 . 1 1 23 23 ASP N N 23 126.799 126.799 123.533 3.266 25957 2569 1 11 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.265 0.054 25957 2570 1 11 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.228 -3.841 25957 2571 1 11 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.006 -5.582 25957 2572 1 11 . 1 1 23 23 ASP H H 23 8.636 8.636 8.455 0.181 25957 2573 1 11 . 1 1 24 24 THR N N 24 122.688 122.688 117.761 4.927 25957 2574 1 11 . 1 1 24 24 THR HA H 24 4.045 4.045 4.620 -0.575 25957 2575 1 11 . 1 1 24 24 THR CA C 24 56.539 56.539 60.878 -4.339 25957 2576 1 11 . 1 1 24 24 THR CB C 24 65.315 65.315 70.243 -4.928 25957 2577 1 11 . 1 1 24 24 THR H H 24 8.791 8.791 7.712 1.079 25957 2578 1 11 . 1 1 25 25 PHE N N 25 122.187 122.187 127.473 -5.286 25957 2579 1 11 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.835 -3.841 25957 2580 1 11 . 1 1 25 25 PHE CB C 25 36.591 36.591 40.661 -4.070 25957 2581 1 11 . 1 1 25 25 PHE H H 25 8.316 8.316 8.212 0.104 25957 2582 1 11 . 1 1 26 26 ILE N N 26 123.106 123.106 125.493 -2.387 25957 2583 1 11 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.500 0.126 25957 2584 1 11 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.766 -5.380 25957 2585 1 11 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.556 -4.700 25957 2586 1 11 . 1 1 26 26 ILE H H 26 9.104 9.104 8.715 0.389 25957 2587 1 11 . 1 1 27 27 LYS N N 27 127.012 127.012 127.257 -0.245 25957 2588 1 11 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.992 -0.775 25957 2589 1 11 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.459 -2.908 25957 2590 1 11 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.093 -6.149 25957 2591 1 11 . 1 1 27 27 LYS H H 27 8.317 8.317 8.292 0.025 25957 2592 1 11 . 1 1 28 28 CYS N N 28 119.357 119.357 122.861 -3.504 25957 2593 1 11 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.878 -0.315 25957 2594 1 11 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.639 -5.332 25957 2595 1 11 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.137 8.697 25957 2596 1 11 . 1 1 28 28 CYS H H 28 8.402 8.402 8.912 -0.510 25957 2597 1 11 . 1 1 30 30 LYS N N 30 116.694 116.694 116.801 -0.107 25957 2598 1 11 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.453 -0.478 25957 2599 1 11 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.602 -4.713 25957 2600 1 11 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.691 -5.210 25957 2601 1 11 . 1 1 30 30 LYS H H 30 8.007 8.007 8.425 -0.418 25957 2602 1 11 . 1 1 31 31 PHE N N 31 117.093 117.093 119.599 -2.506 25957 2603 1 11 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.604 -0.102 25957 2604 1 11 . 1 1 31 31 PHE CA C 31 51.435 51.435 56.940 -5.505 25957 2605 1 11 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.599 -5.619 25957 2606 1 11 . 1 1 31 31 PHE H H 31 6.453 6.453 7.622 -1.169 25957 2607 1 11 . 1 1 32 32 ASP N N 32 121.556 121.556 120.885 0.671 25957 2608 1 11 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.373 -0.214 25957 2609 1 11 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.896 -5.615 25957 2610 1 11 . 1 1 32 32 ASP H H 32 8.788 8.788 7.686 1.102 25957 2611 1 11 . 1 1 33 33 ASN N N 33 113.280 113.280 116.761 -3.481 25957 2612 1 11 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.255 0.312 25957 2613 1 11 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.752 -6.005 25957 2614 1 11 . 1 1 33 33 ASN CB C 33 32.172 32.172 37.975 -5.803 25957 2615 1 11 . 1 1 33 33 ASN H H 33 8.446 8.446 8.623 -0.177 25957 2616 1 11 . 1 1 34 34 LYS N N 34 117.362 117.362 116.574 0.788 25957 2617 1 11 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.453 0.393 25957 2618 1 11 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.283 -5.374 25957 2619 1 11 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.385 -3.239 25957 2620 1 11 . 1 1 34 34 LYS H H 34 7.652 7.652 7.652 0.000 25957 2621 1 11 . 1 1 35 35 LYS N N 35 116.833 116.833 118.995 -2.162 25957 2622 1 11 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.415 0.097 25957 2623 1 11 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.298 -5.560 25957 2624 1 11 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.017 -4.881 25957 2625 1 11 . 1 1 35 35 LYS H H 35 6.918 6.918 7.696 -0.778 25957 2626 1 11 . 1 1 36 36 CYS N N 36 117.631 117.631 122.144 -4.513 25957 2627 1 11 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.556 0.149 25957 2628 1 11 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.427 7.654 25957 2629 1 11 . 1 1 36 36 CYS H H 36 8.542 8.542 8.443 0.099 25957 2630 1 11 . 1 1 37 37 THR N N 37 122.048 122.048 118.025 4.023 25957 2631 1 11 . 1 1 37 37 THR HA H 37 4.217 4.217 4.578 -0.361 25957 2632 1 11 . 1 1 37 37 THR CA C 37 57.923 57.923 59.788 -1.865 25957 2633 1 11 . 1 1 37 37 THR H H 37 10.132 10.132 8.232 1.900 25957 2634 1 11 . 1 1 38 38 LYS N N 38 122.048 122.048 122.305 -0.257 25957 2635 1 11 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.068 0.088 25957 2636 1 11 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.603 -6.354 25957 2637 1 11 . 1 1 38 38 LYS CB C 38 29.872 29.872 32.859 -2.987 25957 2638 1 11 . 1 1 38 38 LYS H H 38 7.254 7.254 8.389 -1.135 25957 2639 1 11 . 1 1 39 39 ASP N N 39 124.813 124.813 123.779 1.034 25957 2640 1 11 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.416 0.170 25957 2641 1 11 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.399 -7.381 25957 2642 1 11 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.521 -5.768 25957 2643 1 11 . 1 1 39 39 ASP H H 39 8.785 8.785 8.330 0.455 25957 2644 1 11 . 1 1 40 40 ASN N N 40 114.848 114.848 115.536 -0.688 25957 2645 1 11 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.551 -0.281 25957 2646 1 11 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.987 -3.617 25957 2647 1 11 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.543 -7.016 25957 2648 1 11 . 1 1 40 40 ASN H H 40 9.453 9.453 8.467 0.986 25957 2649 1 11 . 1 1 41 41 ASN N N 41 120.276 120.276 119.035 1.241 25957 2650 1 11 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.582 0.115 25957 2651 1 11 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.248 -5.547 25957 2652 1 11 . 1 1 41 41 ASN H H 41 7.732 7.732 7.897 -0.165 25957 2653 1 11 . 1 1 42 42 LYS N N 42 119.784 119.784 116.601 3.183 25957 2654 1 11 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.470 -0.083 25957 2655 1 11 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.541 -3.617 25957 2656 1 11 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.223 -5.264 25957 2657 1 11 . 1 1 42 42 LYS H H 42 8.513 8.513 8.395 0.118 25957 2658 1 11 . 1 1 43 43 CYS N N 43 114.096 114.096 120.859 -6.763 25957 2659 1 11 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.507 0.861 25957 2660 1 11 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.302 -10.889 25957 2661 1 11 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.334 17.235 25957 2662 1 11 . 1 1 43 43 CYS H H 43 7.547 7.547 8.071 -0.524 25957 2663 1 11 . 1 1 44 44 THR N N 44 113.240 113.240 120.532 -7.292 25957 2664 1 11 . 1 1 44 44 THR HA H 44 5.245 5.245 4.592 0.653 25957 2665 1 11 . 1 1 44 44 THR CA C 44 54.725 54.725 60.487 -5.762 25957 2666 1 11 . 1 1 44 44 THR CB C 44 66.847 66.847 71.695 -4.848 25957 2667 1 11 . 1 1 44 44 THR H H 44 9.020 9.020 8.050 0.970 25957 2668 1 11 . 1 1 45 45 VAL N N 45 121.946 121.946 121.796 0.150 25957 2669 1 11 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.568 -0.060 25957 2670 1 11 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.056 -4.649 25957 2671 1 11 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.327 -1.729 25957 2672 1 11 . 1 1 45 45 VAL H H 45 8.583 8.583 8.214 0.369 25957 2673 1 11 . 1 1 46 46 ASP N N 46 126.557 126.557 130.260 -3.703 25957 2674 1 11 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.014 0.252 25957 2675 1 11 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.812 -7.032 25957 2676 1 11 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.749 -7.305 25957 2677 1 11 . 1 1 46 46 ASP H H 46 8.574 8.574 8.326 0.248 25957 2678 1 11 . 1 1 47 47 THR N N 47 114.542 114.542 110.164 4.378 25957 2679 1 11 . 1 1 47 47 THR HA H 47 4.168 4.168 4.478 -0.310 25957 2680 1 11 . 1 1 47 47 THR CA C 47 58.063 58.063 61.482 -3.419 25957 2681 1 11 . 1 1 47 47 THR CB C 47 63.665 63.665 69.625 -5.960 25957 2682 1 11 . 1 1 47 47 THR H H 47 9.049 9.049 8.270 0.779 25957 2683 1 11 . 1 1 48 48 TYR N N 48 123.857 123.857 121.920 1.937 25957 2684 1 11 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.464 -0.068 25957 2685 1 11 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.394 -5.454 25957 2686 1 11 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.446 -5.331 25957 2687 1 11 . 1 1 48 48 TYR H H 48 8.829 8.829 8.072 0.757 25957 2688 1 11 . 1 1 49 49 ASN N N 49 113.728 113.728 116.157 -2.429 25957 2689 1 11 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.688 -0.193 25957 2690 1 11 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.979 -6.384 25957 2691 1 11 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.522 -5.382 25957 2692 1 11 . 1 1 49 49 ASN H H 49 7.480 7.480 8.183 -0.703 25957 2693 1 11 . 1 1 50 50 ASN N N 50 117.093 117.093 114.921 2.172 25957 2694 1 11 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.420 -0.204 25957 2695 1 11 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.751 -4.706 25957 2696 1 11 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.305 -5.663 25957 2697 1 11 . 1 1 50 50 ASN H H 50 7.916 7.916 7.936 -0.020 25957 2698 1 11 . 1 1 51 51 ALA N N 51 121.083 121.083 120.475 0.608 25957 2699 1 11 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.356 0.052 25957 2700 1 11 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.382 -5.299 25957 2701 1 11 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.962 -4.968 25957 2702 1 11 . 1 1 51 51 ALA H H 51 7.796 7.796 7.457 0.339 25957 2703 1 11 . 1 1 52 52 VAL N N 52 125.472 125.472 120.555 4.917 25957 2704 1 11 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.188 0.729 25957 2705 1 11 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.193 -5.904 25957 2706 1 11 . 1 1 52 52 VAL CB C 52 29.747 29.747 33.884 -4.137 25957 2707 1 11 . 1 1 52 52 VAL H H 52 8.247 8.247 7.894 0.353 25957 2708 1 11 . 1 1 53 53 ASP N N 53 125.852 125.852 125.506 0.346 25957 2709 1 11 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.930 0.004 25957 2710 1 11 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.731 -6.028 25957 2711 1 11 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.194 -0.976 25957 2712 1 11 . 1 1 53 53 ASP H H 53 8.613 8.613 8.301 0.312 25957 2713 1 11 . 1 1 54 54 CYS N N 54 122.530 122.530 120.716 1.814 25957 2714 1 11 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.590 0.136 25957 2715 1 11 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.896 -8.042 25957 2716 1 11 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.416 9.738 25957 2717 1 11 . 1 1 54 54 CYS H H 54 8.621 8.621 8.204 0.417 25957 2718 1 12 . 1 1 2 2 LYS N N 2 119.884 119.884 120.142 -0.258 25957 2719 1 12 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.918 -0.225 25957 2720 1 12 . 1 1 2 2 LYS H H 2 8.204 8.204 8.682 -0.478 25957 2721 1 12 . 1 1 3 3 TYR N N 3 122.994 122.994 119.360 3.634 25957 2722 1 12 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.738 0.102 25957 2723 1 12 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.345 -6.231 25957 2724 1 12 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.799 -4.806 25957 2725 1 12 . 1 1 3 3 TYR H H 3 8.958 8.958 8.601 0.357 25957 2726 1 12 . 1 1 4 4 THR N N 4 116.889 116.889 119.429 -2.540 25957 2727 1 12 . 1 1 4 4 THR HA H 4 5.047 5.047 4.479 0.568 25957 2728 1 12 . 1 1 4 4 THR CA C 4 56.171 56.171 62.873 -6.702 25957 2729 1 12 . 1 1 4 4 THR CB C 4 65.090 65.090 69.308 -4.218 25957 2730 1 12 . 1 1 4 4 THR H H 4 8.859 8.859 8.790 0.069 25957 2731 1 12 . 1 1 5 5 GLY N N 5 115.377 115.377 112.072 3.305 25957 2732 1 12 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.037 -4.585 25957 2733 1 12 . 1 1 5 5 GLY H H 5 9.107 9.107 7.927 1.180 25957 2734 1 12 . 1 1 6 6 LYS N N 6 121.194 121.194 117.126 4.068 25957 2735 1 12 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.096 0.297 25957 2736 1 12 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.521 -5.568 25957 2737 1 12 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.493 -3.152 25957 2738 1 12 . 1 1 6 6 LYS H H 6 8.391 8.391 7.863 0.528 25957 2739 1 12 . 1 1 7 7 CYS N N 7 122.568 122.568 123.038 -0.470 25957 2740 1 12 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.452 0.898 25957 2741 1 12 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.778 -9.030 25957 2742 1 12 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.194 9.769 25957 2743 1 12 . 1 1 7 7 CYS H H 7 9.802 9.802 8.740 1.062 25957 2744 1 12 . 1 1 8 8 THR N N 8 112.882 112.882 118.978 -6.096 25957 2745 1 12 . 1 1 8 8 THR HA H 8 4.715 4.715 4.639 0.076 25957 2746 1 12 . 1 1 8 8 THR CA C 8 54.652 54.652 60.778 -6.126 25957 2747 1 12 . 1 1 8 8 THR CB C 8 65.734 65.734 70.806 -5.072 25957 2748 1 12 . 1 1 8 8 THR H H 8 8.627 8.627 8.432 0.195 25957 2749 1 12 . 1 1 9 9 LYS N N 9 127.151 127.151 129.399 -2.248 25957 2750 1 12 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.124 -0.548 25957 2751 1 12 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.191 -3.651 25957 2752 1 12 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.732 -3.296 25957 2753 1 12 . 1 1 9 9 LYS H H 9 8.919 8.919 8.948 -0.029 25957 2754 1 12 . 1 1 10 10 SER N N 10 116.360 116.360 113.910 2.450 25957 2755 1 12 . 1 1 10 10 SER HA H 10 4.695 4.695 4.323 0.372 25957 2756 1 12 . 1 1 10 10 SER CB C 10 56.449 56.449 63.664 -7.215 25957 2757 1 12 . 1 1 10 10 SER H H 10 9.376 9.376 7.749 1.627 25957 2758 1 12 . 1 1 11 11 LYS N N 11 116.973 116.973 118.278 -1.305 25957 2759 1 12 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.436 -0.254 25957 2760 1 12 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.803 -5.143 25957 2761 1 12 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.383 -5.434 25957 2762 1 12 . 1 1 11 11 LYS H H 11 7.088 7.088 7.591 -0.503 25957 2763 1 12 . 1 1 12 12 ASN N N 12 120.352 120.352 117.343 3.009 25957 2764 1 12 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.357 0.238 25957 2765 1 12 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.525 -6.274 25957 2766 1 12 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.426 -5.551 25957 2767 1 12 . 1 1 12 12 ASN H H 12 7.592 7.592 8.249 -0.657 25957 2768 1 12 . 1 1 13 13 GLU N N 13 114.681 114.681 113.636 1.045 25957 2769 1 12 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.077 -0.192 25957 2770 1 12 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.206 -4.683 25957 2771 1 12 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.117 -4.250 25957 2772 1 12 . 1 1 13 13 GLU H H 13 7.234 7.234 7.648 -0.414 25957 2773 1 12 . 1 1 14 14 CYS N N 14 123.347 123.347 119.309 4.038 25957 2774 1 12 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.230 -0.583 25957 2775 1 12 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.208 -8.731 25957 2776 1 12 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.457 6.379 25957 2777 1 12 . 1 1 14 14 CYS H H 14 9.649 9.649 8.530 1.119 25957 2778 1 12 . 1 1 15 15 LYS N N 15 130.816 130.816 126.330 4.486 25957 2779 1 12 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.620 -0.672 25957 2780 1 12 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.749 -5.691 25957 2781 1 12 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.343 -6.330 25957 2782 1 12 . 1 1 15 15 LYS H H 15 8.650 8.650 8.794 -0.144 25957 2783 1 12 . 1 1 16 16 TYR N N 16 126.576 126.576 121.532 5.044 25957 2784 1 12 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.856 0.078 25957 2785 1 12 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.569 -7.074 25957 2786 1 12 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.787 -4.886 25957 2787 1 12 . 1 1 16 16 TYR H H 16 8.995 8.995 8.012 0.983 25957 2788 1 12 . 1 1 17 17 LYS N N 17 120.916 120.916 122.295 -1.379 25957 2789 1 12 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.156 0.247 25957 2790 1 12 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.713 -6.523 25957 2791 1 12 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.099 -5.615 25957 2792 1 12 . 1 1 17 17 LYS H H 17 8.399 8.399 8.762 -0.363 25957 2793 1 12 . 1 1 18 18 ASN N N 18 122.206 122.206 120.562 1.644 25957 2794 1 12 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.545 -0.526 25957 2795 1 12 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.727 -6.066 25957 2796 1 12 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.907 -7.283 25957 2797 1 12 . 1 1 18 18 ASN H H 18 7.735 7.735 8.219 -0.484 25957 2798 1 12 . 1 1 19 19 SER N N 19 113.607 113.607 115.514 -1.907 25957 2799 1 12 . 1 1 19 19 SER HA H 19 4.695 4.695 4.127 0.568 25957 2800 1 12 . 1 1 19 19 SER CB C 19 57.917 57.917 63.264 -5.348 25957 2801 1 12 . 1 1 19 19 SER H H 19 8.196 8.196 8.616 -0.420 25957 2802 1 12 . 1 1 20 20 ALA N N 20 123.347 123.347 120.923 2.424 25957 2803 1 12 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.156 0.307 25957 2804 1 12 . 1 1 20 20 ALA CA C 20 46.211 46.211 52.972 -6.761 25957 2805 1 12 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.578 -5.045 25957 2806 1 12 . 1 1 20 20 ALA H H 20 7.409 7.409 7.979 -0.570 25957 2807 1 12 . 1 1 21 21 GLY N N 21 107.557 107.557 104.961 2.596 25957 2808 1 12 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.860 -4.712 25957 2809 1 12 . 1 1 21 21 GLY H H 21 8.162 8.162 7.589 0.573 25957 2810 1 12 . 1 1 22 22 LYS N N 22 120.341 120.341 122.600 -2.259 25957 2811 1 12 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.354 -0.027 25957 2812 1 12 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.673 -6.644 25957 2813 1 12 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.607 -5.129 25957 2814 1 12 . 1 1 22 22 LYS H H 22 7.621 7.621 7.731 -0.110 25957 2815 1 12 . 1 1 23 23 ASP N N 23 126.799 126.799 126.305 0.494 25957 2816 1 12 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.381 -0.062 25957 2817 1 12 . 1 1 23 23 ASP CA C 23 50.387 50.387 55.283 -4.896 25957 2818 1 12 . 1 1 23 23 ASP CB C 23 35.424 35.424 40.995 -5.571 25957 2819 1 12 . 1 1 23 23 ASP H H 23 8.636 8.636 8.430 0.206 25957 2820 1 12 . 1 1 24 24 THR N N 24 122.688 122.688 117.942 4.746 25957 2821 1 12 . 1 1 24 24 THR HA H 24 4.045 4.045 4.625 -0.580 25957 2822 1 12 . 1 1 24 24 THR CA C 24 56.539 56.539 60.933 -4.394 25957 2823 1 12 . 1 1 24 24 THR CB C 24 65.315 65.315 70.034 -4.719 25957 2824 1 12 . 1 1 24 24 THR H H 24 8.791 8.791 7.880 0.911 25957 2825 1 12 . 1 1 25 25 PHE N N 25 122.187 122.187 124.159 -1.972 25957 2826 1 12 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.894 -3.900 25957 2827 1 12 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.849 -5.258 25957 2828 1 12 . 1 1 25 25 PHE H H 25 8.316 8.316 7.918 0.398 25957 2829 1 12 . 1 1 26 26 ILE N N 26 123.106 123.106 123.122 -0.016 25957 2830 1 12 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.527 0.099 25957 2831 1 12 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.722 -6.336 25957 2832 1 12 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.952 -5.096 25957 2833 1 12 . 1 1 26 26 ILE H H 26 9.104 9.104 8.487 0.617 25957 2834 1 12 . 1 1 27 27 LYS N N 27 127.012 127.012 127.662 -0.650 25957 2835 1 12 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.709 -0.492 25957 2836 1 12 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.946 -3.395 25957 2837 1 12 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.990 -6.047 25957 2838 1 12 . 1 1 27 27 LYS H H 27 8.317 8.317 8.291 0.026 25957 2839 1 12 . 1 1 28 28 CYS N N 28 119.357 119.357 122.795 -3.438 25957 2840 1 12 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.953 -0.390 25957 2841 1 12 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.485 -5.178 25957 2842 1 12 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.552 8.282 25957 2843 1 12 . 1 1 28 28 CYS H H 28 8.402 8.402 8.914 -0.512 25957 2844 1 12 . 1 1 30 30 LYS N N 30 116.694 116.694 117.096 -0.402 25957 2845 1 12 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.447 -0.472 25957 2846 1 12 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.477 -4.588 25957 2847 1 12 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.929 -5.448 25957 2848 1 12 . 1 1 30 30 LYS H H 30 8.007 8.007 8.379 -0.372 25957 2849 1 12 . 1 1 31 31 PHE N N 31 117.093 117.093 119.134 -2.041 25957 2850 1 12 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.533 -0.031 25957 2851 1 12 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.639 -6.204 25957 2852 1 12 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.218 -6.237 25957 2853 1 12 . 1 1 31 31 PHE H H 31 6.453 6.453 7.710 -1.257 25957 2854 1 12 . 1 1 32 32 ASP N N 32 121.556 121.556 121.066 0.490 25957 2855 1 12 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.338 -0.179 25957 2856 1 12 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.956 -5.675 25957 2857 1 12 . 1 1 32 32 ASP H H 32 8.788 8.788 7.695 1.093 25957 2858 1 12 . 1 1 33 33 ASN N N 33 113.280 113.280 117.155 -3.875 25957 2859 1 12 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.264 0.303 25957 2860 1 12 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.792 -6.045 25957 2861 1 12 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.017 -5.845 25957 2862 1 12 . 1 1 33 33 ASN H H 33 8.446 8.446 8.627 -0.181 25957 2863 1 12 . 1 1 34 34 LYS N N 34 117.362 117.362 116.140 1.222 25957 2864 1 12 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.487 0.359 25957 2865 1 12 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.354 -5.445 25957 2866 1 12 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.245 -3.099 25957 2867 1 12 . 1 1 34 34 LYS H H 34 7.652 7.652 7.703 -0.051 25957 2868 1 12 . 1 1 35 35 LYS N N 35 116.833 116.833 118.417 -1.584 25957 2869 1 12 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.444 0.068 25957 2870 1 12 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.672 -5.934 25957 2871 1 12 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.709 -5.573 25957 2872 1 12 . 1 1 35 35 LYS H H 35 6.918 6.918 7.653 -0.735 25957 2873 1 12 . 1 1 36 36 CYS N N 36 117.631 117.631 121.587 -3.956 25957 2874 1 12 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.812 -0.107 25957 2875 1 12 . 1 1 36 36 CYS CB C 36 36.081 36.081 29.140 6.941 25957 2876 1 12 . 1 1 36 36 CYS H H 36 8.542 8.542 8.777 -0.235 25957 2877 1 12 . 1 1 37 37 THR N N 37 122.048 122.048 120.081 1.967 25957 2878 1 12 . 1 1 37 37 THR HA H 37 4.217 4.217 4.686 -0.469 25957 2879 1 12 . 1 1 37 37 THR CA C 37 57.923 57.923 60.681 -2.759 25957 2880 1 12 . 1 1 37 37 THR H H 37 10.132 10.132 8.133 1.999 25957 2881 1 12 . 1 1 38 38 LYS N N 38 122.048 122.048 121.631 0.417 25957 2882 1 12 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.103 0.053 25957 2883 1 12 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.336 -6.087 25957 2884 1 12 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.383 -3.510 25957 2885 1 12 . 1 1 38 38 LYS H H 38 7.254 7.254 8.454 -1.200 25957 2886 1 12 . 1 1 39 39 ASP N N 39 124.813 124.813 121.367 3.446 25957 2887 1 12 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.462 0.124 25957 2888 1 12 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.891 -7.873 25957 2889 1 12 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.607 -5.854 25957 2890 1 12 . 1 1 39 39 ASP H H 39 8.785 8.785 8.751 0.034 25957 2891 1 12 . 1 1 40 40 ASN N N 40 114.848 114.848 117.621 -2.773 25957 2892 1 12 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.626 -0.356 25957 2893 1 12 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.676 -3.306 25957 2894 1 12 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.388 -6.861 25957 2895 1 12 . 1 1 40 40 ASN H H 40 9.453 9.453 8.211 1.242 25957 2896 1 12 . 1 1 41 41 ASN N N 41 120.276 120.276 119.145 1.131 25957 2897 1 12 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.502 0.195 25957 2898 1 12 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.023 -5.322 25957 2899 1 12 . 1 1 41 41 ASN H H 41 7.732 7.732 8.015 -0.283 25957 2900 1 12 . 1 1 42 42 LYS N N 42 119.784 119.784 115.326 4.458 25957 2901 1 12 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.430 -0.043 25957 2902 1 12 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.642 -3.719 25957 2903 1 12 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.415 -5.456 25957 2904 1 12 . 1 1 42 42 LYS H H 42 8.513 8.513 8.262 0.251 25957 2905 1 12 . 1 1 43 43 CYS N N 43 114.096 114.096 120.234 -6.138 25957 2906 1 12 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.488 0.880 25957 2907 1 12 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.778 -11.365 25957 2908 1 12 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.407 17.162 25957 2909 1 12 . 1 1 43 43 CYS H H 43 7.547 7.547 8.230 -0.683 25957 2910 1 12 . 1 1 44 44 THR N N 44 113.240 113.240 121.531 -8.291 25957 2911 1 12 . 1 1 44 44 THR HA H 44 5.245 5.245 4.491 0.754 25957 2912 1 12 . 1 1 44 44 THR CA C 44 54.725 54.725 60.334 -5.609 25957 2913 1 12 . 1 1 44 44 THR CB C 44 66.847 66.847 71.518 -4.671 25957 2914 1 12 . 1 1 44 44 THR H H 44 9.020 9.020 8.088 0.932 25957 2915 1 12 . 1 1 45 45 VAL N N 45 121.946 121.946 121.481 0.465 25957 2916 1 12 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.563 -0.055 25957 2917 1 12 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.731 -5.324 25957 2918 1 12 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.864 -2.266 25957 2919 1 12 . 1 1 45 45 VAL H H 45 8.583 8.583 8.105 0.478 25957 2920 1 12 . 1 1 46 46 ASP N N 46 126.557 126.557 129.470 -2.913 25957 2921 1 12 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.070 0.196 25957 2922 1 12 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.737 -6.957 25957 2923 1 12 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.295 -6.851 25957 2924 1 12 . 1 1 46 46 ASP H H 46 8.574 8.574 8.251 0.323 25957 2925 1 12 . 1 1 47 47 THR N N 47 114.542 114.542 114.713 -0.171 25957 2926 1 12 . 1 1 47 47 THR HA H 47 4.168 4.168 4.446 -0.278 25957 2927 1 12 . 1 1 47 47 THR CA C 47 58.063 58.063 61.627 -3.563 25957 2928 1 12 . 1 1 47 47 THR CB C 47 63.665 63.665 69.262 -5.597 25957 2929 1 12 . 1 1 47 47 THR H H 47 9.049 9.049 8.400 0.649 25957 2930 1 12 . 1 1 48 48 TYR N N 48 123.857 123.857 121.687 2.170 25957 2931 1 12 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.440 -0.044 25957 2932 1 12 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.916 -4.976 25957 2933 1 12 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.699 -5.584 25957 2934 1 12 . 1 1 48 48 TYR H H 48 8.829 8.829 8.059 0.770 25957 2935 1 12 . 1 1 49 49 ASN N N 49 113.728 113.728 115.991 -2.263 25957 2936 1 12 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.816 -0.321 25957 2937 1 12 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.937 -6.342 25957 2938 1 12 . 1 1 49 49 ASN CB C 49 33.140 33.140 37.525 -4.385 25957 2939 1 12 . 1 1 49 49 ASN H H 49 7.480 7.480 8.363 -0.883 25957 2940 1 12 . 1 1 50 50 ASN N N 50 117.093 117.093 114.138 2.955 25957 2941 1 12 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.296 -0.080 25957 2942 1 12 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.309 -5.264 25957 2943 1 12 . 1 1 50 50 ASN CB C 50 31.642 31.642 36.555 -4.913 25957 2944 1 12 . 1 1 50 50 ASN H H 50 7.916 7.916 7.718 0.198 25957 2945 1 12 . 1 1 51 51 ALA N N 51 121.083 121.083 120.728 0.355 25957 2946 1 12 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.568 -0.160 25957 2947 1 12 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.363 -4.280 25957 2948 1 12 . 1 1 51 51 ALA CB C 51 14.993 14.993 21.308 -6.315 25957 2949 1 12 . 1 1 51 51 ALA H H 51 7.796 7.796 7.362 0.434 25957 2950 1 12 . 1 1 52 52 VAL N N 52 125.472 125.472 120.664 4.808 25957 2951 1 12 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.103 0.814 25957 2952 1 12 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.695 -6.406 25957 2953 1 12 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.859 -3.112 25957 2954 1 12 . 1 1 52 52 VAL H H 52 8.247 8.247 8.055 0.192 25957 2955 1 12 . 1 1 53 53 ASP N N 53 125.852 125.852 124.080 1.772 25957 2956 1 12 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.853 0.081 25957 2957 1 12 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.733 -6.030 25957 2958 1 12 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.310 -1.092 25957 2959 1 12 . 1 1 53 53 ASP H H 53 8.613 8.613 8.341 0.272 25957 2960 1 12 . 1 1 54 54 CYS N N 54 122.530 122.530 121.306 1.224 25957 2961 1 12 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.604 0.122 25957 2962 1 12 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.834 -7.980 25957 2963 1 12 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.920 10.234 25957 2964 1 12 . 1 1 54 54 CYS H H 54 8.621 8.621 8.151 0.470 25957 2965 1 13 . 1 1 2 2 LYS N N 2 119.884 119.884 120.373 -0.489 25957 2966 1 13 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.832 -0.139 25957 2967 1 13 . 1 1 2 2 LYS H H 2 8.204 8.204 8.131 0.073 25957 2968 1 13 . 1 1 3 3 TYR N N 3 122.994 122.994 120.212 2.782 25957 2969 1 13 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.719 0.121 25957 2970 1 13 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.736 -6.622 25957 2971 1 13 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.513 -4.520 25957 2972 1 13 . 1 1 3 3 TYR H H 3 8.958 8.958 8.504 0.454 25957 2973 1 13 . 1 1 4 4 THR N N 4 116.889 116.889 119.028 -2.139 25957 2974 1 13 . 1 1 4 4 THR HA H 4 5.047 5.047 4.496 0.551 25957 2975 1 13 . 1 1 4 4 THR CA C 4 56.171 56.171 62.580 -6.409 25957 2976 1 13 . 1 1 4 4 THR CB C 4 65.090 65.090 69.540 -4.450 25957 2977 1 13 . 1 1 4 4 THR H H 4 8.859 8.859 8.582 0.277 25957 2978 1 13 . 1 1 5 5 GLY N N 5 115.377 115.377 112.163 3.214 25957 2979 1 13 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.192 -4.740 25957 2980 1 13 . 1 1 5 5 GLY H H 5 9.107 9.107 7.916 1.191 25957 2981 1 13 . 1 1 6 6 LYS N N 6 121.194 121.194 117.454 3.740 25957 2982 1 13 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.058 0.335 25957 2983 1 13 . 1 1 6 6 LYS CA C 6 48.953 48.953 53.923 -4.970 25957 2984 1 13 . 1 1 6 6 LYS CB C 6 32.341 32.341 34.862 -2.521 25957 2985 1 13 . 1 1 6 6 LYS H H 6 8.391 8.391 7.929 0.462 25957 2986 1 13 . 1 1 7 7 CYS N N 7 122.568 122.568 122.850 -0.282 25957 2987 1 13 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.483 0.867 25957 2988 1 13 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.828 -9.080 25957 2989 1 13 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.403 9.560 25957 2990 1 13 . 1 1 7 7 CYS H H 7 9.802 9.802 8.721 1.081 25957 2991 1 13 . 1 1 8 8 THR N N 8 112.882 112.882 119.158 -6.276 25957 2992 1 13 . 1 1 8 8 THR HA H 8 4.715 4.715 4.646 0.069 25957 2993 1 13 . 1 1 8 8 THR CA C 8 54.652 54.652 60.334 -5.682 25957 2994 1 13 . 1 1 8 8 THR CB C 8 65.734 65.734 70.225 -4.491 25957 2995 1 13 . 1 1 8 8 THR H H 8 8.627 8.627 8.411 0.216 25957 2996 1 13 . 1 1 9 9 LYS N N 9 127.151 127.151 128.999 -1.848 25957 2997 1 13 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.080 -0.504 25957 2998 1 13 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.574 -4.035 25957 2999 1 13 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.026 -3.590 25957 3000 1 13 . 1 1 9 9 LYS H H 9 8.919 8.919 8.918 0.001 25957 3001 1 13 . 1 1 10 10 SER N N 10 116.360 116.360 114.011 2.349 25957 3002 1 13 . 1 1 10 10 SER HA H 10 4.695 4.695 4.311 0.384 25957 3003 1 13 . 1 1 10 10 SER CB C 10 56.449 56.449 63.557 -7.108 25957 3004 1 13 . 1 1 10 10 SER H H 10 9.376 9.376 7.686 1.690 25957 3005 1 13 . 1 1 11 11 LYS N N 11 116.973 116.973 117.982 -1.009 25957 3006 1 13 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.442 -0.260 25957 3007 1 13 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.872 -5.212 25957 3008 1 13 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.456 -5.508 25957 3009 1 13 . 1 1 11 11 LYS H H 11 7.088 7.088 7.517 -0.429 25957 3010 1 13 . 1 1 12 12 ASN N N 12 120.352 120.352 117.355 2.997 25957 3011 1 13 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.360 0.235 25957 3012 1 13 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.448 -6.197 25957 3013 1 13 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.386 -5.511 25957 3014 1 13 . 1 1 12 12 ASN H H 12 7.592 7.592 8.277 -0.685 25957 3015 1 13 . 1 1 13 13 GLU N N 13 114.681 114.681 113.511 1.170 25957 3016 1 13 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.171 -0.285 25957 3017 1 13 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.238 -4.714 25957 3018 1 13 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.166 -4.299 25957 3019 1 13 . 1 1 13 13 GLU H H 13 7.234 7.234 7.649 -0.415 25957 3020 1 13 . 1 1 14 14 CYS N N 14 123.347 123.347 119.357 3.990 25957 3021 1 13 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.248 -0.601 25957 3022 1 13 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.120 -8.643 25957 3023 1 13 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.686 6.150 25957 3024 1 13 . 1 1 14 14 CYS H H 14 9.649 9.649 8.603 1.046 25957 3025 1 13 . 1 1 15 15 LYS N N 15 130.816 130.816 125.554 5.262 25957 3026 1 13 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.596 -0.648 25957 3027 1 13 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.757 -5.699 25957 3028 1 13 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.489 -6.476 25957 3029 1 13 . 1 1 15 15 LYS H H 15 8.650 8.650 8.751 -0.101 25957 3030 1 13 . 1 1 16 16 TYR N N 16 126.576 126.576 122.537 4.039 25957 3031 1 13 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.868 0.066 25957 3032 1 13 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.230 -6.734 25957 3033 1 13 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.534 -4.633 25957 3034 1 13 . 1 1 16 16 TYR H H 16 8.995 8.995 8.058 0.937 25957 3035 1 13 . 1 1 17 17 LYS N N 17 120.916 120.916 122.322 -1.406 25957 3036 1 13 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.227 0.176 25957 3037 1 13 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.319 -6.129 25957 3038 1 13 . 1 1 17 17 LYS CB C 17 27.483 27.483 32.893 -5.410 25957 3039 1 13 . 1 1 17 17 LYS H H 17 8.399 8.399 8.719 -0.320 25957 3040 1 13 . 1 1 18 18 ASN N N 18 122.206 122.206 120.152 2.054 25957 3041 1 13 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.561 -0.542 25957 3042 1 13 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.532 -5.871 25957 3043 1 13 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.979 -7.355 25957 3044 1 13 . 1 1 18 18 ASN H H 18 7.735 7.735 8.209 -0.474 25957 3045 1 13 . 1 1 19 19 SER N N 19 113.607 113.607 115.867 -2.260 25957 3046 1 13 . 1 1 19 19 SER HA H 19 4.695 4.695 4.142 0.553 25957 3047 1 13 . 1 1 19 19 SER CB C 19 57.917 57.917 63.255 -5.338 25957 3048 1 13 . 1 1 19 19 SER H H 19 8.196 8.196 8.644 -0.448 25957 3049 1 13 . 1 1 20 20 ALA N N 20 123.347 123.347 121.131 2.216 25957 3050 1 13 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.148 0.315 25957 3051 1 13 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.038 -6.827 25957 3052 1 13 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.808 -5.275 25957 3053 1 13 . 1 1 20 20 ALA H H 20 7.409 7.409 7.994 -0.585 25957 3054 1 13 . 1 1 21 21 GLY N N 21 107.557 107.557 105.160 2.397 25957 3055 1 13 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.899 -4.751 25957 3056 1 13 . 1 1 21 21 GLY H H 21 8.162 8.162 7.617 0.545 25957 3057 1 13 . 1 1 22 22 LYS N N 22 120.341 120.341 123.332 -2.991 25957 3058 1 13 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.358 -0.031 25957 3059 1 13 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.774 -6.744 25957 3060 1 13 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.560 -5.082 25957 3061 1 13 . 1 1 22 22 LYS H H 22 7.621 7.621 7.779 -0.158 25957 3062 1 13 . 1 1 23 23 ASP N N 23 126.799 126.799 125.193 1.606 25957 3063 1 13 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.373 -0.054 25957 3064 1 13 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.489 -4.102 25957 3065 1 13 . 1 1 23 23 ASP CB C 23 35.424 35.424 40.779 -5.355 25957 3066 1 13 . 1 1 23 23 ASP H H 23 8.636 8.636 8.424 0.212 25957 3067 1 13 . 1 1 24 24 THR N N 24 122.688 122.688 117.330 5.358 25957 3068 1 13 . 1 1 24 24 THR HA H 24 4.045 4.045 4.647 -0.602 25957 3069 1 13 . 1 1 24 24 THR CA C 24 56.539 56.539 61.316 -4.777 25957 3070 1 13 . 1 1 24 24 THR CB C 24 65.315 65.315 70.648 -5.333 25957 3071 1 13 . 1 1 24 24 THR H H 24 8.791 8.791 7.921 0.870 25957 3072 1 13 . 1 1 25 25 PHE N N 25 122.187 122.187 124.984 -2.797 25957 3073 1 13 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.911 -3.917 25957 3074 1 13 . 1 1 25 25 PHE CB C 25 36.591 36.591 42.086 -5.495 25957 3075 1 13 . 1 1 25 25 PHE H H 25 8.316 8.316 7.923 0.393 25957 3076 1 13 . 1 1 26 26 ILE N N 26 123.106 123.106 123.421 -0.315 25957 3077 1 13 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.483 0.143 25957 3078 1 13 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.781 -6.395 25957 3079 1 13 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.190 -5.334 25957 3080 1 13 . 1 1 26 26 ILE H H 26 9.104 9.104 8.668 0.436 25957 3081 1 13 . 1 1 27 27 LYS N N 27 127.012 127.012 127.833 -0.821 25957 3082 1 13 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.728 -0.511 25957 3083 1 13 . 1 1 27 27 LYS CA C 27 52.551 52.551 56.612 -4.061 25957 3084 1 13 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.352 -6.409 25957 3085 1 13 . 1 1 27 27 LYS H H 27 8.317 8.317 8.414 -0.097 25957 3086 1 13 . 1 1 28 28 CYS N N 28 119.357 119.357 123.680 -4.323 25957 3087 1 13 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.936 -0.373 25957 3088 1 13 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.239 -4.931 25957 3089 1 13 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.396 8.438 25957 3090 1 13 . 1 1 28 28 CYS H H 28 8.402 8.402 8.852 -0.450 25957 3091 1 13 . 1 1 30 30 LYS N N 30 116.694 116.694 116.552 0.142 25957 3092 1 13 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.472 -0.497 25957 3093 1 13 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.537 -4.648 25957 3094 1 13 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.575 -5.094 25957 3095 1 13 . 1 1 30 30 LYS H H 30 8.007 8.007 8.450 -0.443 25957 3096 1 13 . 1 1 31 31 PHE N N 31 117.093 117.093 120.066 -2.973 25957 3097 1 13 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.611 -0.109 25957 3098 1 13 . 1 1 31 31 PHE CA C 31 51.435 51.435 56.866 -5.431 25957 3099 1 13 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.581 -5.600 25957 3100 1 13 . 1 1 31 31 PHE H H 31 6.453 6.453 7.632 -1.179 25957 3101 1 13 . 1 1 32 32 ASP N N 32 121.556 121.556 120.998 0.558 25957 3102 1 13 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.353 -0.194 25957 3103 1 13 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.914 -5.633 25957 3104 1 13 . 1 1 32 32 ASP H H 32 8.788 8.788 7.686 1.102 25957 3105 1 13 . 1 1 33 33 ASN N N 33 113.280 113.280 116.886 -3.606 25957 3106 1 13 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.253 0.314 25957 3107 1 13 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.770 -6.022 25957 3108 1 13 . 1 1 33 33 ASN CB C 33 32.172 32.172 37.995 -5.823 25957 3109 1 13 . 1 1 33 33 ASN H H 33 8.446 8.446 8.626 -0.180 25957 3110 1 13 . 1 1 34 34 LYS N N 34 117.362 117.362 116.512 0.850 25957 3111 1 13 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.476 0.370 25957 3112 1 13 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.465 -5.556 25957 3113 1 13 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.528 -3.382 25957 3114 1 13 . 1 1 34 34 LYS H H 34 7.652 7.652 7.658 -0.006 25957 3115 1 13 . 1 1 35 35 LYS N N 35 116.833 116.833 118.338 -1.505 25957 3116 1 13 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.433 0.079 25957 3117 1 13 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.735 -5.997 25957 3118 1 13 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.581 -5.444 25957 3119 1 13 . 1 1 35 35 LYS H H 35 6.918 6.918 7.638 -0.720 25957 3120 1 13 . 1 1 36 36 CYS N N 36 117.631 117.631 121.942 -4.311 25957 3121 1 13 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.700 0.005 25957 3122 1 13 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.429 7.652 25957 3123 1 13 . 1 1 36 36 CYS H H 36 8.542 8.542 8.737 -0.195 25957 3124 1 13 . 1 1 37 37 THR N N 37 122.048 122.048 120.352 1.696 25957 3125 1 13 . 1 1 37 37 THR HA H 37 4.217 4.217 4.544 -0.327 25957 3126 1 13 . 1 1 37 37 THR CA C 37 57.923 57.923 60.335 -2.412 25957 3127 1 13 . 1 1 37 37 THR H H 37 10.132 10.132 8.074 2.058 25957 3128 1 13 . 1 1 38 38 LYS N N 38 122.048 122.048 120.837 1.211 25957 3129 1 13 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.073 0.083 25957 3130 1 13 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.893 -6.644 25957 3131 1 13 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.147 -3.275 25957 3132 1 13 . 1 1 38 38 LYS H H 38 7.254 7.254 8.346 -1.092 25957 3133 1 13 . 1 1 39 39 ASP N N 39 124.813 124.813 120.612 4.201 25957 3134 1 13 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.489 0.097 25957 3135 1 13 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.485 -7.467 25957 3136 1 13 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.828 -6.075 25957 3137 1 13 . 1 1 39 39 ASP H H 39 8.785 8.785 8.636 0.149 25957 3138 1 13 . 1 1 40 40 ASN N N 40 114.848 114.848 116.807 -1.959 25957 3139 1 13 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.613 -0.343 25957 3140 1 13 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.891 -3.521 25957 3141 1 13 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.405 -6.878 25957 3142 1 13 . 1 1 40 40 ASN H H 40 9.453 9.453 8.168 1.285 25957 3143 1 13 . 1 1 41 41 ASN N N 41 120.276 120.276 119.213 1.063 25957 3144 1 13 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.513 0.184 25957 3145 1 13 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.035 -5.334 25957 3146 1 13 . 1 1 41 41 ASN H H 41 7.732 7.732 7.986 -0.254 25957 3147 1 13 . 1 1 42 42 LYS N N 42 119.784 119.784 115.553 4.231 25957 3148 1 13 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.467 -0.080 25957 3149 1 13 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.609 -3.685 25957 3150 1 13 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.386 -5.427 25957 3151 1 13 . 1 1 42 42 LYS H H 42 8.513 8.513 8.556 -0.043 25957 3152 1 13 . 1 1 43 43 CYS N N 43 114.096 114.096 120.525 -6.429 25957 3153 1 13 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.531 0.837 25957 3154 1 13 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.542 -11.129 25957 3155 1 13 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.711 16.858 25957 3156 1 13 . 1 1 43 43 CYS H H 43 7.547 7.547 8.205 -0.658 25957 3157 1 13 . 1 1 44 44 THR N N 44 113.240 113.240 121.342 -8.102 25957 3158 1 13 . 1 1 44 44 THR HA H 44 5.245 5.245 4.435 0.810 25957 3159 1 13 . 1 1 44 44 THR CA C 44 54.725 54.725 60.332 -5.607 25957 3160 1 13 . 1 1 44 44 THR CB C 44 66.847 66.847 71.510 -4.663 25957 3161 1 13 . 1 1 44 44 THR H H 44 9.020 9.020 8.097 0.923 25957 3162 1 13 . 1 1 45 45 VAL N N 45 121.946 121.946 121.660 0.286 25957 3163 1 13 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.478 0.030 25957 3164 1 13 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.647 -5.240 25957 3165 1 13 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.192 -1.594 25957 3166 1 13 . 1 1 45 45 VAL H H 45 8.583 8.583 8.165 0.418 25957 3167 1 13 . 1 1 46 46 ASP N N 46 126.557 126.557 129.975 -3.418 25957 3168 1 13 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.005 0.261 25957 3169 1 13 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.331 -6.551 25957 3170 1 13 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.690 -7.246 25957 3171 1 13 . 1 1 46 46 ASP H H 46 8.574 8.574 8.309 0.265 25957 3172 1 13 . 1 1 47 47 THR N N 47 114.542 114.542 110.200 4.342 25957 3173 1 13 . 1 1 47 47 THR HA H 47 4.168 4.168 4.499 -0.331 25957 3174 1 13 . 1 1 47 47 THR CA C 47 58.063 58.063 61.613 -3.550 25957 3175 1 13 . 1 1 47 47 THR CB C 47 63.665 63.665 69.505 -5.840 25957 3176 1 13 . 1 1 47 47 THR H H 47 9.049 9.049 8.174 0.875 25957 3177 1 13 . 1 1 48 48 TYR N N 48 123.857 123.857 122.164 1.693 25957 3178 1 13 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.481 -0.085 25957 3179 1 13 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.181 -5.240 25957 3180 1 13 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.383 -5.268 25957 3181 1 13 . 1 1 48 48 TYR H H 48 8.829 8.829 8.005 0.824 25957 3182 1 13 . 1 1 49 49 ASN N N 49 113.728 113.728 116.157 -2.429 25957 3183 1 13 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.739 -0.244 25957 3184 1 13 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.049 -6.454 25957 3185 1 13 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.680 -5.540 25957 3186 1 13 . 1 1 49 49 ASN H H 49 7.480 7.480 8.341 -0.861 25957 3187 1 13 . 1 1 50 50 ASN N N 50 117.093 117.093 114.628 2.465 25957 3188 1 13 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.461 -0.245 25957 3189 1 13 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.810 -4.765 25957 3190 1 13 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.943 -6.301 25957 3191 1 13 . 1 1 50 50 ASN H H 50 7.916 7.916 7.836 0.080 25957 3192 1 13 . 1 1 51 51 ALA N N 51 121.083 121.083 121.102 -0.019 25957 3193 1 13 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.346 0.062 25957 3194 1 13 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.232 -5.149 25957 3195 1 13 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.896 -4.903 25957 3196 1 13 . 1 1 51 51 ALA H H 51 7.796 7.796 7.702 0.094 25957 3197 1 13 . 1 1 52 52 VAL N N 52 125.472 125.472 120.433 5.039 25957 3198 1 13 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.176 0.741 25957 3199 1 13 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.164 -5.875 25957 3200 1 13 . 1 1 52 52 VAL CB C 52 29.747 29.747 33.798 -4.051 25957 3201 1 13 . 1 1 52 52 VAL H H 52 8.247 8.247 8.050 0.197 25957 3202 1 13 . 1 1 53 53 ASP N N 53 125.852 125.852 125.767 0.085 25957 3203 1 13 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.882 0.052 25957 3204 1 13 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.673 -5.971 25957 3205 1 13 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.049 -0.831 25957 3206 1 13 . 1 1 53 53 ASP H H 53 8.613 8.613 8.333 0.280 25957 3207 1 13 . 1 1 54 54 CYS N N 54 122.530 122.530 121.146 1.384 25957 3208 1 13 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.630 0.096 25957 3209 1 13 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.721 -7.867 25957 3210 1 13 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.850 10.304 25957 3211 1 13 . 1 1 54 54 CYS H H 54 8.621 8.621 8.101 0.520 25957 3212 1 14 . 1 1 2 2 LYS N N 2 119.884 119.884 121.914 -2.030 25957 3213 1 14 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.669 0.024 25957 3214 1 14 . 1 1 2 2 LYS H H 2 8.204 8.204 8.391 -0.187 25957 3215 1 14 . 1 1 3 3 TYR N N 3 122.994 122.994 119.747 3.247 25957 3216 1 14 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.670 0.170 25957 3217 1 14 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.031 -5.917 25957 3218 1 14 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.951 -4.958 25957 3219 1 14 . 1 1 3 3 TYR H H 3 8.958 8.958 7.870 1.088 25957 3220 1 14 . 1 1 4 4 THR N N 4 116.889 116.889 117.256 -0.367 25957 3221 1 14 . 1 1 4 4 THR HA H 4 5.047 5.047 4.356 0.691 25957 3222 1 14 . 1 1 4 4 THR CA C 4 56.171 56.171 61.346 -5.175 25957 3223 1 14 . 1 1 4 4 THR CB C 4 65.090 65.090 68.418 -3.328 25957 3224 1 14 . 1 1 4 4 THR H H 4 8.859 8.859 8.182 0.677 25957 3225 1 14 . 1 1 5 5 GLY N N 5 115.377 115.377 111.735 3.642 25957 3226 1 14 . 1 1 5 5 GLY CA C 5 39.452 39.452 43.855 -4.403 25957 3227 1 14 . 1 1 5 5 GLY H H 5 9.107 9.107 7.878 1.229 25957 3228 1 14 . 1 1 6 6 LYS N N 6 121.194 121.194 119.228 1.966 25957 3229 1 14 . 1 1 6 6 LYS HA H 6 5.393 5.393 4.985 0.408 25957 3230 1 14 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.551 -5.598 25957 3231 1 14 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.327 -2.986 25957 3232 1 14 . 1 1 6 6 LYS H H 6 8.391 8.391 8.099 0.292 25957 3233 1 14 . 1 1 7 7 CYS N N 7 122.568 122.568 123.061 -0.493 25957 3234 1 14 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.446 0.904 25957 3235 1 14 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.581 -8.833 25957 3236 1 14 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.096 9.867 25957 3237 1 14 . 1 1 7 7 CYS H H 7 9.802 9.802 8.762 1.040 25957 3238 1 14 . 1 1 8 8 THR N N 8 112.882 112.882 119.287 -6.405 25957 3239 1 14 . 1 1 8 8 THR HA H 8 4.715 4.715 4.602 0.113 25957 3240 1 14 . 1 1 8 8 THR CA C 8 54.652 54.652 60.390 -5.738 25957 3241 1 14 . 1 1 8 8 THR CB C 8 65.734 65.734 70.448 -4.714 25957 3242 1 14 . 1 1 8 8 THR H H 8 8.627 8.627 8.509 0.118 25957 3243 1 14 . 1 1 9 9 LYS N N 9 127.151 127.151 129.587 -2.436 25957 3244 1 14 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.082 -0.506 25957 3245 1 14 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.499 -3.960 25957 3246 1 14 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.904 -3.468 25957 3247 1 14 . 1 1 9 9 LYS H H 9 8.919 8.919 8.979 -0.060 25957 3248 1 14 . 1 1 10 10 SER N N 10 116.360 116.360 114.073 2.287 25957 3249 1 14 . 1 1 10 10 SER HA H 10 4.695 4.695 4.284 0.411 25957 3250 1 14 . 1 1 10 10 SER CB C 10 56.449 56.449 63.509 -7.060 25957 3251 1 14 . 1 1 10 10 SER H H 10 9.376 9.376 7.695 1.681 25957 3252 1 14 . 1 1 11 11 LYS N N 11 116.973 116.973 118.105 -1.132 25957 3253 1 14 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.448 -0.266 25957 3254 1 14 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.101 -4.441 25957 3255 1 14 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.453 -5.505 25957 3256 1 14 . 1 1 11 11 LYS H H 11 7.088 7.088 7.622 -0.534 25957 3257 1 14 . 1 1 12 12 ASN N N 12 120.352 120.352 117.798 2.554 25957 3258 1 14 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.360 0.235 25957 3259 1 14 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.624 -6.373 25957 3260 1 14 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.442 -5.567 25957 3261 1 14 . 1 1 12 12 ASN H H 12 7.592 7.592 8.245 -0.653 25957 3262 1 14 . 1 1 13 13 GLU N N 13 114.681 114.681 113.770 0.911 25957 3263 1 14 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.029 -0.143 25957 3264 1 14 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.337 -4.813 25957 3265 1 14 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.112 -4.245 25957 3266 1 14 . 1 1 13 13 GLU H H 13 7.234 7.234 7.639 -0.405 25957 3267 1 14 . 1 1 14 14 CYS N N 14 123.347 123.347 119.492 3.855 25957 3268 1 14 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.208 -0.561 25957 3269 1 14 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.334 -8.857 25957 3270 1 14 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.091 6.745 25957 3271 1 14 . 1 1 14 14 CYS H H 14 9.649 9.649 8.515 1.134 25957 3272 1 14 . 1 1 15 15 LYS N N 15 130.816 130.816 127.077 3.739 25957 3273 1 14 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.414 -0.466 25957 3274 1 14 . 1 1 15 15 LYS CA C 15 49.058 49.058 55.038 -5.980 25957 3275 1 14 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.294 -6.281 25957 3276 1 14 . 1 1 15 15 LYS H H 15 8.650 8.650 8.773 -0.123 25957 3277 1 14 . 1 1 16 16 TYR N N 16 126.576 126.576 123.805 2.771 25957 3278 1 14 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.701 0.233 25957 3279 1 14 . 1 1 16 16 TYR CA C 16 49.496 49.496 57.906 -8.410 25957 3280 1 14 . 1 1 16 16 TYR CB C 16 35.901 35.901 42.269 -6.368 25957 3281 1 14 . 1 1 16 16 TYR H H 16 8.995 8.995 8.192 0.803 25957 3282 1 14 . 1 1 17 17 LYS N N 17 120.916 120.916 122.987 -2.071 25957 3283 1 14 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.303 0.100 25957 3284 1 14 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.634 -6.444 25957 3285 1 14 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.307 -5.824 25957 3286 1 14 . 1 1 17 17 LYS H H 17 8.399 8.399 7.724 0.675 25957 3287 1 14 . 1 1 18 18 ASN N N 18 122.206 122.206 122.068 0.138 25957 3288 1 14 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.799 -0.780 25957 3289 1 14 . 1 1 18 18 ASN CA C 18 45.661 45.661 52.156 -6.495 25957 3290 1 14 . 1 1 18 18 ASN CB C 18 32.624 32.624 40.065 -7.441 25957 3291 1 14 . 1 1 18 18 ASN H H 18 7.735 7.735 8.310 -0.575 25957 3292 1 14 . 1 1 19 19 SER N N 19 113.607 113.607 113.586 0.021 25957 3293 1 14 . 1 1 19 19 SER HA H 19 4.695 4.695 4.199 0.496 25957 3294 1 14 . 1 1 19 19 SER CB C 19 57.917 57.917 63.126 -5.209 25957 3295 1 14 . 1 1 19 19 SER H H 19 8.196 8.196 8.621 -0.425 25957 3296 1 14 . 1 1 20 20 ALA N N 20 123.347 123.347 120.390 2.957 25957 3297 1 14 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.202 0.261 25957 3298 1 14 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.148 -6.937 25957 3299 1 14 . 1 1 20 20 ALA CB C 20 13.533 13.533 19.261 -5.728 25957 3300 1 14 . 1 1 20 20 ALA H H 20 7.409 7.409 8.293 -0.884 25957 3301 1 14 . 1 1 21 21 GLY N N 21 107.557 107.557 104.895 2.662 25957 3302 1 14 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.907 -4.759 25957 3303 1 14 . 1 1 21 21 GLY H H 21 8.162 8.162 7.666 0.496 25957 3304 1 14 . 1 1 22 22 LYS N N 22 120.341 120.341 122.640 -2.299 25957 3305 1 14 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.283 0.044 25957 3306 1 14 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.902 -6.872 25957 3307 1 14 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.604 -5.126 25957 3308 1 14 . 1 1 22 22 LYS H H 22 7.621 7.621 7.765 -0.144 25957 3309 1 14 . 1 1 23 23 ASP N N 23 126.799 126.799 124.496 2.303 25957 3310 1 14 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.460 -0.141 25957 3311 1 14 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.406 -4.019 25957 3312 1 14 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.165 -5.741 25957 3313 1 14 . 1 1 23 23 ASP H H 23 8.636 8.636 8.413 0.223 25957 3314 1 14 . 1 1 24 24 THR N N 24 122.688 122.688 118.019 4.669 25957 3315 1 14 . 1 1 24 24 THR HA H 24 4.045 4.045 4.623 -0.578 25957 3316 1 14 . 1 1 24 24 THR CA C 24 56.539 56.539 60.944 -4.405 25957 3317 1 14 . 1 1 24 24 THR CB C 24 65.315 65.315 69.894 -4.579 25957 3318 1 14 . 1 1 24 24 THR H H 24 8.791 8.791 8.269 0.522 25957 3319 1 14 . 1 1 25 25 PHE N N 25 122.187 122.187 126.201 -4.014 25957 3320 1 14 . 1 1 25 25 PHE CA C 25 50.994 50.994 55.061 -4.067 25957 3321 1 14 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.437 -4.846 25957 3322 1 14 . 1 1 25 25 PHE H H 25 8.316 8.316 8.115 0.201 25957 3323 1 14 . 1 1 26 26 ILE N N 26 123.106 123.106 123.934 -0.828 25957 3324 1 14 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.422 0.204 25957 3325 1 14 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.148 -5.762 25957 3326 1 14 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.216 -5.360 25957 3327 1 14 . 1 1 26 26 ILE H H 26 9.104 9.104 8.498 0.606 25957 3328 1 14 . 1 1 27 27 LYS N N 27 127.012 127.012 127.993 -0.981 25957 3329 1 14 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.671 -0.454 25957 3330 1 14 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.891 -3.340 25957 3331 1 14 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.763 -5.820 25957 3332 1 14 . 1 1 27 27 LYS H H 27 8.317 8.317 8.304 0.013 25957 3333 1 14 . 1 1 28 28 CYS N N 28 119.357 119.357 123.845 -4.488 25957 3334 1 14 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.942 -0.379 25957 3335 1 14 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.639 -5.332 25957 3336 1 14 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.319 8.515 25957 3337 1 14 . 1 1 28 28 CYS H H 28 8.402 8.402 8.709 -0.307 25957 3338 1 14 . 1 1 30 30 LYS N N 30 116.694 116.694 116.553 0.141 25957 3339 1 14 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.493 -0.518 25957 3340 1 14 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.262 -4.373 25957 3341 1 14 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.409 -4.928 25957 3342 1 14 . 1 1 30 30 LYS H H 30 8.007 8.007 8.459 -0.452 25957 3343 1 14 . 1 1 31 31 PHE N N 31 117.093 117.093 119.876 -2.783 25957 3344 1 14 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.590 -0.088 25957 3345 1 14 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.420 -5.986 25957 3346 1 14 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.069 -6.088 25957 3347 1 14 . 1 1 31 31 PHE H H 31 6.453 6.453 7.628 -1.175 25957 3348 1 14 . 1 1 32 32 ASP N N 32 121.556 121.556 120.597 0.959 25957 3349 1 14 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.387 -0.228 25957 3350 1 14 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.289 -6.008 25957 3351 1 14 . 1 1 32 32 ASP H H 32 8.788 8.788 7.903 0.885 25957 3352 1 14 . 1 1 33 33 ASN N N 33 113.280 113.280 116.271 -2.991 25957 3353 1 14 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.408 0.159 25957 3354 1 14 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.778 -6.031 25957 3355 1 14 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.049 -5.877 25957 3356 1 14 . 1 1 33 33 ASN H H 33 8.446 8.446 8.710 -0.264 25957 3357 1 14 . 1 1 34 34 LYS N N 34 117.362 117.362 116.428 0.934 25957 3358 1 14 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.491 0.355 25957 3359 1 14 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.332 -5.423 25957 3360 1 14 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.252 -3.106 25957 3361 1 14 . 1 1 34 34 LYS H H 34 7.652 7.652 7.681 -0.029 25957 3362 1 14 . 1 1 35 35 LYS N N 35 116.833 116.833 118.606 -1.773 25957 3363 1 14 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.438 0.074 25957 3364 1 14 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.735 -5.997 25957 3365 1 14 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.540 -5.404 25957 3366 1 14 . 1 1 35 35 LYS H H 35 6.918 6.918 7.672 -0.754 25957 3367 1 14 . 1 1 36 36 CYS N N 36 117.631 117.631 121.748 -4.117 25957 3368 1 14 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.800 -0.095 25957 3369 1 14 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.649 7.432 25957 3370 1 14 . 1 1 36 36 CYS H H 36 8.542 8.542 8.674 -0.132 25957 3371 1 14 . 1 1 37 37 THR N N 37 122.048 122.048 120.241 1.807 25957 3372 1 14 . 1 1 37 37 THR HA H 37 4.217 4.217 4.601 -0.384 25957 3373 1 14 . 1 1 37 37 THR CA C 37 57.923 57.923 60.264 -2.341 25957 3374 1 14 . 1 1 37 37 THR H H 37 10.132 10.132 8.143 1.989 25957 3375 1 14 . 1 1 38 38 LYS N N 38 122.048 122.048 121.359 0.689 25957 3376 1 14 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.114 0.042 25957 3377 1 14 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.380 -6.130 25957 3378 1 14 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.471 -3.599 25957 3379 1 14 . 1 1 38 38 LYS H H 38 7.254 7.254 8.396 -1.142 25957 3380 1 14 . 1 1 39 39 ASP N N 39 124.813 124.813 121.154 3.659 25957 3381 1 14 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.515 0.071 25957 3382 1 14 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.691 -7.673 25957 3383 1 14 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.654 -5.901 25957 3384 1 14 . 1 1 39 39 ASP H H 39 8.785 8.785 8.722 0.063 25957 3385 1 14 . 1 1 40 40 ASN N N 40 114.848 114.848 116.841 -1.993 25957 3386 1 14 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.586 -0.316 25957 3387 1 14 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.497 -3.127 25957 3388 1 14 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.418 -6.891 25957 3389 1 14 . 1 1 40 40 ASN H H 40 9.453 9.453 8.368 1.085 25957 3390 1 14 . 1 1 41 41 ASN N N 41 120.276 120.276 118.695 1.581 25957 3391 1 14 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.508 0.190 25957 3392 1 14 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.956 -5.255 25957 3393 1 14 . 1 1 41 41 ASN H H 41 7.732 7.732 8.130 -0.398 25957 3394 1 14 . 1 1 42 42 LYS N N 42 119.784 119.784 116.345 3.439 25957 3395 1 14 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.408 -0.021 25957 3396 1 14 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.518 -3.594 25957 3397 1 14 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.881 -4.922 25957 3398 1 14 . 1 1 42 42 LYS H H 42 8.513 8.513 8.245 0.268 25957 3399 1 14 . 1 1 43 43 CYS N N 43 114.096 114.096 120.912 -6.816 25957 3400 1 14 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.513 0.855 25957 3401 1 14 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.715 -11.302 25957 3402 1 14 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.149 17.420 25957 3403 1 14 . 1 1 43 43 CYS H H 43 7.547 7.547 8.260 -0.713 25957 3404 1 14 . 1 1 44 44 THR N N 44 113.240 113.240 121.643 -8.403 25957 3405 1 14 . 1 1 44 44 THR HA H 44 5.245 5.245 4.451 0.794 25957 3406 1 14 . 1 1 44 44 THR CA C 44 54.725 54.725 60.421 -5.696 25957 3407 1 14 . 1 1 44 44 THR CB C 44 66.847 66.847 71.945 -5.098 25957 3408 1 14 . 1 1 44 44 THR H H 44 9.020 9.020 8.136 0.884 25957 3409 1 14 . 1 1 45 45 VAL N N 45 121.946 121.946 122.268 -0.322 25957 3410 1 14 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.685 -0.177 25957 3411 1 14 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.120 -4.713 25957 3412 1 14 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.897 -2.299 25957 3413 1 14 . 1 1 45 45 VAL H H 45 8.583 8.583 8.084 0.499 25957 3414 1 14 . 1 1 46 46 ASP N N 46 126.557 126.557 130.039 -3.482 25957 3415 1 14 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.047 0.219 25957 3416 1 14 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.774 -6.994 25957 3417 1 14 . 1 1 46 46 ASP CB C 46 37.444 37.444 45.018 -7.574 25957 3418 1 14 . 1 1 46 46 ASP H H 46 8.574 8.574 8.267 0.307 25957 3419 1 14 . 1 1 47 47 THR N N 47 114.542 114.542 110.832 3.710 25957 3420 1 14 . 1 1 47 47 THR HA H 47 4.168 4.168 4.485 -0.317 25957 3421 1 14 . 1 1 47 47 THR CA C 47 58.063 58.063 61.691 -3.628 25957 3422 1 14 . 1 1 47 47 THR CB C 47 63.665 63.665 69.867 -6.202 25957 3423 1 14 . 1 1 47 47 THR H H 47 9.049 9.049 8.115 0.934 25957 3424 1 14 . 1 1 48 48 TYR N N 48 123.857 123.857 122.607 1.250 25957 3425 1 14 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.417 -0.021 25957 3426 1 14 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.827 -4.887 25957 3427 1 14 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.587 -5.472 25957 3428 1 14 . 1 1 48 48 TYR H H 48 8.829 8.829 7.788 1.041 25957 3429 1 14 . 1 1 49 49 ASN N N 49 113.728 113.728 116.404 -2.676 25957 3430 1 14 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.688 -0.193 25957 3431 1 14 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.102 -6.507 25957 3432 1 14 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.385 -5.245 25957 3433 1 14 . 1 1 49 49 ASN H H 49 7.480 7.480 8.329 -0.849 25957 3434 1 14 . 1 1 50 50 ASN N N 50 117.093 117.093 114.899 2.194 25957 3435 1 14 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.407 -0.191 25957 3436 1 14 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.002 -4.957 25957 3437 1 14 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.371 -5.729 25957 3438 1 14 . 1 1 50 50 ASN H H 50 7.916 7.916 7.974 -0.058 25957 3439 1 14 . 1 1 51 51 ALA N N 51 121.083 121.083 120.746 0.337 25957 3440 1 14 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.423 -0.015 25957 3441 1 14 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.045 -4.962 25957 3442 1 14 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.052 -5.059 25957 3443 1 14 . 1 1 51 51 ALA H H 51 7.796 7.796 7.534 0.262 25957 3444 1 14 . 1 1 52 52 VAL N N 52 125.472 125.472 121.164 4.308 25957 3445 1 14 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.086 0.831 25957 3446 1 14 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.614 -6.325 25957 3447 1 14 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.828 -3.081 25957 3448 1 14 . 1 1 52 52 VAL H H 52 8.247 8.247 7.970 0.277 25957 3449 1 14 . 1 1 53 53 ASP N N 53 125.852 125.852 124.046 1.806 25957 3450 1 14 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.889 0.045 25957 3451 1 14 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.743 -6.040 25957 3452 1 14 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.321 -1.103 25957 3453 1 14 . 1 1 53 53 ASP H H 53 8.613 8.613 8.354 0.259 25957 3454 1 14 . 1 1 54 54 CYS N N 54 122.530 122.530 121.260 1.270 25957 3455 1 14 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.621 0.105 25957 3456 1 14 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.913 -8.059 25957 3457 1 14 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.937 10.217 25957 3458 1 14 . 1 1 54 54 CYS H H 54 8.621 8.621 8.161 0.460 25957 3459 1 15 . 1 1 2 2 LYS N N 2 119.884 119.884 118.580 1.304 25957 3460 1 15 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.729 -0.036 25957 3461 1 15 . 1 1 2 2 LYS H H 2 8.204 8.204 7.540 0.664 25957 3462 1 15 . 1 1 3 3 TYR N N 3 122.994 122.994 120.531 2.463 25957 3463 1 15 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.739 0.101 25957 3464 1 15 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.787 -6.673 25957 3465 1 15 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.345 -4.352 25957 3466 1 15 . 1 1 3 3 TYR H H 3 8.958 8.958 8.745 0.213 25957 3467 1 15 . 1 1 4 4 THR N N 4 116.889 116.889 118.339 -1.450 25957 3468 1 15 . 1 1 4 4 THR HA H 4 5.047 5.047 4.584 0.463 25957 3469 1 15 . 1 1 4 4 THR CA C 4 56.171 56.171 61.892 -5.721 25957 3470 1 15 . 1 1 4 4 THR CB C 4 65.090 65.090 69.105 -4.015 25957 3471 1 15 . 1 1 4 4 THR H H 4 8.859 8.859 8.542 0.317 25957 3472 1 15 . 1 1 5 5 GLY N N 5 115.377 115.377 112.351 3.026 25957 3473 1 15 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.063 -4.611 25957 3474 1 15 . 1 1 5 5 GLY H H 5 9.107 9.107 8.068 1.039 25957 3475 1 15 . 1 1 6 6 LYS N N 6 121.194 121.194 116.944 4.250 25957 3476 1 15 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.207 0.186 25957 3477 1 15 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.578 -5.625 25957 3478 1 15 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.678 -3.337 25957 3479 1 15 . 1 1 6 6 LYS H H 6 8.391 8.391 7.880 0.511 25957 3480 1 15 . 1 1 7 7 CYS N N 7 122.568 122.568 122.513 0.055 25957 3481 1 15 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.414 0.936 25957 3482 1 15 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.514 -8.766 25957 3483 1 15 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.992 9.971 25957 3484 1 15 . 1 1 7 7 CYS H H 7 9.802 9.802 8.744 1.058 25957 3485 1 15 . 1 1 8 8 THR N N 8 112.882 112.882 118.690 -5.808 25957 3486 1 15 . 1 1 8 8 THR HA H 8 4.715 4.715 4.599 0.116 25957 3487 1 15 . 1 1 8 8 THR CA C 8 54.652 54.652 60.418 -5.766 25957 3488 1 15 . 1 1 8 8 THR CB C 8 65.734 65.734 70.389 -4.655 25957 3489 1 15 . 1 1 8 8 THR H H 8 8.627 8.627 8.521 0.106 25957 3490 1 15 . 1 1 9 9 LYS N N 9 127.151 127.151 129.649 -2.498 25957 3491 1 15 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.122 -0.546 25957 3492 1 15 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.396 -3.857 25957 3493 1 15 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.221 -3.784 25957 3494 1 15 . 1 1 9 9 LYS H H 9 8.919 8.919 8.983 -0.064 25957 3495 1 15 . 1 1 10 10 SER N N 10 116.360 116.360 114.477 1.883 25957 3496 1 15 . 1 1 10 10 SER HA H 10 4.695 4.695 4.272 0.423 25957 3497 1 15 . 1 1 10 10 SER CB C 10 56.449 56.449 63.512 -7.063 25957 3498 1 15 . 1 1 10 10 SER H H 10 9.376 9.376 7.824 1.552 25957 3499 1 15 . 1 1 11 11 LYS N N 11 116.973 116.973 118.447 -1.474 25957 3500 1 15 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.472 -0.290 25957 3501 1 15 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.847 -5.187 25957 3502 1 15 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.585 -5.637 25957 3503 1 15 . 1 1 11 11 LYS H H 11 7.088 7.088 7.567 -0.479 25957 3504 1 15 . 1 1 12 12 ASN N N 12 120.352 120.352 117.209 3.143 25957 3505 1 15 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.432 0.163 25957 3506 1 15 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.422 -6.171 25957 3507 1 15 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.505 -5.630 25957 3508 1 15 . 1 1 12 12 ASN H H 12 7.592 7.592 8.408 -0.816 25957 3509 1 15 . 1 1 13 13 GLU N N 13 114.681 114.681 114.799 -0.118 25957 3510 1 15 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.275 -0.389 25957 3511 1 15 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.613 -5.089 25957 3512 1 15 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.828 -4.961 25957 3513 1 15 . 1 1 13 13 GLU H H 13 7.234 7.234 7.573 -0.339 25957 3514 1 15 . 1 1 14 14 CYS N N 14 123.347 123.347 118.978 4.369 25957 3515 1 15 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.215 -0.568 25957 3516 1 15 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.079 -8.602 25957 3517 1 15 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.865 5.971 25957 3518 1 15 . 1 1 14 14 CYS H H 14 9.649 9.649 8.793 0.856 25957 3519 1 15 . 1 1 15 15 LYS N N 15 130.816 130.816 122.217 8.599 25957 3520 1 15 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.724 -0.776 25957 3521 1 15 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.882 -5.824 25957 3522 1 15 . 1 1 15 15 LYS CB C 15 29.013 29.013 36.025 -7.012 25957 3523 1 15 . 1 1 15 15 LYS H H 15 8.650 8.650 8.332 0.318 25957 3524 1 15 . 1 1 16 16 TYR N N 16 126.576 126.576 120.045 6.531 25957 3525 1 15 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.934 -0.000 25957 3526 1 15 . 1 1 16 16 TYR CA C 16 49.496 49.496 55.879 -6.383 25957 3527 1 15 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.412 -5.511 25957 3528 1 15 . 1 1 16 16 TYR H H 16 8.995 8.995 8.012 0.983 25957 3529 1 15 . 1 1 17 17 LYS N N 17 120.916 120.916 122.670 -1.754 25957 3530 1 15 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.148 0.255 25957 3531 1 15 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.661 -6.471 25957 3532 1 15 . 1 1 17 17 LYS CB C 17 27.483 27.483 32.594 -5.111 25957 3533 1 15 . 1 1 17 17 LYS H H 17 8.399 8.399 8.664 -0.265 25957 3534 1 15 . 1 1 18 18 ASN N N 18 122.206 122.206 123.253 -1.047 25957 3535 1 15 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.798 -0.779 25957 3536 1 15 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.766 -6.105 25957 3537 1 15 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.465 -6.840 25957 3538 1 15 . 1 1 18 18 ASN H H 18 7.735 7.735 8.098 -0.363 25957 3539 1 15 . 1 1 19 19 SER N N 19 113.607 113.607 116.039 -2.432 25957 3540 1 15 . 1 1 19 19 SER HA H 19 4.695 4.695 4.157 0.538 25957 3541 1 15 . 1 1 19 19 SER CB C 19 57.917 57.917 63.062 -5.145 25957 3542 1 15 . 1 1 19 19 SER H H 19 8.196 8.196 8.658 -0.462 25957 3543 1 15 . 1 1 20 20 ALA N N 20 123.347 123.347 120.824 2.523 25957 3544 1 15 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.183 0.280 25957 3545 1 15 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.014 -6.803 25957 3546 1 15 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.636 -5.103 25957 3547 1 15 . 1 1 20 20 ALA H H 20 7.409 7.409 7.884 -0.475 25957 3548 1 15 . 1 1 21 21 GLY N N 21 107.557 107.557 105.416 2.141 25957 3549 1 15 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.060 -4.912 25957 3550 1 15 . 1 1 21 21 GLY H H 21 8.162 8.162 7.690 0.472 25957 3551 1 15 . 1 1 22 22 LYS N N 22 120.341 120.341 122.839 -2.498 25957 3552 1 15 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.247 0.080 25957 3553 1 15 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.813 -6.783 25957 3554 1 15 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.548 -5.070 25957 3555 1 15 . 1 1 22 22 LYS H H 22 7.621 7.621 7.794 -0.173 25957 3556 1 15 . 1 1 23 23 ASP N N 23 126.799 126.799 122.893 3.906 25957 3557 1 15 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.294 0.025 25957 3558 1 15 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.439 -4.052 25957 3559 1 15 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.201 -5.777 25957 3560 1 15 . 1 1 23 23 ASP H H 23 8.636 8.636 8.439 0.197 25957 3561 1 15 . 1 1 24 24 THR N N 24 122.688 122.688 117.262 5.426 25957 3562 1 15 . 1 1 24 24 THR HA H 24 4.045 4.045 4.358 -0.313 25957 3563 1 15 . 1 1 24 24 THR CA C 24 56.539 56.539 60.797 -4.258 25957 3564 1 15 . 1 1 24 24 THR CB C 24 65.315 65.315 70.208 -4.893 25957 3565 1 15 . 1 1 24 24 THR H H 24 8.791 8.791 7.909 0.882 25957 3566 1 15 . 1 1 25 25 PHE N N 25 122.187 122.187 125.173 -2.986 25957 3567 1 15 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.920 -3.926 25957 3568 1 15 . 1 1 25 25 PHE CB C 25 36.591 36.591 40.754 -4.163 25957 3569 1 15 . 1 1 25 25 PHE H H 25 8.316 8.316 7.636 0.680 25957 3570 1 15 . 1 1 26 26 ILE N N 26 123.106 123.106 124.389 -1.283 25957 3571 1 15 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.567 0.059 25957 3572 1 15 . 1 1 26 26 ILE CA C 26 54.386 54.386 58.682 -4.296 25957 3573 1 15 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.361 -5.505 25957 3574 1 15 . 1 1 26 26 ILE H H 26 9.104 9.104 9.120 -0.016 25957 3575 1 15 . 1 1 27 27 LYS N N 27 127.012 127.012 126.664 0.348 25957 3576 1 15 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.664 -0.447 25957 3577 1 15 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.834 -3.284 25957 3578 1 15 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.659 -5.716 25957 3579 1 15 . 1 1 27 27 LYS H H 27 8.317 8.317 8.420 -0.103 25957 3580 1 15 . 1 1 28 28 CYS N N 28 119.357 119.357 124.327 -4.970 25957 3581 1 15 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.941 -0.378 25957 3582 1 15 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.867 -5.560 25957 3583 1 15 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.442 7.392 25957 3584 1 15 . 1 1 28 28 CYS H H 28 8.402 8.402 8.733 -0.331 25957 3585 1 15 . 1 1 30 30 LYS N N 30 116.694 116.694 116.898 -0.204 25957 3586 1 15 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.456 -0.481 25957 3587 1 15 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.627 -4.737 25957 3588 1 15 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.763 -5.282 25957 3589 1 15 . 1 1 30 30 LYS H H 30 8.007 8.007 8.406 -0.399 25957 3590 1 15 . 1 1 31 31 PHE N N 31 117.093 117.093 119.466 -2.373 25957 3591 1 15 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.537 -0.035 25957 3592 1 15 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.519 -6.084 25957 3593 1 15 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.233 -6.252 25957 3594 1 15 . 1 1 31 31 PHE H H 31 6.453 6.453 7.739 -1.286 25957 3595 1 15 . 1 1 32 32 ASP N N 32 121.556 121.556 120.643 0.913 25957 3596 1 15 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.361 -0.202 25957 3597 1 15 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.309 -6.029 25957 3598 1 15 . 1 1 32 32 ASP H H 32 8.788 8.788 7.856 0.932 25957 3599 1 15 . 1 1 33 33 ASN N N 33 113.280 113.280 116.436 -3.156 25957 3600 1 15 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.315 0.252 25957 3601 1 15 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.753 -6.006 25957 3602 1 15 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.224 -6.052 25957 3603 1 15 . 1 1 33 33 ASN H H 33 8.446 8.446 8.745 -0.299 25957 3604 1 15 . 1 1 34 34 LYS N N 34 117.362 117.362 115.823 1.539 25957 3605 1 15 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.508 0.338 25957 3606 1 15 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.648 -5.739 25957 3607 1 15 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.596 -3.450 25957 3608 1 15 . 1 1 34 34 LYS H H 34 7.652 7.652 7.509 0.143 25957 3609 1 15 . 1 1 35 35 LYS N N 35 116.833 116.833 118.038 -1.205 25957 3610 1 15 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.429 0.083 25957 3611 1 15 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.416 -5.678 25957 3612 1 15 . 1 1 35 35 LYS CB C 35 28.136 28.136 34.009 -5.873 25957 3613 1 15 . 1 1 35 35 LYS H H 35 6.918 6.918 7.638 -0.720 25957 3614 1 15 . 1 1 36 36 CYS N N 36 117.631 117.631 121.749 -4.118 25957 3615 1 15 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.772 -0.067 25957 3616 1 15 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.519 7.562 25957 3617 1 15 . 1 1 36 36 CYS H H 36 8.542 8.542 8.674 -0.132 25957 3618 1 15 . 1 1 37 37 THR N N 37 122.048 122.048 119.571 2.477 25957 3619 1 15 . 1 1 37 37 THR HA H 37 4.217 4.217 4.608 -0.391 25957 3620 1 15 . 1 1 37 37 THR CA C 37 57.923 57.923 59.634 -1.711 25957 3621 1 15 . 1 1 37 37 THR H H 37 10.132 10.132 8.193 1.939 25957 3622 1 15 . 1 1 38 38 LYS N N 38 122.048 122.048 121.394 0.654 25957 3623 1 15 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.088 0.068 25957 3624 1 15 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.404 -6.155 25957 3625 1 15 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.547 -3.675 25957 3626 1 15 . 1 1 38 38 LYS H H 38 7.254 7.254 8.336 -1.082 25957 3627 1 15 . 1 1 39 39 ASP N N 39 124.813 124.813 121.693 3.120 25957 3628 1 15 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.436 0.150 25957 3629 1 15 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.760 -7.742 25957 3630 1 15 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.631 -5.878 25957 3631 1 15 . 1 1 39 39 ASP H H 39 8.785 8.785 8.717 0.068 25957 3632 1 15 . 1 1 40 40 ASN N N 40 114.848 114.848 116.630 -1.782 25957 3633 1 15 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.606 -0.336 25957 3634 1 15 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.558 -3.188 25957 3635 1 15 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.309 -6.782 25957 3636 1 15 . 1 1 40 40 ASN H H 40 9.453 9.453 8.319 1.134 25957 3637 1 15 . 1 1 41 41 ASN N N 41 120.276 120.276 118.807 1.469 25957 3638 1 15 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.510 0.187 25957 3639 1 15 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.036 -5.335 25957 3640 1 15 . 1 1 41 41 ASN H H 41 7.732 7.732 7.459 0.273 25957 3641 1 15 . 1 1 42 42 LYS N N 42 119.784 119.784 115.928 3.856 25957 3642 1 15 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.438 -0.051 25957 3643 1 15 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.510 -3.586 25957 3644 1 15 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.902 -4.943 25957 3645 1 15 . 1 1 42 42 LYS H H 42 8.513 8.513 8.253 0.260 25957 3646 1 15 . 1 1 43 43 CYS N N 43 114.096 114.096 120.707 -6.611 25957 3647 1 15 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.507 0.861 25957 3648 1 15 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.726 -11.313 25957 3649 1 15 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.279 17.290 25957 3650 1 15 . 1 1 43 43 CYS H H 43 7.547 7.547 8.291 -0.744 25957 3651 1 15 . 1 1 44 44 THR N N 44 113.240 113.240 121.628 -8.388 25957 3652 1 15 . 1 1 44 44 THR HA H 44 5.245 5.245 4.496 0.749 25957 3653 1 15 . 1 1 44 44 THR CA C 44 54.725 54.725 60.996 -6.271 25957 3654 1 15 . 1 1 44 44 THR CB C 44 66.847 66.847 71.982 -5.135 25957 3655 1 15 . 1 1 44 44 THR H H 44 9.020 9.020 8.184 0.836 25957 3656 1 15 . 1 1 45 45 VAL N N 45 121.946 121.946 121.699 0.247 25957 3657 1 15 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.195 0.313 25957 3658 1 15 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.258 -4.851 25957 3659 1 15 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.580 -1.982 25957 3660 1 15 . 1 1 45 45 VAL H H 45 8.583 8.583 8.068 0.515 25957 3661 1 15 . 1 1 46 46 ASP N N 46 126.557 126.557 128.361 -1.804 25957 3662 1 15 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.045 0.221 25957 3663 1 15 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.520 -6.740 25957 3664 1 15 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.749 -7.305 25957 3665 1 15 . 1 1 46 46 ASP H H 46 8.574 8.574 8.140 0.434 25957 3666 1 15 . 1 1 47 47 THR N N 47 114.542 114.542 112.012 2.530 25957 3667 1 15 . 1 1 47 47 THR HA H 47 4.168 4.168 4.500 -0.332 25957 3668 1 15 . 1 1 47 47 THR CA C 47 58.063 58.063 61.742 -3.679 25957 3669 1 15 . 1 1 47 47 THR CB C 47 63.665 63.665 69.832 -6.167 25957 3670 1 15 . 1 1 47 47 THR H H 47 9.049 9.049 8.361 0.688 25957 3671 1 15 . 1 1 48 48 TYR N N 48 123.857 123.857 119.721 4.136 25957 3672 1 15 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.552 -0.156 25957 3673 1 15 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.794 -4.854 25957 3674 1 15 . 1 1 48 48 TYR CB C 48 33.115 33.115 37.725 -4.610 25957 3675 1 15 . 1 1 48 48 TYR H H 48 8.829 8.829 8.000 0.829 25957 3676 1 15 . 1 1 49 49 ASN N N 49 113.728 113.728 116.593 -2.865 25957 3677 1 15 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.503 -0.008 25957 3678 1 15 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.331 -5.736 25957 3679 1 15 . 1 1 49 49 ASN CB C 49 33.140 33.140 37.916 -4.777 25957 3680 1 15 . 1 1 49 49 ASN H H 49 7.480 7.480 6.988 0.492 25957 3681 1 15 . 1 1 50 50 ASN N N 50 117.093 117.093 114.451 2.642 25957 3682 1 15 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.348 -0.132 25957 3683 1 15 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.715 -4.670 25957 3684 1 15 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.423 -5.781 25957 3685 1 15 . 1 1 50 50 ASN H H 50 7.916 7.916 7.735 0.181 25957 3686 1 15 . 1 1 51 51 ALA N N 51 121.083 121.083 120.221 0.862 25957 3687 1 15 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.361 0.047 25957 3688 1 15 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.911 -4.828 25957 3689 1 15 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.043 -5.050 25957 3690 1 15 . 1 1 51 51 ALA H H 51 7.796 7.796 7.286 0.510 25957 3691 1 15 . 1 1 52 52 VAL N N 52 125.472 125.472 120.754 4.718 25957 3692 1 15 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.071 0.846 25957 3693 1 15 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.352 -6.063 25957 3694 1 15 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.900 -3.153 25957 3695 1 15 . 1 1 52 52 VAL H H 52 8.247 8.247 7.833 0.414 25957 3696 1 15 . 1 1 53 53 ASP N N 53 125.852 125.852 122.082 3.770 25957 3697 1 15 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.704 0.230 25957 3698 1 15 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.345 -5.642 25957 3699 1 15 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.102 -0.884 25957 3700 1 15 . 1 1 53 53 ASP H H 53 8.613 8.613 8.252 0.361 25957 3701 1 15 . 1 1 54 54 CYS N N 54 122.530 122.530 122.062 0.468 25957 3702 1 15 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.627 0.099 25957 3703 1 15 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.913 -8.059 25957 3704 1 15 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.965 10.189 25957 3705 1 15 . 1 1 54 54 CYS H H 54 8.621 8.621 8.168 0.453 25957 3706 1 16 . 1 1 2 2 LYS N N 2 119.884 119.884 119.498 0.386 25957 3707 1 16 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.610 0.083 25957 3708 1 16 . 1 1 2 2 LYS H H 2 8.204 8.204 8.521 -0.317 25957 3709 1 16 . 1 1 3 3 TYR N N 3 122.994 122.994 119.883 3.111 25957 3710 1 16 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.655 0.185 25957 3711 1 16 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.714 -6.599 25957 3712 1 16 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.621 -4.628 25957 3713 1 16 . 1 1 3 3 TYR H H 3 8.958 8.958 8.004 0.954 25957 3714 1 16 . 1 1 4 4 THR N N 4 116.889 116.889 121.077 -4.188 25957 3715 1 16 . 1 1 4 4 THR HA H 4 5.047 5.047 4.435 0.612 25957 3716 1 16 . 1 1 4 4 THR CA C 4 56.171 56.171 63.057 -6.886 25957 3717 1 16 . 1 1 4 4 THR CB C 4 65.090 65.090 68.730 -3.640 25957 3718 1 16 . 1 1 4 4 THR H H 4 8.859 8.859 8.611 0.248 25957 3719 1 16 . 1 1 5 5 GLY N N 5 115.377 115.377 112.025 3.352 25957 3720 1 16 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.124 -4.672 25957 3721 1 16 . 1 1 5 5 GLY H H 5 9.107 9.107 7.856 1.251 25957 3722 1 16 . 1 1 6 6 LYS N N 6 121.194 121.194 117.328 3.866 25957 3723 1 16 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.042 0.351 25957 3724 1 16 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.626 -5.673 25957 3725 1 16 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.640 -3.299 25957 3726 1 16 . 1 1 6 6 LYS H H 6 8.391 8.391 7.945 0.446 25957 3727 1 16 . 1 1 7 7 CYS N N 7 122.568 122.568 123.648 -1.080 25957 3728 1 16 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.508 0.842 25957 3729 1 16 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.599 -8.851 25957 3730 1 16 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.827 10.136 25957 3731 1 16 . 1 1 7 7 CYS H H 7 9.802 9.802 8.693 1.109 25957 3732 1 16 . 1 1 8 8 THR N N 8 112.882 112.882 119.067 -6.185 25957 3733 1 16 . 1 1 8 8 THR HA H 8 4.715 4.715 4.760 -0.045 25957 3734 1 16 . 1 1 8 8 THR CA C 8 54.652 54.652 60.700 -6.048 25957 3735 1 16 . 1 1 8 8 THR CB C 8 65.734 65.734 70.273 -4.539 25957 3736 1 16 . 1 1 8 8 THR H H 8 8.627 8.627 8.221 0.406 25957 3737 1 16 . 1 1 9 9 LYS N N 9 127.151 127.151 129.244 -2.093 25957 3738 1 16 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.105 -0.529 25957 3739 1 16 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.775 -4.236 25957 3740 1 16 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.042 -3.606 25957 3741 1 16 . 1 1 9 9 LYS H H 9 8.919 8.919 8.852 0.067 25957 3742 1 16 . 1 1 10 10 SER N N 10 116.360 116.360 114.509 1.851 25957 3743 1 16 . 1 1 10 10 SER HA H 10 4.695 4.695 4.334 0.361 25957 3744 1 16 . 1 1 10 10 SER CB C 10 56.449 56.449 63.334 -6.885 25957 3745 1 16 . 1 1 10 10 SER H H 10 9.376 9.376 7.713 1.663 25957 3746 1 16 . 1 1 11 11 LYS N N 11 116.973 116.973 118.579 -1.606 25957 3747 1 16 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.465 -0.283 25957 3748 1 16 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.675 -5.014 25957 3749 1 16 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.371 -5.423 25957 3750 1 16 . 1 1 11 11 LYS H H 11 7.088 7.088 7.662 -0.574 25957 3751 1 16 . 1 1 12 12 ASN N N 12 120.352 120.352 116.768 3.584 25957 3752 1 16 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.410 0.185 25957 3753 1 16 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.536 -6.285 25957 3754 1 16 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.419 -5.544 25957 3755 1 16 . 1 1 12 12 ASN H H 12 7.592 7.592 8.440 -0.848 25957 3756 1 16 . 1 1 13 13 GLU N N 13 114.681 114.681 113.897 0.784 25957 3757 1 16 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.173 -0.287 25957 3758 1 16 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.193 -4.669 25957 3759 1 16 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.958 -4.091 25957 3760 1 16 . 1 1 13 13 GLU H H 13 7.234 7.234 7.626 -0.392 25957 3761 1 16 . 1 1 14 14 CYS N N 14 123.347 123.347 120.567 2.780 25957 3762 1 16 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.222 -0.575 25957 3763 1 16 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.141 -8.664 25957 3764 1 16 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.221 6.615 25957 3765 1 16 . 1 1 14 14 CYS H H 14 9.649 9.649 8.827 0.822 25957 3766 1 16 . 1 1 15 15 LYS N N 15 130.816 130.816 126.533 4.283 25957 3767 1 16 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.599 -0.651 25957 3768 1 16 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.441 -5.383 25957 3769 1 16 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.646 -6.633 25957 3770 1 16 . 1 1 15 15 LYS H H 15 8.650 8.650 8.683 -0.033 25957 3771 1 16 . 1 1 16 16 TYR N N 16 126.576 126.576 119.772 6.804 25957 3772 1 16 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.868 0.066 25957 3773 1 16 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.445 -6.949 25957 3774 1 16 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.713 -4.812 25957 3775 1 16 . 1 1 16 16 TYR H H 16 8.995 8.995 7.828 1.167 25957 3776 1 16 . 1 1 17 17 LYS N N 17 120.916 120.916 121.769 -0.853 25957 3777 1 16 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.224 0.179 25957 3778 1 16 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.347 -6.157 25957 3779 1 16 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.295 -5.812 25957 3780 1 16 . 1 1 17 17 LYS H H 17 8.399 8.399 8.734 -0.335 25957 3781 1 16 . 1 1 18 18 ASN N N 18 122.206 122.206 122.106 0.100 25957 3782 1 16 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.650 -0.631 25957 3783 1 16 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.881 -6.220 25957 3784 1 16 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.868 -7.244 25957 3785 1 16 . 1 1 18 18 ASN H H 18 7.735 7.735 8.227 -0.492 25957 3786 1 16 . 1 1 19 19 SER N N 19 113.607 113.607 115.079 -1.472 25957 3787 1 16 . 1 1 19 19 SER HA H 19 4.695 4.695 4.164 0.531 25957 3788 1 16 . 1 1 19 19 SER CB C 19 57.917 57.917 63.253 -5.336 25957 3789 1 16 . 1 1 19 19 SER H H 19 8.196 8.196 8.691 -0.495 25957 3790 1 16 . 1 1 20 20 ALA N N 20 123.347 123.347 121.018 2.329 25957 3791 1 16 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.232 0.231 25957 3792 1 16 . 1 1 20 20 ALA CA C 20 46.211 46.211 52.899 -6.688 25957 3793 1 16 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.592 -5.059 25957 3794 1 16 . 1 1 20 20 ALA H H 20 7.409 7.409 8.071 -0.662 25957 3795 1 16 . 1 1 21 21 GLY N N 21 107.557 107.557 106.108 1.449 25957 3796 1 16 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.041 -4.893 25957 3797 1 16 . 1 1 21 21 GLY H H 21 8.162 8.162 7.517 0.645 25957 3798 1 16 . 1 1 22 22 LYS N N 22 120.341 120.341 123.200 -2.859 25957 3799 1 16 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.256 0.071 25957 3800 1 16 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.839 -6.809 25957 3801 1 16 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.701 -5.223 25957 3802 1 16 . 1 1 22 22 LYS H H 22 7.621 7.621 7.818 -0.197 25957 3803 1 16 . 1 1 23 23 ASP N N 23 126.799 126.799 123.620 3.179 25957 3804 1 16 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.329 -0.010 25957 3805 1 16 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.379 -3.992 25957 3806 1 16 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.062 -5.638 25957 3807 1 16 . 1 1 23 23 ASP H H 23 8.636 8.636 8.360 0.276 25957 3808 1 16 . 1 1 24 24 THR N N 24 122.688 122.688 117.806 4.882 25957 3809 1 16 . 1 1 24 24 THR HA H 24 4.045 4.045 4.547 -0.502 25957 3810 1 16 . 1 1 24 24 THR CA C 24 56.539 56.539 60.815 -4.276 25957 3811 1 16 . 1 1 24 24 THR CB C 24 65.315 65.315 69.978 -4.663 25957 3812 1 16 . 1 1 24 24 THR H H 24 8.791 8.791 7.836 0.955 25957 3813 1 16 . 1 1 25 25 PHE N N 25 122.187 122.187 125.139 -2.952 25957 3814 1 16 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.858 -3.864 25957 3815 1 16 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.615 -5.024 25957 3816 1 16 . 1 1 25 25 PHE H H 25 8.316 8.316 7.885 0.431 25957 3817 1 16 . 1 1 26 26 ILE N N 26 123.106 123.106 123.281 -0.175 25957 3818 1 16 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.524 0.102 25957 3819 1 16 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.201 -4.815 25957 3820 1 16 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.574 -5.718 25957 3821 1 16 . 1 1 26 26 ILE H H 26 9.104 9.104 8.807 0.297 25957 3822 1 16 . 1 1 27 27 LYS N N 27 127.012 127.012 126.582 0.430 25957 3823 1 16 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.955 -0.738 25957 3824 1 16 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.117 -2.566 25957 3825 1 16 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.133 -6.190 25957 3826 1 16 . 1 1 27 27 LYS H H 27 8.317 8.317 8.305 0.012 25957 3827 1 16 . 1 1 28 28 CYS N N 28 119.357 119.357 122.508 -3.151 25957 3828 1 16 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.958 -0.395 25957 3829 1 16 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.718 -5.410 25957 3830 1 16 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.571 8.263 25957 3831 1 16 . 1 1 28 28 CYS H H 28 8.402 8.402 8.990 -0.588 25957 3832 1 16 . 1 1 30 30 LYS N N 30 116.694 116.694 116.530 0.164 25957 3833 1 16 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.458 -0.483 25957 3834 1 16 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.687 -4.798 25957 3835 1 16 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.608 -5.127 25957 3836 1 16 . 1 1 30 30 LYS H H 30 8.007 8.007 8.433 -0.426 25957 3837 1 16 . 1 1 31 31 PHE N N 31 117.093 117.093 120.055 -2.962 25957 3838 1 16 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.547 -0.045 25957 3839 1 16 . 1 1 31 31 PHE CA C 31 51.435 51.435 56.336 -4.901 25957 3840 1 16 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.170 -6.189 25957 3841 1 16 . 1 1 31 31 PHE H H 31 6.453 6.453 7.690 -1.237 25957 3842 1 16 . 1 1 32 32 ASP N N 32 121.556 121.556 118.985 2.571 25957 3843 1 16 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.273 -0.114 25957 3844 1 16 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.211 -5.930 25957 3845 1 16 . 1 1 32 32 ASP H H 32 8.788 8.788 7.641 1.147 25957 3846 1 16 . 1 1 33 33 ASN N N 33 113.280 113.280 115.772 -2.492 25957 3847 1 16 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.341 0.226 25957 3848 1 16 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.711 -5.964 25957 3849 1 16 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.088 -5.916 25957 3850 1 16 . 1 1 33 33 ASN H H 33 8.446 8.446 8.675 -0.229 25957 3851 1 16 . 1 1 34 34 LYS N N 34 117.362 117.362 116.674 0.688 25957 3852 1 16 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.426 0.420 25957 3853 1 16 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.667 -5.758 25957 3854 1 16 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.910 -3.764 25957 3855 1 16 . 1 1 34 34 LYS H H 34 7.652 7.652 7.528 0.124 25957 3856 1 16 . 1 1 35 35 LYS N N 35 116.833 116.833 118.308 -1.475 25957 3857 1 16 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.433 0.079 25957 3858 1 16 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.532 -5.794 25957 3859 1 16 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.864 -5.728 25957 3860 1 16 . 1 1 35 35 LYS H H 35 6.918 6.918 7.647 -0.729 25957 3861 1 16 . 1 1 36 36 CYS N N 36 117.631 117.631 121.776 -4.145 25957 3862 1 16 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.760 -0.055 25957 3863 1 16 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.230 7.851 25957 3864 1 16 . 1 1 36 36 CYS H H 36 8.542 8.542 8.506 0.036 25957 3865 1 16 . 1 1 37 37 THR N N 37 122.048 122.048 117.887 4.161 25957 3866 1 16 . 1 1 37 37 THR HA H 37 4.217 4.217 4.592 -0.375 25957 3867 1 16 . 1 1 37 37 THR CA C 37 57.923 57.923 60.207 -2.284 25957 3868 1 16 . 1 1 37 37 THR H H 37 10.132 10.132 8.014 2.118 25957 3869 1 16 . 1 1 38 38 LYS N N 38 122.048 122.048 120.945 1.103 25957 3870 1 16 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.097 0.059 25957 3871 1 16 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.611 -6.362 25957 3872 1 16 . 1 1 38 38 LYS CB C 38 29.872 29.872 32.901 -3.029 25957 3873 1 16 . 1 1 38 38 LYS H H 38 7.254 7.254 8.344 -1.090 25957 3874 1 16 . 1 1 39 39 ASP N N 39 124.813 124.813 125.714 -0.901 25957 3875 1 16 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.581 0.005 25957 3876 1 16 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.356 -7.338 25957 3877 1 16 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.638 -5.885 25957 3878 1 16 . 1 1 39 39 ASP H H 39 8.785 8.785 8.667 0.118 25957 3879 1 16 . 1 1 40 40 ASN N N 40 114.848 114.848 115.388 -0.540 25957 3880 1 16 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.544 -0.274 25957 3881 1 16 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.988 -3.618 25957 3882 1 16 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.368 -6.841 25957 3883 1 16 . 1 1 40 40 ASN H H 40 9.453 9.453 8.361 1.092 25957 3884 1 16 . 1 1 41 41 ASN N N 41 120.276 120.276 119.118 1.158 25957 3885 1 16 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.574 0.123 25957 3886 1 16 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.206 -5.505 25957 3887 1 16 . 1 1 41 41 ASN H H 41 7.732 7.732 8.101 -0.369 25957 3888 1 16 . 1 1 42 42 LYS N N 42 119.784 119.784 116.524 3.260 25957 3889 1 16 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.432 -0.045 25957 3890 1 16 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.452 -3.528 25957 3891 1 16 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.778 -4.819 25957 3892 1 16 . 1 1 42 42 LYS H H 42 8.513 8.513 8.115 0.398 25957 3893 1 16 . 1 1 43 43 CYS N N 43 114.096 114.096 120.869 -6.773 25957 3894 1 16 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.517 0.851 25957 3895 1 16 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.602 -11.190 25957 3896 1 16 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.437 17.132 25957 3897 1 16 . 1 1 43 43 CYS H H 43 7.547 7.547 8.036 -0.489 25957 3898 1 16 . 1 1 44 44 THR N N 44 113.240 113.240 122.370 -9.130 25957 3899 1 16 . 1 1 44 44 THR HA H 44 5.245 5.245 4.575 0.670 25957 3900 1 16 . 1 1 44 44 THR CA C 44 54.725 54.725 60.554 -5.830 25957 3901 1 16 . 1 1 44 44 THR CB C 44 66.847 66.847 71.936 -5.089 25957 3902 1 16 . 1 1 44 44 THR H H 44 9.020 9.020 8.058 0.962 25957 3903 1 16 . 1 1 45 45 VAL N N 45 121.946 121.946 121.073 0.873 25957 3904 1 16 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.238 0.270 25957 3905 1 16 . 1 1 45 45 VAL CA C 45 55.407 55.407 61.127 -5.720 25957 3906 1 16 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.584 -1.986 25957 3907 1 16 . 1 1 45 45 VAL H H 45 8.583 8.583 7.862 0.721 25957 3908 1 16 . 1 1 46 46 ASP N N 46 126.557 126.557 128.399 -1.842 25957 3909 1 16 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.887 0.379 25957 3910 1 16 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.248 -6.468 25957 3911 1 16 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.790 -7.346 25957 3912 1 16 . 1 1 46 46 ASP H H 46 8.574 8.574 8.358 0.216 25957 3913 1 16 . 1 1 47 47 THR N N 47 114.542 114.542 109.791 4.751 25957 3914 1 16 . 1 1 47 47 THR HA H 47 4.168 4.168 4.517 -0.349 25957 3915 1 16 . 1 1 47 47 THR CA C 47 58.063 58.063 61.699 -3.636 25957 3916 1 16 . 1 1 47 47 THR CB C 47 63.665 63.665 69.661 -5.996 25957 3917 1 16 . 1 1 47 47 THR H H 47 9.049 9.049 8.126 0.923 25957 3918 1 16 . 1 1 48 48 TYR N N 48 123.857 123.857 122.476 1.381 25957 3919 1 16 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.413 -0.017 25957 3920 1 16 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.906 -4.966 25957 3921 1 16 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.717 -5.602 25957 3922 1 16 . 1 1 48 48 TYR H H 48 8.829 8.829 7.984 0.845 25957 3923 1 16 . 1 1 49 49 ASN N N 49 113.728 113.728 115.838 -2.110 25957 3924 1 16 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.655 -0.160 25957 3925 1 16 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.810 -6.215 25957 3926 1 16 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.086 -4.946 25957 3927 1 16 . 1 1 49 49 ASN H H 49 7.480 7.480 8.252 -0.772 25957 3928 1 16 . 1 1 50 50 ASN N N 50 117.093 117.093 115.198 1.895 25957 3929 1 16 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.351 -0.135 25957 3930 1 16 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.092 -5.047 25957 3931 1 16 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.171 -5.529 25957 3932 1 16 . 1 1 50 50 ASN H H 50 7.916 7.916 8.032 -0.116 25957 3933 1 16 . 1 1 51 51 ALA N N 51 121.083 121.083 120.653 0.430 25957 3934 1 16 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.446 -0.038 25957 3935 1 16 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.322 -5.239 25957 3936 1 16 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.082 -5.089 25957 3937 1 16 . 1 1 51 51 ALA H H 51 7.796 7.796 7.958 -0.162 25957 3938 1 16 . 1 1 52 52 VAL N N 52 125.472 125.472 120.484 4.988 25957 3939 1 16 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.201 0.716 25957 3940 1 16 . 1 1 52 52 VAL CA C 52 55.289 55.289 60.957 -5.668 25957 3941 1 16 . 1 1 52 52 VAL CB C 52 29.747 29.747 33.967 -4.220 25957 3942 1 16 . 1 1 52 52 VAL H H 52 8.247 8.247 8.062 0.185 25957 3943 1 16 . 1 1 53 53 ASP N N 53 125.852 125.852 124.187 1.665 25957 3944 1 16 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.746 0.188 25957 3945 1 16 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.258 -5.555 25957 3946 1 16 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.026 -0.808 25957 3947 1 16 . 1 1 53 53 ASP H H 53 8.613 8.613 8.296 0.317 25957 3948 1 16 . 1 1 54 54 CYS N N 54 122.530 122.530 120.791 1.739 25957 3949 1 16 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.652 0.074 25957 3950 1 16 . 1 1 54 54 CYS CA C 54 50.854 50.854 59.013 -8.159 25957 3951 1 16 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.250 9.904 25957 3952 1 16 . 1 1 54 54 CYS H H 54 8.621 8.621 8.186 0.435 25957 3953 1 17 . 1 1 2 2 LYS N N 2 119.884 119.884 120.468 -0.584 25957 3954 1 17 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.379 0.314 25957 3955 1 17 . 1 1 2 2 LYS H H 2 8.204 8.204 8.486 -0.282 25957 3956 1 17 . 1 1 3 3 TYR N N 3 122.994 122.994 120.546 2.448 25957 3957 1 17 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.735 0.105 25957 3958 1 17 . 1 1 3 3 TYR CA C 3 51.114 51.114 56.590 -5.476 25957 3959 1 17 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.129 -4.136 25957 3960 1 17 . 1 1 3 3 TYR H H 3 8.958 8.958 8.184 0.774 25957 3961 1 17 . 1 1 4 4 THR N N 4 116.889 116.889 116.860 0.029 25957 3962 1 17 . 1 1 4 4 THR HA H 4 5.047 5.047 4.447 0.600 25957 3963 1 17 . 1 1 4 4 THR CA C 4 56.171 56.171 62.500 -6.329 25957 3964 1 17 . 1 1 4 4 THR CB C 4 65.090 65.090 68.907 -3.817 25957 3965 1 17 . 1 1 4 4 THR H H 4 8.859 8.859 8.725 0.134 25957 3966 1 17 . 1 1 5 5 GLY N N 5 115.377 115.377 110.761 4.616 25957 3967 1 17 . 1 1 5 5 GLY CA C 5 39.452 39.452 45.135 -5.683 25957 3968 1 17 . 1 1 5 5 GLY H H 5 9.107 9.107 7.901 1.206 25957 3969 1 17 . 1 1 6 6 LYS N N 6 121.194 121.194 117.795 3.399 25957 3970 1 17 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.257 0.136 25957 3971 1 17 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.468 -5.515 25957 3972 1 17 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.829 -3.488 25957 3973 1 17 . 1 1 6 6 LYS H H 6 8.391 8.391 8.035 0.356 25957 3974 1 17 . 1 1 7 7 CYS N N 7 122.568 122.568 122.765 -0.197 25957 3975 1 17 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.379 0.971 25957 3976 1 17 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.656 -8.908 25957 3977 1 17 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.745 10.218 25957 3978 1 17 . 1 1 7 7 CYS H H 7 9.802 9.802 8.818 0.984 25957 3979 1 17 . 1 1 8 8 THR N N 8 112.882 112.882 119.350 -6.468 25957 3980 1 17 . 1 1 8 8 THR HA H 8 4.715 4.715 4.616 0.099 25957 3981 1 17 . 1 1 8 8 THR CA C 8 54.652 54.652 60.340 -5.689 25957 3982 1 17 . 1 1 8 8 THR CB C 8 65.734 65.734 70.328 -4.594 25957 3983 1 17 . 1 1 8 8 THR H H 8 8.627 8.627 8.493 0.134 25957 3984 1 17 . 1 1 9 9 LYS N N 9 127.151 127.151 128.652 -1.501 25957 3985 1 17 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.078 -0.502 25957 3986 1 17 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.622 -4.083 25957 3987 1 17 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.228 -3.792 25957 3988 1 17 . 1 1 9 9 LYS H H 9 8.919 8.919 8.958 -0.039 25957 3989 1 17 . 1 1 10 10 SER N N 10 116.360 116.360 114.012 2.348 25957 3990 1 17 . 1 1 10 10 SER HA H 10 4.695 4.695 4.299 0.396 25957 3991 1 17 . 1 1 10 10 SER CB C 10 56.449 56.449 63.627 -7.178 25957 3992 1 17 . 1 1 10 10 SER H H 10 9.376 9.376 7.779 1.597 25957 3993 1 17 . 1 1 11 11 LYS N N 11 116.973 116.973 118.210 -1.237 25957 3994 1 17 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.441 -0.259 25957 3995 1 17 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.810 -5.151 25957 3996 1 17 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.191 -5.244 25957 3997 1 17 . 1 1 11 11 LYS H H 11 7.088 7.088 7.583 -0.495 25957 3998 1 17 . 1 1 12 12 ASN N N 12 120.352 120.352 116.735 3.617 25957 3999 1 17 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.346 0.249 25957 4000 1 17 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.602 -6.351 25957 4001 1 17 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.491 -5.616 25957 4002 1 17 . 1 1 12 12 ASN H H 12 7.592 7.592 8.212 -0.620 25957 4003 1 17 . 1 1 13 13 GLU N N 13 114.681 114.681 113.683 0.998 25957 4004 1 17 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.177 -0.291 25957 4005 1 17 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.071 -4.547 25957 4006 1 17 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.137 -4.270 25957 4007 1 17 . 1 1 13 13 GLU H H 13 7.234 7.234 7.637 -0.403 25957 4008 1 17 . 1 1 14 14 CYS N N 14 123.347 123.347 118.588 4.759 25957 4009 1 17 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.242 -0.595 25957 4010 1 17 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.270 -8.793 25957 4011 1 17 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.784 6.052 25957 4012 1 17 . 1 1 14 14 CYS H H 14 9.649 9.649 8.448 1.201 25957 4013 1 17 . 1 1 15 15 LYS N N 15 130.816 130.816 122.461 8.355 25957 4014 1 17 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.727 -0.779 25957 4015 1 17 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.913 -5.854 25957 4016 1 17 . 1 1 15 15 LYS CB C 15 29.013 29.013 36.011 -6.998 25957 4017 1 17 . 1 1 15 15 LYS H H 15 8.650 8.650 8.516 0.134 25957 4018 1 17 . 1 1 16 16 TYR N N 16 126.576 126.576 119.947 6.629 25957 4019 1 17 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.956 -0.022 25957 4020 1 17 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.234 -6.738 25957 4021 1 17 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.885 -5.984 25957 4022 1 17 . 1 1 16 16 TYR H H 16 8.995 8.995 8.031 0.964 25957 4023 1 17 . 1 1 17 17 LYS N N 17 120.916 120.916 122.876 -1.960 25957 4024 1 17 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.270 0.133 25957 4025 1 17 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.397 -6.207 25957 4026 1 17 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.053 -5.570 25957 4027 1 17 . 1 1 17 17 LYS H H 17 8.399 8.399 8.721 -0.322 25957 4028 1 17 . 1 1 18 18 ASN N N 18 122.206 122.206 123.763 -1.557 25957 4029 1 17 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.740 -0.721 25957 4030 1 17 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.974 -6.312 25957 4031 1 17 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.189 -6.565 25957 4032 1 17 . 1 1 18 18 ASN H H 18 7.735 7.735 8.301 -0.566 25957 4033 1 17 . 1 1 19 19 SER N N 19 113.607 113.607 115.530 -1.923 25957 4034 1 17 . 1 1 19 19 SER HA H 19 4.695 4.695 4.117 0.578 25957 4035 1 17 . 1 1 19 19 SER CB C 19 57.917 57.917 63.101 -5.184 25957 4036 1 17 . 1 1 19 19 SER H H 19 8.196 8.196 8.708 -0.512 25957 4037 1 17 . 1 1 20 20 ALA N N 20 123.347 123.347 120.560 2.787 25957 4038 1 17 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.219 0.244 25957 4039 1 17 . 1 1 20 20 ALA CA C 20 46.211 46.211 52.683 -6.472 25957 4040 1 17 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.399 -4.866 25957 4041 1 17 . 1 1 20 20 ALA H H 20 7.409 7.409 8.044 -0.635 25957 4042 1 17 . 1 1 21 21 GLY N N 21 107.557 107.557 106.616 0.941 25957 4043 1 17 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.052 -4.904 25957 4044 1 17 . 1 1 21 21 GLY H H 21 8.162 8.162 7.682 0.480 25957 4045 1 17 . 1 1 22 22 LYS N N 22 120.341 120.341 123.342 -3.001 25957 4046 1 17 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.453 -0.126 25957 4047 1 17 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.261 -6.231 25957 4048 1 17 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.690 -5.212 25957 4049 1 17 . 1 1 22 22 LYS H H 22 7.621 7.621 7.891 -0.270 25957 4050 1 17 . 1 1 23 23 ASP N N 23 126.799 126.799 125.153 1.646 25957 4051 1 17 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.307 0.012 25957 4052 1 17 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.326 -3.939 25957 4053 1 17 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.077 -5.653 25957 4054 1 17 . 1 1 23 23 ASP H H 23 8.636 8.636 8.491 0.145 25957 4055 1 17 . 1 1 24 24 THR N N 24 122.688 122.688 116.965 5.723 25957 4056 1 17 . 1 1 24 24 THR HA H 24 4.045 4.045 4.570 -0.525 25957 4057 1 17 . 1 1 24 24 THR CA C 24 56.539 56.539 60.804 -4.265 25957 4058 1 17 . 1 1 24 24 THR CB C 24 65.315 65.315 70.242 -4.927 25957 4059 1 17 . 1 1 24 24 THR H H 24 8.791 8.791 7.709 1.082 25957 4060 1 17 . 1 1 25 25 PHE N N 25 122.187 122.187 127.187 -5.000 25957 4061 1 17 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.869 -3.875 25957 4062 1 17 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.164 -4.573 25957 4063 1 17 . 1 1 25 25 PHE H H 25 8.316 8.316 7.954 0.362 25957 4064 1 17 . 1 1 26 26 ILE N N 26 123.106 123.106 124.075 -0.969 25957 4065 1 17 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.478 0.148 25957 4066 1 17 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.337 -4.951 25957 4067 1 17 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.410 -5.554 25957 4068 1 17 . 1 1 26 26 ILE H H 26 9.104 9.104 8.396 0.708 25957 4069 1 17 . 1 1 27 27 LYS N N 27 127.012 127.012 126.753 0.259 25957 4070 1 17 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.709 -0.492 25957 4071 1 17 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.166 -2.615 25957 4072 1 17 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.671 -5.728 25957 4073 1 17 . 1 1 27 27 LYS H H 27 8.317 8.317 8.294 0.023 25957 4074 1 17 . 1 1 28 28 CYS N N 28 119.357 119.357 122.922 -3.565 25957 4075 1 17 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.953 -0.390 25957 4076 1 17 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.877 -5.570 25957 4077 1 17 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.864 7.970 25957 4078 1 17 . 1 1 28 28 CYS H H 28 8.402 8.402 8.793 -0.391 25957 4079 1 17 . 1 1 30 30 LYS N N 30 116.694 116.694 116.518 0.176 25957 4080 1 17 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.501 -0.526 25957 4081 1 17 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.298 -4.409 25957 4082 1 17 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.421 -4.940 25957 4083 1 17 . 1 1 30 30 LYS H H 30 8.007 8.007 8.449 -0.442 25957 4084 1 17 . 1 1 31 31 PHE N N 31 117.093 117.093 120.020 -2.927 25957 4085 1 17 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.587 -0.085 25957 4086 1 17 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.229 -5.794 25957 4087 1 17 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.120 -6.138 25957 4088 1 17 . 1 1 31 31 PHE H H 31 6.453 6.453 7.645 -1.192 25957 4089 1 17 . 1 1 32 32 ASP N N 32 121.556 121.556 120.506 1.050 25957 4090 1 17 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.339 -0.180 25957 4091 1 17 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.252 -5.971 25957 4092 1 17 . 1 1 32 32 ASP H H 32 8.788 8.788 7.760 1.028 25957 4093 1 17 . 1 1 33 33 ASN N N 33 113.280 113.280 116.190 -2.910 25957 4094 1 17 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.371 0.196 25957 4095 1 17 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.733 -5.986 25957 4096 1 17 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.012 -5.840 25957 4097 1 17 . 1 1 33 33 ASN H H 33 8.446 8.446 8.714 -0.268 25957 4098 1 17 . 1 1 34 34 LYS N N 34 117.362 117.362 116.363 0.999 25957 4099 1 17 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.486 0.360 25957 4100 1 17 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.355 -5.446 25957 4101 1 17 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.288 -3.142 25957 4102 1 17 . 1 1 34 34 LYS H H 34 7.652 7.652 7.680 -0.028 25957 4103 1 17 . 1 1 35 35 LYS N N 35 116.833 116.833 118.691 -1.858 25957 4104 1 17 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.432 0.080 25957 4105 1 17 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.857 -6.119 25957 4106 1 17 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.579 -5.443 25957 4107 1 17 . 1 1 35 35 LYS H H 35 6.918 6.918 7.678 -0.760 25957 4108 1 17 . 1 1 36 36 CYS N N 36 117.631 117.631 121.398 -3.767 25957 4109 1 17 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.758 -0.053 25957 4110 1 17 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.855 7.226 25957 4111 1 17 . 1 1 36 36 CYS H H 36 8.542 8.542 8.542 -0.000 25957 4112 1 17 . 1 1 37 37 THR N N 37 122.048 122.048 120.494 1.554 25957 4113 1 17 . 1 1 37 37 THR HA H 37 4.217 4.217 4.690 -0.473 25957 4114 1 17 . 1 1 37 37 THR CA C 37 57.923 57.923 60.871 -2.949 25957 4115 1 17 . 1 1 37 37 THR H H 37 10.132 10.132 8.137 1.995 25957 4116 1 17 . 1 1 38 38 LYS N N 38 122.048 122.048 121.641 0.407 25957 4117 1 17 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.074 0.082 25957 4118 1 17 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.252 -6.003 25957 4119 1 17 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.334 -3.462 25957 4120 1 17 . 1 1 38 38 LYS H H 38 7.254 7.254 8.404 -1.150 25957 4121 1 17 . 1 1 39 39 ASP N N 39 124.813 124.813 120.816 3.997 25957 4122 1 17 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.481 0.105 25957 4123 1 17 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.671 -7.653 25957 4124 1 17 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.648 -5.895 25957 4125 1 17 . 1 1 39 39 ASP H H 39 8.785 8.785 8.781 0.004 25957 4126 1 17 . 1 1 40 40 ASN N N 40 114.848 114.848 116.438 -1.590 25957 4127 1 17 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.599 -0.329 25957 4128 1 17 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.380 -3.010 25957 4129 1 17 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.277 -6.750 25957 4130 1 17 . 1 1 40 40 ASN H H 40 9.453 9.453 8.393 1.060 25957 4131 1 17 . 1 1 41 41 ASN N N 41 120.276 120.276 118.549 1.727 25957 4132 1 17 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.497 0.200 25957 4133 1 17 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.917 -5.216 25957 4134 1 17 . 1 1 41 41 ASN H H 41 7.732 7.732 8.133 -0.401 25957 4135 1 17 . 1 1 42 42 LYS N N 42 119.784 119.784 116.251 3.533 25957 4136 1 17 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.426 -0.039 25957 4137 1 17 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.529 -3.604 25957 4138 1 17 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.874 -4.915 25957 4139 1 17 . 1 1 42 42 LYS H H 42 8.513 8.513 8.227 0.286 25957 4140 1 17 . 1 1 43 43 CYS N N 43 114.096 114.096 121.043 -6.947 25957 4141 1 17 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.504 0.864 25957 4142 1 17 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.698 -11.285 25957 4143 1 17 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.376 17.193 25957 4144 1 17 . 1 1 43 43 CYS H H 43 7.547 7.547 8.247 -0.700 25957 4145 1 17 . 1 1 44 44 THR N N 44 113.240 113.240 120.238 -6.998 25957 4146 1 17 . 1 1 44 44 THR HA H 44 5.245 5.245 4.515 0.730 25957 4147 1 17 . 1 1 44 44 THR CA C 44 54.725 54.725 60.026 -5.301 25957 4148 1 17 . 1 1 44 44 THR CB C 44 66.847 66.847 71.547 -4.700 25957 4149 1 17 . 1 1 44 44 THR H H 44 9.020 9.020 8.037 0.983 25957 4150 1 17 . 1 1 45 45 VAL N N 45 121.946 121.946 121.873 0.073 25957 4151 1 17 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.487 0.021 25957 4152 1 17 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.641 -5.234 25957 4153 1 17 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.783 -2.185 25957 4154 1 17 . 1 1 45 45 VAL H H 45 8.583 8.583 8.428 0.155 25957 4155 1 17 . 1 1 46 46 ASP N N 46 126.557 126.557 129.570 -3.013 25957 4156 1 17 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.024 0.242 25957 4157 1 17 . 1 1 46 46 ASP CA C 46 46.780 46.780 54.154 -7.375 25957 4158 1 17 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.485 -7.041 25957 4159 1 17 . 1 1 46 46 ASP H H 46 8.574 8.574 8.196 0.378 25957 4160 1 17 . 1 1 47 47 THR N N 47 114.542 114.542 115.447 -0.905 25957 4161 1 17 . 1 1 47 47 THR HA H 47 4.168 4.168 4.400 -0.232 25957 4162 1 17 . 1 1 47 47 THR CA C 47 58.063 58.063 61.763 -3.700 25957 4163 1 17 . 1 1 47 47 THR CB C 47 63.665 63.665 69.178 -5.513 25957 4164 1 17 . 1 1 47 47 THR H H 47 9.049 9.049 8.365 0.684 25957 4165 1 17 . 1 1 48 48 TYR N N 48 123.857 123.857 121.287 2.570 25957 4166 1 17 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.457 -0.061 25957 4167 1 17 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.928 -4.988 25957 4168 1 17 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.340 -5.225 25957 4169 1 17 . 1 1 48 48 TYR H H 48 8.829 8.829 8.111 0.718 25957 4170 1 17 . 1 1 49 49 ASN N N 49 113.728 113.728 115.952 -2.224 25957 4171 1 17 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.717 -0.222 25957 4172 1 17 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.754 -6.159 25957 4173 1 17 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.498 -5.358 25957 4174 1 17 . 1 1 49 49 ASN H H 49 7.480 7.480 8.218 -0.738 25957 4175 1 17 . 1 1 50 50 ASN N N 50 117.093 117.093 115.634 1.459 25957 4176 1 17 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.381 -0.165 25957 4177 1 17 . 1 1 50 50 ASN CA C 50 49.045 49.045 54.290 -5.245 25957 4178 1 17 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.709 -6.067 25957 4179 1 17 . 1 1 50 50 ASN H H 50 7.916 7.916 7.560 0.356 25957 4180 1 17 . 1 1 51 51 ALA N N 51 121.083 121.083 120.106 0.977 25957 4181 1 17 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.549 -0.141 25957 4182 1 17 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.416 -4.333 25957 4183 1 17 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.398 -5.405 25957 4184 1 17 . 1 1 51 51 ALA H H 51 7.796 7.796 7.433 0.363 25957 4185 1 17 . 1 1 52 52 VAL N N 52 125.472 125.472 120.719 4.753 25957 4186 1 17 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.081 0.836 25957 4187 1 17 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.519 -6.230 25957 4188 1 17 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.647 -2.900 25957 4189 1 17 . 1 1 52 52 VAL H H 52 8.247 8.247 7.961 0.286 25957 4190 1 17 . 1 1 53 53 ASP N N 53 125.852 125.852 124.139 1.713 25957 4191 1 17 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.845 0.089 25957 4192 1 17 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.634 -5.931 25957 4193 1 17 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.301 -1.083 25957 4194 1 17 . 1 1 53 53 ASP H H 53 8.613 8.613 8.312 0.301 25957 4195 1 17 . 1 1 54 54 CYS N N 54 122.530 122.530 121.317 1.213 25957 4196 1 17 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.616 0.110 25957 4197 1 17 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.868 -8.014 25957 4198 1 17 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.830 10.324 25957 4199 1 17 . 1 1 54 54 CYS H H 54 8.621 8.621 8.158 0.463 25957 4200 1 18 . 1 1 2 2 LYS N N 2 119.884 119.884 120.664 -0.780 25957 4201 1 18 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.553 0.140 25957 4202 1 18 . 1 1 2 2 LYS H H 2 8.204 8.204 8.649 -0.445 25957 4203 1 18 . 1 1 3 3 TYR N N 3 122.994 122.994 120.007 2.987 25957 4204 1 18 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.666 0.174 25957 4205 1 18 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.095 -5.981 25957 4206 1 18 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.634 -4.641 25957 4207 1 18 . 1 1 3 3 TYR H H 3 8.958 8.958 7.939 1.019 25957 4208 1 18 . 1 1 4 4 THR N N 4 116.889 116.889 119.458 -2.569 25957 4209 1 18 . 1 1 4 4 THR HA H 4 5.047 5.047 4.448 0.599 25957 4210 1 18 . 1 1 4 4 THR CA C 4 56.171 56.171 62.559 -6.388 25957 4211 1 18 . 1 1 4 4 THR CB C 4 65.090 65.090 69.110 -4.020 25957 4212 1 18 . 1 1 4 4 THR H H 4 8.859 8.859 8.564 0.295 25957 4213 1 18 . 1 1 5 5 GLY N N 5 115.377 115.377 112.128 3.249 25957 4214 1 18 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.497 -5.045 25957 4215 1 18 . 1 1 5 5 GLY H H 5 9.107 9.107 7.993 1.114 25957 4216 1 18 . 1 1 6 6 LYS N N 6 121.194 121.194 118.727 2.467 25957 4217 1 18 . 1 1 6 6 LYS HA H 6 5.393 5.393 4.978 0.415 25957 4218 1 18 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.428 -5.475 25957 4219 1 18 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.001 -2.660 25957 4220 1 18 . 1 1 6 6 LYS H H 6 8.391 8.391 8.033 0.358 25957 4221 1 18 . 1 1 7 7 CYS N N 7 122.568 122.568 122.789 -0.221 25957 4222 1 18 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.504 0.846 25957 4223 1 18 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.764 -9.016 25957 4224 1 18 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.191 9.772 25957 4225 1 18 . 1 1 7 7 CYS H H 7 9.802 9.802 8.699 1.103 25957 4226 1 18 . 1 1 8 8 THR N N 8 112.882 112.882 119.753 -6.871 25957 4227 1 18 . 1 1 8 8 THR HA H 8 4.715 4.715 4.584 0.131 25957 4228 1 18 . 1 1 8 8 THR CA C 8 54.652 54.652 60.490 -5.838 25957 4229 1 18 . 1 1 8 8 THR CB C 8 65.734 65.734 70.362 -4.628 25957 4230 1 18 . 1 1 8 8 THR H H 8 8.627 8.627 8.430 0.197 25957 4231 1 18 . 1 1 9 9 LYS N N 9 127.151 127.151 129.794 -2.643 25957 4232 1 18 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.109 -0.533 25957 4233 1 18 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.513 -3.974 25957 4234 1 18 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.128 -3.692 25957 4235 1 18 . 1 1 9 9 LYS H H 9 8.919 8.919 8.987 -0.068 25957 4236 1 18 . 1 1 10 10 SER N N 10 116.360 116.360 114.497 1.863 25957 4237 1 18 . 1 1 10 10 SER HA H 10 4.695 4.695 4.258 0.437 25957 4238 1 18 . 1 1 10 10 SER CB C 10 56.449 56.449 63.457 -7.008 25957 4239 1 18 . 1 1 10 10 SER H H 10 9.376 9.376 7.792 1.584 25957 4240 1 18 . 1 1 11 11 LYS N N 11 116.973 116.973 118.561 -1.588 25957 4241 1 18 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.445 -0.263 25957 4242 1 18 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.311 -4.651 25957 4243 1 18 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.509 -5.561 25957 4244 1 18 . 1 1 11 11 LYS H H 11 7.088 7.088 7.731 -0.643 25957 4245 1 18 . 1 1 12 12 ASN N N 12 120.352 120.352 116.984 3.368 25957 4246 1 18 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.364 0.231 25957 4247 1 18 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.531 -6.280 25957 4248 1 18 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.465 -5.590 25957 4249 1 18 . 1 1 12 12 ASN H H 12 7.592 7.592 8.524 -0.932 25957 4250 1 18 . 1 1 13 13 GLU N N 13 114.681 114.681 113.918 0.763 25957 4251 1 18 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.212 -0.326 25957 4252 1 18 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.299 -4.775 25957 4253 1 18 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.033 -4.166 25957 4254 1 18 . 1 1 13 13 GLU H H 13 7.234 7.234 7.634 -0.400 25957 4255 1 18 . 1 1 14 14 CYS N N 14 123.347 123.347 119.595 3.752 25957 4256 1 18 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.249 -0.602 25957 4257 1 18 . 1 1 14 14 CYS CA C 14 48.477 48.477 56.984 -8.508 25957 4258 1 18 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.885 5.951 25957 4259 1 18 . 1 1 14 14 CYS H H 14 9.649 9.649 8.717 0.932 25957 4260 1 18 . 1 1 15 15 LYS N N 15 130.816 130.816 123.689 7.127 25957 4261 1 18 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.480 -0.532 25957 4262 1 18 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.905 -5.847 25957 4263 1 18 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.504 -6.491 25957 4264 1 18 . 1 1 15 15 LYS H H 15 8.650 8.650 8.448 0.202 25957 4265 1 18 . 1 1 16 16 TYR N N 16 126.576 126.576 119.950 6.626 25957 4266 1 18 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.877 0.057 25957 4267 1 18 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.518 -7.022 25957 4268 1 18 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.891 -4.990 25957 4269 1 18 . 1 1 16 16 TYR H H 16 8.995 8.995 7.754 1.241 25957 4270 1 18 . 1 1 17 17 LYS N N 17 120.916 120.916 122.654 -1.738 25957 4271 1 18 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.307 0.096 25957 4272 1 18 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.704 -6.514 25957 4273 1 18 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.470 -5.987 25957 4274 1 18 . 1 1 17 17 LYS H H 17 8.399 8.399 8.878 -0.479 25957 4275 1 18 . 1 1 18 18 ASN N N 18 122.206 122.206 122.804 -0.598 25957 4276 1 18 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.722 -0.703 25957 4277 1 18 . 1 1 18 18 ASN CA C 18 45.661 45.661 52.047 -6.386 25957 4278 1 18 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.673 -7.049 25957 4279 1 18 . 1 1 18 18 ASN H H 18 7.735 7.735 8.304 -0.569 25957 4280 1 18 . 1 1 19 19 SER N N 19 113.607 113.607 114.965 -1.358 25957 4281 1 18 . 1 1 19 19 SER HA H 19 4.695 4.695 4.133 0.562 25957 4282 1 18 . 1 1 19 19 SER CB C 19 57.917 57.917 63.231 -5.314 25957 4283 1 18 . 1 1 19 19 SER H H 19 8.196 8.196 8.635 -0.439 25957 4284 1 18 . 1 1 20 20 ALA N N 20 123.347 123.347 121.134 2.213 25957 4285 1 18 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.158 0.305 25957 4286 1 18 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.060 -6.849 25957 4287 1 18 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.706 -5.173 25957 4288 1 18 . 1 1 20 20 ALA H H 20 7.409 7.409 8.047 -0.638 25957 4289 1 18 . 1 1 21 21 GLY N N 21 107.557 107.557 105.109 2.448 25957 4290 1 18 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.939 -4.791 25957 4291 1 18 . 1 1 21 21 GLY H H 21 8.162 8.162 7.638 0.524 25957 4292 1 18 . 1 1 22 22 LYS N N 22 120.341 120.341 122.567 -2.226 25957 4293 1 18 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.331 -0.004 25957 4294 1 18 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.752 -6.722 25957 4295 1 18 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.710 -5.232 25957 4296 1 18 . 1 1 22 22 LYS H H 22 7.621 7.621 7.821 -0.200 25957 4297 1 18 . 1 1 23 23 ASP N N 23 126.799 126.799 125.011 1.788 25957 4298 1 18 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.392 -0.073 25957 4299 1 18 . 1 1 23 23 ASP CA C 23 50.387 50.387 55.166 -4.779 25957 4300 1 18 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.181 -5.757 25957 4301 1 18 . 1 1 23 23 ASP H H 23 8.636 8.636 8.404 0.232 25957 4302 1 18 . 1 1 24 24 THR N N 24 122.688 122.688 117.531 5.157 25957 4303 1 18 . 1 1 24 24 THR HA H 24 4.045 4.045 4.674 -0.629 25957 4304 1 18 . 1 1 24 24 THR CA C 24 56.539 56.539 60.990 -4.451 25957 4305 1 18 . 1 1 24 24 THR CB C 24 65.315 65.315 70.247 -4.932 25957 4306 1 18 . 1 1 24 24 THR H H 24 8.791 8.791 7.942 0.849 25957 4307 1 18 . 1 1 25 25 PHE N N 25 122.187 122.187 126.181 -3.994 25957 4308 1 18 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.985 -3.991 25957 4309 1 18 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.852 -5.261 25957 4310 1 18 . 1 1 25 25 PHE H H 25 8.316 8.316 8.186 0.130 25957 4311 1 18 . 1 1 26 26 ILE N N 26 123.106 123.106 124.336 -1.230 25957 4312 1 18 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.403 0.223 25957 4313 1 18 . 1 1 26 26 ILE CA C 26 54.386 54.386 59.543 -5.157 25957 4314 1 18 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.524 -5.668 25957 4315 1 18 . 1 1 26 26 ILE H H 26 9.104 9.104 8.760 0.344 25957 4316 1 18 . 1 1 27 27 LYS N N 27 127.012 127.012 127.123 -0.111 25957 4317 1 18 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.859 -0.642 25957 4318 1 18 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.238 -2.687 25957 4319 1 18 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.879 -5.936 25957 4320 1 18 . 1 1 27 27 LYS H H 27 8.317 8.317 8.170 0.147 25957 4321 1 18 . 1 1 28 28 CYS N N 28 119.357 119.357 123.394 -4.037 25957 4322 1 18 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.955 -0.392 25957 4323 1 18 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.941 -5.634 25957 4324 1 18 . 1 1 28 28 CYS CB C 28 35.834 35.834 28.104 7.730 25957 4325 1 18 . 1 1 28 28 CYS H H 28 8.402 8.402 8.885 -0.483 25957 4326 1 18 . 1 1 30 30 LYS N N 30 116.694 116.694 116.644 0.050 25957 4327 1 18 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.457 -0.482 25957 4328 1 18 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.634 -4.745 25957 4329 1 18 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.657 -5.176 25957 4330 1 18 . 1 1 30 30 LYS H H 30 8.007 8.007 8.434 -0.427 25957 4331 1 18 . 1 1 31 31 PHE N N 31 117.093 117.093 119.932 -2.839 25957 4332 1 18 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.616 -0.114 25957 4333 1 18 . 1 1 31 31 PHE CA C 31 51.435 51.435 56.969 -5.534 25957 4334 1 18 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.793 -5.812 25957 4335 1 18 . 1 1 31 31 PHE H H 31 6.453 6.453 7.661 -1.208 25957 4336 1 18 . 1 1 32 32 ASP N N 32 121.556 121.556 121.018 0.538 25957 4337 1 18 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.360 -0.201 25957 4338 1 18 . 1 1 32 32 ASP CB C 32 35.281 35.281 40.961 -5.680 25957 4339 1 18 . 1 1 32 32 ASP H H 32 8.788 8.788 7.723 1.065 25957 4340 1 18 . 1 1 33 33 ASN N N 33 113.280 113.280 116.388 -3.108 25957 4341 1 18 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.246 0.321 25957 4342 1 18 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.697 -5.950 25957 4343 1 18 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.002 -5.830 25957 4344 1 18 . 1 1 33 33 ASN H H 33 8.446 8.446 8.700 -0.254 25957 4345 1 18 . 1 1 34 34 LYS N N 34 117.362 117.362 116.681 0.681 25957 4346 1 18 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.425 0.421 25957 4347 1 18 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.683 -5.774 25957 4348 1 18 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.895 -3.749 25957 4349 1 18 . 1 1 34 34 LYS H H 34 7.652 7.652 7.550 0.102 25957 4350 1 18 . 1 1 35 35 LYS N N 35 116.833 116.833 118.375 -1.542 25957 4351 1 18 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.418 0.094 25957 4352 1 18 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.690 -5.952 25957 4353 1 18 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.713 -5.577 25957 4354 1 18 . 1 1 35 35 LYS H H 35 6.918 6.918 7.611 -0.693 25957 4355 1 18 . 1 1 36 36 CYS N N 36 117.631 117.631 122.315 -4.684 25957 4356 1 18 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.660 0.045 25957 4357 1 18 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.904 7.178 25957 4358 1 18 . 1 1 36 36 CYS H H 36 8.542 8.542 8.715 -0.173 25957 4359 1 18 . 1 1 37 37 THR N N 37 122.048 122.048 120.053 1.995 25957 4360 1 18 . 1 1 37 37 THR HA H 37 4.217 4.217 4.706 -0.489 25957 4361 1 18 . 1 1 37 37 THR CA C 37 57.923 57.923 60.607 -2.684 25957 4362 1 18 . 1 1 37 37 THR H H 37 10.132 10.132 8.167 1.965 25957 4363 1 18 . 1 1 38 38 LYS N N 38 122.048 122.048 121.641 0.407 25957 4364 1 18 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.013 0.143 25957 4365 1 18 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.515 -6.266 25957 4366 1 18 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.254 -3.382 25957 4367 1 18 . 1 1 38 38 LYS H H 38 7.254 7.254 8.446 -1.192 25957 4368 1 18 . 1 1 39 39 ASP N N 39 124.813 124.813 121.860 2.953 25957 4369 1 18 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.533 0.053 25957 4370 1 18 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.780 -7.762 25957 4371 1 18 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.791 -6.038 25957 4372 1 18 . 1 1 39 39 ASP H H 39 8.785 8.785 8.724 0.061 25957 4373 1 18 . 1 1 40 40 ASN N N 40 114.848 114.848 117.286 -2.438 25957 4374 1 18 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.611 -0.341 25957 4375 1 18 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.934 -3.563 25957 4376 1 18 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.444 -6.917 25957 4377 1 18 . 1 1 40 40 ASN H H 40 9.453 9.453 8.180 1.273 25957 4378 1 18 . 1 1 41 41 ASN N N 41 120.276 120.276 119.187 1.089 25957 4379 1 18 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.523 0.174 25957 4380 1 18 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.053 -5.352 25957 4381 1 18 . 1 1 41 41 ASN H H 41 7.732 7.732 7.928 -0.196 25957 4382 1 18 . 1 1 42 42 LYS N N 42 119.784 119.784 115.382 4.402 25957 4383 1 18 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.472 -0.085 25957 4384 1 18 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.604 -3.680 25957 4385 1 18 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.347 -5.388 25957 4386 1 18 . 1 1 42 42 LYS H H 42 8.513 8.513 8.608 -0.095 25957 4387 1 18 . 1 1 43 43 CYS N N 43 114.096 114.096 120.253 -6.157 25957 4388 1 18 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.512 0.856 25957 4389 1 18 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.808 -11.395 25957 4390 1 18 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.614 16.955 25957 4391 1 18 . 1 1 43 43 CYS H H 43 7.547 7.547 8.267 -0.720 25957 4392 1 18 . 1 1 44 44 THR N N 44 113.240 113.240 120.849 -7.609 25957 4393 1 18 . 1 1 44 44 THR HA H 44 5.245 5.245 4.521 0.724 25957 4394 1 18 . 1 1 44 44 THR CA C 44 54.725 54.725 60.173 -5.448 25957 4395 1 18 . 1 1 44 44 THR CB C 44 66.847 66.847 71.540 -4.693 25957 4396 1 18 . 1 1 44 44 THR H H 44 9.020 9.020 7.993 1.027 25957 4397 1 18 . 1 1 45 45 VAL N N 45 121.946 121.946 121.379 0.567 25957 4398 1 18 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.514 -0.006 25957 4399 1 18 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.937 -5.530 25957 4400 1 18 . 1 1 45 45 VAL CB C 45 30.598 30.598 33.097 -2.499 25957 4401 1 18 . 1 1 45 45 VAL H H 45 8.583 8.583 8.195 0.388 25957 4402 1 18 . 1 1 46 46 ASP N N 46 126.557 126.557 128.643 -2.086 25957 4403 1 18 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.145 0.121 25957 4404 1 18 . 1 1 46 46 ASP CA C 46 46.780 46.780 54.125 -7.345 25957 4405 1 18 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.499 -7.055 25957 4406 1 18 . 1 1 46 46 ASP H H 46 8.574 8.574 8.540 0.034 25957 4407 1 18 . 1 1 47 47 THR N N 47 114.542 114.542 114.080 0.462 25957 4408 1 18 . 1 1 47 47 THR HA H 47 4.168 4.168 4.589 -0.421 25957 4409 1 18 . 1 1 47 47 THR CA C 47 58.063 58.063 61.576 -3.513 25957 4410 1 18 . 1 1 47 47 THR CB C 47 63.665 63.665 69.747 -6.082 25957 4411 1 18 . 1 1 47 47 THR H H 47 9.049 9.049 8.328 0.721 25957 4412 1 18 . 1 1 48 48 TYR N N 48 123.857 123.857 122.589 1.268 25957 4413 1 18 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.417 -0.021 25957 4414 1 18 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.296 -5.356 25957 4415 1 18 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.545 -5.430 25957 4416 1 18 . 1 1 48 48 TYR H H 48 8.829 8.829 8.113 0.716 25957 4417 1 18 . 1 1 49 49 ASN N N 49 113.728 113.728 116.204 -2.476 25957 4418 1 18 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.706 -0.211 25957 4419 1 18 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.137 -6.542 25957 4420 1 18 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.378 -5.238 25957 4421 1 18 . 1 1 49 49 ASN H H 49 7.480 7.480 8.336 -0.856 25957 4422 1 18 . 1 1 50 50 ASN N N 50 117.093 117.093 114.343 2.750 25957 4423 1 18 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.409 -0.193 25957 4424 1 18 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.904 -4.859 25957 4425 1 18 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.448 -5.806 25957 4426 1 18 . 1 1 50 50 ASN H H 50 7.916 7.916 7.947 -0.031 25957 4427 1 18 . 1 1 51 51 ALA N N 51 121.083 121.083 120.344 0.739 25957 4428 1 18 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.426 -0.018 25957 4429 1 18 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.930 -4.847 25957 4430 1 18 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.942 -4.949 25957 4431 1 18 . 1 1 51 51 ALA H H 51 7.796 7.796 7.568 0.228 25957 4432 1 18 . 1 1 52 52 VAL N N 52 125.472 125.472 120.902 4.570 25957 4433 1 18 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.203 0.714 25957 4434 1 18 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.669 -6.380 25957 4435 1 18 . 1 1 52 52 VAL CB C 52 29.747 29.747 33.946 -4.199 25957 4436 1 18 . 1 1 52 52 VAL H H 52 8.247 8.247 8.083 0.164 25957 4437 1 18 . 1 1 53 53 ASP N N 53 125.852 125.852 126.080 -0.228 25957 4438 1 18 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.870 0.064 25957 4439 1 18 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.554 -5.851 25957 4440 1 18 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.145 -0.927 25957 4441 1 18 . 1 1 53 53 ASP H H 53 8.613 8.613 8.353 0.260 25957 4442 1 18 . 1 1 54 54 CYS N N 54 122.530 122.530 121.116 1.414 25957 4443 1 18 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.586 0.140 25957 4444 1 18 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.939 -8.085 25957 4445 1 18 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.299 9.855 25957 4446 1 18 . 1 1 54 54 CYS H H 54 8.621 8.621 8.155 0.466 25957 4447 1 19 . 1 1 2 2 LYS N N 2 119.884 119.884 119.302 0.582 25957 4448 1 19 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.587 0.106 25957 4449 1 19 . 1 1 2 2 LYS H H 2 8.204 8.204 8.169 0.035 25957 4450 1 19 . 1 1 3 3 TYR N N 3 122.994 122.994 118.929 4.065 25957 4451 1 19 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.627 0.213 25957 4452 1 19 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.319 -6.205 25957 4453 1 19 . 1 1 3 3 TYR CB C 3 36.993 36.993 42.174 -5.181 25957 4454 1 19 . 1 1 3 3 TYR H H 3 8.958 8.958 8.091 0.867 25957 4455 1 19 . 1 1 4 4 THR N N 4 116.889 116.889 117.967 -1.078 25957 4456 1 19 . 1 1 4 4 THR HA H 4 5.047 5.047 4.489 0.558 25957 4457 1 19 . 1 1 4 4 THR CA C 4 56.171 56.171 62.035 -5.864 25957 4458 1 19 . 1 1 4 4 THR CB C 4 65.090 65.090 68.667 -3.577 25957 4459 1 19 . 1 1 4 4 THR H H 4 8.859 8.859 8.635 0.224 25957 4460 1 19 . 1 1 5 5 GLY N N 5 115.377 115.377 111.783 3.594 25957 4461 1 19 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.984 -5.532 25957 4462 1 19 . 1 1 5 5 GLY H H 5 9.107 9.107 7.968 1.139 25957 4463 1 19 . 1 1 6 6 LYS N N 6 121.194 121.194 119.009 2.185 25957 4464 1 19 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.039 0.354 25957 4465 1 19 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.384 -5.431 25957 4466 1 19 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.032 -2.691 25957 4467 1 19 . 1 1 6 6 LYS H H 6 8.391 8.391 7.939 0.452 25957 4468 1 19 . 1 1 7 7 CYS N N 7 122.568 122.568 122.719 -0.151 25957 4469 1 19 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.404 0.946 25957 4470 1 19 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.690 -8.942 25957 4471 1 19 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.719 10.244 25957 4472 1 19 . 1 1 7 7 CYS H H 7 9.802 9.802 8.810 0.992 25957 4473 1 19 . 1 1 8 8 THR N N 8 112.882 112.882 119.897 -7.015 25957 4474 1 19 . 1 1 8 8 THR HA H 8 4.715 4.715 4.538 0.177 25957 4475 1 19 . 1 1 8 8 THR CA C 8 54.652 54.652 61.278 -6.625 25957 4476 1 19 . 1 1 8 8 THR CB C 8 65.734 65.734 69.855 -4.121 25957 4477 1 19 . 1 1 8 8 THR H H 8 8.627 8.627 8.549 0.078 25957 4478 1 19 . 1 1 9 9 LYS N N 9 127.151 127.151 129.762 -2.611 25957 4479 1 19 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.129 -0.553 25957 4480 1 19 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.274 -3.735 25957 4481 1 19 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.044 -3.608 25957 4482 1 19 . 1 1 9 9 LYS H H 9 8.919 8.919 9.007 -0.088 25957 4483 1 19 . 1 1 10 10 SER N N 10 116.360 116.360 114.397 1.963 25957 4484 1 19 . 1 1 10 10 SER HA H 10 4.695 4.695 4.343 0.352 25957 4485 1 19 . 1 1 10 10 SER CB C 10 56.449 56.449 63.481 -7.032 25957 4486 1 19 . 1 1 10 10 SER H H 10 9.376 9.376 7.689 1.687 25957 4487 1 19 . 1 1 11 11 LYS N N 11 116.973 116.973 119.485 -2.512 25957 4488 1 19 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.395 -0.213 25957 4489 1 19 . 1 1 11 11 LYS CA C 11 50.660 50.660 56.219 -5.559 25957 4490 1 19 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.488 -5.540 25957 4491 1 19 . 1 1 11 11 LYS H H 11 7.088 7.088 7.602 -0.514 25957 4492 1 19 . 1 1 12 12 ASN N N 12 120.352 120.352 117.354 2.998 25957 4493 1 19 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.484 0.111 25957 4494 1 19 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.574 -6.323 25957 4495 1 19 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.760 -5.885 25957 4496 1 19 . 1 1 12 12 ASN H H 12 7.592 7.592 8.351 -0.759 25957 4497 1 19 . 1 1 13 13 GLU N N 13 114.681 114.681 113.859 0.822 25957 4498 1 19 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.218 -0.332 25957 4499 1 19 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.326 -4.802 25957 4500 1 19 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.106 -4.239 25957 4501 1 19 . 1 1 13 13 GLU H H 13 7.234 7.234 7.668 -0.434 25957 4502 1 19 . 1 1 14 14 CYS N N 14 123.347 123.347 119.371 3.976 25957 4503 1 19 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.226 -0.579 25957 4504 1 19 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.072 -8.595 25957 4505 1 19 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.948 5.888 25957 4506 1 19 . 1 1 14 14 CYS H H 14 9.649 9.649 8.727 0.922 25957 4507 1 19 . 1 1 15 15 LYS N N 15 130.816 130.816 124.186 6.630 25957 4508 1 19 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.518 -0.570 25957 4509 1 19 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.910 -5.852 25957 4510 1 19 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.450 -6.437 25957 4511 1 19 . 1 1 15 15 LYS H H 15 8.650 8.650 8.391 0.259 25957 4512 1 19 . 1 1 16 16 TYR N N 16 126.576 126.576 121.301 5.275 25957 4513 1 19 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.878 0.056 25957 4514 1 19 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.963 -7.467 25957 4515 1 19 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.688 -4.787 25957 4516 1 19 . 1 1 16 16 TYR H H 16 8.995 8.995 7.870 1.125 25957 4517 1 19 . 1 1 17 17 LYS N N 17 120.916 120.916 121.572 -0.656 25957 4518 1 19 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.450 -0.047 25957 4519 1 19 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.556 -6.366 25957 4520 1 19 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.913 -6.430 25957 4521 1 19 . 1 1 17 17 LYS H H 17 8.399 8.399 8.771 -0.372 25957 4522 1 19 . 1 1 18 18 ASN N N 18 122.206 122.206 121.815 0.391 25957 4523 1 19 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.842 -0.823 25957 4524 1 19 . 1 1 18 18 ASN CA C 18 45.661 45.661 52.432 -6.771 25957 4525 1 19 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.706 -7.082 25957 4526 1 19 . 1 1 18 18 ASN H H 18 7.735 7.735 8.301 -0.566 25957 4527 1 19 . 1 1 19 19 SER N N 19 113.607 113.607 114.338 -0.731 25957 4528 1 19 . 1 1 19 19 SER HA H 19 4.695 4.695 4.211 0.484 25957 4529 1 19 . 1 1 19 19 SER CB C 19 57.917 57.917 62.919 -5.002 25957 4530 1 19 . 1 1 19 19 SER H H 19 8.196 8.196 8.715 -0.519 25957 4531 1 19 . 1 1 20 20 ALA N N 20 123.347 123.347 120.657 2.690 25957 4532 1 19 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.178 0.285 25957 4533 1 19 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.090 -6.878 25957 4534 1 19 . 1 1 20 20 ALA CB C 20 13.533 13.533 19.109 -5.576 25957 4535 1 19 . 1 1 20 20 ALA H H 20 7.409 7.409 8.078 -0.669 25957 4536 1 19 . 1 1 21 21 GLY N N 21 107.557 107.557 105.575 1.982 25957 4537 1 19 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.252 -5.104 25957 4538 1 19 . 1 1 21 21 GLY H H 21 8.162 8.162 7.804 0.358 25957 4539 1 19 . 1 1 22 22 LYS N N 22 120.341 120.341 121.445 -1.104 25957 4540 1 19 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.327 0.001 25957 4541 1 19 . 1 1 22 22 LYS CA C 22 49.030 49.030 56.184 -7.154 25957 4542 1 19 . 1 1 22 22 LYS CB C 22 27.478 27.478 33.014 -5.536 25957 4543 1 19 . 1 1 22 22 LYS H H 22 7.621 7.621 7.765 -0.144 25957 4544 1 19 . 1 1 23 23 ASP N N 23 126.799 126.799 121.556 5.243 25957 4545 1 19 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.719 -0.400 25957 4546 1 19 . 1 1 23 23 ASP CA C 23 50.387 50.387 53.985 -3.598 25957 4547 1 19 . 1 1 23 23 ASP CB C 23 35.424 35.424 40.973 -5.549 25957 4548 1 19 . 1 1 23 23 ASP H H 23 8.636 8.636 8.368 0.268 25957 4549 1 19 . 1 1 24 24 THR N N 24 122.688 122.688 118.419 4.269 25957 4550 1 19 . 1 1 24 24 THR HA H 24 4.045 4.045 4.656 -0.611 25957 4551 1 19 . 1 1 24 24 THR CA C 24 56.539 56.539 61.126 -4.587 25957 4552 1 19 . 1 1 24 24 THR CB C 24 65.315 65.315 70.103 -4.788 25957 4553 1 19 . 1 1 24 24 THR H H 24 8.791 8.791 8.107 0.684 25957 4554 1 19 . 1 1 25 25 PHE N N 25 122.187 122.187 126.010 -3.823 25957 4555 1 19 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.588 -3.594 25957 4556 1 19 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.641 -5.050 25957 4557 1 19 . 1 1 25 25 PHE H H 25 8.316 8.316 8.092 0.224 25957 4558 1 19 . 1 1 26 26 ILE N N 26 123.106 123.106 122.983 0.123 25957 4559 1 19 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.464 0.162 25957 4560 1 19 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.431 -6.045 25957 4561 1 19 . 1 1 26 26 ILE CB C 26 36.856 36.856 41.971 -5.115 25957 4562 1 19 . 1 1 26 26 ILE H H 26 9.104 9.104 8.798 0.306 25957 4563 1 19 . 1 1 27 27 LYS N N 27 127.012 127.012 126.767 0.245 25957 4564 1 19 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.879 -0.662 25957 4565 1 19 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.381 -2.830 25957 4566 1 19 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.096 -6.153 25957 4567 1 19 . 1 1 27 27 LYS H H 27 8.317 8.317 8.277 0.040 25957 4568 1 19 . 1 1 28 28 CYS N N 28 119.357 119.357 123.283 -3.926 25957 4569 1 19 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.973 -0.410 25957 4570 1 19 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.768 -5.461 25957 4571 1 19 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.908 7.926 25957 4572 1 19 . 1 1 28 28 CYS H H 28 8.402 8.402 8.962 -0.560 25957 4573 1 19 . 1 1 30 30 LYS N N 30 116.694 116.694 116.730 -0.036 25957 4574 1 19 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.472 -0.497 25957 4575 1 19 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.672 -4.783 25957 4576 1 19 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.731 -5.250 25957 4577 1 19 . 1 1 30 30 LYS H H 30 8.007 8.007 8.385 -0.378 25957 4578 1 19 . 1 1 31 31 PHE N N 31 117.093 117.093 119.739 -2.646 25957 4579 1 19 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.542 -0.040 25957 4580 1 19 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.201 -5.766 25957 4581 1 19 . 1 1 31 31 PHE CB C 31 34.981 34.981 41.373 -6.392 25957 4582 1 19 . 1 1 31 31 PHE H H 31 6.453 6.453 7.776 -1.323 25957 4583 1 19 . 1 1 32 32 ASP N N 32 121.556 121.556 120.497 1.059 25957 4584 1 19 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.333 -0.174 25957 4585 1 19 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.207 -5.926 25957 4586 1 19 . 1 1 32 32 ASP H H 32 8.788 8.788 7.739 1.049 25957 4587 1 19 . 1 1 33 33 ASN N N 33 113.280 113.280 116.455 -3.175 25957 4588 1 19 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.322 0.245 25957 4589 1 19 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.690 -5.943 25957 4590 1 19 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.193 -6.021 25957 4591 1 19 . 1 1 33 33 ASN H H 33 8.446 8.446 8.774 -0.328 25957 4592 1 19 . 1 1 34 34 LYS N N 34 117.362 117.362 116.603 0.759 25957 4593 1 19 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.423 0.423 25957 4594 1 19 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.657 -5.747 25957 4595 1 19 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.888 -3.742 25957 4596 1 19 . 1 1 34 34 LYS H H 34 7.652 7.652 7.547 0.105 25957 4597 1 19 . 1 1 35 35 LYS N N 35 116.833 116.833 118.424 -1.591 25957 4598 1 19 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.437 0.075 25957 4599 1 19 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.574 -5.836 25957 4600 1 19 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.831 -5.695 25957 4601 1 19 . 1 1 35 35 LYS H H 35 6.918 6.918 7.675 -0.757 25957 4602 1 19 . 1 1 36 36 CYS N N 36 117.631 117.631 122.075 -4.444 25957 4603 1 19 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.716 -0.011 25957 4604 1 19 . 1 1 36 36 CYS CB C 36 36.081 36.081 27.933 8.148 25957 4605 1 19 . 1 1 36 36 CYS H H 36 8.542 8.542 8.654 -0.112 25957 4606 1 19 . 1 1 37 37 THR N N 37 122.048 122.048 119.523 2.525 25957 4607 1 19 . 1 1 37 37 THR HA H 37 4.217 4.217 4.540 -0.323 25957 4608 1 19 . 1 1 37 37 THR CA C 37 57.923 57.923 60.031 -2.108 25957 4609 1 19 . 1 1 37 37 THR H H 37 10.132 10.132 7.596 2.536 25957 4610 1 19 . 1 1 38 38 LYS N N 38 122.048 122.048 121.306 0.742 25957 4611 1 19 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.110 0.046 25957 4612 1 19 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.572 -6.323 25957 4613 1 19 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.299 -3.427 25957 4614 1 19 . 1 1 38 38 LYS H H 38 7.254 7.254 8.302 -1.048 25957 4615 1 19 . 1 1 39 39 ASP N N 39 124.813 124.813 121.826 2.987 25957 4616 1 19 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.502 0.084 25957 4617 1 19 . 1 1 39 39 ASP CA C 39 50.018 50.018 58.026 -8.008 25957 4618 1 19 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.862 -6.109 25957 4619 1 19 . 1 1 39 39 ASP H H 39 8.785 8.785 8.694 0.091 25957 4620 1 19 . 1 1 40 40 ASN N N 40 114.848 114.848 114.604 0.244 25957 4621 1 19 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.581 -0.311 25957 4622 1 19 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.609 -3.239 25957 4623 1 19 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.594 -7.067 25957 4624 1 19 . 1 1 40 40 ASN H H 40 9.453 9.453 8.363 1.090 25957 4625 1 19 . 1 1 41 41 ASN N N 41 120.276 120.276 118.753 1.523 25957 4626 1 19 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.521 0.176 25957 4627 1 19 . 1 1 41 41 ASN CB C 41 33.701 33.701 38.988 -5.287 25957 4628 1 19 . 1 1 41 41 ASN H H 41 7.732 7.732 8.065 -0.333 25957 4629 1 19 . 1 1 42 42 LYS N N 42 119.784 119.784 116.453 3.331 25957 4630 1 19 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.430 -0.043 25957 4631 1 19 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.498 -3.574 25957 4632 1 19 . 1 1 42 42 LYS CB C 42 27.959 27.959 32.883 -4.924 25957 4633 1 19 . 1 1 42 42 LYS H H 42 8.513 8.513 8.149 0.364 25957 4634 1 19 . 1 1 43 43 CYS N N 43 114.096 114.096 120.505 -6.409 25957 4635 1 19 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.479 0.889 25957 4636 1 19 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.538 -11.125 25957 4637 1 19 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.272 17.297 25957 4638 1 19 . 1 1 43 43 CYS H H 43 7.547 7.547 8.266 -0.719 25957 4639 1 19 . 1 1 44 44 THR N N 44 113.240 113.240 120.171 -6.931 25957 4640 1 19 . 1 1 44 44 THR HA H 44 5.245 5.245 4.487 0.758 25957 4641 1 19 . 1 1 44 44 THR CA C 44 54.725 54.725 60.702 -5.977 25957 4642 1 19 . 1 1 44 44 THR CB C 44 66.847 66.847 71.851 -5.004 25957 4643 1 19 . 1 1 44 44 THR H H 44 9.020 9.020 7.922 1.098 25957 4644 1 19 . 1 1 45 45 VAL N N 45 121.946 121.946 121.210 0.736 25957 4645 1 19 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.330 0.178 25957 4646 1 19 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.720 -5.313 25957 4647 1 19 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.876 -2.278 25957 4648 1 19 . 1 1 45 45 VAL H H 45 8.583 8.583 8.161 0.422 25957 4649 1 19 . 1 1 46 46 ASP N N 46 126.557 126.557 128.405 -1.848 25957 4650 1 19 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.996 0.270 25957 4651 1 19 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.617 -6.838 25957 4652 1 19 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.339 -6.895 25957 4653 1 19 . 1 1 46 46 ASP H H 46 8.574 8.574 8.705 -0.131 25957 4654 1 19 . 1 1 47 47 THR N N 47 114.542 114.542 113.653 0.889 25957 4655 1 19 . 1 1 47 47 THR HA H 47 4.168 4.168 4.518 -0.350 25957 4656 1 19 . 1 1 47 47 THR CA C 47 58.063 58.063 61.328 -3.265 25957 4657 1 19 . 1 1 47 47 THR CB C 47 63.665 63.665 69.441 -5.776 25957 4658 1 19 . 1 1 47 47 THR H H 47 9.049 9.049 8.159 0.890 25957 4659 1 19 . 1 1 48 48 TYR N N 48 123.857 123.857 120.887 2.970 25957 4660 1 19 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.440 -0.044 25957 4661 1 19 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.432 -4.492 25957 4662 1 19 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.746 -5.631 25957 4663 1 19 . 1 1 48 48 TYR H H 48 8.829 8.829 7.925 0.904 25957 4664 1 19 . 1 1 49 49 ASN N N 49 113.728 113.728 116.250 -2.522 25957 4665 1 19 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.707 -0.212 25957 4666 1 19 . 1 1 49 49 ASN CA C 49 46.595 46.595 53.008 -6.413 25957 4667 1 19 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.392 -5.253 25957 4668 1 19 . 1 1 49 49 ASN H H 49 7.480 7.480 8.290 -0.810 25957 4669 1 19 . 1 1 50 50 ASN N N 50 117.093 117.093 114.964 2.129 25957 4670 1 19 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.418 -0.202 25957 4671 1 19 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.904 -4.859 25957 4672 1 19 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.372 -5.730 25957 4673 1 19 . 1 1 50 50 ASN H H 50 7.916 7.916 7.962 -0.046 25957 4674 1 19 . 1 1 51 51 ALA N N 51 121.083 121.083 120.174 0.909 25957 4675 1 19 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.419 -0.011 25957 4676 1 19 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.022 -4.939 25957 4677 1 19 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.135 -5.142 25957 4678 1 19 . 1 1 51 51 ALA H H 51 7.796 7.796 7.592 0.204 25957 4679 1 19 . 1 1 52 52 VAL N N 52 125.472 125.472 121.132 4.340 25957 4680 1 19 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.122 0.795 25957 4681 1 19 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.933 -6.644 25957 4682 1 19 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.522 -2.775 25957 4683 1 19 . 1 1 52 52 VAL H H 52 8.247 8.247 7.882 0.365 25957 4684 1 19 . 1 1 53 53 ASP N N 53 125.852 125.852 123.862 1.990 25957 4685 1 19 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.874 0.060 25957 4686 1 19 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.583 -5.880 25957 4687 1 19 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.248 -1.030 25957 4688 1 19 . 1 1 53 53 ASP H H 53 8.613 8.613 8.385 0.228 25957 4689 1 19 . 1 1 54 54 CYS N N 54 122.530 122.530 120.998 1.532 25957 4690 1 19 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.593 0.133 25957 4691 1 19 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.795 -7.941 25957 4692 1 19 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.512 9.643 25957 4693 1 19 . 1 1 54 54 CYS H H 54 8.621 8.621 8.183 0.438 25957 4694 1 20 . 1 1 2 2 LYS N N 2 119.884 119.884 120.395 -0.511 25957 4695 1 20 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.558 0.135 25957 4696 1 20 . 1 1 2 2 LYS H H 2 8.204 8.204 8.673 -0.469 25957 4697 1 20 . 1 1 3 3 TYR N N 3 122.994 122.994 119.406 3.588 25957 4698 1 20 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.680 0.160 25957 4699 1 20 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.437 -6.323 25957 4700 1 20 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.904 -4.911 25957 4701 1 20 . 1 1 3 3 TYR H H 3 8.958 8.958 7.801 1.157 25957 4702 1 20 . 1 1 4 4 THR N N 4 116.889 116.889 118.682 -1.793 25957 4703 1 20 . 1 1 4 4 THR HA H 4 5.047 5.047 4.489 0.558 25957 4704 1 20 . 1 1 4 4 THR CA C 4 56.171 56.171 61.674 -5.503 25957 4705 1 20 . 1 1 4 4 THR CB C 4 65.090 65.090 69.264 -4.174 25957 4706 1 20 . 1 1 4 4 THR H H 4 8.859 8.859 8.714 0.145 25957 4707 1 20 . 1 1 5 5 GLY N N 5 115.377 115.377 114.144 1.233 25957 4708 1 20 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.193 -4.741 25957 4709 1 20 . 1 1 5 5 GLY H H 5 9.107 9.107 7.919 1.188 25957 4710 1 20 . 1 1 6 6 LYS N N 6 121.194 121.194 117.107 4.087 25957 4711 1 20 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.072 0.321 25957 4712 1 20 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.293 -5.340 25957 4713 1 20 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.541 -3.200 25957 4714 1 20 . 1 1 6 6 LYS H H 6 8.391 8.391 8.040 0.351 25957 4715 1 20 . 1 1 7 7 CYS N N 7 122.568 122.568 122.531 0.037 25957 4716 1 20 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.554 0.796 25957 4717 1 20 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.690 -8.942 25957 4718 1 20 . 1 1 7 7 CYS CB C 7 39.963 39.963 29.486 10.477 25957 4719 1 20 . 1 1 7 7 CYS H H 7 9.802 9.802 8.629 1.173 25957 4720 1 20 . 1 1 8 8 THR N N 8 112.882 112.882 118.994 -6.112 25957 4721 1 20 . 1 1 8 8 THR HA H 8 4.715 4.715 4.824 -0.109 25957 4722 1 20 . 1 1 8 8 THR CA C 8 54.652 54.652 60.705 -6.053 25957 4723 1 20 . 1 1 8 8 THR CB C 8 65.734 65.734 70.731 -4.997 25957 4724 1 20 . 1 1 8 8 THR H H 8 8.627 8.627 8.239 0.388 25957 4725 1 20 . 1 1 9 9 LYS N N 9 127.151 127.151 129.439 -2.288 25957 4726 1 20 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.055 -0.479 25957 4727 1 20 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.786 -4.247 25957 4728 1 20 . 1 1 9 9 LYS CB C 9 28.436 28.436 32.219 -3.783 25957 4729 1 20 . 1 1 9 9 LYS H H 9 8.919 8.919 8.961 -0.042 25957 4730 1 20 . 1 1 10 10 SER N N 10 116.360 116.360 112.832 3.528 25957 4731 1 20 . 1 1 10 10 SER HA H 10 4.695 4.695 4.340 0.355 25957 4732 1 20 . 1 1 10 10 SER CB C 10 56.449 56.449 63.397 -6.947 25957 4733 1 20 . 1 1 10 10 SER H H 10 9.376 9.376 7.576 1.800 25957 4734 1 20 . 1 1 11 11 LYS N N 11 116.973 116.973 118.096 -1.123 25957 4735 1 20 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.429 -0.247 25957 4736 1 20 . 1 1 11 11 LYS CA C 11 50.660 50.660 56.111 -5.451 25957 4737 1 20 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.824 -5.876 25957 4738 1 20 . 1 1 11 11 LYS H H 11 7.088 7.088 7.679 -0.591 25957 4739 1 20 . 1 1 12 12 ASN N N 12 120.352 120.352 116.713 3.639 25957 4740 1 20 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.416 0.179 25957 4741 1 20 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.477 -6.226 25957 4742 1 20 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.564 -5.689 25957 4743 1 20 . 1 1 12 12 ASN H H 12 7.592 7.592 8.479 -0.887 25957 4744 1 20 . 1 1 13 13 GLU N N 13 114.681 114.681 114.218 0.463 25957 4745 1 20 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.143 -0.257 25957 4746 1 20 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.233 -4.709 25957 4747 1 20 . 1 1 13 13 GLU CB C 13 29.867 29.867 33.965 -4.098 25957 4748 1 20 . 1 1 13 13 GLU H H 13 7.234 7.234 7.615 -0.381 25957 4749 1 20 . 1 1 14 14 CYS N N 14 123.347 123.347 120.170 3.177 25957 4750 1 20 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.223 -0.576 25957 4751 1 20 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.010 -8.533 25957 4752 1 20 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.673 6.163 25957 4753 1 20 . 1 1 14 14 CYS H H 14 9.649 9.649 8.613 1.036 25957 4754 1 20 . 1 1 15 15 LYS N N 15 130.816 130.816 125.163 5.653 25957 4755 1 20 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.631 -0.683 25957 4756 1 20 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.708 -5.649 25957 4757 1 20 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.428 -6.415 25957 4758 1 20 . 1 1 15 15 LYS H H 15 8.650 8.650 8.532 0.118 25957 4759 1 20 . 1 1 16 16 TYR N N 16 126.576 126.576 120.710 5.866 25957 4760 1 20 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.867 0.067 25957 4761 1 20 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.520 -7.024 25957 4762 1 20 . 1 1 16 16 TYR CB C 16 35.901 35.901 40.935 -5.034 25957 4763 1 20 . 1 1 16 16 TYR H H 16 8.995 8.995 7.923 1.072 25957 4764 1 20 . 1 1 17 17 LYS N N 17 120.916 120.916 122.245 -1.329 25957 4765 1 20 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.106 0.297 25957 4766 1 20 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.276 -6.086 25957 4767 1 20 . 1 1 17 17 LYS CB C 17 27.483 27.483 32.756 -5.273 25957 4768 1 20 . 1 1 17 17 LYS H H 17 8.399 8.399 8.686 -0.287 25957 4769 1 20 . 1 1 18 18 ASN N N 18 122.206 122.206 121.952 0.254 25957 4770 1 20 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.299 -0.280 25957 4771 1 20 . 1 1 18 18 ASN CA C 18 45.661 45.661 52.074 -6.413 25957 4772 1 20 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.284 -6.660 25957 4773 1 20 . 1 1 18 18 ASN H H 18 7.735 7.735 7.996 -0.261 25957 4774 1 20 . 1 1 19 19 SER N N 19 113.607 113.607 115.040 -1.433 25957 4775 1 20 . 1 1 19 19 SER HA H 19 4.695 4.695 4.259 0.436 25957 4776 1 20 . 1 1 19 19 SER CB C 19 57.917 57.917 63.089 -5.172 25957 4777 1 20 . 1 1 19 19 SER H H 19 8.196 8.196 8.611 -0.415 25957 4778 1 20 . 1 1 20 20 ALA N N 20 123.347 123.347 121.433 1.914 25957 4779 1 20 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.213 0.250 25957 4780 1 20 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.023 -6.812 25957 4781 1 20 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.492 -4.959 25957 4782 1 20 . 1 1 20 20 ALA H H 20 7.409 7.409 7.977 -0.568 25957 4783 1 20 . 1 1 21 21 GLY N N 21 107.557 107.557 104.845 2.712 25957 4784 1 20 . 1 1 21 21 GLY CA C 21 40.148 40.148 44.977 -4.829 25957 4785 1 20 . 1 1 21 21 GLY H H 21 8.162 8.162 7.637 0.525 25957 4786 1 20 . 1 1 22 22 LYS N N 22 120.341 120.341 123.278 -2.937 25957 4787 1 20 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.352 -0.025 25957 4788 1 20 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.641 -6.611 25957 4789 1 20 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.786 -5.308 25957 4790 1 20 . 1 1 22 22 LYS H H 22 7.621 7.621 7.806 -0.185 25957 4791 1 20 . 1 1 23 23 ASP N N 23 126.799 126.799 125.027 1.772 25957 4792 1 20 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.383 -0.064 25957 4793 1 20 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.321 -3.933 25957 4794 1 20 . 1 1 23 23 ASP CB C 23 35.424 35.424 40.955 -5.530 25957 4795 1 20 . 1 1 23 23 ASP H H 23 8.636 8.636 8.457 0.179 25957 4796 1 20 . 1 1 24 24 THR N N 24 122.688 122.688 117.982 4.706 25957 4797 1 20 . 1 1 24 24 THR HA H 24 4.045 4.045 4.731 -0.686 25957 4798 1 20 . 1 1 24 24 THR CA C 24 56.539 56.539 61.040 -4.501 25957 4799 1 20 . 1 1 24 24 THR CB C 24 65.315 65.315 69.996 -4.681 25957 4800 1 20 . 1 1 24 24 THR H H 24 8.791 8.791 7.873 0.918 25957 4801 1 20 . 1 1 25 25 PHE N N 25 122.187 122.187 125.767 -3.580 25957 4802 1 20 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.814 -3.820 25957 4803 1 20 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.541 -4.950 25957 4804 1 20 . 1 1 25 25 PHE H H 25 8.316 8.316 8.231 0.085 25957 4805 1 20 . 1 1 26 26 ILE N N 26 123.106 123.106 123.583 -0.477 25957 4806 1 20 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.417 0.209 25957 4807 1 20 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.828 -6.442 25957 4808 1 20 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.320 -5.464 25957 4809 1 20 . 1 1 26 26 ILE H H 26 9.104 9.104 8.592 0.512 25957 4810 1 20 . 1 1 27 27 LYS N N 27 127.012 127.012 126.317 0.695 25957 4811 1 20 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.703 -0.486 25957 4812 1 20 . 1 1 27 27 LYS CA C 27 52.551 52.551 56.277 -3.726 25957 4813 1 20 . 1 1 27 27 LYS CB C 27 26.943 26.943 33.323 -6.380 25957 4814 1 20 . 1 1 27 27 LYS H H 27 8.317 8.317 8.260 0.057 25957 4815 1 20 . 1 1 28 28 CYS N N 28 119.357 119.357 122.944 -3.587 25957 4816 1 20 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.936 -0.373 25957 4817 1 20 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.271 -4.964 25957 4818 1 20 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.631 8.203 25957 4819 1 20 . 1 1 28 28 CYS H H 28 8.402 8.402 8.774 -0.372 25957 4820 1 20 . 1 1 30 30 LYS N N 30 116.694 116.694 117.142 -0.448 25957 4821 1 20 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.408 -0.433 25957 4822 1 20 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.605 -4.716 25957 4823 1 20 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.857 -5.376 25957 4824 1 20 . 1 1 30 30 LYS H H 30 8.007 8.007 8.392 -0.385 25957 4825 1 20 . 1 1 31 31 PHE N N 31 117.093 117.093 119.113 -2.020 25957 4826 1 20 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.573 -0.071 25957 4827 1 20 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.246 -5.811 25957 4828 1 20 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.870 -5.889 25957 4829 1 20 . 1 1 31 31 PHE H H 31 6.453 6.453 7.660 -1.207 25957 4830 1 20 . 1 1 32 32 ASP N N 32 121.556 121.556 120.238 1.318 25957 4831 1 20 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.350 -0.191 25957 4832 1 20 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.458 -6.177 25957 4833 1 20 . 1 1 32 32 ASP H H 32 8.788 8.788 7.769 1.019 25957 4834 1 20 . 1 1 33 33 ASN N N 33 113.280 113.280 116.374 -3.094 25957 4835 1 20 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.326 0.241 25957 4836 1 20 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.768 -6.021 25957 4837 1 20 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.114 -5.942 25957 4838 1 20 . 1 1 33 33 ASN H H 33 8.446 8.446 8.759 -0.313 25957 4839 1 20 . 1 1 34 34 LYS N N 34 117.362 117.362 116.685 0.677 25957 4840 1 20 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.424 0.422 25957 4841 1 20 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.669 -5.760 25957 4842 1 20 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.867 -3.721 25957 4843 1 20 . 1 1 34 34 LYS H H 34 7.652 7.652 7.542 0.110 25957 4844 1 20 . 1 1 35 35 LYS N N 35 116.833 116.833 118.511 -1.678 25957 4845 1 20 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.428 0.084 25957 4846 1 20 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.618 -5.880 25957 4847 1 20 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.781 -5.645 25957 4848 1 20 . 1 1 35 35 LYS H H 35 6.918 6.918 7.636 -0.718 25957 4849 1 20 . 1 1 36 36 CYS N N 36 117.631 117.631 121.935 -4.304 25957 4850 1 20 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.738 -0.033 25957 4851 1 20 . 1 1 36 36 CYS CB C 36 36.081 36.081 27.820 8.261 25957 4852 1 20 . 1 1 36 36 CYS H H 36 8.542 8.542 8.518 0.024 25957 4853 1 20 . 1 1 37 37 THR N N 37 122.048 122.048 115.981 6.067 25957 4854 1 20 . 1 1 37 37 THR HA H 37 4.217 4.217 4.510 -0.293 25957 4855 1 20 . 1 1 37 37 THR CA C 37 57.923 57.923 59.975 -2.052 25957 4856 1 20 . 1 1 37 37 THR H H 37 10.132 10.132 8.127 2.005 25957 4857 1 20 . 1 1 38 38 LYS N N 38 122.048 122.048 121.510 0.538 25957 4858 1 20 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.119 0.037 25957 4859 1 20 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.672 -6.423 25957 4860 1 20 . 1 1 38 38 LYS CB C 38 29.872 29.872 32.781 -2.909 25957 4861 1 20 . 1 1 38 38 LYS H H 38 7.254 7.254 8.360 -1.106 25957 4862 1 20 . 1 1 39 39 ASP N N 39 124.813 124.813 123.861 0.952 25957 4863 1 20 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.421 0.165 25957 4864 1 20 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.502 -7.484 25957 4865 1 20 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.583 -5.830 25957 4866 1 20 . 1 1 39 39 ASP H H 39 8.785 8.785 8.532 0.253 25957 4867 1 20 . 1 1 40 40 ASN N N 40 114.848 114.848 115.357 -0.509 25957 4868 1 20 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.546 -0.276 25957 4869 1 20 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.845 -3.475 25957 4870 1 20 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.302 -6.775 25957 4871 1 20 . 1 1 40 40 ASN H H 40 9.453 9.453 8.443 1.010 25957 4872 1 20 . 1 1 41 41 ASN N N 41 120.276 120.276 119.039 1.237 25957 4873 1 20 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.555 0.142 25957 4874 1 20 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.151 -5.449 25957 4875 1 20 . 1 1 41 41 ASN H H 41 7.732 7.732 8.138 -0.406 25957 4876 1 20 . 1 1 42 42 LYS N N 42 119.784 119.784 116.148 3.636 25957 4877 1 20 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.420 -0.033 25957 4878 1 20 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.564 -3.640 25957 4879 1 20 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.285 -5.327 25957 4880 1 20 . 1 1 42 42 LYS H H 42 8.513 8.513 8.036 0.477 25957 4881 1 20 . 1 1 43 43 CYS N N 43 114.096 114.096 120.025 -5.929 25957 4882 1 20 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.532 0.836 25957 4883 1 20 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.396 -10.983 25957 4884 1 20 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.760 16.809 25957 4885 1 20 . 1 1 43 43 CYS H H 43 7.547 7.547 8.154 -0.607 25957 4886 1 20 . 1 1 44 44 THR N N 44 113.240 113.240 121.150 -7.910 25957 4887 1 20 . 1 1 44 44 THR HA H 44 5.245 5.245 4.479 0.766 25957 4888 1 20 . 1 1 44 44 THR CA C 44 54.725 54.725 60.661 -5.936 25957 4889 1 20 . 1 1 44 44 THR CB C 44 66.847 66.847 72.098 -5.251 25957 4890 1 20 . 1 1 44 44 THR H H 44 9.020 9.020 8.034 0.986 25957 4891 1 20 . 1 1 45 45 VAL N N 45 121.946 121.946 121.058 0.888 25957 4892 1 20 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.319 0.189 25957 4893 1 20 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.181 -4.774 25957 4894 1 20 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.992 -2.394 25957 4895 1 20 . 1 1 45 45 VAL H H 45 8.583 8.583 7.745 0.838 25957 4896 1 20 . 1 1 46 46 ASP N N 46 126.557 126.557 128.583 -2.026 25957 4897 1 20 . 1 1 46 46 ASP HA H 46 5.266 5.266 5.040 0.226 25957 4898 1 20 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.394 -6.614 25957 4899 1 20 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.903 -7.459 25957 4900 1 20 . 1 1 46 46 ASP H H 46 8.574 8.574 8.254 0.320 25957 4901 1 20 . 1 1 47 47 THR N N 47 114.542 114.542 110.736 3.806 25957 4902 1 20 . 1 1 47 47 THR HA H 47 4.168 4.168 4.555 -0.387 25957 4903 1 20 . 1 1 47 47 THR CA C 47 58.063 58.063 61.721 -3.658 25957 4904 1 20 . 1 1 47 47 THR CB C 47 63.665 63.665 69.612 -5.947 25957 4905 1 20 . 1 1 47 47 THR H H 47 9.049 9.049 8.356 0.693 25957 4906 1 20 . 1 1 48 48 TYR N N 48 123.857 123.857 122.045 1.812 25957 4907 1 20 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.452 -0.056 25957 4908 1 20 . 1 1 48 48 TYR CA C 48 54.940 54.940 60.373 -5.433 25957 4909 1 20 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.488 -5.373 25957 4910 1 20 . 1 1 48 48 TYR H H 48 8.829 8.829 8.093 0.736 25957 4911 1 20 . 1 1 49 49 ASN N N 49 113.728 113.728 116.215 -2.487 25957 4912 1 20 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.685 -0.190 25957 4913 1 20 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.993 -6.398 25957 4914 1 20 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.482 -5.342 25957 4915 1 20 . 1 1 49 49 ASN H H 49 7.480 7.480 8.204 -0.724 25957 4916 1 20 . 1 1 50 50 ASN N N 50 117.093 117.093 114.909 2.184 25957 4917 1 20 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.427 -0.211 25957 4918 1 20 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.798 -4.753 25957 4919 1 20 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.274 -5.632 25957 4920 1 20 . 1 1 50 50 ASN H H 50 7.916 7.916 7.958 -0.042 25957 4921 1 20 . 1 1 51 51 ALA N N 51 121.083 121.083 120.549 0.534 25957 4922 1 20 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.430 -0.022 25957 4923 1 20 . 1 1 51 51 ALA CA C 51 47.083 47.083 52.170 -5.087 25957 4924 1 20 . 1 1 51 51 ALA CB C 51 14.993 14.993 19.731 -4.738 25957 4925 1 20 . 1 1 51 51 ALA H H 51 7.796 7.796 7.451 0.345 25957 4926 1 20 . 1 1 52 52 VAL N N 52 125.472 125.472 118.448 7.024 25957 4927 1 20 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.300 0.617 25957 4928 1 20 . 1 1 52 52 VAL CA C 52 55.289 55.289 60.417 -5.128 25957 4929 1 20 . 1 1 52 52 VAL CB C 52 29.747 29.747 32.933 -3.186 25957 4930 1 20 . 1 1 52 52 VAL H H 52 8.247 8.247 7.862 0.385 25957 4931 1 20 . 1 1 53 53 ASP N N 53 125.852 125.852 121.116 4.736 25957 4932 1 20 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.755 0.179 25957 4933 1 20 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.043 -5.340 25957 4934 1 20 . 1 1 53 53 ASP CB C 53 38.218 38.218 38.823 -0.605 25957 4935 1 20 . 1 1 53 53 ASP H H 53 8.613 8.613 8.270 0.343 25957 4936 1 20 . 1 1 54 54 CYS N N 54 122.530 122.530 121.507 1.023 25957 4937 1 20 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.662 0.064 25957 4938 1 20 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.846 -7.992 25957 4939 1 20 . 1 1 54 54 CYS CB C 54 39.154 39.154 28.818 10.336 25957 4940 1 20 . 1 1 54 54 CYS H H 54 8.621 8.621 8.171 0.450 25957 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 52 3.244 -0.376 3.254 25957 2 1 1 "Average Difference" HA 53 0.399 -0.018 0.402 25957 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25957 4 1 1 "Average Difference" CA 46 5.893 5.654 1.680 25957 5 1 1 "Average Difference" CB 48 6.172 3.224 5.319 25957 6 1 1 "Average Difference" HN 52 0.712 -0.185 0.694 25957 7 1 2 "Average Difference" N 52 3.188 -0.210 3.212 25957 8 1 2 "Average Difference" HA 53 0.389 -0.039 0.391 25957 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25957 10 1 2 "Average Difference" CA 46 5.971 5.734 1.684 25957 11 1 2 "Average Difference" CB 48 6.178 3.251 5.309 25957 12 1 2 "Average Difference" HN 52 0.732 -0.208 0.709 25957 13 1 3 "Average Difference" N 52 3.395 -0.255 3.418 25957 14 1 3 "Average Difference" HA 53 0.409 -0.006 0.413 25957 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25957 16 1 3 "Average Difference" CA 46 5.940 5.712 1.645 25957 17 1 3 "Average Difference" CB 48 6.154 3.243 5.286 25957 18 1 3 "Average Difference" HN 52 0.723 -0.189 0.704 25957 19 1 4 "Average Difference" N 52 3.125 -0.216 3.148 25957 20 1 4 "Average Difference" HA 53 0.416 -0.027 0.419 25957 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25957 22 1 4 "Average Difference" CA 46 5.851 5.624 1.633 25957 23 1 4 "Average Difference" CB 48 6.106 3.218 5.244 25957 24 1 4 "Average Difference" HN 52 0.701 -0.168 0.688 25957 25 1 5 "Average Difference" N 52 3.481 -0.211 3.508 25957 26 1 5 "Average Difference" HA 53 0.397 0.004 0.401 25957 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25957 28 1 5 "Average Difference" CA 46 5.905 5.691 1.593 25957 29 1 5 "Average Difference" CB 48 6.103 3.258 5.216 25957 30 1 5 "Average Difference" HN 52 0.719 -0.170 0.706 25957 31 1 6 "Average Difference" N 52 3.272 -0.152 3.301 25957 32 1 6 "Average Difference" HA 53 0.401 -0.007 0.404 25957 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25957 34 1 6 "Average Difference" CA 46 5.911 5.684 1.640 25957 35 1 6 "Average Difference" CB 48 6.110 3.200 5.260 25957 36 1 6 "Average Difference" HN 52 0.729 -0.209 0.705 25957 37 1 7 "Average Difference" N 52 3.222 -0.574 3.202 25957 38 1 7 "Average Difference" HA 53 0.405 0.006 0.409 25957 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25957 40 1 7 "Average Difference" CA 46 5.868 5.629 1.677 25957 41 1 7 "Average Difference" CB 48 6.181 3.302 5.281 25957 42 1 7 "Average Difference" HN 52 0.711 -0.182 0.694 25957 43 1 8 "Average Difference" N 52 3.179 -0.308 3.195 25957 44 1 8 "Average Difference" HA 53 0.381 -0.025 0.384 25957 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25957 46 1 8 "Average Difference" CA 46 5.929 5.708 1.623 25957 47 1 8 "Average Difference" CB 48 6.119 3.235 5.249 25957 48 1 8 "Average Difference" HN 52 0.724 -0.195 0.704 25957 49 1 9 "Average Difference" N 52 3.406 -0.319 3.424 25957 50 1 9 "Average Difference" HA 53 0.397 0.006 0.401 25957 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25957 52 1 9 "Average Difference" CA 46 5.852 5.640 1.577 25957 53 1 9 "Average Difference" CB 48 6.122 3.217 5.263 25957 54 1 9 "Average Difference" HN 52 0.719 -0.184 0.702 25957 55 1 10 "Average Difference" N 52 3.533 -0.541 3.526 25957 56 1 10 "Average Difference" HA 53 0.392 0.010 0.395 25957 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25957 58 1 10 "Average Difference" CA 46 5.856 5.633 1.621 25957 59 1 10 "Average Difference" CB 48 6.091 3.252 5.205 25957 60 1 10 "Average Difference" HN 52 0.734 -0.212 0.709 25957 61 1 11 "Average Difference" N 52 3.303 -0.197 3.329 25957 62 1 11 "Average Difference" HA 53 0.393 -0.001 0.397 25957 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25957 64 1 11 "Average Difference" CA 46 5.850 5.634 1.593 25957 65 1 11 "Average Difference" CB 48 6.131 3.181 5.297 25957 66 1 11 "Average Difference" HN 52 0.720 -0.201 0.698 25957 67 1 12 "Average Difference" N 52 3.038 -0.210 3.060 25957 68 1 12 "Average Difference" HA 53 0.392 -0.004 0.396 25957 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25957 70 1 12 "Average Difference" CA 46 5.966 5.747 1.621 25957 71 1 12 "Average Difference" CB 48 6.124 3.213 5.269 25957 72 1 12 "Average Difference" HN 52 0.714 -0.166 0.701 25957 73 1 13 "Average Difference" N 52 3.145 -0.206 3.169 25957 74 1 13 "Average Difference" HA 53 0.387 -0.008 0.391 25957 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25957 76 1 13 "Average Difference" CA 46 5.900 5.696 1.555 25957 77 1 13 "Average Difference" CB 48 6.143 3.224 5.285 25957 78 1 13 "Average Difference" HN 52 0.707 -0.176 0.692 25957 79 1 14 "Average Difference" N 52 3.020 -0.056 3.048 25957 80 1 14 "Average Difference" HA 53 0.383 -0.032 0.385 25957 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25957 82 1 14 "Average Difference" CA 46 5.929 5.689 1.688 25957 83 1 14 "Average Difference" CB 48 6.214 3.225 5.368 25957 84 1 14 "Average Difference" HN 52 0.724 -0.187 0.707 25957 85 1 15 "Average Difference" N 52 3.405 -0.434 3.410 25957 86 1 15 "Average Difference" HA 53 0.401 -0.011 0.405 25957 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25957 88 1 15 "Average Difference" CA 46 5.842 5.610 1.647 25957 89 1 15 "Average Difference" CB 48 6.135 3.235 5.268 25957 90 1 15 "Average Difference" HN 52 0.682 -0.226 0.649 25957 91 1 16 "Average Difference" N 52 3.194 -0.289 3.212 25957 92 1 16 "Average Difference" HA 53 0.392 -0.005 0.396 25957 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25957 94 1 16 "Average Difference" CA 46 5.867 5.645 1.619 25957 95 1 16 "Average Difference" CB 48 6.179 3.218 5.330 25957 96 1 16 "Average Difference" HN 52 0.739 -0.189 0.721 25957 97 1 17 "Average Difference" N 52 3.296 -0.263 3.317 25957 98 1 17 "Average Difference" HA 53 0.403 0.003 0.407 25957 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25957 100 1 17 "Average Difference" CA 46 5.860 5.635 1.623 25957 101 1 17 "Average Difference" CB 48 6.120 3.191 5.278 25957 102 1 17 "Average Difference" HN 52 0.709 -0.176 0.694 25957 103 1 18 "Average Difference" N 52 3.162 -0.088 3.192 25957 104 1 18 "Average Difference" HA 53 0.397 -0.009 0.400 25957 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25957 106 1 18 "Average Difference" CA 46 5.954 5.735 1.618 25957 107 1 18 "Average Difference" CB 48 6.118 3.294 5.210 25957 108 1 18 "Average Difference" HN 52 0.723 -0.146 0.715 25957 109 1 19 "Average Difference" N 52 3.096 -0.432 3.096 25957 110 1 19 "Average Difference" HA 53 0.401 -0.006 0.404 25957 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25957 112 1 19 "Average Difference" CA 46 5.984 5.746 1.689 25957 113 1 19 "Average Difference" CB 48 6.179 3.241 5.316 25957 114 1 19 "Average Difference" HN 52 0.746 -0.170 0.734 25957 115 1 20 "Average Difference" N 52 3.255 -0.465 3.253 25957 116 1 20 "Average Difference" HA 53 0.374 -0.012 0.377 25957 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25957 118 1 20 "Average Difference" CA 46 5.866 5.657 1.567 25957 119 1 20 "Average Difference" CB 48 6.186 3.213 5.342 25957 120 1 20 "Average Difference" HN 52 0.733 -0.206 0.710 25957 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 25957 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 119.884 119.884 120.491 -0.607 25957 2 1 . 1 1 2 2 LYS HA H 2 4.693 4.693 4.571 0.122 25957 3 1 . 1 1 2 2 LYS H H 2 8.204 8.204 8.420 -0.216 25957 4 1 . 1 1 3 3 TYR N N 3 122.994 122.994 119.451 3.543 25957 5 1 . 1 1 3 3 TYR HA H 3 4.840 4.840 4.706 0.134 25957 6 1 . 1 1 3 3 TYR CA C 3 51.114 51.114 57.287 -6.173 25957 7 1 . 1 1 3 3 TYR CB C 3 36.993 36.993 41.889 -4.896 25957 8 1 . 1 1 3 3 TYR H H 3 8.958 8.958 8.096 0.862 25957 9 1 . 1 1 4 4 THR N N 4 116.889 116.889 118.625 -1.736 25957 10 1 . 1 1 4 4 THR HA H 4 5.047 5.047 4.481 0.566 25957 11 1 . 1 1 4 4 THR CA C 4 56.171 56.171 62.330 -6.159 25957 12 1 . 1 1 4 4 THR CB C 4 65.090 65.090 69.079 -3.989 25957 13 1 . 1 1 4 4 THR H H 4 8.859 8.859 8.508 0.351 25957 14 1 . 1 1 5 5 GLY N N 5 115.377 115.377 112.008 3.369 25957 15 1 . 1 1 5 5 GLY CA C 5 39.452 39.452 44.329 -4.877 25957 16 1 . 1 1 5 5 GLY H H 5 9.107 9.107 7.930 1.177 25957 17 1 . 1 1 6 6 LYS N N 6 121.194 121.194 117.562 3.632 25957 18 1 . 1 1 6 6 LYS HA H 6 5.393 5.393 5.103 0.290 25957 19 1 . 1 1 6 6 LYS CA C 6 48.953 48.953 54.378 -5.425 25957 20 1 . 1 1 6 6 LYS CB C 6 32.341 32.341 35.448 -3.107 25957 21 1 . 1 1 6 6 LYS H H 6 8.391 8.391 7.949 0.442 25957 22 1 . 1 1 7 7 CYS N N 7 122.568 122.568 122.817 -0.249 25957 23 1 . 1 1 7 7 CYS HA H 7 6.350 6.350 5.457 0.893 25957 24 1 . 1 1 7 7 CYS CA C 7 47.748 47.748 56.666 -8.918 25957 25 1 . 1 1 7 7 CYS CB C 7 39.963 39.963 30.116 9.847 25957 26 1 . 1 1 7 7 CYS H H 7 9.802 9.802 8.744 1.058 25957 27 1 . 1 1 8 8 THR N N 8 112.882 112.882 119.076 -6.194 25957 28 1 . 1 1 8 8 THR HA H 8 4.715 4.715 4.652 0.063 25957 29 1 . 1 1 8 8 THR CA C 8 54.652 54.652 60.548 -5.896 25957 30 1 . 1 1 8 8 THR CB C 8 65.734 65.734 70.414 -4.680 25957 31 1 . 1 1 8 8 THR H H 8 8.627 8.627 8.436 0.191 25957 32 1 . 1 1 9 9 LYS N N 9 127.151 127.151 129.334 -2.183 25957 33 1 . 1 1 9 9 LYS HA H 9 3.576 3.576 4.103 -0.527 25957 34 1 . 1 1 9 9 LYS CA C 9 54.539 54.539 58.506 -3.967 25957 35 1 . 1 1 9 9 LYS CB C 9 28.436 28.436 31.979 -3.543 25957 36 1 . 1 1 9 9 LYS H H 9 8.919 8.919 8.958 -0.039 25957 37 1 . 1 1 10 10 SER N N 10 116.360 116.360 114.269 2.091 25957 38 1 . 1 1 10 10 SER HA H 10 4.695 4.695 4.306 0.389 25957 39 1 . 1 1 10 10 SER CB C 10 56.449 56.449 63.474 -7.025 25957 40 1 . 1 1 10 10 SER H H 10 9.376 9.376 7.728 1.648 25957 41 1 . 1 1 11 11 LYS N N 11 116.973 116.973 118.428 -1.455 25957 42 1 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.454 -0.272 25957 43 1 . 1 1 11 11 LYS CA C 11 50.660 50.660 55.615 -4.955 25957 44 1 . 1 1 11 11 LYS CB C 11 27.948 27.948 33.488 -5.540 25957 45 1 . 1 1 11 11 LYS H H 11 7.088 7.088 7.641 -0.553 25957 46 1 . 1 1 12 12 ASN N N 12 120.352 120.352 117.287 3.065 25957 47 1 . 1 1 12 12 ASN HA H 12 4.595 4.595 4.397 0.198 25957 48 1 . 1 1 12 12 ASN CA C 12 48.251 48.251 54.545 -6.294 25957 49 1 . 1 1 12 12 ASN CB C 12 31.875 31.875 37.493 -5.618 25957 50 1 . 1 1 12 12 ASN H H 12 7.592 7.592 8.352 -0.760 25957 51 1 . 1 1 13 13 GLU N N 13 114.681 114.681 114.201 0.480 25957 52 1 . 1 1 13 13 GLU HA H 13 4.886 4.886 5.135 -0.249 25957 53 1 . 1 1 13 13 GLU CA C 13 49.524 49.524 54.375 -4.851 25957 54 1 . 1 1 13 13 GLU CB C 13 29.867 29.867 34.049 -4.182 25957 55 1 . 1 1 13 13 GLU H H 13 7.234 7.234 7.627 -0.393 25957 56 1 . 1 1 14 14 CYS N N 14 123.347 123.347 119.498 3.849 25957 57 1 . 1 1 14 14 CYS HA H 14 4.647 4.647 5.222 -0.575 25957 58 1 . 1 1 14 14 CYS CA C 14 48.477 48.477 57.172 -8.695 25957 59 1 . 1 1 14 14 CYS CB C 14 36.836 36.836 30.657 6.178 25957 60 1 . 1 1 14 14 CYS H H 14 9.649 9.649 8.636 1.013 25957 61 1 . 1 1 15 15 LYS N N 15 130.816 130.816 124.383 6.433 25957 62 1 . 1 1 15 15 LYS HA H 15 4.948 4.948 5.634 -0.686 25957 63 1 . 1 1 15 15 LYS CA C 15 49.058 49.058 54.758 -5.699 25957 64 1 . 1 1 15 15 LYS CB C 15 29.013 29.013 35.644 -6.631 25957 65 1 . 1 1 15 15 LYS H H 15 8.650 8.650 8.521 0.129 25957 66 1 . 1 1 16 16 TYR N N 16 126.576 126.576 120.710 5.866 25957 67 1 . 1 1 16 16 TYR HA H 16 4.934 4.934 4.897 0.037 25957 68 1 . 1 1 16 16 TYR CA C 16 49.496 49.496 56.457 -6.961 25957 69 1 . 1 1 16 16 TYR CB C 16 35.901 35.901 41.300 -5.399 25957 70 1 . 1 1 16 16 TYR H H 16 8.995 8.995 7.974 1.021 25957 71 1 . 1 1 17 17 LYS N N 17 120.916 120.916 122.490 -1.574 25957 72 1 . 1 1 17 17 LYS HA H 17 4.403 4.403 4.244 0.159 25957 73 1 . 1 1 17 17 LYS CA C 17 49.190 49.190 55.489 -6.299 25957 74 1 . 1 1 17 17 LYS CB C 17 27.483 27.483 33.151 -5.668 25957 75 1 . 1 1 17 17 LYS H H 17 8.399 8.399 8.678 -0.279 25957 76 1 . 1 1 18 18 ASN N N 18 122.206 122.206 122.460 -0.254 25957 77 1 . 1 1 18 18 ASN HA H 18 4.019 4.019 4.677 -0.658 25957 78 1 . 1 1 18 18 ASN CA C 18 45.661 45.661 51.949 -6.288 25957 79 1 . 1 1 18 18 ASN CB C 18 32.624 32.624 39.695 -7.071 25957 80 1 . 1 1 18 18 ASN H H 18 7.735 7.735 8.190 -0.455 25957 81 1 . 1 1 19 19 SER N N 19 113.607 113.607 115.141 -1.534 25957 82 1 . 1 1 19 19 SER HA H 19 4.695 4.695 4.166 0.529 25957 83 1 . 1 1 19 19 SER CB C 19 57.917 57.917 63.150 -5.233 25957 84 1 . 1 1 19 19 SER H H 19 8.196 8.196 8.634 -0.438 25957 85 1 . 1 1 20 20 ALA N N 20 123.347 123.347 120.988 2.359 25957 86 1 . 1 1 20 20 ALA HA H 20 4.463 4.463 4.178 0.285 25957 87 1 . 1 1 20 20 ALA CA C 20 46.211 46.211 53.022 -6.811 25957 88 1 . 1 1 20 20 ALA CB C 20 13.533 13.533 18.709 -5.176 25957 89 1 . 1 1 20 20 ALA H H 20 7.409 7.409 8.022 -0.613 25957 90 1 . 1 1 21 21 GLY N N 21 107.557 107.557 105.227 2.330 25957 91 1 . 1 1 21 21 GLY CA C 21 40.148 40.148 45.031 -4.883 25957 92 1 . 1 1 21 21 GLY H H 21 8.162 8.162 7.647 0.515 25957 93 1 . 1 1 22 22 LYS N N 22 120.341 120.341 122.683 -2.342 25957 94 1 . 1 1 22 22 LYS HA H 22 4.327 4.327 4.341 -0.014 25957 95 1 . 1 1 22 22 LYS CA C 22 49.030 49.030 55.698 -6.668 25957 96 1 . 1 1 22 22 LYS CB C 22 27.478 27.478 32.727 -5.249 25957 97 1 . 1 1 22 22 LYS H H 22 7.621 7.621 7.785 -0.164 25957 98 1 . 1 1 23 23 ASP N N 23 126.799 126.799 123.968 2.831 25957 99 1 . 1 1 23 23 ASP HA H 23 4.319 4.319 4.412 -0.093 25957 100 1 . 1 1 23 23 ASP CA C 23 50.387 50.387 54.534 -4.147 25957 101 1 . 1 1 23 23 ASP CB C 23 35.424 35.424 41.106 -5.682 25957 102 1 . 1 1 23 23 ASP H H 23 8.636 8.636 8.436 0.200 25957 103 1 . 1 1 24 24 THR N N 24 122.688 122.688 117.685 5.003 25957 104 1 . 1 1 24 24 THR HA H 24 4.045 4.045 4.609 -0.564 25957 105 1 . 1 1 24 24 THR CA C 24 56.539 56.539 60.848 -4.309 25957 106 1 . 1 1 24 24 THR CB C 24 65.315 65.315 70.088 -4.773 25957 107 1 . 1 1 24 24 THR H H 24 8.791 8.791 7.897 0.894 25957 108 1 . 1 1 25 25 PHE N N 25 122.187 122.187 125.925 -3.738 25957 109 1 . 1 1 25 25 PHE CA C 25 50.994 50.994 54.918 -3.924 25957 110 1 . 1 1 25 25 PHE CB C 25 36.591 36.591 41.294 -4.703 25957 111 1 . 1 1 25 25 PHE H H 25 8.316 8.316 8.016 0.300 25957 112 1 . 1 1 26 26 ILE N N 26 123.106 123.106 124.256 -1.150 25957 113 1 . 1 1 26 26 ILE HA H 26 4.626 4.626 4.495 0.131 25957 114 1 . 1 1 26 26 ILE CA C 26 54.386 54.386 60.053 -5.667 25957 115 1 . 1 1 26 26 ILE CB C 26 36.856 36.856 42.079 -5.223 25957 116 1 . 1 1 26 26 ILE H H 26 9.104 9.104 8.681 0.423 25957 117 1 . 1 1 27 27 LYS N N 27 127.012 127.012 127.087 -0.075 25957 118 1 . 1 1 27 27 LYS HA H 27 4.217 4.217 4.757 -0.540 25957 119 1 . 1 1 27 27 LYS CA C 27 52.551 52.551 55.785 -3.234 25957 120 1 . 1 1 27 27 LYS CB C 27 26.943 26.943 32.990 -6.047 25957 121 1 . 1 1 27 27 LYS H H 27 8.317 8.317 8.314 0.003 25957 122 1 . 1 1 28 28 CYS N N 28 119.357 119.357 123.125 -3.768 25957 123 1 . 1 1 28 28 CYS HA H 28 4.563 4.563 4.953 -0.390 25957 124 1 . 1 1 28 28 CYS CA C 28 51.307 51.307 56.616 -5.309 25957 125 1 . 1 1 28 28 CYS CB C 28 35.834 35.834 27.847 7.987 25957 126 1 . 1 1 28 28 CYS H H 28 8.402 8.402 8.800 -0.398 25957 127 1 . 1 1 30 30 LYS N N 30 116.694 116.694 116.722 -0.028 25957 128 1 . 1 1 30 30 LYS HA H 30 3.975 3.975 4.464 -0.489 25957 129 1 . 1 1 30 30 LYS CA C 30 50.889 50.889 55.575 -4.686 25957 130 1 . 1 1 30 30 LYS CB C 30 27.481 27.481 32.687 -5.206 25957 131 1 . 1 1 30 30 LYS H H 30 8.007 8.007 8.421 -0.414 25957 132 1 . 1 1 31 31 PHE N N 31 117.093 117.093 119.728 -2.635 25957 133 1 . 1 1 31 31 PHE HA H 31 4.502 4.502 4.566 -0.064 25957 134 1 . 1 1 31 31 PHE CA C 31 51.435 51.435 57.117 -5.682 25957 135 1 . 1 1 31 31 PHE CB C 31 34.981 34.981 40.993 -6.012 25957 136 1 . 1 1 31 31 PHE H H 31 6.453 6.453 7.688 -1.235 25957 137 1 . 1 1 32 32 ASP N N 32 121.556 121.556 120.622 0.934 25957 138 1 . 1 1 32 32 ASP HA H 32 4.159 4.159 4.344 -0.185 25957 139 1 . 1 1 32 32 ASP CB C 32 35.281 35.281 41.087 -5.806 25957 140 1 . 1 1 32 32 ASP H H 32 8.788 8.788 7.738 1.050 25957 141 1 . 1 1 33 33 ASN N N 33 113.280 113.280 116.545 -3.265 25957 142 1 . 1 1 33 33 ASN HA H 33 4.567 4.567 4.285 0.282 25957 143 1 . 1 1 33 33 ASN CA C 33 48.747 48.747 54.750 -6.003 25957 144 1 . 1 1 33 33 ASN CB C 33 32.172 32.172 38.097 -5.925 25957 145 1 . 1 1 33 33 ASN H H 33 8.446 8.446 8.702 -0.256 25957 146 1 . 1 1 34 34 LYS N N 34 117.362 117.362 116.443 0.919 25957 147 1 . 1 1 34 34 LYS HA H 34 4.846 4.846 4.441 0.405 25957 148 1 . 1 1 34 34 LYS CA C 34 49.909 49.909 55.604 -5.695 25957 149 1 . 1 1 34 34 LYS CB C 34 30.146 30.146 33.688 -3.542 25957 150 1 . 1 1 34 34 LYS H H 34 7.652 7.652 7.594 0.058 25957 151 1 . 1 1 35 35 LYS N N 35 116.833 116.833 118.432 -1.599 25957 152 1 . 1 1 35 35 LYS HA H 35 4.512 4.512 4.434 0.078 25957 153 1 . 1 1 35 35 LYS CA C 35 49.738 49.738 55.475 -5.737 25957 154 1 . 1 1 35 35 LYS CB C 35 28.136 28.136 33.702 -5.566 25957 155 1 . 1 1 35 35 LYS H H 35 6.918 6.918 7.653 -0.735 25957 156 1 . 1 1 36 36 CYS N N 36 117.631 117.631 121.741 -4.110 25957 157 1 . 1 1 36 36 CYS HA H 36 4.705 4.705 4.742 -0.037 25957 158 1 . 1 1 36 36 CYS CB C 36 36.081 36.081 28.609 7.473 25957 159 1 . 1 1 36 36 CYS H H 36 8.542 8.542 8.647 -0.105 25957 160 1 . 1 1 37 37 THR N N 37 122.048 122.048 119.611 2.437 25957 161 1 . 1 1 37 37 THR HA H 37 4.217 4.217 4.616 -0.399 25957 162 1 . 1 1 37 37 THR CA C 37 57.923 57.923 60.169 -2.246 25957 163 1 . 1 1 37 37 THR H H 37 10.132 10.132 8.128 2.004 25957 164 1 . 1 1 38 38 LYS N N 38 122.048 122.048 121.376 0.672 25957 165 1 . 1 1 38 38 LYS HA H 38 4.156 4.156 4.085 0.071 25957 166 1 . 1 1 38 38 LYS CA C 38 51.249 51.249 57.469 -6.220 25957 167 1 . 1 1 38 38 LYS CB C 38 29.872 29.872 33.295 -3.423 25957 168 1 . 1 1 38 38 LYS H H 38 7.254 7.254 8.363 -1.109 25957 169 1 . 1 1 39 39 ASP N N 39 124.813 124.813 121.672 3.141 25957 170 1 . 1 1 39 39 ASP HA H 39 4.586 4.586 4.483 0.103 25957 171 1 . 1 1 39 39 ASP CA C 39 50.018 50.018 57.639 -7.621 25957 172 1 . 1 1 39 39 ASP CB C 39 34.753 34.753 40.685 -5.932 25957 173 1 . 1 1 39 39 ASP H H 39 8.785 8.785 8.692 0.093 25957 174 1 . 1 1 40 40 ASN N N 40 114.848 114.848 116.500 -1.652 25957 175 1 . 1 1 40 40 ASN HA H 40 4.270 4.270 4.598 -0.328 25957 176 1 . 1 1 40 40 ASN CA C 40 50.370 50.370 53.659 -3.288 25957 177 1 . 1 1 40 40 ASN CB C 40 31.527 31.527 38.374 -6.847 25957 178 1 . 1 1 40 40 ASN H H 40 9.453 9.453 8.299 1.154 25957 179 1 . 1 1 41 41 ASN N N 41 120.276 120.276 118.896 1.380 25957 180 1 . 1 1 41 41 ASN HA H 41 4.697 4.697 4.516 0.182 25957 181 1 . 1 1 41 41 ASN CB C 41 33.701 33.701 39.024 -5.323 25957 182 1 . 1 1 41 41 ASN H H 41 7.732 7.732 7.950 -0.218 25957 183 1 . 1 1 42 42 LYS N N 42 119.784 119.784 115.800 3.984 25957 184 1 . 1 1 42 42 LYS HA H 42 4.387 4.387 4.439 -0.052 25957 185 1 . 1 1 42 42 LYS CA C 42 51.924 51.924 55.524 -3.599 25957 186 1 . 1 1 42 42 LYS CB C 42 27.959 27.959 33.072 -5.113 25957 187 1 . 1 1 42 42 LYS H H 42 8.513 8.513 8.309 0.204 25957 188 1 . 1 1 43 43 CYS N N 43 114.096 114.096 120.524 -6.428 25957 189 1 . 1 1 43 43 CYS HA H 43 5.368 5.368 4.504 0.864 25957 190 1 . 1 1 43 43 CYS CA C 43 48.413 48.413 59.589 -11.176 25957 191 1 . 1 1 43 43 CYS CB C 43 44.569 44.569 27.407 17.162 25957 192 1 . 1 1 43 43 CYS H H 43 7.547 7.547 8.200 -0.653 25957 193 1 . 1 1 44 44 THR N N 44 113.240 113.240 121.332 -8.092 25957 194 1 . 1 1 44 44 THR HA H 44 5.245 5.245 4.518 0.727 25957 195 1 . 1 1 44 44 THR CA C 44 54.725 54.725 60.593 -5.868 25957 196 1 . 1 1 44 44 THR CB C 44 66.847 66.847 71.801 -4.954 25957 197 1 . 1 1 44 44 THR H H 44 9.020 9.020 8.074 0.946 25957 198 1 . 1 1 45 45 VAL N N 45 121.946 121.946 121.524 0.422 25957 199 1 . 1 1 45 45 VAL HA H 45 4.508 4.508 4.392 0.116 25957 200 1 . 1 1 45 45 VAL CA C 45 55.407 55.407 60.762 -5.355 25957 201 1 . 1 1 45 45 VAL CB C 45 30.598 30.598 32.653 -2.055 25957 202 1 . 1 1 45 45 VAL H H 45 8.583 8.583 8.078 0.505 25957 203 1 . 1 1 46 46 ASP N N 46 126.557 126.557 128.929 -2.372 25957 204 1 . 1 1 46 46 ASP HA H 46 5.266 5.266 4.989 0.277 25957 205 1 . 1 1 46 46 ASP CA C 46 46.780 46.780 53.693 -6.913 25957 206 1 . 1 1 46 46 ASP CB C 46 37.444 37.444 44.558 -7.114 25957 207 1 . 1 1 46 46 ASP H H 46 8.574 8.574 8.294 0.280 25957 208 1 . 1 1 47 47 THR N N 47 114.542 114.542 112.432 2.110 25957 209 1 . 1 1 47 47 THR HA H 47 4.168 4.168 4.493 -0.325 25957 210 1 . 1 1 47 47 THR CA C 47 58.063 58.063 61.569 -3.506 25957 211 1 . 1 1 47 47 THR CB C 47 63.665 63.665 69.576 -5.911 25957 212 1 . 1 1 47 47 THR H H 47 9.049 9.049 8.252 0.797 25957 213 1 . 1 1 48 48 TYR N N 48 123.857 123.857 121.829 2.028 25957 214 1 . 1 1 48 48 TYR HA H 48 4.396 4.396 4.450 -0.054 25957 215 1 . 1 1 48 48 TYR CA C 48 54.940 54.940 59.981 -5.041 25957 216 1 . 1 1 48 48 TYR CB C 48 33.115 33.115 38.507 -5.392 25957 217 1 . 1 1 48 48 TYR H H 48 8.829 8.829 8.023 0.806 25957 218 1 . 1 1 49 49 ASN N N 49 113.728 113.728 116.152 -2.424 25957 219 1 . 1 1 49 49 ASN HA H 49 4.495 4.495 4.715 -0.220 25957 220 1 . 1 1 49 49 ASN CA C 49 46.595 46.595 52.909 -6.314 25957 221 1 . 1 1 49 49 ASN CB C 49 33.140 33.140 38.283 -5.143 25957 222 1 . 1 1 49 49 ASN H H 49 7.480 7.480 8.233 -0.753 25957 223 1 . 1 1 50 50 ASN N N 50 117.093 117.093 114.756 2.337 25957 224 1 . 1 1 50 50 ASN HA H 50 4.216 4.216 4.377 -0.161 25957 225 1 . 1 1 50 50 ASN CA C 50 49.045 49.045 53.983 -4.938 25957 226 1 . 1 1 50 50 ASN CB C 50 31.642 31.642 37.212 -5.570 25957 227 1 . 1 1 50 50 ASN H H 50 7.916 7.916 7.861 0.055 25957 228 1 . 1 1 51 51 ALA N N 51 121.083 121.083 120.435 0.648 25957 229 1 . 1 1 51 51 ALA HA H 51 4.408 4.408 4.459 -0.051 25957 230 1 . 1 1 51 51 ALA CA C 51 47.083 47.083 51.874 -4.791 25957 231 1 . 1 1 51 51 ALA CB C 51 14.993 14.993 20.341 -5.348 25957 232 1 . 1 1 51 51 ALA H H 51 7.796 7.796 7.514 0.282 25957 233 1 . 1 1 52 52 VAL N N 52 125.472 125.472 120.286 5.186 25957 234 1 . 1 1 52 52 VAL HA H 52 4.917 4.917 4.164 0.753 25957 235 1 . 1 1 52 52 VAL CA C 52 55.289 55.289 61.423 -6.134 25957 236 1 . 1 1 52 52 VAL CB C 52 29.747 29.747 33.068 -3.321 25957 237 1 . 1 1 52 52 VAL H H 52 8.247 8.247 7.936 0.311 25957 238 1 . 1 1 53 53 ASP N N 53 125.852 125.852 123.566 2.286 25957 239 1 . 1 1 53 53 ASP HA H 53 4.934 4.934 4.823 0.111 25957 240 1 . 1 1 53 53 ASP CA C 53 47.703 47.703 53.499 -5.796 25957 241 1 . 1 1 53 53 ASP CB C 53 38.218 38.218 39.112 -0.894 25957 242 1 . 1 1 53 53 ASP H H 53 8.613 8.613 8.321 0.292 25957 243 1 . 1 1 54 54 CYS N N 54 122.530 122.530 121.316 1.214 25957 244 1 . 1 1 54 54 CYS HA H 54 4.726 4.726 4.621 0.105 25957 245 1 . 1 1 54 54 CYS CA C 54 50.854 50.854 58.893 -8.039 25957 246 1 . 1 1 54 54 CYS CB C 54 39.154 39.154 29.080 10.074 25957 247 1 . 1 1 54 54 CYS H H 54 8.621 8.621 8.165 0.456 25957 stop_ save_